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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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650564 |
6vk2 ![]() ![]() |
27781 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -0.334 -0.943 -0.000 2 H2 MET 1 2H MET 1 -0.334 0.471 0.816 3 H3 MET 1 3H MET 1 -0.334 0.471 -0.816 4 HA MET 1 HA MET 1 1.804 -0.488 0.911 5 HB2 MET 1 1HB MET 1 1.557 -0.366 -2.118 6 HB3 MET 1 2HB MET 1 3.068 -0.657 -1.269 7 HG2 MET 1 1HG MET 1 2.148 -2.717 -0.299 8 HG3 MET 1 2HG MET 1 0.605 -2.418 -1.103 9 HE1 MET 1 1HE MET 1 4.560 -3.543 -3.212 10 HE2 MET 1 2HE MET 1 4.364 -2.008 -2.331 11 HE3 MET 1 3HE MET 1 4.303 -3.554 -1.451 12 H LYS 2 H LYS 2 2.126 1.392 2.020 13 HA LYS 2 HA LYS 2 2.345 3.974 0.838 14 HB2 LYS 2 1HB LYS 2 2.177 3.549 3.289 15 HB3 LYS 2 2HB LYS 2 3.798 2.870 3.276 16 HG2 LYS 2 1HG LYS 2 4.728 5.036 2.597 17 HG3 LYS 2 2HG LYS 2 3.100 5.728 2.542 18 HD2 LYS 2 1HD LYS 2 2.815 5.250 4.954 19 HD3 LYS 2 2HD LYS 2 4.444 4.560 5.008 20 HE2 LYS 2 1HE LYS 2 5.391 6.739 4.322 21 HE3 LYS 2 2HE LYS 2 3.767 7.430 4.265 22 HZ1 LYS 2 1HZ LYS 2 4.869 7.933 6.320 23 HZ2 LYS 2 2HZ LYS 2 3.556 6.978 6.612 24 HZ3 LYS 2 3HZ LYS 2 5.073 6.334 6.665 25 HA PRO 3 HA PRO 3 5.880 3.307 -1.677 26 HB2 PRO 3 1HB PRO 3 5.812 6.345 -1.645 27 HB3 PRO 3 2HB PRO 3 5.961 5.250 -3.026 28 HG2 PRO 3 1HG PRO 3 3.598 6.389 -2.560 29 HG3 PRO 3 2HG PRO 3 3.651 4.681 -3.007 30 HD2 PRO 3 1HD PRO 3 3.337 5.933 -0.249 31 HD3 PRO 3 2HD PRO 3 2.459 4.523 -0.968 32 H HIS 4 H HIS 4 8.123 3.498 -1.435 33 HA HIS 4 HA HIS 4 9.078 4.360 1.211 34 HB2 HIS 4 1HB HIS 4 10.445 3.077 -1.176 35 HB3 HIS 4 2HB HIS 4 11.309 3.572 0.273 36 HD2 HIS 4 HD2 HIS 4 8.614 0.886 -0.775 37 HE1 HIS 4 HE1 HIS 4 10.300 -0.199 2.986 38 HA PRO 5 HA PRO 5 10.073 8.335 -0.437 39 HB2 PRO 5 1HB PRO 5 10.630 9.559 1.942 40 HB3 PRO 5 2HB PRO 5 8.971 9.186 1.457 41 HG2 PRO 5 1HG PRO 5 10.826 7.606 3.290 42 HG3 PRO 5 2HG PRO 5 9.147 8.072 3.575 43 HD2 PRO 5 1HD PRO 5 9.799 5.593 2.634 44 HD3 PRO 5 2HD PRO 5 8.283 6.436 2.118 45 H TRP 6 H TRP 6 11.982 5.930 0.887 46 HA TRP 6 HA TRP 6 14.420 7.174 1.548 47 HB2 TRP 6 1HB TRP 6 13.888 4.489 0.218 48 HB3 TRP 6 2HB TRP 6 15.463 4.986 0.818 49 HD1 TRP 6 HD1 TRP 6 12.564 3.060 1.881 50 HE1 TRP 6 HE1 TRP 6 12.483 2.763 4.448 51 HE3 TRP 6 HE3 TRP 6 15.987 6.646 3.197 52 HZ2 TRP 6 HZ2 TRP 6 13.723 3.909 6.711 53 HZ3 TRP 6 HZ3 TRP 6 16.493 6.997 5.581 54 HH2 TRP 6 HH2 TRP 6 15.384 5.651 7.316 55 H PHE 7 H PHE 7 16.326 7.594 0.408 56 HA PHE 7 HA PHE 7 17.399 8.746 -1.273 57 HB2 PHE 7 1HB PHE 7 16.164 6.385 -2.597 58 HB3 PHE 7 2HB PHE 7 16.640 7.685 -3.679 59 HD1 PHE 7 HD1 PHE 7 17.853 5.270 -1.167 60 HD2 PHE 7 HD2 PHE 7 18.934 8.168 -4.115 61 HE1 PHE 7 HE1 PHE 7 20.194 4.479 -1.084 62 HE2 PHE 7 HE2 PHE 7 21.276 7.378 -4.036 63 HZ PHE 7 HZ PHE 7 21.906 5.534 -2.518 64 H PHE 8 H PHE 8 15.074 8.134 -3.730 65 HA PHE 8 HA PHE 8 14.038 10.919 -3.425 66 HB2 PHE 8 1HB PHE 8 15.074 9.611 -5.973 67 HB3 PHE 8 2HB PHE 8 14.238 11.155 -5.911 68 HD1 PHE 8 HD1 PHE 8 17.298 9.365 -4.843 69 HD2 PHE 8 HD2 PHE 8 15.367 13.147 -5.316 70 HE1 PHE 8 HE1 PHE 8 19.451 10.512 -4.444 71 HE2 PHE 8 HE2 PHE 8 17.519 14.297 -4.920 72 HZ PHE 8 HZ PHE 8 19.562 12.979 -4.482 73 H GLY 9 H GLY 9 12.958 8.129 -2.919 74 HA2 GLY 9 1HA GLY 9 10.841 7.188 -3.031 75 HA3 GLY 9 2HA GLY 9 10.273 8.759 -3.564 76 H LYS 10 H LYS 10 9.317 8.785 -5.490 77 HA LYS 10 HA LYS 10 9.877 6.541 -7.363 78 HB2 LYS 10 1HB LYS 10 7.561 8.518 -7.333 79 HB3 LYS 10 2HB LYS 10 7.731 7.144 -8.416 80 HG2 LYS 10 1HG LYS 10 7.464 6.956 -5.401 81 HG3 LYS 10 2HG LYS 10 6.157 6.718 -6.568 82 HD2 LYS 10 1HD LYS 10 7.470 4.850 -7.596 83 HD3 LYS 10 2HD LYS 10 8.690 5.054 -6.330 84 HE2 LYS 10 1HE LYS 10 7.006 3.228 -5.889 85 HE3 LYS 10 2HE LYS 10 7.137 4.436 -4.608 86 HZ1 LYS 10 1HZ LYS 10 4.862 3.928 -5.112 87 HZ2 LYS 10 2HZ LYS 10 5.178 5.502 -5.491 88 HZ3 LYS 10 3HZ LYS 10 5.054 4.373 -6.688 89 H ILE 11 H ILE 11 11.784 8.623 -7.156 90 HA ILE 11 HA ILE 11 11.599 10.657 -9.065 91 HB ILE 11 HB ILE 11 13.541 10.121 -7.446 92 HG12 ILE 11 1HG1 ILE 11 14.150 10.968 -10.288 93 HG13 ILE 11 2HG1 ILE 11 13.527 12.006 -9.015 94 HG21 ILE 11 1HG2 ILE 11 15.398 8.843 -8.436 95 HG22 ILE 11 2HG2 ILE 11 13.955 7.822 -8.236 96 HG23 ILE 11 3HG2 ILE 11 14.383 8.451 -9.844 97 HD11 ILE 11 1HD1 ILE 11 15.920 12.318 -9.309 98 HD12 ILE 11 2HD1 ILE 11 15.570 11.640 -7.701 99 HD13 ILE 11 3HD1 ILE 11 16.202 10.591 -8.991 100 HA PRO 12 HA PRO 12 11.525 8.537 -12.960 101 HB2 PRO 12 1HB PRO 12 12.145 10.644 -14.573 102 HB3 PRO 12 2HB PRO 12 10.562 10.515 -13.795 103 HG2 PRO 12 1HG PRO 12 13.012 12.090 -12.875 104 HG3 PRO 12 2HG PRO 12 11.356 12.673 -13.072 105 HD2 PRO 12 1HD PRO 12 12.277 11.904 -10.638 106 HD3 PRO 12 2HD PRO 12 10.572 11.563 -11.137 107 H ARG 13 H ARG 13 13.095 7.595 -14.256 108 HA ARG 13 HA ARG 13 15.820 7.573 -13.555 109 HB2 ARG 13 1HB ARG 13 14.690 5.908 -15.029 110 HB3 ARG 13 2HB ARG 13 14.632 7.107 -16.312 111 HG2 ARG 13 1HG ARG 13 17.303 6.513 -15.128 112 HG3 ARG 13 2HG ARG 13 16.544 5.272 -16.155 113 HD2 ARG 13 1HD ARG 13 16.950 8.150 -16.934 114 HD3 ARG 13 2HD ARG 13 18.019 6.801 -17.383 115 HE ARG 13 HE ARG 13 15.313 7.344 -18.392 116 HH11 ARG 13 1HH1 ARG 13 18.103 5.213 -18.297 117 HH12 ARG 13 2HH1 ARG 13 17.648 4.346 -19.747 118 HH21 ARG 13 1HH2 ARG 13 14.733 6.213 -20.274 119 HH22 ARG 13 2HH2 ARG 13 15.741 4.912 -20.867 120 H ALA 14 H ALA 14 14.056 9.674 -15.802 121 HA ALA 14 HA ALA 14 16.043 11.088 -17.054 122 HB1 ALA 14 1HB ALA 14 14.602 13.090 -16.870 123 HB2 ALA 14 2HB ALA 14 13.660 11.634 -17.267 124 HB3 ALA 14 3HB ALA 14 13.647 12.278 -15.609 125 H LYS 15 H LYS 15 14.867 11.901 -13.760 126 HA LYS 15 HA LYS 15 16.837 14.002 -13.520 127 HB2 LYS 15 1HB LYS 15 14.493 13.774 -12.382 128 HB3 LYS 15 2HB LYS 15 15.334 12.792 -11.190 129 HG2 LYS 15 1HG LYS 15 15.261 14.976 -10.302 130 HG3 LYS 15 2HG LYS 15 16.924 14.748 -10.861 131 HD2 LYS 15 1HD LYS 15 16.298 15.911 -13.004 132 HD3 LYS 15 2HD LYS 15 14.709 16.250 -12.301 133 HE2 LYS 15 1HE LYS 15 15.686 17.588 -10.547 134 HE3 LYS 15 2HE LYS 15 17.319 17.092 -10.997 135 HZ1 LYS 15 1HZ LYS 15 16.799 19.267 -11.825 136 HZ2 LYS 15 2HZ LYS 15 17.027 18.232 -13.089 137 HZ3 LYS 15 3HZ LYS 15 15.501 18.697 -12.667 138 H ALA 16 H ALA 16 16.617 10.658 -12.406 139 HA ALA 16 HA ALA 16 18.629 10.845 -10.400 140 HB1 ALA 16 1HB ALA 16 18.701 8.376 -10.539 141 HB2 ALA 16 2HB ALA 16 17.029 8.987 -10.503 142 HB3 ALA 16 3HB ALA 16 17.744 8.441 -12.037 143 H GLU 17 H GLU 17 18.798 9.998 -13.847 144 HA GLU 17 HA GLU 17 21.649 9.473 -13.771 145 HB2 GLU 17 1HB GLU 17 19.736 10.027 -16.073 146 HB3 GLU 17 2HB GLU 17 21.429 9.605 -16.288 147 HG2 GLU 17 1HG GLU 17 20.864 7.503 -14.881 148 HG3 GLU 17 2HG GLU 17 19.184 7.908 -15.231 149 H GLU 18 H GLU 18 19.611 12.258 -14.611 150 HA GLU 18 HA GLU 18 21.644 13.980 -15.558 151 HB2 GLU 18 1HB GLU 18 19.199 14.462 -15.667 152 HB3 GLU 18 2HB GLU 18 19.176 14.706 -13.926 153 HG2 GLU 18 1HG GLU 18 20.784 16.585 -14.205 154 HG3 GLU 18 2HG GLU 18 20.692 16.366 -15.951 155 H MET 19 H MET 19 20.457 13.458 -12.229 156 HA MET 19 HA MET 19 22.197 15.327 -10.977 157 HB2 MET 19 1HB MET 19 20.734 12.855 -10.049 158 HB3 MET 19 2HB MET 19 21.864 13.658 -8.970 159 HG2 MET 19 1HG MET 19 20.560 15.782 -9.290 160 HG3 MET 19 2HG MET 19 19.376 14.855 -10.214 161 HE1 MET 19 1HE MET 19 17.545 12.716 -7.664 162 HE2 MET 19 2HE MET 19 17.468 13.566 -9.227 163 HE3 MET 19 3HE MET 19 18.676 12.284 -8.969 164 H LEU 20 H LEU 20 22.620 11.870 -11.712 165 HA LEU 20 HA LEU 20 25.117 11.566 -10.383 166 HB2 LEU 20 1HB LEU 20 23.909 10.124 -12.765 167 HB3 LEU 20 2HB LEU 20 25.416 9.627 -11.991 168 HG LEU 20 HG LEU 20 22.720 9.754 -10.595 169 HD11 LEU 20 1HD1 LEU 20 22.773 7.305 -10.757 170 HD12 LEU 20 2HD1 LEU 20 22.742 8.070 -12.363 171 HD13 LEU 20 3HD1 LEU 20 24.263 7.402 -11.725 172 HD21 LEU 20 1HD2 LEU 20 23.907 8.473 -8.846 173 HD22 LEU 20 2HD2 LEU 20 25.415 8.585 -9.787 174 HD23 LEU 20 3HD2 LEU 20 24.675 10.057 -9.112 175 H SER 21 H SER 21 24.281 12.700 -13.627 176 HA SER 21 HA SER 21 27.032 12.724 -14.557 177 HB2 SER 21 1HB SER 21 26.158 13.801 -16.519 178 HB3 SER 21 2HB SER 21 25.040 12.529 -16.052 179 HG SER 21 HG SER 21 24.082 14.395 -14.774 180 H LYS 22 H LYS 22 25.315 14.660 -12.404 181 HA LYS 22 HA LYS 22 27.161 16.947 -12.865 182 HB2 LYS 22 1HB LYS 22 24.748 16.631 -11.039 183 HB3 LYS 22 2HB LYS 22 25.787 18.050 -11.055 184 HG2 LYS 22 1HG LYS 22 25.196 18.468 -13.411 185 HG3 LYS 22 2HG LYS 22 24.156 17.036 -13.402 186 HD2 LYS 22 1HD LYS 22 22.775 18.037 -11.619 187 HD3 LYS 22 2HD LYS 22 23.824 19.461 -11.597 188 HE2 LYS 22 1HE LYS 22 23.228 19.964 -13.928 189 HE3 LYS 22 2HE LYS 22 22.227 18.512 -14.004 190 HZ1 LYS 22 1HZ LYS 22 20.920 20.462 -13.584 191 HZ2 LYS 22 2HZ LYS 22 20.839 19.447 -12.285 192 HZ3 LYS 22 3HZ LYS 22 21.773 20.805 -12.215 193 H GLN 23 H GLN 23 26.503 14.270 -10.717 194 HA GLN 23 HA GLN 23 28.313 15.087 -8.628 195 HB2 GLN 23 1HB GLN 23 27.343 12.329 -9.478 196 HB3 GLN 23 2HB GLN 23 28.286 12.643 -8.028 197 HG2 GLN 23 1HG GLN 23 25.580 13.864 -8.605 198 HG3 GLN 23 2HG GLN 23 25.867 12.412 -7.605 199 HE21 GLN 23 1HE2 GLN 23 25.812 15.893 -5.810 200 HE22 GLN 23 2HE2 GLN 23 24.982 15.441 -7.262 201 H ARG 24 H ARG 24 28.678 13.225 -11.624 202 HA ARG 24 HA ARG 24 30.554 12.519 -12.753 203 HB2 ARG 24 1HB ARG 24 32.170 14.487 -11.122 204 HB3 ARG 24 2HB ARG 24 32.475 13.915 -12.755 205 HG2 ARG 24 1HG ARG 24 30.224 15.749 -11.896 206 HG3 ARG 24 2HG ARG 24 31.694 16.202 -12.793 207 HD2 ARG 24 1HD ARG 24 29.599 14.263 -13.746 208 HD3 ARG 24 2HD ARG 24 29.726 15.972 -14.225 209 HE ARG 24 HE ARG 24 32.197 14.624 -14.681 210 HH11 ARG 24 1HH1 ARG 24 28.933 14.915 -15.945 211 HH12 ARG 24 2HH1 ARG 24 29.397 14.513 -17.583 212 HH21 ARG 24 1HH2 ARG 24 32.788 14.104 -16.811 213 HH22 ARG 24 2HH2 ARG 24 31.579 14.054 -18.074 214 H HIS 25 H HIS 25 29.813 11.343 -10.122 215 HA HIS 25 HA HIS 25 32.491 10.466 -9.127 216 HB2 HIS 25 1HB HIS 25 30.973 11.410 -7.429 217 HB3 HIS 25 2HB HIS 25 29.738 10.235 -7.859 218 HD2 HIS 25 HD2 HIS 25 29.889 9.007 -5.195 219 HE1 HIS 25 HE1 HIS 25 33.843 7.584 -5.819 220 H ASP 26 H ASP 26 33.068 8.923 -10.594 221 HA ASP 26 HA ASP 26 31.461 6.825 -11.567 222 HB2 ASP 26 1HB ASP 26 33.688 7.217 -12.455 223 HB3 ASP 26 2HB ASP 26 34.427 6.886 -10.895 224 H GLY 27 H GLY 27 30.644 5.005 -10.775 225 HA2 GLY 27 1HA GLY 27 30.679 3.094 -9.294 226 HA3 GLY 27 2HA GLY 27 31.601 4.024 -8.129 227 H ALA 28 H ALA 28 29.734 6.391 -8.718 228 HA ALA 28 HA ALA 28 27.984 5.943 -6.496 229 HB1 ALA 28 1HB ALA 28 27.011 8.134 -7.107 230 HB2 ALA 28 2HB ALA 28 28.790 8.181 -7.102 231 HB3 ALA 28 3HB ALA 28 27.907 8.094 -8.643 232 H PHE 29 H PHE 29 25.619 6.207 -6.537 233 HA PHE 29 HA PHE 29 24.276 5.278 -8.982 234 HB2 PHE 29 1HB PHE 29 23.291 3.290 -7.897 235 HB3 PHE 29 2HB PHE 29 25.038 3.155 -8.025 236 HD1 PHE 29 HD1 PHE 29 22.244 3.818 -5.699 237 HD2 PHE 29 HD2 PHE 29 26.415 2.984 -6.097 238 HE1 PHE 29 HE1 PHE 29 22.387 3.378 -3.270 239 HE2 PHE 29 HE2 PHE 29 26.561 2.541 -3.670 240 HZ PHE 29 HZ PHE 29 24.545 2.739 -2.256 241 H LEU 30 H LEU 30 21.935 5.258 -8.783 242 HA LEU 30 HA LEU 30 20.925 6.551 -6.288 243 HB2 LEU 30 1HB LEU 30 20.973 8.006 -8.441 244 HB3 LEU 30 2HB LEU 30 19.651 6.976 -8.997 245 HG LEU 30 HG LEU 30 19.342 8.238 -6.306 246 HD11 LEU 30 1HD1 LEU 30 18.595 10.347 -7.317 247 HD12 LEU 30 2HD1 LEU 30 20.323 10.048 -7.619 248 HD13 LEU 30 3HD1 LEU 30 19.132 9.772 -8.913 249 HD21 LEU 30 1HD2 LEU 30 17.014 8.407 -7.120 250 HD22 LEU 30 2HD2 LEU 30 17.527 7.805 -8.715 251 HD23 LEU 30 3HD2 LEU 30 17.632 6.746 -7.288 252 H ILE 31 H ILE 31 19.561 5.322 -5.219 253 HA ILE 31 HA ILE 31 18.211 3.108 -6.672 254 HB ILE 31 HB ILE 31 18.756 3.591 -3.719 255 HG12 ILE 31 1HG1 ILE 31 19.568 1.258 -5.453 256 HG13 ILE 31 2HG1 ILE 31 20.555 2.702 -5.293 257 HG21 ILE 31 1HG2 ILE 31 17.617 1.447 -3.308 258 HG22 ILE 31 2HG2 ILE 31 16.493 2.649 -3.984 259 HG23 ILE 31 3HG2 ILE 31 17.149 1.363 -5.023 260 HD11 ILE 31 1HD1 ILE 31 21.302 0.956 -3.775 261 HD12 ILE 31 2HD1 ILE 31 20.688 2.358 -2.864 262 HD13 ILE 31 3HD1 ILE 31 19.689 0.894 -3.026 263 H ARG 32 H ARG 32 16.074 2.990 -6.939 264 HA ARG 32 HA ARG 32 14.337 4.935 -5.540 265 HB2 ARG 32 1HB ARG 32 13.492 5.941 -7.524 266 HB3 ARG 32 2HB ARG 32 15.243 6.037 -7.630 267 HG2 ARG 32 1HG ARG 32 15.127 3.922 -9.065 268 HG3 ARG 32 2HG ARG 32 13.375 4.228 -9.153 269 HD2 ARG 32 1HD ARG 32 13.823 6.451 -10.043 270 HD3 ARG 32 2HD ARG 32 15.568 6.112 -9.986 271 HE ARG 32 HE ARG 32 13.593 4.997 -11.851 272 HH11 ARG 32 1HH1 ARG 32 16.888 4.994 -10.631 273 HH12 ARG 32 2HH1 ARG 32 17.543 4.194 -12.042 274 HH21 ARG 32 1HH2 ARG 32 14.455 3.958 -13.677 275 HH22 ARG 32 2HH2 ARG 32 16.167 3.607 -13.767 276 H GLU 33 H GLU 33 12.100 4.486 -5.707 277 HA GLU 33 HA GLU 33 11.583 1.618 -6.232 278 HB2 GLU 33 1HB GLU 33 10.902 2.706 -4.055 279 HB3 GLU 33 2HB GLU 33 9.764 3.698 -4.956 280 HG2 GLU 33 1HG GLU 33 8.600 1.654 -5.715 281 HG3 GLU 33 2HG GLU 33 9.726 0.678 -4.775 282 H SER 34 H SER 34 10.082 0.837 -7.639 283 HA SER 34 HA SER 34 9.356 2.636 -9.839 284 HB2 SER 34 1HB SER 34 10.148 0.427 -10.405 285 HB3 SER 34 2HB SER 34 8.956 -0.331 -9.360 286 HG SER 34 HG SER 34 8.686 0.116 -11.821 287 H GLU 35 H GLU 35 7.374 3.386 -10.363 288 HA GLU 35 HA GLU 35 5.141 2.928 -8.518 289 HB2 GLU 35 1HB GLU 35 5.361 4.470 -11.134 290 HB3 GLU 35 2HB GLU 35 3.891 4.374 -10.175 291 HG2 GLU 35 1HG GLU 35 5.155 5.383 -8.257 292 HG3 GLU 35 2HG GLU 35 6.524 5.605 -9.344 293 H SER 36 H SER 36 6.291 1.704 -11.582 294 HA SER 36 HA SER 36 3.751 0.470 -12.307 295 HB2 SER 36 1HB SER 36 4.974 -0.501 -14.144 296 HB3 SER 36 2HB SER 36 5.460 1.179 -13.976 297 HG SER 36 HG SER 36 7.109 0.086 -12.484 298 H ALA 37 H ALA 37 6.529 -0.387 -10.394 299 HA ALA 37 HA ALA 37 5.086 -2.877 -9.675 300 HB1 ALA 37 1HB ALA 37 7.218 -4.129 -9.575 301 HB2 ALA 37 2HB ALA 37 6.859 -3.569 -11.225 302 HB3 ALA 37 3HB ALA 37 8.069 -2.716 -10.240 303 HA PRO 38 HA PRO 38 6.093 -0.149 -6.108 304 HB2 PRO 38 1HB PRO 38 3.614 -1.680 -5.219 305 HB3 PRO 38 2HB PRO 38 4.041 0.009 -4.918 306 HG2 PRO 38 1HG PRO 38 2.262 -0.510 -6.822 307 HG3 PRO 38 2HG PRO 38 3.521 0.685 -7.143 308 HD2 PRO 38 1HD PRO 38 3.362 -2.220 -8.031 309 HD3 PRO 38 2HD PRO 38 3.899 -0.768 -8.968 310 H GLY 39 H GLY 39 7.278 -0.774 -4.353 311 HA2 GLY 39 1HA GLY 39 7.882 -2.250 -2.559 312 HA3 GLY 39 2HA GLY 39 7.127 -3.587 -3.405 313 H ASP 40 H ASP 40 8.477 -2.550 -5.969 314 HA ASP 40 HA ASP 40 11.125 -3.807 -5.430 315 HB2 ASP 40 1HB ASP 40 9.491 -3.507 -7.976 316 HB3 ASP 40 2HB ASP 40 11.170 -4.030 -7.979 317 H PHE 41 H PHE 41 12.997 -2.977 -6.578 318 HA PHE 41 HA PHE 41 12.823 -0.006 -6.857 319 HB2 PHE 41 1HB PHE 41 14.808 -1.681 -5.288 320 HB3 PHE 41 2HB PHE 41 15.186 -0.047 -5.810 321 HD1 PHE 41 HD1 PHE 41 12.775 -2.044 -3.809 322 HD2 PHE 41 HD2 PHE 41 14.422 1.817 -4.608 323 HE1 PHE 41 HE1 PHE 41 11.629 -1.144 -1.812 324 HE2 PHE 41 HE2 PHE 41 13.280 2.720 -2.609 325 HZ PHE 41 HZ PHE 41 11.882 1.238 -1.212 326 H SER 42 H SER 42 14.428 0.990 -8.188 327 HA SER 42 HA SER 42 16.059 -0.927 -9.802 328 HB2 SER 42 1HB SER 42 15.161 1.903 -10.432 329 HB3 SER 42 2HB SER 42 16.286 0.979 -11.414 330 HG SER 42 HG SER 42 14.659 0.117 -12.282 331 H LEU 43 H LEU 43 18.247 -0.466 -10.179 332 HA LEU 43 HA LEU 43 19.407 1.620 -8.380 333 HB2 LEU 43 1HB LEU 43 19.769 -0.915 -7.822 334 HB3 LEU 43 2HB LEU 43 20.903 -0.876 -9.176 335 HG LEU 43 HG LEU 43 21.190 1.157 -6.978 336 HD11 LEU 43 1HD1 LEU 43 22.578 -0.427 -5.718 337 HD12 LEU 43 2HD1 LEU 43 20.884 -0.966 -5.812 338 HD13 LEU 43 3HD1 LEU 43 22.118 -1.726 -6.845 339 HD21 LEU 43 1HD2 LEU 43 23.567 0.898 -7.606 340 HD22 LEU 43 2HD2 LEU 43 23.123 -0.382 -8.761 341 HD23 LEU 43 3HD2 LEU 43 22.568 1.288 -9.027 342 H SER 44 H SER 44 20.006 3.252 -9.629 343 HA SER 44 HA SER 44 21.124 2.645 -12.319 344 HB2 SER 44 1HB SER 44 19.907 5.114 -11.070 345 HB3 SER 44 2HB SER 44 20.845 5.204 -12.552 346 HG SER 44 HG SER 44 19.406 4.044 -13.584 347 H VAL 45 H VAL 45 23.256 2.511 -12.464 348 HA VAL 45 HA VAL 45 24.827 3.752 -10.258 349 HB VAL 45 HB VAL 45 24.948 1.294 -10.413 350 HG11 VAL 45 1HG1 VAL 45 25.947 0.200 -12.360 351 HG12 VAL 45 2HG1 VAL 45 24.431 1.038 -12.771 352 HG13 VAL 45 3HG1 VAL 45 25.997 1.762 -13.211 353 HG21 VAL 45 1HG2 VAL 45 27.409 1.082 -10.560 354 HG22 VAL 45 2HG2 VAL 45 27.498 2.674 -11.351 355 HG23 VAL 45 3HG2 VAL 45 26.942 2.547 -9.665 356 H LYS 46 H LYS 46 26.140 5.384 -10.666 357 HA LYS 46 HA LYS 46 26.667 6.191 -13.433 358 HB2 LYS 46 1HB LYS 46 26.214 7.938 -11.812 359 HB3 LYS 46 2HB LYS 46 27.486 7.357 -10.747 360 HG2 LYS 46 1HG LYS 46 28.300 9.307 -11.846 361 HG3 LYS 46 2HG LYS 46 29.155 7.924 -12.542 362 HD2 LYS 46 1HD LYS 46 27.985 8.043 -14.564 363 HD3 LYS 46 2HD LYS 46 26.628 8.922 -13.845 364 HE2 LYS 46 1HE LYS 46 28.030 10.365 -15.299 365 HE3 LYS 46 2HE LYS 46 27.981 10.937 -13.629 366 HZ1 LYS 46 1HZ LYS 46 30.195 10.988 -14.514 367 HZ2 LYS 46 2HZ LYS 46 30.117 9.904 -13.274 368 HZ3 LYS 46 3HZ LYS 46 30.164 9.371 -14.834 369 H PHE 47 H PHE 47 27.887 4.454 -14.235 370 HA PHE 47 HA PHE 47 30.686 4.385 -13.212 371 HB2 PHE 47 1HB PHE 47 30.948 2.305 -14.247 372 HB3 PHE 47 2HB PHE 47 29.288 2.238 -13.677 373 HD1 PHE 47 HD1 PHE 47 31.471 2.212 -16.558 374 HD2 PHE 47 HD2 PHE 47 27.411 2.593 -15.285 375 HE1 PHE 47 HE1 PHE 47 30.705 1.715 -18.856 376 HE2 PHE 47 HE2 PHE 47 26.641 2.093 -17.580 377 HZ PHE 47 HZ PHE 47 28.290 1.655 -19.367 378 H GLY 48 H GLY 48 32.309 5.288 -14.287 379 HA2 GLY 48 1HA GLY 48 33.372 6.650 -15.832 380 HA3 GLY 48 2HA GLY 48 32.485 5.777 -17.068 381 H ASN 49 H ASN 49 31.452 7.136 -18.377 382 HA ASN 49 HA ASN 49 30.273 9.612 -17.191 383 HB2 ASN 49 1HB ASN 49 31.304 9.013 -19.977 384 HB3 ASN 49 2HB ASN 49 30.326 10.426 -19.606 385 HD21 ASN 49 1HD2 ASN 49 34.162 10.813 -19.259 386 HD22 ASN 49 2HD2 ASN 49 33.269 9.801 -20.345 387 H ASP 50 H ASP 50 29.174 6.782 -17.458 388 HA ASP 50 HA ASP 50 26.579 7.683 -18.609 389 HB2 ASP 50 1HB ASP 50 28.018 6.061 -20.113 390 HB3 ASP 50 2HB ASP 50 27.493 4.828 -18.974 391 H VAL 51 H VAL 51 24.794 6.079 -17.995 392 HA VAL 51 HA VAL 51 25.313 4.992 -15.260 393 HB VAL 51 HB VAL 51 22.738 6.314 -16.216 394 HG11 VAL 51 1HG1 VAL 51 22.070 6.166 -13.867 395 HG12 VAL 51 2HG1 VAL 51 22.367 4.562 -14.577 396 HG13 VAL 51 3HG1 VAL 51 23.576 5.294 -13.495 397 HG21 VAL 51 1HG2 VAL 51 23.354 8.136 -14.659 398 HG22 VAL 51 2HG2 VAL 51 24.899 7.321 -14.319 399 HG23 VAL 51 3HG2 VAL 51 24.566 7.955 -15.949 400 H GLN 52 H GLN 52 24.728 2.948 -14.923 401 HA GLN 52 HA GLN 52 23.069 1.630 -17.026 402 HB2 GLN 52 1HB GLN 52 25.476 0.818 -16.528 403 HB3 GLN 52 2HB GLN 52 24.834 0.212 -15.008 404 HG2 GLN 52 1HG GLN 52 23.396 -1.322 -16.102 405 HG3 GLN 52 2HG GLN 52 23.678 -0.554 -17.690 406 HE21 GLN 52 1HE2 GLN 52 25.709 -3.735 -17.151 407 HE22 GLN 52 2HE2 GLN 52 24.048 -3.361 -16.827 408 H HIS 53 H HIS 53 21.366 0.302 -16.480 409 HA HIS 53 HA HIS 53 20.230 0.935 -13.788 410 HB2 HIS 53 1HB HIS 53 18.826 1.751 -15.558 411 HB3 HIS 53 2HB HIS 53 18.936 0.235 -16.440 412 HD2 HIS 53 HD2 HIS 53 16.078 1.769 -14.802 413 HE1 HIS 53 HE1 HIS 53 16.084 -2.160 -13.186 414 H PHE 54 H PHE 54 20.368 -0.587 -12.322 415 HA PHE 54 HA PHE 54 20.121 -3.424 -13.203 416 HB2 PHE 54 1HB PHE 54 20.886 -2.385 -10.450 417 HB3 PHE 54 2HB PHE 54 21.019 -4.035 -11.038 418 HD1 PHE 54 HD1 PHE 54 22.043 -3.027 -13.866 419 HD2 PHE 54 HD2 PHE 54 23.228 -2.340 -9.819 420 HE1 PHE 54 HE1 PHE 54 24.354 -2.574 -14.620 421 HE2 PHE 54 HE2 PHE 54 25.538 -1.884 -10.570 422 HZ PHE 54 HZ PHE 54 26.101 -2.003 -12.972 423 H LYS 55 H LYS 55 18.630 -4.821 -12.257 424 HA LYS 55 HA LYS 55 16.241 -3.450 -11.159 425 HB2 LYS 55 1HB LYS 55 16.488 -6.372 -11.944 426 HB3 LYS 55 2HB LYS 55 15.016 -5.438 -11.723 427 HG2 LYS 55 1HG LYS 55 15.506 -4.117 -13.716 428 HG3 LYS 55 2HG LYS 55 17.052 -4.953 -13.917 429 HD2 LYS 55 1HD LYS 55 15.852 -7.102 -14.193 430 HD3 LYS 55 2HD LYS 55 14.307 -6.261 -14.000 431 HE2 LYS 55 1HE LYS 55 14.792 -4.899 -16.003 432 HE3 LYS 55 2HE LYS 55 16.343 -5.720 -16.194 433 HZ1 LYS 55 1HZ LYS 55 14.668 -6.660 -17.608 434 HZ2 LYS 55 2HZ LYS 55 15.150 -7.780 -16.496 435 HZ3 LYS 55 3HZ LYS 55 13.700 -7.013 -16.319 436 H VAL 56 H VAL 56 15.903 -3.346 -9.076 437 HA VAL 56 HA VAL 56 17.232 -5.356 -7.324 438 HB VAL 56 HB VAL 56 16.016 -2.635 -6.678 439 HG11 VAL 56 1HG1 VAL 56 16.962 -2.947 -4.443 440 HG12 VAL 56 2HG1 VAL 56 15.729 -4.173 -4.821 441 HG13 VAL 56 3HG1 VAL 56 17.456 -4.599 -4.883 442 HG21 VAL 56 1HG2 VAL 56 18.368 -1.995 -6.252 443 HG22 VAL 56 2HG2 VAL 56 18.899 -3.618 -6.753 444 HG23 VAL 56 3HG2 VAL 56 18.140 -2.524 -7.935 445 H LEU 57 H LEU 57 16.005 -7.010 -6.643 446 HA LEU 57 HA LEU 57 13.064 -6.651 -7.040 447 HB2 LEU 57 1HB LEU 57 14.664 -9.195 -7.455 448 HB3 LEU 57 2HB LEU 57 12.979 -8.903 -7.895 449 HG LEU 57 HG LEU 57 15.359 -7.504 -9.166 450 HD11 LEU 57 1HD1 LEU 57 14.918 -8.976 -11.080 451 HD12 LEU 57 2HD1 LEU 57 15.373 -9.901 -9.630 452 HD13 LEU 57 3HD1 LEU 57 13.669 -9.825 -10.140 453 HD21 LEU 57 1HD2 LEU 57 13.670 -6.812 -10.833 454 HD22 LEU 57 2HD2 LEU 57 12.402 -7.631 -9.889 455 HD23 LEU 57 3HD2 LEU 57 13.246 -6.219 -9.209 456 H ARG 58 H ARG 58 11.669 -7.384 -5.549 457 HA ARG 58 HA ARG 58 12.798 -8.189 -2.962 458 HB2 ARG 58 1HB ARG 58 10.880 -6.539 -3.272 459 HB3 ARG 58 2HB ARG 58 9.872 -7.910 -3.710 460 HG2 ARG 58 1HG ARG 58 10.118 -8.885 -1.527 461 HG3 ARG 58 2HG ARG 58 11.335 -7.669 -1.071 462 HD2 ARG 58 1HD ARG 58 9.276 -7.048 -0.094 463 HD3 ARG 58 2HD ARG 58 9.601 -5.926 -1.435 464 HE ARG 58 HE ARG 58 8.061 -7.953 -2.526 465 HH11 ARG 58 1HH1 ARG 58 7.715 -5.617 0.076 466 HH12 ARG 58 2HH1 ARG 58 5.977 -5.507 -0.086 467 HH21 ARG 58 1HH2 ARG 58 5.804 -7.801 -2.726 468 HH22 ARG 58 2HH2 ARG 58 4.894 -6.742 -1.671 469 H ASP 59 H ASP 59 12.811 -10.158 -2.092 470 HA ASP 59 HA ASP 59 11.689 -12.376 -3.711 471 HB2 ASP 59 1HB ASP 59 13.088 -13.840 -2.364 472 HB3 ASP 59 2HB ASP 59 14.063 -12.510 -2.973 473 H GLY 60 H GLY 60 11.228 -14.331 -1.936 474 HA2 GLY 60 1HA GLY 60 8.548 -13.501 -1.132 475 HA3 GLY 60 2HA GLY 60 9.201 -15.127 -1.077 476 H ALA 61 H ALA 61 11.509 -13.299 0.372 477 HA ALA 61 HA ALA 61 10.547 -14.055 3.055 478 HB1 ALA 61 1HB ALA 61 12.842 -13.481 3.777 479 HB2 ALA 61 2HB ALA 61 12.847 -14.640 2.427 480 HB3 ALA 61 3HB ALA 61 13.214 -12.925 2.129 481 H GLY 62 H GLY 62 10.246 -11.399 1.083 482 HA2 GLY 62 1HA GLY 62 9.635 -9.178 1.617 483 HA3 GLY 62 2HA GLY 62 9.989 -9.485 3.307 484 H LYS 63 H LYS 63 12.479 -10.661 1.345 485 HA LYS 63 HA LYS 63 14.154 -8.309 2.061 486 HB2 LYS 63 1HB LYS 63 14.789 -11.210 1.455 487 HB3 LYS 63 2HB LYS 63 16.041 -9.976 1.438 488 HG2 LYS 63 1HG LYS 63 15.409 -9.403 3.808 489 HG3 LYS 63 2HG LYS 63 14.322 -10.799 3.791 490 HD2 LYS 63 1HD LYS 63 17.245 -11.069 3.052 491 HD3 LYS 63 2HD LYS 63 16.708 -11.125 4.737 492 HE2 LYS 63 1HE LYS 63 15.123 -12.973 4.109 493 HE3 LYS 63 2HE LYS 63 15.824 -12.968 2.488 494 HZ1 LYS 63 1HZ LYS 63 16.823 -14.630 3.876 495 HZ2 LYS 63 2HZ LYS 63 17.949 -13.496 3.468 496 HZ3 LYS 63 3HZ LYS 63 17.295 -13.501 4.982 497 H TYR 64 H TYR 64 16.040 -7.940 0.509 498 HA TYR 64 HA TYR 64 14.906 -7.867 -2.257 499 HB2 TYR 64 1HB TYR 64 16.532 -5.794 -0.742 500 HB3 TYR 64 2HB TYR 64 16.332 -5.750 -2.488 501 HD1 TYR 64 HD1 TYR 64 14.617 -5.431 0.757 502 HD2 TYR 64 HD2 TYR 64 14.248 -5.113 -3.505 503 HE1 TYR 64 HE1 TYR 64 12.479 -4.223 1.033 504 HE2 TYR 64 HE2 TYR 64 12.109 -3.905 -3.230 505 HH TYR 64 HH TYR 64 10.474 -3.373 -1.751 506 H PHE 65 H PHE 65 16.213 -8.275 -3.985 507 HA PHE 65 HA PHE 65 19.106 -8.668 -3.471 508 HB2 PHE 65 1HB PHE 65 19.175 -10.810 -4.594 509 HB3 PHE 65 2HB PHE 65 18.021 -10.914 -3.274 510 HD1 PHE 65 HD1 PHE 65 18.493 -11.049 -6.870 511 HD2 PHE 65 HD2 PHE 65 15.590 -10.932 -3.738 512 HE1 PHE 65 HE1 PHE 65 16.763 -11.845 -8.446 513 HE2 PHE 65 HE2 PHE 65 13.857 -11.730 -5.311 514 HZ PHE 65 HZ PHE 65 14.445 -12.185 -7.666 515 H LEU 66 H LEU 66 20.332 -8.946 -5.539 516 HA LEU 66 HA LEU 66 18.975 -7.641 -7.839 517 HB2 LEU 66 1HB LEU 66 20.220 -5.952 -6.380 518 HB3 LEU 66 2HB LEU 66 21.709 -6.775 -6.855 519 HG LEU 66 HG LEU 66 19.774 -5.413 -8.763 520 HD11 LEU 66 1HD1 LEU 66 21.545 -3.725 -8.962 521 HD12 LEU 66 2HD1 LEU 66 20.919 -3.829 -7.299 522 HD13 LEU 66 3HD1 LEU 66 22.487 -4.565 -7.708 523 HD21 LEU 66 1HD2 LEU 66 21.584 -5.778 -10.406 524 HD22 LEU 66 2HD2 LEU 66 22.529 -6.648 -9.173 525 HD23 LEU 66 3HD2 LEU 66 20.989 -7.324 -9.755 526 H TRP 67 H TRP 67 22.143 -8.926 -6.755 527 HA TRP 67 HA TRP 67 22.547 -10.054 -9.463 528 HB2 TRP 67 1HB TRP 67 24.448 -10.088 -7.089 529 HB3 TRP 67 2HB TRP 67 24.840 -10.445 -8.765 530 HD1 TRP 67 HD1 TRP 67 24.724 -7.627 -6.319 531 HE1 TRP 67 HE1 TRP 67 25.256 -5.383 -7.488 532 HE3 TRP 67 HE3 TRP 67 24.375 -9.177 -11.196 533 HZ2 TRP 67 HZ2 TRP 67 25.495 -4.425 -10.133 534 HZ3 TRP 67 HZ3 TRP 67 24.765 -7.545 -12.999 535 HH2 TRP 67 HH2 TRP 67 25.320 -5.205 -12.482 536 H VAL 68 H VAL 68 23.606 -12.292 -9.526 537 HA VAL 68 HA VAL 68 22.249 -14.312 -8.044 538 HB VAL 68 HB VAL 68 24.079 -15.800 -8.787 539 HG11 VAL 68 1HG1 VAL 68 23.832 -15.470 -11.199 540 HG12 VAL 68 2HG1 VAL 68 22.286 -15.276 -10.338 541 HG13 VAL 68 3HG1 VAL 68 23.174 -13.843 -10.909 542 HG21 VAL 68 1HG2 VAL 68 25.963 -14.857 -10.086 543 HG22 VAL 68 2HG2 VAL 68 25.367 -13.213 -9.754 544 HG23 VAL 68 3HG2 VAL 68 25.955 -14.234 -8.419 545 H VAL 69 H VAL 69 25.007 -12.277 -7.276 546 HA VAL 69 HA VAL 69 25.510 -13.637 -4.741 547 HB VAL 69 HB VAL 69 26.275 -10.869 -5.761 548 HG11 VAL 69 1HG1 VAL 69 27.833 -10.784 -3.876 549 HG12 VAL 69 2HG1 VAL 69 26.138 -10.855 -3.337 550 HG13 VAL 69 3HG1 VAL 69 27.162 -12.309 -3.254 551 HG21 VAL 69 1HG2 VAL 69 28.516 -11.893 -5.988 552 HG22 VAL 69 2HG2 VAL 69 27.858 -13.451 -5.434 553 HG23 VAL 69 3HG2 VAL 69 27.313 -12.752 -6.977 554 H LYS 70 H LYS 70 24.408 -13.444 -2.914 555 HA LYS 70 HA LYS 70 22.482 -11.180 -2.669 556 HB2 LYS 70 1HB LYS 70 21.547 -13.527 -3.492 557 HB3 LYS 70 2HB LYS 70 21.680 -13.948 -1.790 558 HG2 LYS 70 1HG LYS 70 20.294 -11.387 -2.448 559 HG3 LYS 70 2HG LYS 70 19.469 -12.899 -2.853 560 HD2 LYS 70 1HD LYS 70 19.552 -13.655 -0.570 561 HD3 LYS 70 2HD LYS 70 20.647 -12.342 -0.111 562 HE2 LYS 70 1HE LYS 70 18.587 -11.561 0.652 563 HE3 LYS 70 2HE LYS 70 18.727 -10.768 -0.919 564 HZ1 LYS 70 1HZ LYS 70 16.570 -11.736 -0.608 565 HZ2 LYS 70 2HZ LYS 70 17.347 -12.497 -1.849 566 HZ3 LYS 70 3HZ LYS 70 17.215 -13.237 -0.380 567 H PHE 71 H PHE 71 22.545 -10.180 -0.794 568 HA PHE 71 HA PHE 71 23.653 -11.682 1.543 569 HB2 PHE 71 1HB PHE 71 23.826 -8.737 0.820 570 HB3 PHE 71 2HB PHE 71 24.160 -9.330 2.439 571 HD1 PHE 71 HD1 PHE 71 25.260 -9.447 -1.086 572 HD2 PHE 71 HD2 PHE 71 26.203 -10.430 2.964 573 HE1 PHE 71 HE1 PHE 71 27.589 -9.942 -1.750 574 HE2 PHE 71 HE2 PHE 71 28.533 -10.924 2.303 575 HZ PHE 71 HZ PHE 71 29.226 -10.681 -0.055 576 H ASN 72 H ASN 72 22.957 -10.141 3.611 577 HA ASN 72 HA ASN 72 20.290 -11.087 4.010 578 HB2 ASN 72 1HB ASN 72 22.006 -9.183 5.633 579 HB3 ASN 72 2HB ASN 72 20.445 -9.790 6.169 580 HD21 ASN 72 1HD2 ASN 72 23.780 -12.033 6.497 581 HD22 ASN 72 2HD2 ASN 72 23.785 -10.425 5.853 582 H SER 73 H SER 73 21.529 -8.091 2.799 583 HA SER 73 HA SER 73 18.785 -7.164 2.329 584 HB2 SER 73 1HB SER 73 19.012 -5.056 3.456 585 HB3 SER 73 2HB SER 73 19.345 -6.330 4.619 586 HG SER 73 HG SER 73 21.238 -5.600 4.843 587 H LEU 74 H LEU 74 18.656 -5.401 0.834 588 HA LEU 74 HA LEU 74 20.516 -5.196 -1.230 589 HB2 LEU 74 1HB LEU 74 18.293 -4.210 -1.362 590 HB3 LEU 74 2HB LEU 74 18.687 -3.058 -0.083 591 HG LEU 74 HG LEU 74 20.406 -2.042 -1.609 592 HD11 LEU 74 1HD1 LEU 74 20.297 -2.609 -3.995 593 HD12 LEU 74 2HD1 LEU 74 20.804 -4.002 -3.011 594 HD13 LEU 74 3HD1 LEU 74 19.139 -3.910 -3.633 595 HD21 LEU 74 1HD2 LEU 74 18.728 -0.906 -3.025 596 HD22 LEU 74 2HD2 LEU 74 17.546 -2.184 -2.650 597 HD23 LEU 74 3HD2 LEU 74 18.131 -1.106 -1.360 598 H ASN 75 H ASN 75 20.441 -3.435 1.854 599 HA ASN 75 HA ASN 75 22.430 -1.512 1.199 600 HB2 ASN 75 1HB ASN 75 21.525 -2.687 3.839 601 HB3 ASN 75 2HB ASN 75 22.743 -1.423 3.736 602 HD21 ASN 75 1HD2 ASN 75 19.374 0.076 4.253 603 HD22 ASN 75 2HD2 ASN 75 20.317 -1.122 5.075 604 H GLU 76 H GLU 76 22.686 -4.815 2.413 605 HA GLU 76 HA GLU 76 25.491 -4.586 3.089 606 HB2 GLU 76 1HB GLU 76 23.606 -6.939 2.730 607 HB3 GLU 76 2HB GLU 76 25.312 -7.161 3.089 608 HG2 GLU 76 1HG GLU 76 24.937 -5.670 5.124 609 HG3 GLU 76 2HG GLU 76 23.213 -5.834 4.801 610 H LEU 77 H LEU 77 23.678 -5.724 0.256 611 HA LEU 77 HA LEU 77 25.994 -7.055 -0.881 612 HB2 LEU 77 1HB LEU 77 24.565 -7.711 -2.628 613 HB3 LEU 77 2HB LEU 77 23.522 -7.664 -1.203 614 HG LEU 77 HG LEU 77 22.987 -5.213 -2.085 615 HD11 LEU 77 1HD1 LEU 77 22.999 -5.136 -4.538 616 HD12 LEU 77 2HD1 LEU 77 24.645 -5.265 -3.876 617 HD13 LEU 77 3HD1 LEU 77 23.855 -6.695 -4.583 618 HD21 LEU 77 1HD2 LEU 77 21.080 -6.195 -3.314 619 HD22 LEU 77 2HD2 LEU 77 21.909 -7.770 -3.343 620 HD23 LEU 77 3HD2 LEU 77 21.381 -7.071 -1.794 621 H VAL 78 H VAL 78 24.449 -3.915 -1.227 622 HA VAL 78 HA VAL 78 26.021 -3.124 -3.535 623 HB VAL 78 HB VAL 78 25.169 -0.867 -3.066 624 HG11 VAL 78 1HG1 VAL 78 22.770 -1.329 -3.207 625 HG12 VAL 78 2HG1 VAL 78 23.721 -2.419 -4.244 626 HG13 VAL 78 3HG1 VAL 78 23.065 -3.008 -2.698 627 HG21 VAL 78 1HG2 VAL 78 23.735 -0.470 -1.089 628 HG22 VAL 78 2HG2 VAL 78 24.067 -2.122 -0.518 629 HG23 VAL 78 3HG2 VAL 78 25.385 -0.929 -0.605 630 H ASP 79 H ASP 79 26.417 -3.016 -0.040 631 HA ASP 79 HA ASP 79 28.832 -1.419 -0.102 632 HB2 ASP 79 1HB ASP 79 27.393 -1.793 1.940 633 HB3 ASP 79 2HB ASP 79 27.960 -3.456 1.985 634 H TYR 80 H TYR 80 28.169 -4.933 0.007 635 HA TYR 80 HA TYR 80 30.819 -5.851 -0.293 636 HB2 TYR 80 1HB TYR 80 28.978 -7.400 0.067 637 HB3 TYR 80 2HB TYR 80 28.217 -6.927 -1.445 638 HD1 TYR 80 HD1 TYR 80 31.292 -8.507 -0.047 639 HD2 TYR 80 HD2 TYR 80 28.707 -8.039 -3.439 640 HE1 TYR 80 HE1 TYR 80 32.513 -10.304 -1.225 641 HE2 TYR 80 HE2 TYR 80 29.928 -9.836 -4.617 642 HH TYR 80 HH TYR 80 31.573 -11.317 -4.514 643 H HIS 81 H HIS 81 28.493 -4.849 -2.812 644 HA HIS 81 HA HIS 81 30.599 -5.059 -4.875 645 HB2 HIS 81 1HB HIS 81 27.659 -4.313 -4.967 646 HB3 HIS 81 2HB HIS 81 28.718 -4.192 -6.365 647 HD2 HIS 81 HD2 HIS 81 26.388 -6.843 -4.821 648 HE1 HIS 81 HE1 HIS 81 29.285 -8.912 -7.140 649 H ARG 82 H ARG 82 30.082 -2.879 -2.526 650 HA ARG 82 HA ARG 82 30.865 -0.558 -4.151 651 HB2 ARG 82 1HB ARG 82 29.629 -0.221 -2.052 652 HB3 ARG 82 2HB ARG 82 30.908 -1.015 -1.147 653 HG2 ARG 82 1HG ARG 82 32.459 0.771 -1.655 654 HG3 ARG 82 2HG ARG 82 31.264 1.545 -2.725 655 HD2 ARG 82 1HD ARG 82 31.299 2.661 -0.615 656 HD3 ARG 82 2HD ARG 82 29.761 1.786 -0.793 657 HE ARG 82 HE ARG 82 30.348 0.400 0.953 658 HH11 ARG 82 1HH1 ARG 82 33.122 2.327 -0.013 659 HH12 ARG 82 2HH1 ARG 82 34.077 1.880 1.383 660 HH21 ARG 82 1HH2 ARG 82 31.597 -0.174 2.760 661 HH22 ARG 82 2HH2 ARG 82 33.215 0.464 2.953 662 H SER 83 H SER 83 32.386 -2.998 -2.066 663 HA SER 83 HA SER 83 35.049 -1.832 -2.504 664 HB2 SER 83 1HB SER 83 35.843 -3.596 -1.058 665 HB3 SER 83 2HB SER 83 34.411 -2.876 -0.338 666 HG SER 83 HG SER 83 33.431 -4.692 -1.782 667 H THR 84 H THR 84 32.993 -4.236 -3.919 668 HA THR 84 HA THR 84 35.278 -5.136 -5.620 669 HB THR 84 HB THR 84 33.006 -6.869 -4.557 670 HG1 THR 84 HG1 THR 84 34.396 -7.024 -2.959 671 HG21 THR 84 1HG2 THR 84 34.198 -8.707 -5.685 672 HG22 THR 84 2HG2 THR 84 33.678 -7.472 -6.857 673 HG23 THR 84 3HG2 THR 84 35.377 -7.546 -6.338 674 H SER 85 H SER 85 34.957 -5.241 -7.760 675 HA SER 85 HA SER 85 32.829 -3.802 -8.948 676 HB2 SER 85 1HB SER 85 34.865 -4.089 -10.161 677 HB3 SER 85 2HB SER 85 34.780 -5.840 -10.044 678 HG SER 85 HG SER 85 33.800 -5.746 -11.831 679 H VAL 86 H VAL 86 31.017 -4.409 -10.123 680 HA VAL 86 HA VAL 86 29.607 -6.681 -9.000 681 HB VAL 86 HB VAL 86 27.742 -5.947 -10.420 682 HG11 VAL 86 1HG1 VAL 86 27.482 -3.667 -9.571 683 HG12 VAL 86 2HG1 VAL 86 28.117 -4.772 -8.329 684 HG13 VAL 86 3HG1 VAL 86 29.210 -3.629 -9.147 685 HG21 VAL 86 1HG2 VAL 86 28.031 -4.034 -11.963 686 HG22 VAL 86 2HG2 VAL 86 29.776 -4.017 -11.611 687 HG23 VAL 86 3HG2 VAL 86 29.050 -5.411 -12.446 688 H SER 87 H SER 87 31.774 -6.317 -11.584 689 HA SER 87 HA SER 87 30.988 -8.883 -12.781 690 HB2 SER 87 1HB SER 87 29.494 -7.400 -13.968 691 HB3 SER 87 2HB SER 87 30.790 -6.258 -14.286 692 HG SER 87 HG SER 87 30.048 -8.115 -15.817 693 H ARG 88 H ARG 88 32.562 -9.787 -14.131 694 HA ARG 88 HA ARG 88 35.260 -8.683 -13.785 695 HB2 ARG 88 1HB ARG 88 34.237 -11.169 -15.196 696 HB3 ARG 88 2HB ARG 88 35.935 -10.731 -15.080 697 HG2 ARG 88 1HG ARG 88 35.827 -10.896 -12.634 698 HG3 ARG 88 2HG ARG 88 34.102 -11.326 -12.743 699 HD2 ARG 88 1HD ARG 88 34.675 -13.295 -14.041 700 HD3 ARG 88 2HD ARG 88 36.398 -12.865 -13.933 701 HE ARG 88 HE ARG 88 35.371 -12.964 -11.319 702 HH11 ARG 88 1HH1 ARG 88 35.971 -15.131 -14.018 703 HH12 ARG 88 2HH1 ARG 88 36.232 -16.530 -13.001 704 HH21 ARG 88 1HH2 ARG 88 35.711 -14.787 -10.008 705 HH22 ARG 88 2HH2 ARG 88 36.084 -16.336 -10.730 706 H ASN 89 H ASN 89 32.727 -8.340 -16.006 707 HA ASN 89 HA ASN 89 34.635 -7.611 -18.187 708 HB2 ASN 89 1HB ASN 89 31.700 -8.377 -18.326 709 HB3 ASN 89 2HB ASN 89 32.659 -7.833 -19.696 710 HD21 ASN 89 1HD2 ASN 89 32.511 -11.636 -19.170 711 HD22 ASN 89 2HD2 ASN 89 31.294 -10.431 -18.907 712 H GLN 90 H GLN 90 31.935 -6.512 -16.218 713 HA GLN 90 HA GLN 90 32.250 -3.810 -17.454 714 HB2 GLN 90 1HB GLN 90 29.877 -4.848 -15.858 715 HB3 GLN 90 2HB GLN 90 29.981 -3.322 -16.723 716 HG2 GLN 90 1HG GLN 90 30.260 -4.659 -18.849 717 HG3 GLN 90 2HG GLN 90 29.844 -6.103 -17.883 718 HE21 GLN 90 1HE2 GLN 90 26.926 -4.022 -19.514 719 HE22 GLN 90 2HE2 GLN 90 28.572 -4.101 -20.051 720 H GLN 91 H GLN 91 33.763 -2.797 -16.273 721 HA GLN 91 HA GLN 91 34.175 -3.485 -13.491 722 HB2 GLN 91 1HB GLN 91 35.395 -1.288 -15.210 723 HB3 GLN 91 2HB GLN 91 35.937 -1.706 -13.592 724 HG2 GLN 91 1HG GLN 91 35.911 -3.647 -15.910 725 HG3 GLN 91 2HG GLN 91 37.317 -2.656 -15.428 726 HE21 GLN 91 1HE2 GLN 91 36.664 -6.191 -13.695 727 HE22 GLN 91 2HE2 GLN 91 35.918 -5.652 -15.163 728 H ILE 92 H ILE 92 31.935 -2.946 -12.832 729 HA ILE 92 HA ILE 92 31.677 -0.022 -12.271 730 HB ILE 92 HB ILE 92 29.472 -2.109 -12.551 731 HG12 ILE 92 1HG1 ILE 92 30.272 0.184 -14.359 732 HG13 ILE 92 2HG1 ILE 92 30.503 -1.526 -14.692 733 HG21 ILE 92 1HG2 ILE 92 27.950 -0.185 -12.347 734 HG22 ILE 92 2HG2 ILE 92 28.939 -0.376 -10.881 735 HG23 ILE 92 3HG2 ILE 92 29.340 0.890 -12.066 736 HD11 ILE 92 1HD1 ILE 92 28.567 -0.656 -15.877 737 HD12 ILE 92 2HD1 ILE 92 28.070 -1.872 -14.675 738 HD13 ILE 92 3HD1 ILE 92 27.836 -0.139 -14.340 739 H PHE 93 H PHE 93 31.677 0.630 -10.228 740 HA PHE 93 HA PHE 93 31.054 -1.403 -8.127 741 HB2 PHE 93 1HB PHE 93 32.602 1.210 -7.903 742 HB3 PHE 93 2HB PHE 93 32.227 0.143 -6.559 743 HD1 PHE 93 HD1 PHE 93 33.941 0.179 -9.873 744 HD2 PHE 93 HD2 PHE 93 33.693 -1.560 -5.979 745 HE1 PHE 93 HE1 PHE 93 36.010 -1.100 -10.314 746 HE2 PHE 93 HE2 PHE 93 35.763 -2.838 -6.415 747 HZ PHE 93 HZ PHE 93 36.921 -2.609 -8.585 748 H LEU 94 H LEU 94 29.771 -0.746 -6.322 749 HA LEU 94 HA LEU 94 27.933 1.515 -6.963 750 HB2 LEU 94 1HB LEU 94 27.521 -0.809 -5.049 751 HB3 LEU 94 2HB LEU 94 26.336 0.440 -5.448 752 HG LEU 94 HG LEU 94 27.368 -1.778 -7.239 753 HD11 LEU 94 1HD1 LEU 94 24.989 -2.377 -7.307 754 HD12 LEU 94 2HD1 LEU 94 25.621 -2.381 -5.644 755 HD13 LEU 94 3HD1 LEU 94 24.617 -1.025 -6.212 756 HD21 LEU 94 1HD2 LEU 94 25.941 -0.782 -8.995 757 HD22 LEU 94 2HD2 LEU 94 25.582 0.594 -7.924 758 HD23 LEU 94 3HD2 LEU 94 27.241 0.336 -8.516 759 H ARG 95 H ARG 95 28.639 3.322 -6.036 760 HA ARG 95 HA ARG 95 29.791 3.105 -3.287 761 HB2 ARG 95 1HB ARG 95 30.329 5.162 -5.457 762 HB3 ARG 95 2HB ARG 95 30.999 5.211 -3.833 763 HG2 ARG 95 1HG ARG 95 32.175 3.084 -4.254 764 HG3 ARG 95 2HG ARG 95 31.515 3.066 -5.908 765 HD2 ARG 95 1HD ARG 95 32.582 5.305 -6.236 766 HD3 ARG 95 2HD ARG 95 33.410 5.046 -4.683 767 HE ARG 95 HE ARG 95 33.975 3.770 -7.228 768 HH11 ARG 95 1HH1 ARG 95 34.293 3.541 -3.737 769 HH12 ARG 95 2HH1 ARG 95 35.685 2.483 -3.807 770 HH21 ARG 95 1HH2 ARG 95 35.782 2.397 -7.307 771 HH22 ARG 95 2HH2 ARG 95 36.528 1.835 -5.828 772 H ASP 96 H ASP 96 29.213 4.576 -1.715 773 HA ASP 96 HA ASP 96 26.590 5.844 -2.131 774 HB2 ASP 96 1HB ASP 96 28.359 5.501 0.319 775 HB3 ASP 96 2HB ASP 96 26.840 6.386 0.345 Start of MODEL 2 1 H1 MET 1 1H MET 1 -1.600 3.171 -1.761 2 H2 MET 1 2H MET 1 -1.015 4.468 -0.961 3 H3 MET 1 3H MET 1 -0.756 4.315 -2.565 4 HA MET 1 HA MET 1 0.300 2.588 -0.472 5 HB2 MET 1 1HB MET 1 -0.204 1.368 -2.565 6 HB3 MET 1 2HB MET 1 0.720 2.544 -3.488 7 HG2 MET 1 1HG MET 1 2.778 1.864 -2.372 8 HG3 MET 1 2HG MET 1 1.880 0.759 -1.330 9 HE1 MET 1 1HE MET 1 3.939 -1.560 -3.800 10 HE2 MET 1 2HE MET 1 4.436 0.047 -3.213 11 HE3 MET 1 3HE MET 1 3.670 -1.112 -2.098 12 H LYS 2 H LYS 2 1.395 4.090 0.682 13 HA LYS 2 HA LYS 2 3.008 6.153 -0.494 14 HB2 LYS 2 1HB LYS 2 2.211 6.191 1.864 15 HB3 LYS 2 2HB LYS 2 3.254 4.826 2.236 16 HG2 LYS 2 1HG LYS 2 5.240 6.176 1.730 17 HG3 LYS 2 2HG LYS 2 4.209 7.547 1.298 18 HD2 LYS 2 1HD LYS 2 3.294 7.592 3.592 19 HD3 LYS 2 2HD LYS 2 4.306 6.206 4.027 20 HE2 LYS 2 1HE LYS 2 6.335 7.530 3.533 21 HE3 LYS 2 2HE LYS 2 5.331 8.913 3.093 22 HZ1 LYS 2 1HZ LYS 2 6.128 9.080 5.334 23 HZ2 LYS 2 2HZ LYS 2 4.484 8.939 5.338 24 HZ3 LYS 2 3HZ LYS 2 5.425 7.648 5.749 25 HA PRO 3 HA PRO 3 6.254 3.585 -1.867 26 HB2 PRO 3 1HB PRO 3 7.881 5.521 -2.912 27 HB3 PRO 3 2HB PRO 3 6.351 5.076 -3.678 28 HG2 PRO 3 1HG PRO 3 6.935 7.393 -1.783 29 HG3 PRO 3 2HG PRO 3 6.085 7.436 -3.331 30 HD2 PRO 3 1HD PRO 3 4.727 7.310 -0.969 31 HD3 PRO 3 2HD PRO 3 4.121 6.473 -2.454 32 H HIS 4 H HIS 4 8.753 3.577 -1.669 33 HA HIS 4 HA HIS 4 9.469 3.674 1.109 34 HB2 HIS 4 1HB HIS 4 11.087 3.329 -1.431 35 HB3 HIS 4 2HB HIS 4 11.835 3.348 0.160 36 HD2 HIS 4 HD2 HIS 4 9.974 0.916 -2.164 37 HE1 HIS 4 HE1 HIS 4 10.413 -1.020 1.607 38 HA PRO 5 HA PRO 5 10.775 7.871 1.374 39 HB2 PRO 5 1HB PRO 5 11.818 7.805 3.891 40 HB3 PRO 5 2HB PRO 5 10.074 7.716 3.615 41 HG2 PRO 5 1HG PRO 5 12.046 5.454 4.136 42 HG3 PRO 5 2HG PRO 5 10.468 5.725 4.881 43 HD2 PRO 5 1HD PRO 5 10.817 4.005 2.766 44 HD3 PRO 5 2HD PRO 5 9.282 4.929 3.021 45 H TRP 6 H TRP 6 12.639 5.033 1.242 46 HA TRP 6 HA TRP 6 15.256 6.008 1.814 47 HB2 TRP 6 1HB TRP 6 14.326 3.774 -0.030 48 HB3 TRP 6 2HB TRP 6 16.007 4.065 0.391 49 HD1 TRP 6 HD1 TRP 6 13.061 2.138 1.505 50 HE1 TRP 6 HE1 TRP 6 13.440 1.117 3.851 51 HE3 TRP 6 HE3 TRP 6 17.220 4.814 2.864 52 HZ2 TRP 6 HZ2 TRP 6 15.274 1.424 5.975 53 HZ3 TRP 6 HZ3 TRP 6 18.237 4.403 5.068 54 HH2 TRP 6 HH2 TRP 6 17.286 2.733 6.604 55 H PHE 7 H PHE 7 16.861 6.874 0.576 56 HA PHE 7 HA PHE 7 17.671 8.346 -1.007 57 HB2 PHE 7 1HB PHE 7 16.503 6.051 -2.512 58 HB3 PHE 7 2HB PHE 7 16.854 7.489 -3.458 59 HD1 PHE 7 HD1 PHE 7 18.311 4.856 -1.333 60 HD2 PHE 7 HD2 PHE 7 19.103 8.176 -3.903 61 HE1 PHE 7 HE1 PHE 7 20.692 4.199 -1.446 62 HE2 PHE 7 HE2 PHE 7 21.484 7.519 -4.021 63 HZ PHE 7 HZ PHE 7 22.278 5.530 -2.790 64 H PHE 8 H PHE 8 15.194 7.773 -3.335 65 HA PHE 8 HA PHE 8 14.096 10.489 -2.749 66 HB2 PHE 8 1HB PHE 8 15.013 9.381 -5.430 67 HB3 PHE 8 2HB PHE 8 14.076 10.855 -5.246 68 HD1 PHE 8 HD1 PHE 8 17.313 9.248 -4.437 69 HD2 PHE 8 HD2 PHE 8 15.098 12.897 -4.632 70 HE1 PHE 8 HE1 PHE 8 19.401 10.532 -4.111 71 HE2 PHE 8 HE2 PHE 8 17.184 14.184 -4.307 72 HZ PHE 8 HZ PHE 8 19.336 12.999 -4.045 73 H GLY 9 H GLY 9 13.202 7.537 -2.492 74 HA2 GLY 9 1HA GLY 9 11.275 6.293 -2.838 75 HA3 GLY 9 2HA GLY 9 10.449 7.833 -2.983 76 H LYS 10 H LYS 10 9.210 7.792 -4.751 77 HA LYS 10 HA LYS 10 10.071 6.356 -7.164 78 HB2 LYS 10 1HB LYS 10 7.590 7.979 -6.486 79 HB3 LYS 10 2HB LYS 10 7.869 7.270 -8.070 80 HG2 LYS 10 1HG LYS 10 7.881 5.028 -7.112 81 HG3 LYS 10 2HG LYS 10 7.721 5.698 -5.483 82 HD2 LYS 10 1HD LYS 10 5.528 6.574 -5.973 83 HD3 LYS 10 2HD LYS 10 5.700 6.196 -7.694 84 HE2 LYS 10 1HE LYS 10 5.722 3.802 -7.207 85 HE3 LYS 10 2HE LYS 10 5.687 4.121 -5.471 86 HZ1 LYS 10 1HZ LYS 10 3.521 3.583 -6.311 87 HZ2 LYS 10 2HZ LYS 10 3.532 5.137 -5.759 88 HZ3 LYS 10 3HZ LYS 10 3.564 4.837 -7.382 89 H ILE 11 H ILE 11 12.018 8.075 -6.852 90 HA ILE 11 HA ILE 11 11.666 10.463 -8.428 91 HB ILE 11 HB ILE 11 13.663 9.861 -6.905 92 HG12 ILE 11 1HG1 ILE 11 14.174 10.918 -9.698 93 HG13 ILE 11 2HG1 ILE 11 13.574 11.849 -8.335 94 HG21 ILE 11 1HG2 ILE 11 15.519 8.695 -8.026 95 HG22 ILE 11 2HG2 ILE 11 14.101 7.632 -7.862 96 HG23 ILE 11 3HG2 ILE 11 14.476 8.379 -9.433 97 HD11 ILE 11 1HD1 ILE 11 15.952 12.227 -8.677 98 HD12 ILE 11 2HD1 ILE 11 15.665 11.430 -7.112 99 HD13 ILE 11 3HD1 ILE 11 16.272 10.487 -8.493 100 HA PRO 12 HA PRO 12 11.469 8.670 -12.469 101 HB2 PRO 12 1HB PRO 12 12.126 10.893 -13.923 102 HB3 PRO 12 2HB PRO 12 10.548 10.721 -13.144 103 HG2 PRO 12 1HG PRO 12 13.031 12.171 -12.113 104 HG3 PRO 12 2HG PRO 12 11.386 12.798 -12.249 105 HD2 PRO 12 1HD PRO 12 12.283 11.831 -9.891 106 HD3 PRO 12 2HD PRO 12 10.582 11.515 -10.424 107 H ARG 13 H ARG 13 12.971 7.756 -13.848 108 HA ARG 13 HA ARG 13 15.720 7.640 -13.245 109 HB2 ARG 13 1HB ARG 13 14.337 6.154 -14.823 110 HB3 ARG 13 2HB ARG 13 14.596 7.387 -16.046 111 HG2 ARG 13 1HG ARG 13 17.078 6.543 -14.732 112 HG3 ARG 13 2HG ARG 13 16.218 5.227 -15.568 113 HD2 ARG 13 1HD ARG 13 17.078 7.867 -16.727 114 HD3 ARG 13 2HD ARG 13 17.756 6.259 -17.071 115 HE ARG 13 HE ARG 13 15.011 6.158 -17.642 116 HH11 ARG 13 1HH1 ARG 13 17.890 7.803 -18.804 117 HH12 ARG 13 2HH1 ARG 13 17.298 7.946 -20.444 118 HH21 ARG 13 1HH2 ARG 13 14.254 6.351 -19.774 119 HH22 ARG 13 2HH2 ARG 13 15.240 7.125 -20.994 120 H ALA 14 H ALA 14 13.932 9.859 -15.367 121 HA ALA 14 HA ALA 14 15.876 11.355 -16.563 122 HB1 ALA 14 1HB ALA 14 14.478 13.355 -16.159 123 HB2 ALA 14 2HB ALA 14 13.495 11.946 -16.624 124 HB3 ALA 14 3HB ALA 14 13.567 12.458 -14.922 125 H LYS 15 H LYS 15 14.854 11.954 -13.169 126 HA LYS 15 HA LYS 15 16.841 14.038 -12.916 127 HB2 LYS 15 1HB LYS 15 14.543 13.774 -11.700 128 HB3 LYS 15 2HB LYS 15 15.418 12.730 -10.587 129 HG2 LYS 15 1HG LYS 15 15.366 14.900 -9.622 130 HG3 LYS 15 2HG LYS 15 17.021 14.637 -10.186 131 HD2 LYS 15 1HD LYS 15 16.470 15.902 -12.273 132 HD3 LYS 15 2HD LYS 15 14.862 16.235 -11.611 133 HE2 LYS 15 1HE LYS 15 15.820 17.471 -9.753 134 HE3 LYS 15 2HE LYS 15 17.456 17.015 -10.233 135 HZ1 LYS 15 1HZ LYS 15 16.911 19.225 -10.945 136 HZ2 LYS 15 2HZ LYS 15 17.145 18.258 -12.262 137 HZ3 LYS 15 3HZ LYS 15 15.616 18.686 -11.812 138 H ALA 16 H ALA 16 16.646 10.651 -11.933 139 HA ALA 16 HA ALA 16 18.761 10.743 -10.025 140 HB1 ALA 16 1HB ALA 16 18.799 8.282 -10.265 141 HB2 ALA 16 2HB ALA 16 17.139 8.904 -10.115 142 HB3 ALA 16 3HB ALA 16 17.764 8.414 -11.706 143 H GLU 17 H GLU 17 18.735 10.056 -13.509 144 HA GLU 17 HA GLU 17 21.575 9.507 -13.631 145 HB2 GLU 17 1HB GLU 17 19.562 10.263 -15.787 146 HB3 GLU 17 2HB GLU 17 21.229 9.805 -16.111 147 HG2 GLU 17 1HG GLU 17 20.728 7.614 -14.922 148 HG3 GLU 17 2HG GLU 17 19.033 8.091 -14.950 149 H GLU 18 H GLU 18 19.543 12.368 -14.200 150 HA GLU 18 HA GLU 18 21.556 14.128 -15.110 151 HB2 GLU 18 1HB GLU 18 19.165 14.706 -15.122 152 HB3 GLU 18 2HB GLU 18 19.128 14.705 -13.364 153 HG2 GLU 18 1HG GLU 18 20.715 16.597 -13.339 154 HG3 GLU 18 2HG GLU 18 20.715 16.608 -15.101 155 H MET 19 H MET 19 20.509 13.404 -11.771 156 HA MET 19 HA MET 19 22.319 15.187 -10.491 157 HB2 MET 19 1HB MET 19 20.868 12.682 -9.628 158 HB3 MET 19 2HB MET 19 22.030 13.445 -8.552 159 HG2 MET 19 1HG MET 19 20.713 15.577 -8.752 160 HG3 MET 19 2HG MET 19 19.503 14.682 -9.674 161 HE1 MET 19 1HE MET 19 17.739 12.458 -7.156 162 HE2 MET 19 2HE MET 19 17.617 13.375 -8.678 163 HE3 MET 19 3HE MET 19 18.822 12.075 -8.516 164 H LEU 20 H LEU 20 22.662 11.772 -11.426 165 HA LEU 20 HA LEU 20 25.245 11.418 -10.249 166 HB2 LEU 20 1HB LEU 20 23.828 10.011 -12.533 167 HB3 LEU 20 2HB LEU 20 25.402 9.501 -11.914 168 HG LEU 20 HG LEU 20 22.829 9.586 -10.300 169 HD11 LEU 20 1HD1 LEU 20 22.949 7.139 -10.443 170 HD12 LEU 20 2HD1 LEU 20 22.784 7.884 -12.050 171 HD13 LEU 20 3HD1 LEU 20 24.365 7.271 -11.512 172 HD21 LEU 20 1HD2 LEU 20 24.174 8.363 -8.625 173 HD22 LEU 20 2HD2 LEU 20 25.609 8.511 -9.669 174 HD23 LEU 20 3HD2 LEU 20 24.870 9.966 -8.958 175 H SER 21 H SER 21 24.167 12.619 -13.392 176 HA SER 21 HA SER 21 26.851 12.611 -14.525 177 HB2 SER 21 1HB SER 21 25.830 13.682 -16.433 178 HB3 SER 21 2HB SER 21 24.791 12.372 -15.897 179 HG SER 21 HG SER 21 23.933 14.295 -14.536 180 H LYS 22 H LYS 22 25.071 14.700 -12.458 181 HA LYS 22 HA LYS 22 27.001 16.900 -12.907 182 HB2 LYS 22 1HB LYS 22 24.658 16.580 -10.994 183 HB3 LYS 22 2HB LYS 22 25.732 17.972 -10.989 184 HG2 LYS 22 1HG LYS 22 25.081 18.481 -13.320 185 HG3 LYS 22 2HG LYS 22 23.984 17.093 -13.306 186 HD2 LYS 22 1HD LYS 22 22.735 18.102 -11.418 187 HD3 LYS 22 2HD LYS 22 23.828 19.494 -11.444 188 HE2 LYS 22 1HE LYS 22 23.125 20.003 -13.761 189 HE3 LYS 22 2HE LYS 22 22.036 18.613 -13.740 190 HZ1 LYS 22 1HZ LYS 22 20.883 20.644 -13.258 191 HZ2 LYS 22 2HZ LYS 22 20.837 19.654 -11.940 192 HZ3 LYS 22 3HZ LYS 22 21.854 20.952 -11.961 193 H GLN 23 H GLN 23 26.422 14.181 -10.800 194 HA GLN 23 HA GLN 23 28.195 14.981 -8.685 195 HB2 GLN 23 1HB GLN 23 26.481 13.142 -8.531 196 HB3 GLN 23 2HB GLN 23 27.487 12.161 -9.588 197 HG2 GLN 23 1HG GLN 23 27.874 11.472 -7.345 198 HG3 GLN 23 2HG GLN 23 29.329 12.346 -7.901 199 HE21 GLN 23 1HE2 GLN 23 29.309 14.446 -5.156 200 HE22 GLN 23 2HE2 GLN 23 30.184 13.549 -6.352 201 H ARG 24 H ARG 24 28.664 13.243 -11.736 202 HA ARG 24 HA ARG 24 30.579 12.633 -12.856 203 HB2 ARG 24 1HB ARG 24 32.028 14.688 -11.168 204 HB3 ARG 24 2HB ARG 24 32.461 14.113 -12.771 205 HG2 ARG 24 1HG ARG 24 30.108 15.867 -12.036 206 HG3 ARG 24 2HG ARG 24 31.556 16.313 -12.971 207 HD2 ARG 24 1HD ARG 24 29.486 14.285 -13.786 208 HD3 ARG 24 2HD ARG 24 29.617 15.952 -14.390 209 HE ARG 24 HE ARG 24 32.097 14.653 -14.768 210 HH11 ARG 24 1HH1 ARG 24 28.794 14.555 -15.959 211 HH12 ARG 24 2HH1 ARG 24 29.249 13.964 -17.541 212 HH21 ARG 24 1HH2 ARG 24 32.676 13.885 -16.825 213 HH22 ARG 24 2HH2 ARG 24 31.446 13.584 -18.033 214 H HIS 25 H HIS 25 29.891 11.166 -10.495 215 HA HIS 25 HA HIS 25 32.630 10.270 -9.660 216 HB2 HIS 25 1HB HIS 25 31.442 11.203 -7.744 217 HB3 HIS 25 2HB HIS 25 30.031 10.212 -8.086 218 HD2 HIS 25 HD2 HIS 25 30.265 8.728 -5.586 219 HE1 HIS 25 HE1 HIS 25 34.016 7.028 -6.630 220 H ASP 26 H ASP 26 32.921 8.767 -11.258 221 HA ASP 26 HA ASP 26 31.053 6.775 -12.020 222 HB2 ASP 26 1HB ASP 26 34.087 6.833 -11.981 223 HB3 ASP 26 2HB ASP 26 33.196 5.433 -12.563 224 H GLY 27 H GLY 27 30.496 4.806 -11.266 225 HA2 GLY 27 1HA GLY 27 30.696 2.933 -9.748 226 HA3 GLY 27 2HA GLY 27 31.691 3.911 -8.686 227 H ALA 28 H ALA 28 29.744 6.230 -9.152 228 HA ALA 28 HA ALA 28 28.145 5.745 -6.812 229 HB1 ALA 28 1HB ALA 28 27.156 7.955 -7.311 230 HB2 ALA 28 2HB ALA 28 28.933 7.992 -7.406 231 HB3 ALA 28 3HB ALA 28 27.963 7.949 -8.897 232 H PHE 29 H PHE 29 25.825 5.869 -6.650 233 HA PHE 29 HA PHE 29 24.324 5.089 -9.073 234 HB2 PHE 29 1HB PHE 29 23.394 3.075 -8.039 235 HB3 PHE 29 2HB PHE 29 25.141 2.940 -8.164 236 HD1 PHE 29 HD1 PHE 29 22.333 3.517 -5.839 237 HD2 PHE 29 HD2 PHE 29 26.520 2.766 -6.230 238 HE1 PHE 29 HE1 PHE 29 22.468 3.024 -3.421 239 HE2 PHE 29 HE2 PHE 29 26.659 2.270 -3.811 240 HZ PHE 29 HZ PHE 29 24.632 2.401 -2.407 241 H LEU 30 H LEU 30 22.001 5.114 -8.766 242 HA LEU 30 HA LEU 30 21.127 6.294 -6.167 243 HB2 LEU 30 1HB LEU 30 21.120 7.880 -8.220 244 HB3 LEU 30 2HB LEU 30 19.762 6.908 -8.796 245 HG LEU 30 HG LEU 30 19.585 8.028 -6.025 246 HD11 LEU 30 1HD1 LEU 30 18.786 10.175 -6.905 247 HD12 LEU 30 2HD1 LEU 30 20.496 9.893 -7.310 248 HD13 LEU 30 3HD1 LEU 30 19.238 9.669 -8.549 249 HD21 LEU 30 1HD2 LEU 30 17.218 8.225 -6.707 250 HD22 LEU 30 2HD2 LEU 30 17.647 7.691 -8.350 251 HD23 LEU 30 3HD2 LEU 30 17.826 6.574 -6.976 252 H ILE 31 H ILE 31 20.015 4.808 -5.124 253 HA ILE 31 HA ILE 31 18.441 2.813 -6.620 254 HB ILE 31 HB ILE 31 19.118 3.166 -3.680 255 HG12 ILE 31 1HG1 ILE 31 19.683 0.845 -5.528 256 HG13 ILE 31 2HG1 ILE 31 20.780 2.206 -5.348 257 HG21 ILE 31 1HG2 ILE 31 17.855 1.094 -3.265 258 HG22 ILE 31 2HG2 ILE 31 16.785 2.388 -3.850 259 HG23 ILE 31 3HG2 ILE 31 17.297 1.091 -4.954 260 HD11 ILE 31 1HD1 ILE 31 21.452 0.346 -3.935 261 HD12 ILE 31 2HD1 ILE 31 20.979 1.746 -2.943 262 HD13 ILE 31 3HD1 ILE 31 19.869 0.366 -3.124 263 H ARG 32 H ARG 32 16.285 2.733 -6.789 264 HA ARG 32 HA ARG 32 14.642 4.661 -5.268 265 HB2 ARG 32 1HB ARG 32 13.738 5.754 -7.188 266 HB3 ARG 32 2HB ARG 32 15.487 5.851 -7.326 267 HG2 ARG 32 1HG ARG 32 15.383 3.862 -8.880 268 HG3 ARG 32 2HG ARG 32 13.613 4.047 -8.861 269 HD2 ARG 32 1HD ARG 32 13.894 6.368 -9.626 270 HD3 ARG 32 2HD ARG 32 15.646 6.078 -9.748 271 HE ARG 32 HE ARG 32 13.539 5.034 -11.496 272 HH11 ARG 32 1HH1 ARG 32 16.918 4.961 -10.540 273 HH12 ARG 32 2HH1 ARG 32 17.456 4.233 -12.037 274 HH21 ARG 32 1HH2 ARG 32 14.248 4.090 -13.435 275 HH22 ARG 32 2HH2 ARG 32 15.945 3.739 -13.677 276 H GLU 33 H GLU 33 12.344 4.326 -5.534 277 HA GLU 33 HA GLU 33 11.699 1.503 -6.074 278 HB2 GLU 33 1HB GLU 33 10.777 2.631 -4.065 279 HB3 GLU 33 2HB GLU 33 9.956 3.799 -5.091 280 HG2 GLU 33 1HG GLU 33 8.572 2.036 -6.050 281 HG3 GLU 33 2HG GLU 33 9.435 0.819 -5.111 282 H SER 34 H SER 34 10.622 0.718 -7.764 283 HA SER 34 HA SER 34 10.362 2.330 -10.130 284 HB2 SER 34 1HB SER 34 10.807 -0.048 -10.288 285 HB3 SER 34 2HB SER 34 9.326 -0.434 -9.428 286 HG SER 34 HG SER 34 9.724 0.069 -12.010 287 H GLU 35 H GLU 35 8.648 3.285 -11.087 288 HA GLU 35 HA GLU 35 6.174 3.554 -9.519 289 HB2 GLU 35 1HB GLU 35 7.002 4.717 -12.210 290 HB3 GLU 35 2HB GLU 35 5.497 5.089 -11.381 291 HG2 GLU 35 1HG GLU 35 6.857 5.950 -9.452 292 HG3 GLU 35 2HG GLU 35 8.299 5.723 -10.439 293 H SER 36 H SER 36 7.341 1.898 -12.392 294 HA SER 36 HA SER 36 4.663 1.114 -13.254 295 HB2 SER 36 1HB SER 36 5.797 -0.135 -14.976 296 HB3 SER 36 2HB SER 36 6.563 1.440 -14.832 297 HG SER 36 HG SER 36 7.491 -0.734 -13.351 298 H ALA 37 H ALA 37 7.115 -0.114 -11.119 299 HA ALA 37 HA ALA 37 5.236 -2.320 -10.461 300 HB1 ALA 37 1HB ALA 37 7.138 -3.860 -10.105 301 HB2 ALA 37 2HB ALA 37 7.029 -3.328 -11.800 302 HB3 ALA 37 3HB ALA 37 8.251 -2.616 -10.720 303 HA PRO 38 HA PRO 38 6.297 0.380 -6.879 304 HB2 PRO 38 1HB PRO 38 3.523 -0.701 -6.234 305 HB3 PRO 38 2HB PRO 38 4.185 0.911 -5.928 306 HG2 PRO 38 1HG PRO 38 2.552 0.603 -8.001 307 HG3 PRO 38 2HG PRO 38 4.015 1.569 -8.212 308 HD2 PRO 38 1HD PRO 38 3.481 -1.309 -9.041 309 HD3 PRO 38 2HD PRO 38 4.337 0.001 -9.950 310 H GLY 39 H GLY 39 7.129 -0.343 -4.958 311 HA2 GLY 39 1HA GLY 39 7.300 -1.867 -3.103 312 HA3 GLY 39 2HA GLY 39 6.507 -3.108 -4.053 313 H ASP 40 H ASP 40 8.310 -2.219 -6.401 314 HA ASP 40 HA ASP 40 10.704 -3.770 -5.530 315 HB2 ASP 40 1HB ASP 40 9.476 -3.302 -8.272 316 HB3 ASP 40 2HB ASP 40 11.066 -4.018 -8.046 317 H PHE 41 H PHE 41 12.787 -3.159 -6.431 318 HA PHE 41 HA PHE 41 12.989 -0.180 -6.547 319 HB2 PHE 41 1HB PHE 41 14.725 -2.317 -5.318 320 HB3 PHE 41 2HB PHE 41 15.471 -0.823 -5.863 321 HD1 PHE 41 HD1 PHE 41 13.224 -2.355 -3.423 322 HD2 PHE 41 HD2 PHE 41 14.952 1.306 -4.788 323 HE1 PHE 41 HE1 PHE 41 12.563 -1.257 -1.310 324 HE2 PHE 41 HE2 PHE 41 14.295 2.407 -2.674 325 HZ PHE 41 HZ PHE 41 13.097 1.124 -0.935 326 H SER 42 H SER 42 14.414 0.802 -8.034 327 HA SER 42 HA SER 42 15.935 -1.097 -9.773 328 HB2 SER 42 1HB SER 42 15.046 1.758 -10.295 329 HB3 SER 42 2HB SER 42 16.171 0.880 -11.319 330 HG SER 42 HG SER 42 14.575 -0.049 -12.180 331 H LEU 43 H LEU 43 18.125 -0.654 -10.203 332 HA LEU 43 HA LEU 43 19.355 1.407 -8.420 333 HB2 LEU 43 1HB LEU 43 19.777 -1.142 -7.962 334 HB3 LEU 43 2HB LEU 43 20.841 -1.040 -9.368 335 HG LEU 43 HG LEU 43 21.228 0.961 -7.169 336 HD11 LEU 43 1HD1 LEU 43 22.620 -0.637 -5.929 337 HD12 LEU 43 2HD1 LEU 43 20.914 -1.142 -5.968 338 HD13 LEU 43 3HD1 LEU 43 22.101 -1.939 -7.027 339 HD21 LEU 43 1HD2 LEU 43 23.580 0.645 -7.862 340 HD22 LEU 43 2HD2 LEU 43 23.076 -0.640 -8.987 341 HD23 LEU 43 3HD2 LEU 43 22.548 1.038 -9.258 342 H SER 44 H SER 44 19.911 3.078 -9.628 343 HA SER 44 HA SER 44 20.937 2.579 -12.374 344 HB2 SER 44 1HB SER 44 19.831 5.004 -10.954 345 HB3 SER 44 2HB SER 44 20.758 5.167 -12.438 346 HG SER 44 HG SER 44 19.283 4.082 -13.524 347 H VAL 45 H VAL 45 23.047 2.345 -12.572 348 HA VAL 45 HA VAL 45 24.780 3.597 -10.495 349 HB VAL 45 HB VAL 45 24.840 1.109 -10.689 350 HG11 VAL 45 1HG1 VAL 45 25.835 0.066 -12.666 351 HG12 VAL 45 2HG1 VAL 45 24.314 0.906 -13.051 352 HG13 VAL 45 3HG1 VAL 45 25.874 1.647 -13.480 353 HG21 VAL 45 1HG2 VAL 45 27.301 0.912 -10.851 354 HG22 VAL 45 2HG2 VAL 45 27.378 2.522 -11.605 355 HG23 VAL 45 3HG2 VAL 45 26.831 2.353 -9.920 356 H LYS 46 H LYS 46 25.888 5.333 -11.059 357 HA LYS 46 HA LYS 46 26.526 5.863 -13.880 358 HB2 LYS 46 1HB LYS 46 26.077 7.878 -12.841 359 HB3 LYS 46 2HB LYS 46 26.734 7.362 -11.294 360 HG2 LYS 46 1HG LYS 46 28.202 9.024 -12.075 361 HG3 LYS 46 2HG LYS 46 29.043 7.497 -12.378 362 HD2 LYS 46 1HD LYS 46 29.306 8.243 -14.489 363 HD3 LYS 46 2HD LYS 46 27.593 7.852 -14.711 364 HE2 LYS 46 1HE LYS 46 28.263 10.194 -15.400 365 HE3 LYS 46 2HE LYS 46 26.921 10.103 -14.257 366 HZ1 LYS 46 1HZ LYS 46 28.499 11.778 -13.634 367 HZ2 LYS 46 2HZ LYS 46 28.470 10.590 -12.490 368 HZ3 LYS 46 3HZ LYS 46 29.723 10.675 -13.559 369 H PHE 47 H PHE 47 27.916 4.245 -14.520 370 HA PHE 47 HA PHE 47 30.682 4.736 -13.505 371 HB2 PHE 47 1HB PHE 47 29.677 2.422 -12.936 372 HB3 PHE 47 2HB PHE 47 29.774 2.080 -14.656 373 HD1 PHE 47 HD1 PHE 47 31.970 1.977 -15.787 374 HD2 PHE 47 HD2 PHE 47 31.628 2.458 -11.555 375 HE1 PHE 47 HE1 PHE 47 34.333 1.298 -15.521 376 HE2 PHE 47 HE2 PHE 47 33.991 1.782 -11.286 377 HZ PHE 47 HZ PHE 47 35.343 1.201 -13.269 378 H GLY 48 H GLY 48 31.909 5.657 -14.973 379 HA2 GLY 48 1HA GLY 48 33.077 5.705 -17.034 380 HA3 GLY 48 2HA GLY 48 31.879 4.638 -17.741 381 H ASN 49 H ASN 49 31.291 7.661 -15.953 382 HA ASN 49 HA ASN 49 30.201 9.595 -16.557 383 HB2 ASN 49 1HB ASN 49 31.624 8.945 -19.149 384 HB3 ASN 49 2HB ASN 49 30.648 10.394 -18.952 385 HD21 ASN 49 1HD2 ASN 49 34.366 10.735 -18.028 386 HD22 ASN 49 2HD2 ASN 49 33.617 9.794 -19.275 387 H ASP 50 H ASP 50 28.973 6.844 -17.028 388 HA ASP 50 HA ASP 50 26.486 8.038 -18.023 389 HB2 ASP 50 1HB ASP 50 27.885 6.879 -19.978 390 HB3 ASP 50 2HB ASP 50 27.217 5.407 -19.286 391 H VAL 51 H VAL 51 24.667 6.330 -17.914 392 HA VAL 51 HA VAL 51 25.059 4.989 -15.270 393 HB VAL 51 HB VAL 51 22.548 6.310 -16.386 394 HG11 VAL 51 1HG1 VAL 51 21.621 5.943 -14.151 395 HG12 VAL 51 2HG1 VAL 51 22.032 4.413 -14.963 396 HG13 VAL 51 3HG1 VAL 51 23.093 5.057 -13.687 397 HG21 VAL 51 1HG2 VAL 51 22.943 7.991 -14.613 398 HG22 VAL 51 2HG2 VAL 51 24.458 7.165 -14.171 399 HG23 VAL 51 3HG2 VAL 51 24.298 7.940 -15.766 400 H GLN 52 H GLN 52 24.767 2.861 -15.229 401 HA GLN 52 HA GLN 52 22.939 1.645 -17.241 402 HB2 GLN 52 1HB GLN 52 24.989 0.420 -15.357 403 HB3 GLN 52 2HB GLN 52 23.864 -0.534 -16.313 404 HG2 GLN 52 1HG GLN 52 24.804 0.518 -18.375 405 HG3 GLN 52 2HG GLN 52 26.029 1.307 -17.341 406 HE21 GLN 52 1HE2 GLN 52 26.491 -2.612 -16.648 407 HE22 GLN 52 2HE2 GLN 52 25.210 -1.646 -15.992 408 H HIS 53 H HIS 53 21.267 0.248 -16.617 409 HA HIS 53 HA HIS 53 20.214 0.889 -13.887 410 HB2 HIS 53 1HB HIS 53 18.759 1.846 -15.518 411 HB3 HIS 53 2HB HIS 53 18.817 0.411 -16.532 412 HD2 HIS 53 HD2 HIS 53 16.399 1.924 -13.952 413 HE1 HIS 53 HE1 HIS 53 15.710 -2.268 -14.000 414 H PHE 54 H PHE 54 19.999 -0.679 -12.483 415 HA PHE 54 HA PHE 54 19.906 -3.479 -13.524 416 HB2 PHE 54 1HB PHE 54 20.698 -2.553 -10.736 417 HB3 PHE 54 2HB PHE 54 20.806 -4.187 -11.372 418 HD1 PHE 54 HD1 PHE 54 21.826 -3.237 -14.172 419 HD2 PHE 54 HD2 PHE 54 23.019 -2.418 -10.153 420 HE1 PHE 54 HE1 PHE 54 24.129 -2.785 -14.949 421 HE2 PHE 54 HE2 PHE 54 25.323 -1.962 -10.927 422 HZ PHE 54 HZ PHE 54 25.877 -2.148 -13.327 423 H LYS 55 H LYS 55 18.459 -4.962 -12.620 424 HA LYS 55 HA LYS 55 16.048 -3.728 -11.432 425 HB2 LYS 55 1HB LYS 55 15.014 -5.948 -11.814 426 HB3 LYS 55 2HB LYS 55 15.692 -5.271 -13.289 427 HG2 LYS 55 1HG LYS 55 17.779 -6.709 -12.763 428 HG3 LYS 55 2HG LYS 55 16.727 -7.560 -11.622 429 HD2 LYS 55 1HD LYS 55 15.080 -7.839 -13.568 430 HD3 LYS 55 2HD LYS 55 16.392 -7.293 -14.623 431 HE2 LYS 55 1HE LYS 55 17.823 -9.138 -13.786 432 HE3 LYS 55 2HE LYS 55 16.500 -9.691 -12.756 433 HZ1 LYS 55 1HZ LYS 55 16.603 -10.922 -14.796 434 HZ2 LYS 55 2HZ LYS 55 15.194 -10.065 -14.734 435 HZ3 LYS 55 3HZ LYS 55 16.430 -9.550 -15.696 436 H VAL 56 H VAL 56 15.572 -3.765 -9.364 437 HA VAL 56 HA VAL 56 17.026 -5.721 -7.636 438 HB VAL 56 HB VAL 56 15.808 -3.022 -6.911 439 HG11 VAL 56 1HG1 VAL 56 16.831 -3.371 -4.715 440 HG12 VAL 56 2HG1 VAL 56 15.603 -4.606 -5.083 441 HG13 VAL 56 3HG1 VAL 56 17.335 -5.004 -5.210 442 HG21 VAL 56 1HG2 VAL 56 18.163 -2.355 -6.545 443 HG22 VAL 56 2HG2 VAL 56 18.701 -3.958 -7.103 444 HG23 VAL 56 3HG2 VAL 56 17.888 -2.849 -8.233 445 H LEU 57 H LEU 57 15.825 -7.358 -6.907 446 HA LEU 57 HA LEU 57 12.863 -7.008 -7.133 447 HB2 LEU 57 1HB LEU 57 14.449 -9.526 -7.736 448 HB3 LEU 57 2HB LEU 57 12.725 -9.259 -8.010 449 HG LEU 57 HG LEU 57 14.970 -7.823 -9.473 450 HD11 LEU 57 1HD1 LEU 57 14.304 -9.225 -11.373 451 HD12 LEU 57 2HD1 LEU 57 14.889 -10.204 -10.007 452 HD13 LEU 57 3HD1 LEU 57 13.144 -10.084 -10.333 453 HD21 LEU 57 1HD2 LEU 57 13.130 -7.052 -10.933 454 HD22 LEU 57 2HD2 LEU 57 11.952 -7.878 -9.887 455 HD23 LEU 57 3HD2 LEU 57 12.890 -6.503 -9.257 456 H ARG 58 H ARG 58 11.551 -8.464 -5.867 457 HA ARG 58 HA ARG 58 12.790 -9.019 -3.238 458 HB2 ARG 58 1HB ARG 58 9.895 -9.153 -4.147 459 HB3 ARG 58 2HB ARG 58 10.453 -9.427 -2.503 460 HG2 ARG 58 1HG ARG 58 11.313 -7.095 -2.438 461 HG3 ARG 58 2HG ARG 58 10.627 -6.837 -4.061 462 HD2 ARG 58 1HD ARG 58 9.006 -6.018 -2.648 463 HD3 ARG 58 2HD ARG 58 8.434 -7.661 -3.018 464 HE ARG 58 HE ARG 58 10.045 -7.682 -0.669 465 HH11 ARG 58 1HH1 ARG 58 6.878 -6.706 -1.834 466 HH12 ARG 58 2HH1 ARG 58 6.111 -6.879 -0.271 467 HH21 ARG 58 1HH2 ARG 58 9.039 -7.904 1.356 468 HH22 ARG 58 2HH2 ARG 58 7.333 -7.557 1.535 469 H ASP 59 H ASP 59 13.172 -10.983 -2.427 470 HA ASP 59 HA ASP 59 12.742 -13.292 -4.217 471 HB2 ASP 59 1HB ASP 59 14.248 -14.491 -2.741 472 HB3 ASP 59 2HB ASP 59 14.959 -12.928 -3.123 473 H GLY 60 H GLY 60 12.584 -15.375 -2.448 474 HA2 GLY 60 1HA GLY 60 9.739 -15.476 -2.108 475 HA3 GLY 60 2HA GLY 60 10.883 -16.693 -1.576 476 H ALA 61 H ALA 61 12.280 -14.310 -0.101 477 HA ALA 61 HA ALA 61 10.789 -14.708 2.400 478 HB1 ALA 61 1HB ALA 61 12.701 -13.535 3.443 479 HB2 ALA 61 2HB ALA 61 13.236 -14.892 2.424 480 HB3 ALA 61 3HB ALA 61 13.378 -13.222 1.828 481 H GLY 62 H GLY 62 10.598 -12.571 -0.143 482 HA2 GLY 62 1HA GLY 62 9.502 -10.496 -0.310 483 HA3 GLY 62 2HA GLY 62 9.309 -10.460 1.432 484 H LYS 63 H LYS 63 12.490 -11.239 0.458 485 HA LYS 63 HA LYS 63 13.369 -8.557 1.386 486 HB2 LYS 63 1HB LYS 63 14.704 -11.275 1.261 487 HB3 LYS 63 2HB LYS 63 15.649 -9.808 1.477 488 HG2 LYS 63 1HG LYS 63 14.142 -9.303 3.486 489 HG3 LYS 63 2HG LYS 63 13.563 -10.968 3.328 490 HD2 LYS 63 1HD LYS 63 16.522 -10.362 3.452 491 HD3 LYS 63 2HD LYS 63 15.555 -10.485 4.928 492 HE2 LYS 63 1HE LYS 63 14.819 -12.757 4.231 493 HE3 LYS 63 2HE LYS 63 15.839 -12.634 2.796 494 HZ1 LYS 63 1HZ LYS 63 16.927 -13.826 4.551 495 HZ2 LYS 63 2HZ LYS 63 17.744 -12.428 4.239 496 HZ3 LYS 63 3HZ LYS 63 16.791 -12.545 5.580 497 H TYR 64 H TYR 64 14.990 -7.374 0.335 498 HA TYR 64 HA TYR 64 14.580 -7.519 -2.570 499 HB2 TYR 64 1HB TYR 64 15.931 -5.475 -0.767 500 HB3 TYR 64 2HB TYR 64 15.867 -5.325 -2.519 501 HD1 TYR 64 HD1 TYR 64 14.187 -4.687 0.558 502 HD2 TYR 64 HD2 TYR 64 13.539 -5.345 -3.631 503 HE1 TYR 64 HE1 TYR 64 11.971 -3.608 0.730 504 HE2 TYR 64 HE2 TYR 64 11.323 -4.264 -3.459 505 HH TYR 64 HH TYR 64 9.802 -3.397 -2.085 506 H PHE 65 H PHE 65 16.036 -7.949 -4.113 507 HA PHE 65 HA PHE 65 18.897 -8.074 -3.384 508 HB2 PHE 65 1HB PHE 65 19.253 -10.292 -4.195 509 HB3 PHE 65 2HB PHE 65 17.916 -10.392 -3.060 510 HD1 PHE 65 HD1 PHE 65 18.961 -10.773 -6.518 511 HD2 PHE 65 HD2 PHE 65 15.603 -10.693 -3.878 512 HE1 PHE 65 HE1 PHE 65 17.574 -11.859 -8.252 513 HE2 PHE 65 HE2 PHE 65 14.214 -11.781 -5.609 514 HZ PHE 65 HZ PHE 65 15.200 -12.363 -7.798 515 H LEU 66 H LEU 66 20.266 -8.480 -5.365 516 HA LEU 66 HA LEU 66 18.943 -7.436 -7.822 517 HB2 LEU 66 1HB LEU 66 20.173 -5.634 -6.478 518 HB3 LEU 66 2HB LEU 66 21.664 -6.493 -6.876 519 HG LEU 66 HG LEU 66 19.746 -5.343 -8.933 520 HD11 LEU 66 1HD1 LEU 66 21.434 -3.582 -9.204 521 HD12 LEU 66 2HD1 LEU 66 20.742 -3.583 -7.565 522 HD13 LEU 66 3HD1 LEU 66 22.362 -4.263 -7.847 523 HD21 LEU 66 1HD2 LEU 66 21.643 -5.741 -10.467 524 HD22 LEU 66 2HD2 LEU 66 22.577 -6.454 -9.128 525 HD23 LEU 66 3HD2 LEU 66 21.101 -7.259 -9.712 526 H TRP 67 H TRP 67 22.151 -8.522 -6.635 527 HA TRP 67 HA TRP 67 22.607 -9.876 -9.212 528 HB2 TRP 67 1HB TRP 67 24.420 -9.773 -6.771 529 HB3 TRP 67 2HB TRP 67 24.872 -10.233 -8.406 530 HD1 TRP 67 HD1 TRP 67 24.647 -7.262 -6.146 531 HE1 TRP 67 HE1 TRP 67 25.249 -5.098 -7.428 532 HE3 TRP 67 HE3 TRP 67 24.551 -9.125 -10.923 533 HZ2 TRP 67 HZ2 TRP 67 25.630 -4.314 -10.113 534 HZ3 TRP 67 HZ3 TRP 67 25.041 -7.615 -12.805 535 HH2 TRP 67 HH2 TRP 67 25.576 -5.246 -12.414 536 H VAL 68 H VAL 68 23.601 -12.117 -9.147 537 HA VAL 68 HA VAL 68 22.181 -14.032 -7.583 538 HB VAL 68 HB VAL 68 23.969 -15.602 -8.260 539 HG11 VAL 68 1HG1 VAL 68 23.730 -15.372 -10.683 540 HG12 VAL 68 2HG1 VAL 68 22.191 -15.096 -9.834 541 HG13 VAL 68 3HG1 VAL 68 23.119 -13.715 -10.464 542 HG21 VAL 68 1HG2 VAL 68 25.879 -14.771 -9.595 543 HG22 VAL 68 2HG2 VAL 68 25.330 -13.098 -9.336 544 HG23 VAL 68 3HG2 VAL 68 25.888 -14.076 -7.958 545 H VAL 69 H VAL 69 25.008 -12.054 -6.912 546 HA VAL 69 HA VAL 69 25.592 -13.316 -4.370 547 HB VAL 69 HB VAL 69 26.167 -10.529 -5.457 548 HG11 VAL 69 1HG1 VAL 69 27.725 -10.276 -3.587 549 HG12 VAL 69 2HG1 VAL 69 26.041 -10.435 -3.035 550 HG13 VAL 69 3HG1 VAL 69 27.154 -11.817 -2.905 551 HG21 VAL 69 1HG2 VAL 69 28.468 -11.418 -5.662 552 HG22 VAL 69 2HG2 VAL 69 27.911 -12.993 -5.046 553 HG23 VAL 69 3HG2 VAL 69 27.316 -12.387 -6.611 554 H LYS 70 H LYS 70 24.699 -13.028 -2.418 555 HA LYS 70 HA LYS 70 22.519 -11.010 -2.187 556 HB2 LYS 70 1HB LYS 70 21.449 -13.121 -2.818 557 HB3 LYS 70 2HB LYS 70 22.305 -13.976 -1.543 558 HG2 LYS 70 1HG LYS 70 20.086 -13.628 -0.777 559 HG3 LYS 70 2HG LYS 70 21.112 -12.509 0.131 560 HD2 LYS 70 1HD LYS 70 20.443 -10.650 -1.265 561 HD3 LYS 70 2HD LYS 70 19.588 -11.728 -2.378 562 HE2 LYS 70 1HE LYS 70 18.865 -11.270 0.539 563 HE3 LYS 70 2HE LYS 70 18.032 -10.565 -0.848 564 HZ1 LYS 70 1HZ LYS 70 16.906 -12.504 -0.035 565 HZ2 LYS 70 2HZ LYS 70 17.465 -12.785 -1.561 566 HZ3 LYS 70 3HZ LYS 70 18.241 -13.443 -0.263 567 H PHE 71 H PHE 71 22.483 -9.930 -0.337 568 HA PHE 71 HA PHE 71 23.681 -11.258 2.054 569 HB2 PHE 71 1HB PHE 71 23.980 -8.374 1.150 570 HB3 PHE 71 2HB PHE 71 24.259 -8.869 2.812 571 HD1 PHE 71 HD1 PHE 71 25.404 -9.328 -0.677 572 HD2 PHE 71 HD2 PHE 71 26.263 -9.948 3.462 573 HE1 PHE 71 HE1 PHE 71 27.723 -9.959 -1.254 574 HE2 PHE 71 HE2 PHE 71 28.584 -10.576 2.888 575 HZ PHE 71 HZ PHE 71 29.314 -10.582 0.529 576 H ASN 72 H ASN 72 23.031 -9.290 3.914 577 HA ASN 72 HA ASN 72 20.417 -10.323 4.500 578 HB2 ASN 72 1HB ASN 72 22.187 -8.266 5.838 579 HB3 ASN 72 2HB ASN 72 20.588 -8.661 6.454 580 HD21 ASN 72 1HD2 ASN 72 23.739 -11.064 7.162 581 HD22 ASN 72 2HD2 ASN 72 23.864 -9.565 6.302 582 H SER 73 H SER 73 21.516 -7.456 2.907 583 HA SER 73 HA SER 73 18.738 -6.641 2.441 584 HB2 SER 73 1HB SER 73 18.945 -4.423 3.353 585 HB3 SER 73 2HB SER 73 19.324 -5.577 4.623 586 HG SER 73 HG SER 73 21.236 -4.852 4.712 587 H LEU 74 H LEU 74 18.543 -4.942 0.846 588 HA LEU 74 HA LEU 74 20.315 -5.024 -1.326 589 HB2 LEU 74 1HB LEU 74 18.063 -4.096 -1.487 590 HB3 LEU 74 2HB LEU 74 18.497 -2.770 -0.403 591 HG LEU 74 HG LEU 74 20.114 -1.947 -2.127 592 HD11 LEU 74 1HD1 LEU 74 19.958 -2.866 -4.398 593 HD12 LEU 74 2HD1 LEU 74 20.538 -4.081 -3.235 594 HD13 LEU 74 3HD1 LEU 74 18.855 -4.131 -3.811 595 HD21 LEU 74 1HD2 LEU 74 18.361 -1.084 -3.641 596 HD22 LEU 74 2HD2 LEU 74 17.233 -2.325 -3.043 597 HD23 LEU 74 3HD2 LEU 74 17.816 -1.050 -1.946 598 H ASN 75 H ASN 75 20.214 -2.690 1.377 599 HA ASN 75 HA ASN 75 22.307 -1.024 0.397 600 HB2 ASN 75 1HB ASN 75 21.237 -1.533 3.185 601 HB3 ASN 75 2HB ASN 75 22.515 -0.370 2.863 602 HD21 ASN 75 1HD2 ASN 75 19.184 1.307 2.846 603 HD22 ASN 75 2HD2 ASN 75 20.025 0.285 3.964 604 H GLU 76 H GLU 76 22.361 -4.003 2.270 605 HA GLU 76 HA GLU 76 25.115 -3.753 3.089 606 HB2 GLU 76 1HB GLU 76 23.403 -5.205 4.224 607 HB3 GLU 76 2HB GLU 76 23.423 -6.272 2.827 608 HG2 GLU 76 1HG GLU 76 25.635 -6.974 3.244 609 HG3 GLU 76 2HG GLU 76 25.939 -5.646 4.363 610 H LEU 77 H LEU 77 23.476 -5.368 0.372 611 HA LEU 77 HA LEU 77 25.862 -6.844 -0.369 612 HB2 LEU 77 1HB LEU 77 24.551 -7.790 -2.086 613 HB3 LEU 77 2HB LEU 77 23.433 -7.548 -0.740 614 HG LEU 77 HG LEU 77 22.969 -5.250 -2.058 615 HD11 LEU 77 1HD1 LEU 77 23.006 -5.666 -4.476 616 HD12 LEU 77 2HD1 LEU 77 24.643 -5.693 -3.779 617 HD13 LEU 77 3HD1 LEU 77 23.828 -7.219 -4.197 618 HD21 LEU 77 1HD2 LEU 77 21.053 -6.420 -3.092 619 HD22 LEU 77 2HD2 LEU 77 21.845 -7.985 -2.794 620 HD23 LEU 77 3HD2 LEU 77 21.319 -6.979 -1.424 621 H VAL 78 H VAL 78 24.342 -3.827 -1.351 622 HA VAL 78 HA VAL 78 26.072 -3.431 -3.652 623 HB VAL 78 HB VAL 78 25.173 -1.146 -3.658 624 HG11 VAL 78 1HG1 VAL 78 22.791 -1.666 -3.865 625 HG12 VAL 78 2HG1 VAL 78 23.812 -2.910 -4.622 626 HG13 VAL 78 3HG1 VAL 78 23.058 -3.218 -3.040 627 HG21 VAL 78 1HG2 VAL 78 23.612 -0.418 -1.883 628 HG22 VAL 78 2HG2 VAL 78 23.912 -1.933 -0.999 629 HG23 VAL 78 3HG2 VAL 78 25.227 -0.755 -1.219 630 H ASP 79 H ASP 79 26.246 -2.769 -0.209 631 HA ASP 79 HA ASP 79 28.631 -1.141 -0.354 632 HB2 ASP 79 1HB ASP 79 27.089 -1.314 1.645 633 HB3 ASP 79 2HB ASP 79 27.710 -2.934 1.927 634 H TYR 80 H TYR 80 28.033 -4.637 0.109 635 HA TYR 80 HA TYR 80 30.714 -5.514 0.039 636 HB2 TYR 80 1HB TYR 80 28.922 -7.083 0.463 637 HB3 TYR 80 2HB TYR 80 28.182 -6.753 -1.097 638 HD1 TYR 80 HD1 TYR 80 31.285 -8.116 0.466 639 HD2 TYR 80 HD2 TYR 80 28.710 -8.039 -2.966 640 HE1 TYR 80 HE1 TYR 80 32.566 -9.976 -0.539 641 HE2 TYR 80 HE2 TYR 80 29.992 -9.898 -3.969 642 HH TYR 80 HH TYR 80 32.774 -11.337 -2.281 643 H HIS 81 H HIS 81 28.502 -4.829 -2.682 644 HA HIS 81 HA HIS 81 30.717 -5.139 -4.609 645 HB2 HIS 81 1HB HIS 81 27.784 -4.420 -4.914 646 HB3 HIS 81 2HB HIS 81 28.917 -4.420 -6.257 647 HD2 HIS 81 HD2 HIS 81 26.455 -6.910 -4.705 648 HE1 HIS 81 HE1 HIS 81 29.534 -9.203 -6.523 649 H ARG 82 H ARG 82 30.162 -2.834 -2.440 650 HA ARG 82 HA ARG 82 30.960 -0.625 -4.228 651 HB2 ARG 82 1HB ARG 82 29.585 -0.127 -2.248 652 HB3 ARG 82 2HB ARG 82 30.821 -0.804 -1.197 653 HG2 ARG 82 1HG ARG 82 32.355 0.966 -1.737 654 HG3 ARG 82 2HG ARG 82 31.261 1.591 -2.996 655 HD2 ARG 82 1HD ARG 82 31.058 2.941 -1.049 656 HD3 ARG 82 2HD ARG 82 29.569 1.986 -1.240 657 HE ARG 82 HE ARG 82 30.052 0.847 0.705 658 HH11 ARG 82 1HH1 ARG 82 32.831 2.763 -0.266 659 HH12 ARG 82 2HH1 ARG 82 33.679 2.529 1.246 660 HH21 ARG 82 1HH2 ARG 82 31.162 0.550 2.663 661 HH22 ARG 82 2HH2 ARG 82 32.736 1.276 2.905 662 H SER 83 H SER 83 32.381 -2.700 -1.695 663 HA SER 83 HA SER 83 35.039 -1.571 -2.060 664 HB2 SER 83 1HB SER 83 35.752 -3.238 -0.478 665 HB3 SER 83 2HB SER 83 34.228 -2.566 0.082 666 HG SER 83 HG SER 83 33.708 -4.576 -1.537 667 H THR 84 H THR 84 33.157 -4.049 -3.569 668 HA THR 84 HA THR 84 35.530 -4.731 -5.235 669 HB THR 84 HB THR 84 33.509 -6.751 -4.169 670 HG1 THR 84 HG1 THR 84 36.006 -5.894 -3.329 671 HG21 THR 84 1HG2 THR 84 34.937 -8.408 -5.303 672 HG22 THR 84 2HG2 THR 84 34.263 -7.246 -6.470 673 HG23 THR 84 3HG2 THR 84 35.955 -7.098 -5.945 674 H SER 85 H SER 85 35.173 -4.988 -7.380 675 HA SER 85 HA SER 85 32.992 -3.807 -8.653 676 HB2 SER 85 1HB SER 85 34.982 -4.313 -9.888 677 HB3 SER 85 2HB SER 85 34.838 -6.032 -9.553 678 HG SER 85 HG SER 85 33.870 -6.045 -11.363 679 H VAL 86 H VAL 86 31.213 -4.655 -9.851 680 HA VAL 86 HA VAL 86 29.725 -6.671 -8.402 681 HB VAL 86 HB VAL 86 27.975 -6.282 -10.049 682 HG11 VAL 86 1HG1 VAL 86 27.705 -3.859 -9.846 683 HG12 VAL 86 2HG1 VAL 86 28.253 -4.597 -8.322 684 HG13 VAL 86 3HG1 VAL 86 29.407 -3.712 -9.349 685 HG21 VAL 86 1HG2 VAL 86 28.379 -4.845 -12.022 686 HG22 VAL 86 2HG2 VAL 86 30.102 -4.736 -11.586 687 HG23 VAL 86 3HG2 VAL 86 29.401 -6.301 -12.066 688 H SER 87 H SER 87 32.049 -6.778 -10.913 689 HA SER 87 HA SER 87 31.592 -9.595 -11.460 690 HB2 SER 87 1HB SER 87 29.802 -8.730 -12.834 691 HB3 SER 87 2HB SER 87 30.855 -7.514 -13.538 692 HG SER 87 HG SER 87 30.590 -10.168 -14.082 693 H ARG 88 H ARG 88 33.204 -10.533 -12.792 694 HA ARG 88 HA ARG 88 35.713 -9.044 -12.891 695 HB2 ARG 88 1HB ARG 88 34.929 -11.802 -13.886 696 HB3 ARG 88 2HB ARG 88 36.553 -11.143 -14.013 697 HG2 ARG 88 1HG ARG 88 36.702 -10.992 -11.570 698 HG3 ARG 88 2HG ARG 88 35.049 -11.638 -11.431 699 HD2 ARG 88 1HD ARG 88 35.756 -13.680 -12.534 700 HD3 ARG 88 2HD ARG 88 37.407 -13.034 -12.676 701 HE ARG 88 HE ARG 88 36.683 -12.893 -9.973 702 HH11 ARG 88 1HH1 ARG 88 37.220 -15.347 -12.429 703 HH12 ARG 88 2HH1 ARG 88 37.745 -16.560 -11.282 704 HH21 ARG 88 1HH2 ARG 88 37.366 -14.476 -8.493 705 HH22 ARG 88 2HH2 ARG 88 37.827 -16.067 -9.054 706 H ASN 89 H ASN 89 33.007 -9.428 -14.938 707 HA ASN 89 HA ASN 89 34.644 -8.678 -17.325 708 HB2 ASN 89 1HB ASN 89 31.986 -10.138 -17.170 709 HB3 ASN 89 2HB ASN 89 32.742 -9.599 -18.663 710 HD21 ASN 89 1HD2 ASN 89 33.801 -13.069 -16.971 711 HD22 ASN 89 2HD2 ASN 89 32.478 -12.092 -16.426 712 H GLN 90 H GLN 90 31.662 -8.040 -15.520 713 HA GLN 90 HA GLN 90 31.104 -5.720 -17.275 714 HB2 GLN 90 1HB GLN 90 29.492 -6.848 -14.951 715 HB3 GLN 90 2HB GLN 90 28.968 -5.583 -16.053 716 HG2 GLN 90 1HG GLN 90 29.011 -7.153 -17.921 717 HG3 GLN 90 2HG GLN 90 29.587 -8.441 -16.827 718 HE21 GLN 90 1HE2 GLN 90 26.182 -9.349 -16.737 719 HE22 GLN 90 2HE2 GLN 90 27.730 -9.684 -17.438 720 H GLN 91 H GLN 91 32.408 -4.039 -16.795 721 HA GLN 91 HA GLN 91 33.548 -3.861 -14.126 722 HB2 GLN 91 1HB GLN 91 33.851 -2.022 -16.535 723 HB3 GLN 91 2HB GLN 91 34.821 -1.946 -15.071 724 HG2 GLN 91 1HG GLN 91 34.691 -4.344 -16.909 725 HG3 GLN 91 2HG GLN 91 35.948 -3.076 -16.955 726 HE21 GLN 91 1HE2 GLN 91 36.389 -6.222 -14.557 727 HE22 GLN 91 2HE2 GLN 91 35.290 -6.129 -15.892 728 H ILE 92 H ILE 92 31.402 -3.554 -13.080 729 HA ILE 92 HA ILE 92 30.898 -0.613 -12.897 730 HB ILE 92 HB ILE 92 28.934 -2.838 -12.211 731 HG12 ILE 92 1HG1 ILE 92 29.525 -2.608 -14.669 732 HG13 ILE 92 2HG1 ILE 92 27.827 -2.480 -14.238 733 HG21 ILE 92 1HG2 ILE 92 27.312 -0.989 -12.100 734 HG22 ILE 92 2HG2 ILE 92 28.629 -0.755 -10.928 735 HG23 ILE 92 3HG2 ILE 92 28.612 0.177 -12.444 736 HD11 ILE 92 1HD1 ILE 92 28.438 -0.814 -15.899 737 HD12 ILE 92 2HD1 ILE 92 27.964 -0.031 -14.372 738 HD13 ILE 92 3HD1 ILE 92 29.683 -0.160 -14.810 739 H PHE 93 H PHE 93 31.213 0.353 -10.970 740 HA PHE 93 HA PHE 93 31.140 -1.415 -8.559 741 HB2 PHE 93 1HB PHE 93 32.531 1.239 -9.053 742 HB3 PHE 93 2HB PHE 93 32.246 0.622 -7.432 743 HD1 PHE 93 HD1 PHE 93 33.899 -0.161 -10.664 744 HD2 PHE 93 HD2 PHE 93 33.660 -0.991 -6.480 745 HE1 PHE 93 HE1 PHE 93 35.969 -1.505 -10.815 746 HE2 PHE 93 HE2 PHE 93 35.731 -2.334 -6.626 747 HZ PHE 93 HZ PHE 93 36.884 -2.591 -8.795 748 H LEU 94 H LEU 94 29.868 -0.843 -6.811 749 HA LEU 94 HA LEU 94 27.917 1.358 -7.325 750 HB2 LEU 94 1HB LEU 94 27.677 -0.985 -5.406 751 HB3 LEU 94 2HB LEU 94 26.435 0.224 -5.749 752 HG LEU 94 HG LEU 94 27.448 -1.965 -7.584 753 HD11 LEU 94 1HD1 LEU 94 25.087 -2.633 -7.541 754 HD12 LEU 94 2HD1 LEU 94 25.794 -2.614 -5.909 755 HD13 LEU 94 3HD1 LEU 94 24.727 -1.290 -6.433 756 HD21 LEU 94 1HD2 LEU 94 25.915 -1.017 -9.275 757 HD22 LEU 94 2HD2 LEU 94 25.565 0.351 -8.190 758 HD23 LEU 94 3HD2 LEU 94 27.202 0.140 -8.858 759 H ARG 95 H ARG 95 28.568 3.178 -6.396 760 HA ARG 95 HA ARG 95 29.789 2.981 -3.674 761 HB2 ARG 95 1HB ARG 95 30.573 4.847 -5.939 762 HB3 ARG 95 2HB ARG 95 31.206 4.927 -4.302 763 HG2 ARG 95 1HG ARG 95 32.268 2.766 -4.544 764 HG3 ARG 95 2HG ARG 95 31.522 2.544 -6.145 765 HD2 ARG 95 1HD ARG 95 32.722 4.505 -6.958 766 HD3 ARG 95 2HD ARG 95 33.489 4.684 -5.363 767 HE ARG 95 HE ARG 95 34.288 2.254 -5.862 768 HH11 ARG 95 1HH1 ARG 95 33.937 4.853 -8.198 769 HH12 ARG 95 2HH1 ARG 95 35.201 4.250 -9.246 770 HH21 ARG 95 1HH2 ARG 95 35.927 1.481 -7.230 771 HH22 ARG 95 2HH2 ARG 95 36.327 2.342 -8.699 772 H ASP 96 H ASP 96 29.643 4.956 -2.387 773 HA ASP 96 HA ASP 96 27.008 6.237 -2.771 774 HB2 ASP 96 1HB ASP 96 28.994 6.248 -0.468 775 HB3 ASP 96 2HB ASP 96 27.523 7.211 -0.475 Start of MODEL 3 1 H1 MET 1 1H MET 1 -1.832 3.116 -2.496 2 H2 MET 1 2H MET 1 -1.321 4.490 -1.776 3 H3 MET 1 3H MET 1 -0.930 4.190 -3.332 4 HA MET 1 HA MET 1 -0.043 2.680 -1.007 5 HB2 MET 1 1HB MET 1 -0.362 1.258 -3.002 6 HB3 MET 1 2HB MET 1 0.616 2.359 -3.962 7 HG2 MET 1 1HG MET 1 2.590 1.827 -2.631 8 HG3 MET 1 2HG MET 1 1.627 0.803 -1.563 9 HE1 MET 1 1HE MET 1 3.929 -1.654 -3.681 10 HE2 MET 1 2HE MET 1 4.339 0.019 -3.226 11 HE3 MET 1 3HE MET 1 3.549 -1.057 -2.047 12 H LYS 2 H LYS 2 1.047 4.173 0.113 13 HA LYS 2 HA LYS 2 2.622 6.260 -1.033 14 HB2 LYS 2 1HB LYS 2 1.834 6.231 1.330 15 HB3 LYS 2 2HB LYS 2 2.926 4.898 1.674 16 HG2 LYS 2 1HG LYS 2 4.861 6.326 1.174 17 HG3 LYS 2 2HG LYS 2 3.778 7.667 0.778 18 HD2 LYS 2 1HD LYS 2 2.886 7.640 3.080 19 HD3 LYS 2 2HD LYS 2 3.942 6.278 3.479 20 HE2 LYS 2 1HE LYS 2 5.926 7.672 3.001 21 HE3 LYS 2 2HE LYS 2 4.878 9.031 2.588 22 HZ1 LYS 2 1HZ LYS 2 5.682 9.185 4.828 23 HZ2 LYS 2 2HZ LYS 2 4.043 8.995 4.837 24 HZ3 LYS 2 3HZ LYS 2 5.023 7.726 5.223 25 HA PRO 3 HA PRO 3 5.954 3.849 -2.470 26 HB2 PRO 3 1HB PRO 3 7.557 5.874 -3.379 27 HB3 PRO 3 2HB PRO 3 6.056 5.430 -4.200 28 HG2 PRO 3 1HG PRO 3 6.537 7.661 -2.177 29 HG3 PRO 3 2HG PRO 3 5.721 7.762 -3.740 30 HD2 PRO 3 1HD PRO 3 4.311 7.486 -1.427 31 HD3 PRO 3 2HD PRO 3 3.766 6.698 -2.961 32 H HIS 4 H HIS 4 8.462 3.910 -2.241 33 HA HIS 4 HA HIS 4 9.083 3.803 0.566 34 HB2 HIS 4 1HB HIS 4 10.790 3.643 -1.935 35 HB3 HIS 4 2HB HIS 4 11.474 3.535 -0.319 36 HD2 HIS 4 HD2 HIS 4 9.812 1.274 -2.915 37 HE1 HIS 4 HE1 HIS 4 9.914 -0.908 0.744 38 HA PRO 5 HA PRO 5 10.402 7.974 1.152 39 HB2 PRO 5 1HB PRO 5 11.329 7.730 3.701 40 HB3 PRO 5 2HB PRO 5 9.597 7.694 3.347 41 HG2 PRO 5 1HG PRO 5 11.502 5.364 3.809 42 HG3 PRO 5 2HG PRO 5 9.899 5.622 4.501 43 HD2 PRO 5 1HD PRO 5 10.312 4.030 2.296 44 HD3 PRO 5 2HD PRO 5 8.782 4.962 2.548 45 H TRP 6 H TRP 6 12.209 5.094 0.953 46 HA TRP 6 HA TRP 6 14.829 6.026 1.623 47 HB2 TRP 6 1HB TRP 6 13.930 3.834 -0.288 48 HB3 TRP 6 2HB TRP 6 15.596 4.092 0.211 49 HD1 TRP 6 HD1 TRP 6 12.517 2.263 1.201 50 HE1 TRP 6 HE1 TRP 6 12.801 1.168 3.525 51 HE3 TRP 6 HE3 TRP 6 16.789 4.676 2.692 52 HZ2 TRP 6 HZ2 TRP 6 14.612 1.322 5.686 53 HZ3 TRP 6 HZ3 TRP 6 17.746 4.158 4.902 54 HH2 TRP 6 HH2 TRP 6 16.681 2.505 6.379 55 H PHE 7 H PHE 7 16.444 6.941 0.455 56 HA PHE 7 HA PHE 7 17.279 8.451 -1.083 57 HB2 PHE 7 1HB PHE 7 16.263 6.114 -2.632 58 HB3 PHE 7 2HB PHE 7 16.604 7.561 -3.568 59 HD1 PHE 7 HD1 PHE 7 18.063 5.016 -1.331 60 HD2 PHE 7 HD2 PHE 7 18.839 8.302 -3.948 61 HE1 PHE 7 HE1 PHE 7 20.469 4.445 -1.332 62 HE2 PHE 7 HE2 PHE 7 21.245 7.733 -3.954 63 HZ PHE 7 HZ PHE 7 22.060 5.804 -2.644 64 H PHE 8 H PHE 8 14.936 7.794 -3.526 65 HA PHE 8 HA PHE 8 13.726 10.476 -3.005 66 HB2 PHE 8 1HB PHE 8 14.807 9.382 -5.631 67 HB3 PHE 8 2HB PHE 8 13.800 10.816 -5.512 68 HD1 PHE 8 HD1 PHE 8 17.057 9.361 -4.514 69 HD2 PHE 8 HD2 PHE 8 14.704 12.907 -4.888 70 HE1 PHE 8 HE1 PHE 8 19.069 10.737 -4.103 71 HE2 PHE 8 HE2 PHE 8 16.714 14.286 -4.481 72 HZ PHE 8 HZ PHE 8 18.897 13.200 -4.086 73 H GLY 9 H GLY 9 12.897 7.520 -2.739 74 HA2 GLY 9 1HA GLY 9 11.038 6.202 -3.172 75 HA3 GLY 9 2HA GLY 9 10.169 7.711 -3.380 76 H LYS 10 H LYS 10 9.005 7.552 -5.194 77 HA LYS 10 HA LYS 10 10.040 6.131 -7.542 78 HB2 LYS 10 1HB LYS 10 7.469 7.676 -7.031 79 HB3 LYS 10 2HB LYS 10 7.851 6.911 -8.567 80 HG2 LYS 10 1HG LYS 10 7.878 4.714 -7.530 81 HG3 LYS 10 2HG LYS 10 7.654 5.432 -5.927 82 HD2 LYS 10 1HD LYS 10 5.458 6.284 -6.566 83 HD3 LYS 10 2HD LYS 10 5.685 5.717 -8.227 84 HE2 LYS 10 1HE LYS 10 5.733 3.396 -7.476 85 HE3 LYS 10 2HE LYS 10 5.651 3.905 -5.787 86 HZ1 LYS 10 1HZ LYS 10 3.516 3.233 -6.609 87 HZ2 LYS 10 2HZ LYS 10 3.487 4.839 -6.233 88 HZ3 LYS 10 3HZ LYS 10 3.562 4.362 -7.810 89 H ILE 11 H ILE 11 11.903 7.922 -7.183 90 HA ILE 11 HA ILE 11 11.525 10.300 -8.767 91 HB ILE 11 HB ILE 11 13.486 9.745 -7.173 92 HG12 ILE 11 1HG1 ILE 11 14.033 10.880 -9.927 93 HG13 ILE 11 2HG1 ILE 11 13.376 11.758 -8.554 94 HG21 ILE 11 1HG2 ILE 11 15.425 8.675 -8.248 95 HG22 ILE 11 2HG2 ILE 11 14.046 7.554 -8.152 96 HG23 ILE 11 3HG2 ILE 11 14.444 8.344 -9.696 97 HD11 ILE 11 1HD1 ILE 11 15.746 12.222 -8.839 98 HD12 ILE 11 2HD1 ILE 11 15.455 11.378 -7.300 99 HD13 ILE 11 3HD1 ILE 11 16.121 10.490 -8.690 100 HA PRO 12 HA PRO 12 11.548 8.523 -12.825 101 HB2 PRO 12 1HB PRO 12 12.171 10.780 -14.237 102 HB3 PRO 12 2HB PRO 12 10.571 10.540 -13.524 103 HG2 PRO 12 1HG PRO 12 12.951 12.080 -12.385 104 HG3 PRO 12 2HG PRO 12 11.288 12.642 -12.584 105 HD2 PRO 12 1HD PRO 12 12.130 11.694 -10.197 106 HD3 PRO 12 2HD PRO 12 10.465 11.317 -10.799 107 H ARG 13 H ARG 13 13.144 7.670 -14.130 108 HA ARG 13 HA ARG 13 15.865 7.662 -13.405 109 HB2 ARG 13 1HB ARG 13 14.623 6.115 -15.031 110 HB3 ARG 13 2HB ARG 13 14.869 7.358 -16.249 111 HG2 ARG 13 1HG ARG 13 17.346 6.660 -14.859 112 HG3 ARG 13 2HG ARG 13 16.578 5.275 -15.673 113 HD2 ARG 13 1HD ARG 13 17.342 7.918 -16.888 114 HD3 ARG 13 2HD ARG 13 18.086 6.329 -17.181 115 HE ARG 13 HE ARG 13 15.380 6.070 -17.806 116 HH11 ARG 13 1HH1 ARG 13 18.134 7.945 -18.921 117 HH12 ARG 13 2HH1 ARG 13 17.547 8.061 -20.564 118 HH21 ARG 13 1HH2 ARG 13 14.630 6.228 -19.944 119 HH22 ARG 13 2HH2 ARG 13 15.565 7.090 -21.145 120 H ALA 14 H ALA 14 14.094 9.802 -15.623 121 HA ALA 14 HA ALA 14 16.015 11.387 -16.722 122 HB1 ALA 14 1HB ALA 14 14.526 13.328 -16.355 123 HB2 ALA 14 2HB ALA 14 13.616 11.887 -16.867 124 HB3 ALA 14 3HB ALA 14 13.606 12.386 -15.159 125 H LYS 15 H LYS 15 14.848 11.923 -13.364 126 HA LYS 15 HA LYS 15 16.727 14.097 -13.045 127 HB2 LYS 15 1HB LYS 15 14.409 13.767 -11.919 128 HB3 LYS 15 2HB LYS 15 15.250 12.717 -10.787 129 HG2 LYS 15 1HG LYS 15 15.111 14.864 -9.782 130 HG3 LYS 15 2HG LYS 15 16.797 14.643 -10.272 131 HD2 LYS 15 1HD LYS 15 16.299 15.932 -12.371 132 HD3 LYS 15 2HD LYS 15 14.673 16.245 -11.743 133 HE2 LYS 15 1HE LYS 15 15.590 17.433 -9.823 134 HE3 LYS 15 2HE LYS 15 17.237 17.019 -10.306 135 HZ1 LYS 15 1HZ LYS 15 16.659 19.238 -10.960 136 HZ2 LYS 15 2HZ LYS 15 16.916 18.313 -12.301 137 HZ3 LYS 15 3HZ LYS 15 15.378 18.702 -11.850 138 H ALA 16 H ALA 16 16.641 10.709 -12.040 139 HA ALA 16 HA ALA 16 18.696 10.899 -10.076 140 HB1 ALA 16 1HB ALA 16 18.848 8.441 -10.302 141 HB2 ALA 16 2HB ALA 16 17.158 8.991 -10.203 142 HB3 ALA 16 3HB ALA 16 17.851 8.523 -11.773 143 H GLU 17 H GLU 17 18.800 10.209 -13.557 144 HA GLU 17 HA GLU 17 21.659 9.780 -13.610 145 HB2 GLU 17 1HB GLU 17 19.699 10.524 -15.820 146 HB3 GLU 17 2HB GLU 17 21.380 10.083 -16.086 147 HG2 GLU 17 1HG GLU 17 20.863 7.875 -14.950 148 HG3 GLU 17 2HG GLU 17 19.163 8.337 -15.015 149 H GLU 18 H GLU 18 19.539 12.576 -14.174 150 HA GLU 18 HA GLU 18 21.487 14.432 -15.011 151 HB2 GLU 18 1HB GLU 18 19.049 14.887 -14.983 152 HB3 GLU 18 2HB GLU 18 19.066 14.910 -13.225 153 HG2 GLU 18 1HG GLU 18 20.553 16.865 -13.255 154 HG3 GLU 18 2HG GLU 18 20.561 16.836 -15.017 155 H MET 19 H MET 19 20.641 13.321 -11.753 156 HA MET 19 HA MET 19 22.324 15.167 -10.349 157 HB2 MET 19 1HB MET 19 21.246 12.416 -9.647 158 HB3 MET 19 2HB MET 19 22.220 13.361 -8.531 159 HG2 MET 19 1HG MET 19 20.528 15.185 -8.647 160 HG3 MET 19 2HG MET 19 19.537 14.163 -9.692 161 HE1 MET 19 1HE MET 19 17.273 12.677 -7.206 162 HE2 MET 19 2HE MET 19 17.420 14.116 -8.247 163 HE3 MET 19 3HE MET 19 17.851 12.510 -8.882 164 H LEU 20 H LEU 20 22.891 11.801 -11.428 165 HA LEU 20 HA LEU 20 25.432 11.618 -10.129 166 HB2 LEU 20 1HB LEU 20 24.342 10.029 -12.480 167 HB3 LEU 20 2HB LEU 20 25.735 9.578 -11.491 168 HG LEU 20 HG LEU 20 22.903 9.844 -10.424 169 HD11 LEU 20 1HD1 LEU 20 22.883 7.389 -10.460 170 HD12 LEU 20 2HD1 LEU 20 23.045 8.069 -12.096 171 HD13 LEU 20 3HD1 LEU 20 24.467 7.386 -11.269 172 HD21 LEU 20 1HD2 LEU 20 23.855 8.619 -8.500 173 HD22 LEU 20 2HD2 LEU 20 25.456 8.634 -9.281 174 HD23 LEU 20 3HD2 LEU 20 24.705 10.162 -8.761 175 H SER 21 H SER 21 24.445 12.669 -13.343 176 HA SER 21 HA SER 21 27.140 12.630 -14.428 177 HB2 SER 21 1HB SER 21 26.167 13.650 -16.373 178 HB3 SER 21 2HB SER 21 25.062 12.409 -15.802 179 HG SER 21 HG SER 21 24.252 14.385 -14.523 180 H LYS 22 H LYS 22 25.476 14.699 -12.314 181 HA LYS 22 HA LYS 22 27.335 16.939 -12.918 182 HB2 LYS 22 1HB LYS 22 24.959 16.713 -11.031 183 HB3 LYS 22 2HB LYS 22 26.014 18.118 -11.102 184 HG2 LYS 22 1HG LYS 22 25.395 18.470 -13.465 185 HG3 LYS 22 2HG LYS 22 24.332 17.057 -13.392 186 HD2 LYS 22 1HD LYS 22 23.020 18.149 -11.589 187 HD3 LYS 22 2HD LYS 22 24.074 19.567 -11.693 188 HE2 LYS 22 1HE LYS 22 23.398 19.907 -14.043 189 HE3 LYS 22 2HE LYS 22 22.359 18.483 -13.958 190 HZ1 LYS 22 1HZ LYS 22 21.125 20.496 -13.626 191 HZ2 LYS 22 2HZ LYS 22 21.084 19.587 -12.251 192 HZ3 LYS 22 3HZ LYS 22 22.054 20.919 -12.331 193 H GLN 23 H GLN 23 26.745 14.357 -10.643 194 HA GLN 23 HA GLN 23 28.610 15.238 -8.640 195 HB2 GLN 23 1HB GLN 23 27.649 12.456 -9.412 196 HB3 GLN 23 2HB GLN 23 28.660 12.792 -8.014 197 HG2 GLN 23 1HG GLN 23 25.907 13.959 -8.474 198 HG3 GLN 23 2HG GLN 23 26.281 12.546 -7.448 199 HE21 GLN 23 1HE2 GLN 23 26.235 16.072 -5.749 200 HE22 GLN 23 2HE2 GLN 23 25.334 15.552 -7.135 201 H ARG 24 H ARG 24 28.929 13.473 -11.678 202 HA ARG 24 HA ARG 24 30.783 12.811 -12.867 203 HB2 ARG 24 1HB ARG 24 32.416 14.703 -11.161 204 HB3 ARG 24 2HB ARG 24 32.728 14.187 -12.811 205 HG2 ARG 24 1HG ARG 24 30.485 16.002 -11.893 206 HG3 ARG 24 2HG ARG 24 31.953 16.471 -12.786 207 HD2 ARG 24 1HD ARG 24 29.874 14.544 -13.794 208 HD3 ARG 24 2HD ARG 24 29.936 16.278 -14.187 209 HE ARG 24 HE ARG 24 32.453 15.175 -14.772 210 HH11 ARG 24 1HH1 ARG 24 29.127 14.922 -15.875 211 HH12 ARG 24 2HH1 ARG 24 29.571 14.506 -17.515 212 HH21 ARG 24 1HH2 ARG 24 33.017 14.634 -16.904 213 HH22 ARG 24 2HH2 ARG 24 31.772 14.342 -18.099 214 H HIS 25 H HIS 25 30.066 11.454 -10.353 215 HA HIS 25 HA HIS 25 32.758 10.350 -9.632 216 HB2 HIS 25 1HB HIS 25 31.658 11.319 -7.690 217 HB3 HIS 25 2HB HIS 25 30.176 10.439 -8.034 218 HD2 HIS 25 HD2 HIS 25 30.327 8.916 -5.548 219 HE1 HIS 25 HE1 HIS 25 33.923 6.946 -6.660 220 H ASP 26 H ASP 26 32.898 8.894 -11.326 221 HA ASP 26 HA ASP 26 30.938 6.955 -11.987 222 HB2 ASP 26 1HB ASP 26 33.967 6.956 -12.145 223 HB3 ASP 26 2HB ASP 26 33.021 5.566 -12.661 224 H GLY 27 H GLY 27 30.378 4.993 -11.207 225 HA2 GLY 27 1HA GLY 27 30.659 3.123 -9.669 226 HA3 GLY 27 2HA GLY 27 31.642 4.144 -8.637 227 H ALA 28 H ALA 28 29.728 6.444 -9.051 228 HA ALA 28 HA ALA 28 28.103 5.953 -6.740 229 HB1 ALA 28 1HB ALA 28 27.110 8.162 -7.249 230 HB2 ALA 28 2HB ALA 28 28.888 8.202 -7.337 231 HB3 ALA 28 3HB ALA 28 27.923 8.154 -8.831 232 H PHE 29 H PHE 29 25.769 6.117 -6.605 233 HA PHE 29 HA PHE 29 24.290 5.278 -9.017 234 HB2 PHE 29 1HB PHE 29 23.358 3.275 -7.923 235 HB3 PHE 29 2HB PHE 29 25.099 3.142 -8.114 236 HD1 PHE 29 HD1 PHE 29 22.378 3.726 -5.693 237 HD2 PHE 29 HD2 PHE 29 26.554 3.002 -6.229 238 HE1 PHE 29 HE1 PHE 29 22.605 3.257 -3.277 239 HE2 PHE 29 HE2 PHE 29 26.785 2.529 -3.813 240 HZ PHE 29 HZ PHE 29 24.809 2.658 -2.337 241 H LEU 30 H LEU 30 21.977 5.328 -8.747 242 HA LEU 30 HA LEU 30 21.066 6.504 -6.160 243 HB2 LEU 30 1HB LEU 30 21.078 8.088 -8.204 244 HB3 LEU 30 2HB LEU 30 19.745 7.104 -8.816 245 HG LEU 30 HG LEU 30 19.495 8.225 -6.048 246 HD11 LEU 30 1HD1 LEU 30 18.679 10.355 -6.955 247 HD12 LEU 30 2HD1 LEU 30 20.400 10.099 -7.326 248 HD13 LEU 30 3HD1 LEU 30 19.170 9.849 -8.588 249 HD21 LEU 30 1HD2 LEU 30 17.138 8.382 -6.777 250 HD22 LEU 30 2HD2 LEU 30 17.606 7.847 -8.409 251 HD23 LEU 30 3HD2 LEU 30 17.777 6.739 -7.027 252 H ILE 31 H ILE 31 19.958 5.005 -5.126 253 HA ILE 31 HA ILE 31 18.460 2.963 -6.624 254 HB ILE 31 HB ILE 31 19.006 3.401 -3.666 255 HG12 ILE 31 1HG1 ILE 31 19.730 1.036 -5.390 256 HG13 ILE 31 2HG1 ILE 31 20.755 2.460 -5.292 257 HG21 ILE 31 1HG2 ILE 31 17.805 1.289 -3.266 258 HG22 ILE 31 2HG2 ILE 31 16.715 2.529 -3.927 259 HG23 ILE 31 3HG2 ILE 31 17.327 1.232 -4.979 260 HD11 ILE 31 1HD1 ILE 31 21.502 0.734 -3.750 261 HD12 ILE 31 2HD1 ILE 31 20.946 2.171 -2.859 262 HD13 ILE 31 3HD1 ILE 31 19.910 0.727 -2.958 263 H ARG 32 H ARG 32 16.312 2.828 -6.865 264 HA ARG 32 HA ARG 32 14.586 4.795 -5.484 265 HB2 ARG 32 1HB ARG 32 13.708 5.737 -7.515 266 HB3 ARG 32 2HB ARG 32 15.455 5.927 -7.537 267 HG2 ARG 32 1HG ARG 32 15.535 3.829 -8.980 268 HG3 ARG 32 2HG ARG 32 13.771 4.002 -9.135 269 HD2 ARG 32 1HD ARG 32 14.070 6.239 -10.027 270 HD3 ARG 32 2HD ARG 32 15.833 6.064 -9.875 271 HE ARG 32 HE ARG 32 15.860 4.671 -11.719 272 HH11 ARG 32 1HH1 ARG 32 12.548 5.328 -10.750 273 HH12 ARG 32 2HH1 ARG 32 11.856 4.672 -12.216 274 HH21 ARG 32 1HH2 ARG 32 14.950 3.820 -13.617 275 HH22 ARG 32 2HH2 ARG 32 13.215 3.818 -13.839 276 H GLU 33 H GLU 33 12.275 4.461 -5.977 277 HA GLU 33 HA GLU 33 11.683 1.592 -6.127 278 HB2 GLU 33 1HB GLU 33 10.529 3.048 -4.483 279 HB3 GLU 33 2HB GLU 33 9.842 3.996 -5.795 280 HG2 GLU 33 1HG GLU 33 8.526 2.127 -6.550 281 HG3 GLU 33 2HG GLU 33 9.330 1.040 -5.421 282 H SER 34 H SER 34 10.624 0.514 -7.703 283 HA SER 34 HA SER 34 10.675 1.778 -10.347 284 HB2 SER 34 1HB SER 34 11.482 -0.516 -10.066 285 HB3 SER 34 2HB SER 34 9.916 -1.020 -9.446 286 HG SER 34 HG SER 34 10.720 -0.910 -11.915 287 H GLU 35 H GLU 35 9.059 2.960 -11.062 288 HA GLU 35 HA GLU 35 6.502 3.059 -9.811 289 HB2 GLU 35 1HB GLU 35 7.438 4.021 -12.541 290 HB3 GLU 35 2HB GLU 35 5.847 4.372 -11.882 291 HG2 GLU 35 1HG GLU 35 6.934 5.501 -9.950 292 HG3 GLU 35 2HG GLU 35 8.501 5.215 -10.701 293 H SER 36 H SER 36 7.740 1.191 -12.523 294 HA SER 36 HA SER 36 5.091 0.304 -13.368 295 HB2 SER 36 1HB SER 36 6.274 -1.073 -14.952 296 HB3 SER 36 2HB SER 36 7.027 0.514 -14.924 297 HG SER 36 HG SER 36 7.970 -1.408 -13.173 298 H ALA 37 H ALA 37 7.136 -0.478 -10.811 299 HA ALA 37 HA ALA 37 5.520 -2.868 -10.238 300 HB1 ALA 37 1HB ALA 37 7.502 -4.270 -9.766 301 HB2 ALA 37 2HB ALA 37 7.419 -3.803 -11.482 302 HB3 ALA 37 3HB ALA 37 8.555 -2.979 -10.388 303 HA PRO 38 HA PRO 38 6.378 0.168 -6.885 304 HB2 PRO 38 1HB PRO 38 3.633 -0.946 -6.152 305 HB3 PRO 38 2HB PRO 38 4.237 0.708 -5.983 306 HG2 PRO 38 1HG PRO 38 2.653 0.159 -8.045 307 HG3 PRO 38 2HG PRO 38 4.087 1.152 -8.319 308 HD2 PRO 38 1HD PRO 38 3.650 -1.795 -8.916 309 HD3 PRO 38 2HD PRO 38 4.520 -0.546 -9.896 310 H GLY 39 H GLY 39 7.173 -0.268 -4.852 311 HA2 GLY 39 1HA GLY 39 7.397 -1.617 -2.854 312 HA3 GLY 39 2HA GLY 39 6.793 -3.006 -3.737 313 H ASP 40 H ASP 40 8.414 -2.624 -6.104 314 HA ASP 40 HA ASP 40 10.930 -3.749 -5.053 315 HB2 ASP 40 1HB ASP 40 9.741 -3.538 -7.842 316 HB3 ASP 40 2HB ASP 40 11.372 -4.128 -7.551 317 H PHE 41 H PHE 41 13.008 -3.110 -5.960 318 HA PHE 41 HA PHE 41 13.093 -0.138 -6.218 319 HB2 PHE 41 1HB PHE 41 14.989 -2.164 -5.018 320 HB3 PHE 41 2HB PHE 41 15.585 -0.598 -5.542 321 HD1 PHE 41 HD1 PHE 41 15.098 -2.101 -2.705 322 HD2 PHE 41 HD2 PHE 41 13.334 1.174 -4.806 323 HE1 PHE 41 HE1 PHE 41 14.381 -1.111 -0.557 324 HE2 PHE 41 HE2 PHE 41 12.618 2.168 -2.659 325 HZ PHE 41 HZ PHE 41 13.140 1.024 -0.533 326 H SER 42 H SER 42 14.401 0.852 -7.784 327 HA SER 42 HA SER 42 15.931 -1.018 -9.545 328 HB2 SER 42 1HB SER 42 14.940 1.806 -10.043 329 HB3 SER 42 2HB SER 42 16.053 0.959 -11.107 330 HG SER 42 HG SER 42 14.446 0.003 -11.913 331 H LEU 43 H LEU 43 18.088 -0.531 -10.056 332 HA LEU 43 HA LEU 43 19.350 1.529 -8.295 333 HB2 LEU 43 1HB LEU 43 19.793 -1.036 -7.889 334 HB3 LEU 43 2HB LEU 43 20.851 -0.883 -9.296 335 HG LEU 43 HG LEU 43 21.221 1.086 -7.071 336 HD11 LEU 43 1HD1 LEU 43 22.610 -0.514 -5.833 337 HD12 LEU 43 2HD1 LEU 43 20.906 -1.022 -5.881 338 HD13 LEU 43 3HD1 LEU 43 22.100 -1.812 -6.938 339 HD21 LEU 43 1HD2 LEU 43 23.576 0.780 -7.756 340 HD22 LEU 43 2HD2 LEU 43 23.081 -0.501 -8.888 341 HD23 LEU 43 3HD2 LEU 43 22.549 1.177 -9.155 342 H SER 44 H SER 44 19.840 3.213 -9.520 343 HA SER 44 HA SER 44 20.826 2.737 -12.283 344 HB2 SER 44 1HB SER 44 19.882 5.228 -10.833 345 HB3 SER 44 2HB SER 44 20.594 5.258 -12.439 346 HG SER 44 HG SER 44 18.958 4.098 -13.218 347 H VAL 45 H VAL 45 22.934 2.456 -12.483 348 HA VAL 45 HA VAL 45 24.701 3.700 -10.435 349 HB VAL 45 HB VAL 45 24.747 1.213 -10.655 350 HG11 VAL 45 1HG1 VAL 45 25.718 0.188 -12.655 351 HG12 VAL 45 2HG1 VAL 45 24.195 1.038 -13.014 352 HG13 VAL 45 3HG1 VAL 45 25.754 1.779 -13.451 353 HG21 VAL 45 1HG2 VAL 45 27.206 1.010 -10.848 354 HG22 VAL 45 2HG2 VAL 45 27.281 2.628 -11.584 355 HG23 VAL 45 3HG2 VAL 45 26.751 2.442 -9.895 356 H LYS 46 H LYS 46 25.906 5.376 -10.976 357 HA LYS 46 HA LYS 46 26.407 5.974 -13.821 358 HB2 LYS 46 1HB LYS 46 25.915 7.946 -12.674 359 HB3 LYS 46 2HB LYS 46 26.766 7.446 -11.220 360 HG2 LYS 46 1HG LYS 46 28.146 9.102 -12.051 361 HG3 LYS 46 2HG LYS 46 28.913 7.641 -12.689 362 HD2 LYS 46 1HD LYS 46 28.179 8.036 -14.864 363 HD3 LYS 46 2HD LYS 46 26.804 9.018 -14.335 364 HE2 LYS 46 1HE LYS 46 28.547 10.403 -15.389 365 HE3 LYS 46 2HE LYS 46 28.314 10.842 -13.696 366 HZ1 LYS 46 1HZ LYS 46 30.628 10.696 -14.258 367 HZ2 LYS 46 2HZ LYS 46 30.250 9.533 -13.150 368 HZ3 LYS 46 3HZ LYS 46 30.470 9.125 -14.733 369 H PHE 47 H PHE 47 27.787 4.364 -14.506 370 HA PHE 47 HA PHE 47 30.579 4.826 -13.554 371 HB2 PHE 47 1HB PHE 47 29.524 2.533 -12.927 372 HB3 PHE 47 2HB PHE 47 29.639 2.157 -14.640 373 HD1 PHE 47 HD1 PHE 47 31.767 1.763 -15.700 374 HD2 PHE 47 HD2 PHE 47 31.540 2.836 -11.570 375 HE1 PHE 47 HE1 PHE 47 34.121 1.072 -15.392 376 HE2 PHE 47 HE2 PHE 47 33.895 2.149 -11.260 377 HZ PHE 47 HZ PHE 47 35.184 1.265 -13.172 378 H GLY 48 H GLY 48 31.939 5.476 -15.070 379 HA2 GLY 48 1HA GLY 48 33.037 5.437 -17.144 380 HA3 GLY 48 2HA GLY 48 31.803 4.359 -17.771 381 H ASN 49 H ASN 49 31.289 7.508 -16.196 382 HA ASN 49 HA ASN 49 30.253 9.426 -16.933 383 HB2 ASN 49 1HB ASN 49 32.329 9.224 -18.513 384 HB3 ASN 49 2HB ASN 49 31.145 8.801 -19.743 385 HD21 ASN 49 1HD2 ASN 49 30.859 12.185 -20.444 386 HD22 ASN 49 2HD2 ASN 49 31.293 10.597 -20.982 387 H ASP 50 H ASP 50 28.889 6.761 -17.080 388 HA ASP 50 HA ASP 50 26.463 7.939 -18.215 389 HB2 ASP 50 1HB ASP 50 27.807 6.505 -20.033 390 HB3 ASP 50 2HB ASP 50 27.043 5.159 -19.197 391 H VAL 51 H VAL 51 24.581 6.307 -17.948 392 HA VAL 51 HA VAL 51 24.951 5.037 -15.266 393 HB VAL 51 HB VAL 51 22.482 6.440 -16.377 394 HG11 VAL 51 1HG1 VAL 51 21.549 6.122 -14.137 395 HG12 VAL 51 2HG1 VAL 51 21.895 4.573 -14.940 396 HG13 VAL 51 3HG1 VAL 51 22.987 5.182 -13.673 397 HG21 VAL 51 1HG2 VAL 51 22.952 8.113 -14.616 398 HG22 VAL 51 2HG2 VAL 51 24.432 7.231 -14.174 399 HG23 VAL 51 3HG2 VAL 51 24.298 8.001 -15.773 400 H GLN 52 H GLN 52 24.552 2.933 -15.157 401 HA GLN 52 HA GLN 52 22.699 1.746 -17.170 402 HB2 GLN 52 1HB GLN 52 24.849 0.532 -15.405 403 HB3 GLN 52 2HB GLN 52 23.637 -0.455 -16.209 404 HG2 GLN 52 1HG GLN 52 24.386 0.562 -18.390 405 HG3 GLN 52 2HG GLN 52 25.740 1.293 -17.485 406 HE21 GLN 52 1HE2 GLN 52 25.602 -2.836 -17.615 407 HE22 GLN 52 2HE2 GLN 52 24.152 -1.924 -17.356 408 H HIS 53 H HIS 53 21.024 0.370 -16.529 409 HA HIS 53 HA HIS 53 20.049 0.959 -13.761 410 HB2 HIS 53 1HB HIS 53 18.539 1.844 -15.407 411 HB3 HIS 53 2HB HIS 53 18.575 0.357 -16.343 412 HD2 HIS 53 HD2 HIS 53 16.157 1.979 -13.890 413 HE1 HIS 53 HE1 HIS 53 15.686 -2.218 -13.432 414 H PHE 54 H PHE 54 19.978 -0.605 -12.337 415 HA PHE 54 HA PHE 54 19.796 -3.410 -13.353 416 HB2 PHE 54 1HB PHE 54 20.733 -2.525 -10.601 417 HB3 PHE 54 2HB PHE 54 20.842 -4.133 -11.297 418 HD1 PHE 54 HD1 PHE 54 21.741 -3.172 -14.097 419 HD2 PHE 54 HD2 PHE 54 23.048 -2.260 -10.133 420 HE1 PHE 54 HE1 PHE 54 23.995 -2.646 -14.963 421 HE2 PHE 54 HE2 PHE 54 25.304 -1.731 -10.996 422 HZ PHE 54 HZ PHE 54 25.776 -1.926 -13.413 423 H LYS 55 H LYS 55 18.317 -4.826 -12.474 424 HA LYS 55 HA LYS 55 16.017 -3.548 -11.133 425 HB2 LYS 55 1HB LYS 55 16.263 -6.453 -11.974 426 HB3 LYS 55 2HB LYS 55 14.794 -5.537 -11.667 427 HG2 LYS 55 1HG LYS 55 15.149 -4.201 -13.671 428 HG3 LYS 55 2HG LYS 55 16.706 -4.991 -13.956 429 HD2 LYS 55 1HD LYS 55 15.554 -7.172 -14.196 430 HD3 LYS 55 2HD LYS 55 13.998 -6.376 -13.920 431 HE2 LYS 55 1HE LYS 55 14.344 -4.984 -15.929 432 HE3 LYS 55 2HE LYS 55 15.908 -5.755 -16.203 433 HZ1 LYS 55 1HZ LYS 55 14.197 -6.731 -17.545 434 HZ2 LYS 55 2HZ LYS 55 14.764 -7.847 -16.471 435 HZ3 LYS 55 3HZ LYS 55 13.304 -7.126 -16.216 436 H VAL 56 H VAL 56 15.786 -3.506 -9.032 437 HA VAL 56 HA VAL 56 17.218 -5.556 -7.409 438 HB VAL 56 HB VAL 56 16.023 -2.868 -6.606 439 HG11 VAL 56 1HG1 VAL 56 17.103 -3.248 -4.443 440 HG12 VAL 56 2HG1 VAL 56 15.862 -4.474 -4.793 441 HG13 VAL 56 3HG1 VAL 56 17.586 -4.877 -4.972 442 HG21 VAL 56 1HG2 VAL 56 18.389 -2.215 -6.297 443 HG22 VAL 56 2HG2 VAL 56 18.906 -3.812 -6.887 444 HG23 VAL 56 3HG2 VAL 56 18.067 -2.687 -7.981 445 H LEU 57 H LEU 57 16.007 -7.254 -6.811 446 HA LEU 57 HA LEU 57 13.055 -6.855 -7.027 447 HB2 LEU 57 1HB LEU 57 14.616 -9.405 -7.547 448 HB3 LEU 57 2HB LEU 57 12.914 -9.097 -7.906 449 HG LEU 57 HG LEU 57 15.237 -7.683 -9.262 450 HD11 LEU 57 1HD1 LEU 57 14.720 -9.135 -11.173 451 HD12 LEU 57 2HD1 LEU 57 15.239 -10.076 -9.755 452 HD13 LEU 57 3HD1 LEU 57 13.515 -10.000 -10.191 453 HD21 LEU 57 1HD2 LEU 57 13.477 -6.979 -10.847 454 HD22 LEU 57 2HD2 LEU 57 12.252 -7.814 -9.861 455 HD23 LEU 57 3HD2 LEU 57 13.121 -6.407 -9.200 456 H ARG 58 H ARG 58 11.699 -7.662 -5.520 457 HA ARG 58 HA ARG 58 12.837 -8.511 -2.975 458 HB2 ARG 58 1HB ARG 58 9.985 -8.245 -3.975 459 HB3 ARG 58 2HB ARG 58 10.390 -8.781 -2.352 460 HG2 ARG 58 1HG ARG 58 11.435 -6.655 -1.849 461 HG3 ARG 58 2HG ARG 58 11.193 -6.107 -3.525 462 HD2 ARG 58 1HD ARG 58 8.983 -6.892 -1.642 463 HD3 ARG 58 2HD ARG 58 9.539 -5.228 -1.926 464 HE ARG 58 HE ARG 58 8.999 -6.169 -4.439 465 HH11 ARG 58 1HH1 ARG 58 7.172 -5.980 -1.445 466 HH12 ARG 58 2HH1 ARG 58 5.628 -5.815 -2.251 467 HH21 ARG 58 1HH2 ARG 58 6.989 -5.954 -5.474 468 HH22 ARG 58 2HH2 ARG 58 5.524 -5.800 -4.532 469 H ASP 59 H ASP 59 13.001 -10.502 -2.135 470 HA ASP 59 HA ASP 59 12.168 -12.796 -3.801 471 HB2 ASP 59 1HB ASP 59 13.445 -14.158 -2.252 472 HB3 ASP 59 2HB ASP 59 14.421 -12.774 -2.727 473 H GLY 60 H GLY 60 11.649 -14.718 -1.928 474 HA2 GLY 60 1HA GLY 60 8.833 -14.257 -1.572 475 HA3 GLY 60 2HA GLY 60 9.728 -15.664 -1.028 476 H ALA 61 H ALA 61 11.568 -13.483 0.336 477 HA ALA 61 HA ALA 61 10.114 -13.599 2.890 478 HB1 ALA 61 1HB ALA 61 12.226 -12.745 3.853 479 HB2 ALA 61 2HB ALA 61 12.495 -14.189 2.848 480 HB3 ALA 61 3HB ALA 61 12.896 -12.576 2.214 481 H GLY 62 H GLY 62 10.212 -11.496 0.308 482 HA2 GLY 62 1HA GLY 62 9.507 -9.262 0.123 483 HA3 GLY 62 2HA GLY 62 9.346 -9.171 1.866 484 H LYS 63 H LYS 63 12.321 -10.476 0.699 485 HA LYS 63 HA LYS 63 13.687 -7.972 1.564 486 HB2 LYS 63 1HB LYS 63 14.507 -10.887 1.566 487 HB3 LYS 63 2HB LYS 63 15.710 -9.609 1.673 488 HG2 LYS 63 1HG LYS 63 14.377 -8.728 3.681 489 HG3 LYS 63 2HG LYS 63 13.514 -10.273 3.637 490 HD2 LYS 63 1HD LYS 63 16.540 -10.146 3.688 491 HD3 LYS 63 2HD LYS 63 15.581 -10.092 5.174 492 HE2 LYS 63 1HE LYS 63 14.485 -12.240 4.485 493 HE3 LYS 63 2HE LYS 63 15.567 -12.307 3.092 494 HZ1 LYS 63 1HZ LYS 63 16.393 -13.606 4.914 495 HZ2 LYS 63 2HZ LYS 63 17.424 -12.355 4.611 496 HZ3 LYS 63 3HZ LYS 63 16.413 -12.294 5.913 497 H TYR 64 H TYR 64 15.489 -7.169 0.418 498 HA TYR 64 HA TYR 64 14.866 -7.390 -2.464 499 HB2 TYR 64 1HB TYR 64 16.445 -5.325 -0.878 500 HB3 TYR 64 2HB TYR 64 16.192 -5.258 -2.617 501 HD1 TYR 64 HD1 TYR 64 14.560 -5.016 0.682 502 HD2 TYR 64 HD2 TYR 64 14.090 -4.591 -3.561 503 HE1 TYR 64 HE1 TYR 64 12.425 -3.822 1.037 504 HE2 TYR 64 HE2 TYR 64 11.956 -3.396 -3.207 505 HH TYR 64 HH TYR 64 10.477 -2.674 -1.721 506 H PHE 65 H PHE 65 16.209 -8.068 -4.008 507 HA PHE 65 HA PHE 65 19.105 -8.204 -3.379 508 HB2 PHE 65 1HB PHE 65 19.352 -10.435 -4.256 509 HB3 PHE 65 2HB PHE 65 18.119 -10.488 -3.006 510 HD1 PHE 65 HD1 PHE 65 18.803 -10.797 -6.581 511 HD2 PHE 65 HD2 PHE 65 15.769 -10.832 -3.573 512 HE1 PHE 65 HE1 PHE 65 17.233 -11.843 -8.178 513 HE2 PHE 65 HE2 PHE 65 14.198 -11.881 -5.168 514 HZ PHE 65 HZ PHE 65 14.931 -12.385 -7.472 515 H LEU 66 H LEU 66 20.416 -8.607 -5.378 516 HA LEU 66 HA LEU 66 19.078 -7.487 -7.792 517 HB2 LEU 66 1HB LEU 66 20.305 -5.721 -6.389 518 HB3 LEU 66 2HB LEU 66 21.798 -6.549 -6.838 519 HG LEU 66 HG LEU 66 19.839 -5.322 -8.811 520 HD11 LEU 66 1HD1 LEU 66 21.542 -3.572 -9.060 521 HD12 LEU 66 2HD1 LEU 66 20.894 -3.628 -7.404 522 HD13 LEU 66 3HD1 LEU 66 22.497 -4.316 -7.757 523 HD21 LEU 66 1HD2 LEU 66 21.690 -5.683 -10.410 524 HD22 LEU 66 2HD2 LEU 66 22.649 -6.458 -9.125 525 HD23 LEU 66 3HD2 LEU 66 21.148 -7.222 -9.699 526 H TRP 67 H TRP 67 22.274 -8.643 -6.621 527 HA TRP 67 HA TRP 67 22.825 -9.567 -9.374 528 HB2 TRP 67 1HB TRP 67 24.594 -9.305 -6.912 529 HB3 TRP 67 2HB TRP 67 25.153 -9.920 -8.460 530 HD1 TRP 67 HD1 TRP 67 24.710 -6.741 -6.571 531 HE1 TRP 67 HE1 TRP 67 25.204 -4.700 -8.081 532 HE3 TRP 67 HE3 TRP 67 24.776 -9.119 -11.115 533 HZ2 TRP 67 HZ2 TRP 67 25.573 -4.194 -10.833 534 HZ3 TRP 67 HZ3 TRP 67 25.203 -7.797 -13.149 535 HH2 TRP 67 HH2 TRP 67 25.601 -5.374 -13.017 536 H VAL 68 H VAL 68 24.380 -11.086 -6.659 537 HA VAL 68 HA VAL 68 22.786 -13.562 -7.073 538 HB VAL 68 HB VAL 68 25.827 -13.406 -7.231 539 HG11 VAL 68 1HG1 VAL 68 25.735 -15.815 -7.645 540 HG12 VAL 68 2HG1 VAL 68 25.104 -15.391 -6.036 541 HG13 VAL 68 3HG1 VAL 68 23.979 -15.797 -7.356 542 HG21 VAL 68 1HG2 VAL 68 25.485 -14.232 -9.539 543 HG22 VAL 68 2HG2 VAL 68 23.723 -14.157 -9.302 544 HG23 VAL 68 3HG2 VAL 68 24.686 -12.661 -9.292 545 H VAL 69 H VAL 69 25.692 -12.363 -5.328 546 HA VAL 69 HA VAL 69 25.227 -13.747 -2.907 547 HB VAL 69 HB VAL 69 27.300 -12.429 -3.560 548 HG11 VAL 69 1HG1 VAL 69 27.358 -10.045 -3.012 549 HG12 VAL 69 2HG1 VAL 69 26.206 -10.400 -4.322 550 HG13 VAL 69 3HG1 VAL 69 25.611 -10.081 -2.674 551 HG21 VAL 69 1HG2 VAL 69 27.782 -11.726 -1.237 552 HG22 VAL 69 2HG2 VAL 69 26.047 -11.821 -0.851 553 HG23 VAL 69 3HG2 VAL 69 26.946 -13.297 -1.274 554 H LYS 70 H LYS 70 24.124 -13.299 -1.043 555 HA LYS 70 HA LYS 70 22.135 -11.077 -1.238 556 HB2 LYS 70 1HB LYS 70 21.032 -13.223 -1.718 557 HB3 LYS 70 2HB LYS 70 21.677 -13.915 -0.237 558 HG2 LYS 70 1HG LYS 70 19.391 -13.354 0.150 559 HG3 LYS 70 2HG LYS 70 20.379 -12.201 1.059 560 HD2 LYS 70 1HD LYS 70 20.016 -10.471 -0.564 561 HD3 LYS 70 2HD LYS 70 19.308 -11.611 -1.718 562 HE2 LYS 70 1HE LYS 70 18.117 -10.850 0.974 563 HE3 LYS 70 2HE LYS 70 17.577 -10.254 -0.597 564 HZ1 LYS 70 1HZ LYS 70 16.222 -12.059 0.175 565 HZ2 LYS 70 2HZ LYS 70 17.020 -12.509 -1.197 566 HZ3 LYS 70 3HZ LYS 70 17.523 -13.067 0.272 567 H PHE 71 H PHE 71 22.134 -9.710 0.387 568 HA PHE 71 HA PHE 71 23.147 -10.689 3.025 569 HB2 PHE 71 1HB PHE 71 23.262 -7.910 1.794 570 HB3 PHE 71 2HB PHE 71 23.610 -8.234 3.484 571 HD1 PHE 71 HD1 PHE 71 24.693 -8.993 0.020 572 HD2 PHE 71 HD2 PHE 71 25.713 -9.043 4.168 573 HE1 PHE 71 HE1 PHE 71 27.038 -9.513 -0.565 574 HE2 PHE 71 HE2 PHE 71 28.059 -9.561 3.588 575 HZ PHE 71 HZ PHE 71 28.722 -9.798 1.220 576 H ASN 72 H ASN 72 22.305 -8.905 4.758 577 HA ASN 72 HA ASN 72 19.551 -9.662 5.053 578 HB2 ASN 72 1HB ASN 72 21.339 -7.753 6.579 579 HB3 ASN 72 2HB ASN 72 19.663 -8.037 7.026 580 HD21 ASN 72 1HD2 ASN 72 21.944 -10.294 8.935 581 HD22 ASN 72 2HD2 ASN 72 21.875 -8.584 8.671 582 H SER 73 H SER 73 21.083 -6.986 3.524 583 HA SER 73 HA SER 73 18.448 -5.834 2.893 584 HB2 SER 73 1HB SER 73 18.951 -4.663 4.945 585 HB3 SER 73 2HB SER 73 20.590 -4.320 4.414 586 HG SER 73 HG SER 73 18.437 -2.913 4.038 587 H LEU 74 H LEU 74 18.411 -4.644 1.010 588 HA LEU 74 HA LEU 74 20.292 -4.815 -0.998 589 HB2 LEU 74 1HB LEU 74 18.116 -3.793 -1.344 590 HB3 LEU 74 2HB LEU 74 18.528 -2.451 -0.272 591 HG LEU 74 HG LEU 74 20.294 -1.755 -1.915 592 HD11 LEU 74 1HD1 LEU 74 20.212 -2.721 -4.170 593 HD12 LEU 74 2HD1 LEU 74 20.663 -3.937 -2.950 594 HD13 LEU 74 3HD1 LEU 74 19.013 -3.913 -3.615 595 HD21 LEU 74 1HD2 LEU 74 18.673 -0.841 -3.540 596 HD22 LEU 74 2HD2 LEU 74 17.451 -2.006 -2.977 597 HD23 LEU 74 3HD2 LEU 74 18.042 -0.737 -1.879 598 H ASN 75 H ASN 75 20.330 -2.608 1.773 599 HA ASN 75 HA ASN 75 22.320 -0.856 0.619 600 HB2 ASN 75 1HB ASN 75 21.219 -1.182 3.422 601 HB3 ASN 75 2HB ASN 75 22.457 0.002 3.022 602 HD21 ASN 75 1HD2 ASN 75 19.051 1.523 2.828 603 HD22 ASN 75 2HD2 ASN 75 19.904 0.618 4.033 604 H GLU 76 H GLU 76 22.523 -3.935 1.966 605 HA GLU 76 HA GLU 76 25.266 -3.503 3.005 606 HB2 GLU 76 1HB GLU 76 23.389 -5.897 3.101 607 HB3 GLU 76 2HB GLU 76 25.041 -5.932 3.701 608 HG2 GLU 76 1HG GLU 76 24.473 -4.102 5.284 609 HG3 GLU 76 2HG GLU 76 22.805 -4.166 4.717 610 H LEU 77 H LEU 77 23.499 -5.244 0.471 611 HA LEU 77 HA LEU 77 25.836 -6.727 -0.400 612 HB2 LEU 77 1HB LEU 77 24.438 -7.651 -2.055 613 HB3 LEU 77 2HB LEU 77 23.379 -7.398 -0.663 614 HG LEU 77 HG LEU 77 22.876 -5.097 -1.941 615 HD11 LEU 77 1HD1 LEU 77 22.842 -5.470 -4.367 616 HD12 LEU 77 2HD1 LEU 77 24.499 -5.510 -3.718 617 HD13 LEU 77 3HD1 LEU 77 23.670 -7.028 -4.139 618 HD21 LEU 77 1HD2 LEU 77 20.929 -6.247 -2.939 619 HD22 LEU 77 2HD2 LEU 77 21.730 -7.818 -2.692 620 HD23 LEU 77 3HD2 LEU 77 21.244 -6.836 -1.289 621 H VAL 78 H VAL 78 24.298 -3.687 -1.278 622 HA VAL 78 HA VAL 78 25.928 -3.233 -3.625 623 HB VAL 78 HB VAL 78 25.136 -0.914 -3.462 624 HG11 VAL 78 1HG1 VAL 78 22.725 -1.321 -3.550 625 HG12 VAL 78 2HG1 VAL 78 23.643 -2.566 -4.430 626 HG13 VAL 78 3HG1 VAL 78 22.970 -2.926 -2.822 627 HG21 VAL 78 1HG2 VAL 78 23.714 -0.216 -1.561 628 HG22 VAL 78 2HG2 VAL 78 23.997 -1.788 -0.775 629 HG23 VAL 78 3HG2 VAL 78 25.349 -0.656 -1.014 630 H ASP 79 H ASP 79 26.332 -2.755 -0.173 631 HA ASP 79 HA ASP 79 28.767 -1.196 -0.414 632 HB2 ASP 79 1HB ASP 79 27.312 -1.292 1.649 633 HB3 ASP 79 2HB ASP 79 27.854 -2.945 1.903 634 H TYR 80 H TYR 80 28.050 -4.660 0.144 635 HA TYR 80 HA TYR 80 30.661 -5.676 -0.044 636 HB2 TYR 80 1HB TYR 80 28.759 -7.123 0.429 637 HB3 TYR 80 2HB TYR 80 28.051 -6.786 -1.145 638 HD1 TYR 80 HD1 TYR 80 31.016 -8.321 0.508 639 HD2 TYR 80 HD2 TYR 80 28.577 -8.093 -3.013 640 HE1 TYR 80 HE1 TYR 80 32.209 -10.266 -0.444 641 HE2 TYR 80 HE2 TYR 80 29.769 -10.038 -3.966 642 HH TYR 80 HH TYR 80 32.391 -11.644 -2.176 643 H HIS 81 H HIS 81 28.417 -4.833 -2.690 644 HA HIS 81 HA HIS 81 30.578 -5.230 -4.673 645 HB2 HIS 81 1HB HIS 81 27.659 -4.434 -4.919 646 HB3 HIS 81 2HB HIS 81 28.767 -4.464 -6.284 647 HD2 HIS 81 HD2 HIS 81 26.280 -6.892 -4.660 648 HE1 HIS 81 HE1 HIS 81 29.240 -9.256 -6.584 649 H ARG 82 H ARG 82 30.264 -2.961 -2.485 650 HA ARG 82 HA ARG 82 31.009 -0.761 -4.322 651 HB2 ARG 82 1HB ARG 82 29.701 -0.210 -2.311 652 HB3 ARG 82 2HB ARG 82 30.951 -0.900 -1.288 653 HG2 ARG 82 1HG ARG 82 32.514 0.827 -1.923 654 HG3 ARG 82 2HG ARG 82 31.364 1.476 -3.119 655 HD2 ARG 82 1HD ARG 82 31.311 2.821 -1.151 656 HD3 ARG 82 2HD ARG 82 29.784 1.917 -1.283 657 HE ARG 82 HE ARG 82 30.314 0.743 0.628 658 HH11 ARG 82 1HH1 ARG 82 33.109 2.579 -0.448 659 HH12 ARG 82 2HH1 ARG 82 34.014 2.302 1.023 660 HH21 ARG 82 1HH2 ARG 82 31.498 0.391 2.533 661 HH22 ARG 82 2HH2 ARG 82 33.104 1.064 2.711 662 H SER 83 H SER 83 32.458 -2.760 -1.734 663 HA SER 83 HA SER 83 35.129 -1.735 -2.244 664 HB2 SER 83 1HB SER 83 35.849 -3.340 -0.605 665 HB3 SER 83 2HB SER 83 34.357 -2.610 -0.034 666 HG SER 83 HG SER 83 33.808 -4.709 -1.566 667 H THR 84 H THR 84 33.137 -4.227 -3.577 668 HA THR 84 HA THR 84 35.436 -5.012 -5.303 669 HB THR 84 HB THR 84 33.360 -6.927 -4.152 670 HG1 THR 84 HG1 THR 84 35.903 -6.161 -3.392 671 HG21 THR 84 1HG2 THR 84 34.671 -8.662 -5.311 672 HG22 THR 84 2HG2 THR 84 34.009 -7.484 -6.470 673 HG23 THR 84 3HG2 THR 84 35.724 -7.407 -6.005 674 H SER 85 H SER 85 34.983 -5.441 -7.432 675 HA SER 85 HA SER 85 32.855 -4.014 -8.617 676 HB2 SER 85 1HB SER 85 33.527 -5.016 -10.683 677 HB3 SER 85 2HB SER 85 34.982 -4.756 -9.732 678 HG SER 85 HG SER 85 34.217 -6.941 -10.793 679 H VAL 86 H VAL 86 31.119 -4.862 -9.995 680 HA VAL 86 HA VAL 86 29.526 -6.817 -8.532 681 HB VAL 86 HB VAL 86 27.794 -6.332 -10.188 682 HG11 VAL 86 1HG1 VAL 86 27.578 -3.915 -9.870 683 HG12 VAL 86 2HG1 VAL 86 28.091 -4.741 -8.379 684 HG13 VAL 86 3HG1 VAL 86 29.277 -3.834 -9.347 685 HG21 VAL 86 1HG2 VAL 86 28.255 -4.808 -12.083 686 HG22 VAL 86 2HG2 VAL 86 29.974 -4.762 -11.626 687 HG23 VAL 86 3HG2 VAL 86 29.243 -6.284 -12.188 688 H SER 87 H SER 87 31.923 -7.017 -10.907 689 HA SER 87 HA SER 87 31.366 -9.767 -11.581 690 HB2 SER 87 1HB SER 87 29.613 -8.819 -12.951 691 HB3 SER 87 2HB SER 87 30.711 -7.623 -13.622 692 HG SER 87 HG SER 87 30.202 -10.003 -14.503 693 H ARG 88 H ARG 88 32.956 -10.700 -12.972 694 HA ARG 88 HA ARG 88 35.508 -9.298 -13.029 695 HB2 ARG 88 1HB ARG 88 34.589 -11.932 -14.222 696 HB3 ARG 88 2HB ARG 88 36.232 -11.326 -14.357 697 HG2 ARG 88 1HG ARG 88 36.473 -11.381 -11.918 698 HG3 ARG 88 2HG ARG 88 34.798 -11.965 -11.765 699 HD2 ARG 88 1HD ARG 88 35.371 -13.941 -13.051 700 HD3 ARG 88 2HD ARG 88 37.044 -13.357 -13.207 701 HE ARG 88 HE ARG 88 36.446 -13.394 -10.476 702 HH11 ARG 88 1HH1 ARG 88 36.705 -15.689 -13.124 703 HH12 ARG 88 2HH1 ARG 88 37.196 -17.013 -12.094 704 HH21 ARG 88 1HH2 ARG 88 37.084 -15.122 -9.148 705 HH22 ARG 88 2HH2 ARG 88 37.411 -16.695 -9.843 706 H ASN 89 H ASN 89 32.770 -9.561 -15.115 707 HA ASN 89 HA ASN 89 34.414 -8.671 -17.445 708 HB2 ASN 89 1HB ASN 89 31.729 -10.088 -17.369 709 HB3 ASN 89 2HB ASN 89 32.509 -9.499 -18.831 710 HD21 ASN 89 1HD2 ASN 89 33.245 -13.155 -17.903 711 HD22 ASN 89 2HD2 ASN 89 31.792 -12.233 -17.712 712 H GLN 90 H GLN 90 31.436 -8.078 -15.617 713 HA GLN 90 HA GLN 90 30.875 -5.703 -17.287 714 HB2 GLN 90 1HB GLN 90 29.307 -6.885 -14.959 715 HB3 GLN 90 2HB GLN 90 28.768 -5.579 -16.006 716 HG2 GLN 90 1HG GLN 90 28.773 -7.095 -17.930 717 HG3 GLN 90 2HG GLN 90 29.331 -8.422 -16.873 718 HE21 GLN 90 1HE2 GLN 90 25.905 -9.256 -16.780 719 HE22 GLN 90 2HE2 GLN 90 27.438 -9.603 -17.509 720 H GLN 91 H GLN 91 32.225 -4.062 -16.798 721 HA GLN 91 HA GLN 91 33.348 -3.894 -14.117 722 HB2 GLN 91 1HB GLN 91 33.702 -2.084 -16.541 723 HB3 GLN 91 2HB GLN 91 34.646 -1.988 -15.061 724 HG2 GLN 91 1HG GLN 91 34.544 -4.393 -16.894 725 HG3 GLN 91 2HG GLN 91 35.825 -3.148 -16.874 726 HE21 GLN 91 1HE2 GLN 91 36.088 -6.318 -14.475 727 HE22 GLN 91 2HE2 GLN 91 35.042 -6.193 -15.850 728 H ILE 92 H ILE 92 31.200 -3.552 -13.089 729 HA ILE 92 HA ILE 92 30.769 -0.600 -12.903 730 HB ILE 92 HB ILE 92 28.757 -2.780 -12.203 731 HG12 ILE 92 1HG1 ILE 92 29.355 -2.527 -14.672 732 HG13 ILE 92 2HG1 ILE 92 27.660 -2.422 -14.224 733 HG21 ILE 92 1HG2 ILE 92 27.181 -0.892 -12.075 734 HG22 ILE 92 2HG2 ILE 92 28.513 -0.693 -10.913 735 HG23 ILE 92 3HG2 ILE 92 28.506 0.243 -12.426 736 HD11 ILE 92 1HD1 ILE 92 28.237 -0.730 -15.871 737 HD12 ILE 92 2HD1 ILE 92 27.771 0.030 -14.330 738 HD13 ILE 92 3HD1 ILE 92 29.487 -0.076 -14.787 739 H PHE 93 H PHE 93 31.105 0.359 -10.978 740 HA PHE 93 HA PHE 93 31.026 -1.409 -8.567 741 HB2 PHE 93 1HB PHE 93 32.472 1.231 -9.007 742 HB3 PHE 93 2HB PHE 93 32.293 0.468 -7.434 743 HD1 PHE 93 HD1 PHE 93 33.774 0.078 -10.803 744 HD2 PHE 93 HD2 PHE 93 33.674 -1.341 -6.774 745 HE1 PHE 93 HE1 PHE 93 35.806 -1.264 -11.227 746 HE2 PHE 93 HE2 PHE 93 35.708 -2.682 -7.194 747 HZ PHE 93 HZ PHE 93 36.773 -2.645 -9.421 748 H LEU 94 H LEU 94 29.793 -0.808 -6.812 749 HA LEU 94 HA LEU 94 27.935 1.480 -7.280 750 HB2 LEU 94 1HB LEU 94 27.634 -0.831 -5.332 751 HB3 LEU 94 2HB LEU 94 26.430 0.408 -5.698 752 HG LEU 94 HG LEU 94 27.376 -1.844 -7.495 753 HD11 LEU 94 1HD1 LEU 94 25.001 -2.457 -7.421 754 HD12 LEU 94 2HD1 LEU 94 25.723 -2.425 -5.796 755 HD13 LEU 94 3HD1 LEU 94 24.680 -1.087 -6.333 756 HD21 LEU 94 1HD2 LEU 94 25.849 -0.890 -9.189 757 HD22 LEU 94 2HD2 LEU 94 25.539 0.504 -8.127 758 HD23 LEU 94 3HD2 LEU 94 27.164 0.244 -8.803 759 H ARG 95 H ARG 95 28.669 3.274 -6.362 760 HA ARG 95 HA ARG 95 29.965 3.026 -3.679 761 HB2 ARG 95 1HB ARG 95 30.731 4.841 -5.989 762 HB3 ARG 95 2HB ARG 95 31.385 4.978 -4.365 763 HG2 ARG 95 1HG ARG 95 32.371 2.746 -4.547 764 HG3 ARG 95 2HG ARG 95 31.680 2.570 -6.178 765 HD2 ARG 95 1HD ARG 95 32.962 4.507 -6.914 766 HD3 ARG 95 2HD ARG 95 33.670 4.645 -5.288 767 HE ARG 95 HE ARG 95 34.199 2.055 -6.048 768 HH11 ARG 95 1HH1 ARG 95 34.839 5.230 -7.409 769 HH12 ARG 95 2HH1 ARG 95 36.319 4.732 -8.198 770 HH21 ARG 95 1HH2 ARG 95 36.123 1.421 -7.075 771 HH22 ARG 95 2HH2 ARG 95 37.047 2.576 -8.009 772 H ASP 96 H ASP 96 29.923 4.998 -2.378 773 HA ASP 96 HA ASP 96 27.297 6.339 -2.679 774 HB2 ASP 96 1HB ASP 96 29.281 6.207 -0.376 775 HB3 ASP 96 2HB ASP 96 27.815 7.176 -0.340 Start of MODEL 4 1 H1 MET 1 1H MET 1 0.535 -4.218 -4.770 2 H2 MET 1 2H MET 1 -0.343 -2.926 -5.243 3 H3 MET 1 3H MET 1 0.973 -3.374 -6.098 4 HA MET 1 HA MET 1 0.949 -2.352 -3.372 5 HB2 MET 1 1HB MET 1 3.236 -3.231 -5.176 6 HB3 MET 1 2HB MET 1 3.452 -2.331 -3.682 7 HG2 MET 1 1HG MET 1 2.428 -4.188 -2.416 8 HG3 MET 1 2HG MET 1 2.221 -5.092 -3.918 9 HE1 MET 1 1HE MET 1 5.727 -6.217 -4.905 10 HE2 MET 1 2HE MET 1 3.976 -6.525 -5.015 11 HE3 MET 1 3HE MET 1 4.651 -4.995 -5.626 12 H LYS 2 H LYS 2 2.039 -0.299 -3.144 13 HA LYS 2 HA LYS 2 1.678 1.373 -5.597 14 HB2 LYS 2 1HB LYS 2 1.150 2.078 -2.683 15 HB3 LYS 2 2HB LYS 2 1.133 3.244 -3.999 16 HG2 LYS 2 1HG LYS 2 -0.718 1.978 -5.072 17 HG3 LYS 2 2HG LYS 2 -0.721 0.864 -3.697 18 HD2 LYS 2 1HD LYS 2 -1.208 2.751 -2.169 19 HD3 LYS 2 2HD LYS 2 -1.208 3.863 -3.547 20 HE2 LYS 2 1HE LYS 2 -3.094 2.616 -4.553 21 HE3 LYS 2 2HE LYS 2 -3.094 1.505 -3.181 22 HZ1 LYS 2 1HZ LYS 2 -4.742 3.212 -2.935 23 HZ2 LYS 2 2HZ LYS 2 -3.603 3.363 -1.751 24 HZ3 LYS 2 3HZ LYS 2 -3.603 4.401 -3.033 25 HA PRO 3 HA PRO 3 5.814 2.588 -5.070 26 HB2 PRO 3 1HB PRO 3 5.881 4.898 -6.521 27 HB3 PRO 3 2HB PRO 3 5.633 3.329 -7.295 28 HG2 PRO 3 1HG PRO 3 3.555 5.403 -6.469 29 HG3 PRO 3 2HG PRO 3 3.709 4.567 -8.017 30 HD2 PRO 3 1HD PRO 3 1.977 3.704 -6.084 31 HD3 PRO 3 2HD PRO 3 2.822 2.550 -7.193 32 H HIS 4 H HIS 4 7.141 4.638 -4.451 33 HA HIS 4 HA HIS 4 5.946 5.635 -1.938 34 HB2 HIS 4 1HB HIS 4 8.745 5.669 -3.095 35 HB3 HIS 4 2HB HIS 4 8.319 6.595 -1.663 36 HD2 HIS 4 HD2 HIS 4 8.595 2.805 -2.737 37 HE1 HIS 4 HE1 HIS 4 8.541 3.071 1.516 38 HA PRO 5 HA PRO 5 5.182 9.565 -3.846 39 HB2 PRO 5 1HB PRO 5 3.663 10.634 -1.882 40 HB3 PRO 5 2HB PRO 5 3.023 9.344 -2.907 41 HG2 PRO 5 1HG PRO 5 4.233 9.142 -0.115 42 HG3 PRO 5 2HG PRO 5 2.722 8.441 -0.705 43 HD2 PRO 5 1HD PRO 5 5.082 7.018 -0.605 44 HD3 PRO 5 2HD PRO 5 3.798 6.698 -1.840 45 H TRP 6 H TRP 6 7.718 9.121 -2.893 46 HA TRP 6 HA TRP 6 8.223 11.412 -1.058 47 HB2 TRP 6 1HB TRP 6 9.488 8.661 -0.742 48 HB3 TRP 6 2HB TRP 6 9.785 10.071 0.265 49 HD1 TRP 6 HD1 TRP 6 7.864 6.989 0.319 50 HE1 TRP 6 HE1 TRP 6 5.908 7.087 2.006 51 HE3 TRP 6 HE3 TRP 6 7.754 12.056 1.104 52 HZ2 TRP 6 HZ2 TRP 6 4.522 9.067 3.467 53 HZ3 TRP 6 HZ3 TRP 6 6.087 12.989 2.657 54 HH2 TRP 6 HH2 TRP 6 4.495 11.523 3.827 55 H PHE 7 H PHE 7 10.570 11.991 -0.966 56 HA PHE 7 HA PHE 7 11.928 11.417 -3.548 57 HB2 PHE 7 1HB PHE 7 12.267 13.529 -1.415 58 HB3 PHE 7 2HB PHE 7 13.591 13.170 -2.511 59 HD1 PHE 7 HD1 PHE 7 10.493 14.910 -2.072 60 HD2 PHE 7 HD2 PHE 7 13.172 13.358 -5.015 61 HE1 PHE 7 HE1 PHE 7 9.488 16.400 -3.770 62 HE2 PHE 7 HE2 PHE 7 12.172 14.848 -6.715 63 HZ PHE 7 HZ PHE 7 10.327 16.368 -6.092 64 H PHE 8 H PHE 8 14.818 9.836 -2.338 65 HA PHE 8 HA PHE 8 13.538 11.234 -4.483 66 HB2 PHE 8 1HB PHE 8 15.290 8.745 -4.469 67 HB3 PHE 8 2HB PHE 8 14.772 9.568 -5.933 68 HD1 PHE 8 HD1 PHE 8 14.973 12.408 -4.627 69 HD2 PHE 8 HD2 PHE 8 17.628 9.072 -4.893 70 HE1 PHE 8 HE1 PHE 8 16.908 13.938 -4.455 71 HE2 PHE 8 HE2 PHE 8 19.566 10.598 -4.718 72 HZ PHE 8 HZ PHE 8 19.204 13.032 -4.501 73 H GLY 9 H GLY 9 12.892 8.184 -2.890 74 HA2 GLY 9 1HA GLY 9 11.223 6.597 -3.232 75 HA3 GLY 9 2HA GLY 9 10.225 7.995 -3.587 76 H LYS 10 H LYS 10 9.072 7.557 -5.370 77 HA LYS 10 HA LYS 10 10.269 6.149 -7.649 78 HB2 LYS 10 1HB LYS 10 7.891 5.808 -7.107 79 HB3 LYS 10 2HB LYS 10 7.573 7.525 -7.314 80 HG2 LYS 10 1HG LYS 10 8.113 7.374 -9.695 81 HG3 LYS 10 2HG LYS 10 8.531 5.664 -9.509 82 HD2 LYS 10 1HD LYS 10 6.259 5.090 -8.935 83 HD3 LYS 10 2HD LYS 10 5.798 6.796 -8.822 84 HE2 LYS 10 1HE LYS 10 6.235 7.083 -11.234 85 HE3 LYS 10 2HE LYS 10 6.722 5.390 -11.356 86 HZ1 LYS 10 1HZ LYS 10 4.459 5.708 -12.038 87 HZ2 LYS 10 2HZ LYS 10 4.505 4.764 -10.686 88 HZ3 LYS 10 3HZ LYS 10 4.049 6.346 -10.573 89 H ILE 11 H ILE 11 11.818 8.360 -7.066 90 HA ILE 11 HA ILE 11 11.482 10.451 -8.942 91 HB ILE 11 HB ILE 11 13.381 10.206 -7.272 92 HG12 ILE 11 1HG1 ILE 11 14.126 10.790 -10.147 93 HG13 ILE 11 2HG1 ILE 11 13.371 11.914 -9.030 94 HG21 ILE 11 1HG2 ILE 11 15.363 8.944 -8.007 95 HG22 ILE 11 2HG2 ILE 11 13.964 7.867 -7.786 96 HG23 ILE 11 3HG2 ILE 11 14.463 8.350 -9.424 97 HD11 ILE 11 1HD1 ILE 11 15.758 12.334 -9.216 98 HD12 ILE 11 2HD1 ILE 11 15.341 11.806 -7.567 99 HD13 ILE 11 3HD1 ILE 11 16.109 10.667 -8.700 100 HA PRO 12 HA PRO 12 11.519 8.329 -12.789 101 HB2 PRO 12 1HB PRO 12 12.100 10.465 -14.420 102 HB3 PRO 12 2HB PRO 12 10.509 10.245 -13.678 103 HG2 PRO 12 1HG PRO 12 12.852 11.941 -12.696 104 HG3 PRO 12 2HG PRO 12 11.172 12.435 -12.920 105 HD2 PRO 12 1HD PRO 12 12.048 11.730 -10.472 106 HD3 PRO 12 2HD PRO 12 10.404 11.219 -11.028 107 H ARG 13 H ARG 13 13.077 7.385 -14.093 108 HA ARG 13 HA ARG 13 15.818 7.430 -13.522 109 HB2 ARG 13 1HB ARG 13 14.481 5.859 -15.073 110 HB3 ARG 13 2HB ARG 13 14.735 7.066 -16.324 111 HG2 ARG 13 1HG ARG 13 17.202 6.291 -14.925 112 HG3 ARG 13 2HG ARG 13 16.391 4.961 -15.789 113 HD2 ARG 13 1HD ARG 13 17.276 7.608 -16.907 114 HD3 ARG 13 2HD ARG 13 17.940 5.996 -17.259 115 HE ARG 13 HE ARG 13 15.192 5.970 -17.879 116 HH11 ARG 13 1HH1 ARG 13 18.166 7.477 -18.988 117 HH12 ARG 13 2HH1 ARG 13 17.622 7.623 -20.644 118 HH21 ARG 13 1HH2 ARG 13 14.497 6.166 -20.032 119 HH22 ARG 13 2HH2 ARG 13 15.546 6.882 -21.236 120 H ALA 14 H ALA 14 13.953 9.487 -15.745 121 HA ALA 14 HA ALA 14 15.862 11.002 -16.984 122 HB1 ALA 14 1HB ALA 14 14.355 12.948 -16.742 123 HB2 ALA 14 2HB ALA 14 13.457 11.466 -17.150 124 HB3 ALA 14 3HB ALA 14 13.450 12.080 -15.481 125 H LYS 15 H LYS 15 14.679 11.803 -13.687 126 HA LYS 15 HA LYS 15 16.619 13.936 -13.483 127 HB2 LYS 15 1HB LYS 15 14.273 13.712 -12.356 128 HB3 LYS 15 2HB LYS 15 15.110 12.754 -11.141 129 HG2 LYS 15 1HG LYS 15 15.020 14.949 -10.285 130 HG3 LYS 15 2HG LYS 15 16.686 14.729 -10.838 131 HD2 LYS 15 1HD LYS 15 16.077 15.867 -12.986 132 HD3 LYS 15 2HD LYS 15 14.463 16.171 -12.328 133 HE2 LYS 15 1HE LYS 15 15.349 17.564 -10.576 134 HE3 LYS 15 2HE LYS 15 17.009 17.094 -10.956 135 HZ1 LYS 15 1HZ LYS 15 16.477 19.244 -11.840 136 HZ2 LYS 15 2HZ LYS 15 16.774 18.191 -13.076 137 HZ3 LYS 15 3HZ LYS 15 15.224 18.632 -12.721 138 H ALA 16 H ALA 16 16.442 10.612 -12.310 139 HA ALA 16 HA ALA 16 18.457 10.852 -10.312 140 HB1 ALA 16 1HB ALA 16 18.566 8.384 -10.425 141 HB2 ALA 16 2HB ALA 16 16.885 8.969 -10.389 142 HB3 ALA 16 3HB ALA 16 17.602 8.418 -11.919 143 H GLU 17 H GLU 17 18.629 9.910 -13.740 144 HA GLU 17 HA GLU 17 21.488 9.471 -13.683 145 HB2 GLU 17 1HB GLU 17 19.546 9.965 -15.973 146 HB3 GLU 17 2HB GLU 17 21.247 9.588 -16.201 147 HG2 GLU 17 1HG GLU 17 20.817 7.462 -14.863 148 HG3 GLU 17 2HG GLU 17 19.101 7.830 -15.017 149 H GLU 18 H GLU 18 19.390 12.211 -14.521 150 HA GLU 18 HA GLU 18 21.366 13.994 -15.455 151 HB2 GLU 18 1HB GLU 18 18.957 14.489 -15.547 152 HB3 GLU 18 2HB GLU 18 18.879 14.568 -13.793 153 HG2 GLU 18 1HG GLU 18 20.415 16.510 -13.829 154 HG3 GLU 18 2HG GLU 18 20.431 16.444 -15.590 155 H MET 19 H MET 19 20.292 13.335 -12.116 156 HA MET 19 HA MET 19 22.045 15.245 -10.897 157 HB2 MET 19 1HB MET 19 20.539 12.817 -9.921 158 HB3 MET 19 2HB MET 19 21.686 13.624 -8.860 159 HG2 MET 19 1HG MET 19 20.413 15.761 -9.219 160 HG3 MET 19 2HG MET 19 19.212 14.834 -10.120 161 HE1 MET 19 1HE MET 19 17.312 12.825 -7.534 162 HE2 MET 19 2HE MET 19 17.256 13.670 -9.100 163 HE3 MET 19 3HE MET 19 18.407 12.336 -8.849 164 H LEU 20 H LEU 20 22.421 11.830 -11.754 165 HA LEU 20 HA LEU 20 24.943 11.460 -10.452 166 HB2 LEU 20 1HB LEU 20 23.648 10.081 -12.825 167 HB3 LEU 20 2HB LEU 20 25.183 9.560 -12.122 168 HG LEU 20 HG LEU 20 22.518 9.634 -10.660 169 HD11 LEU 20 1HD1 LEU 20 22.646 7.188 -10.820 170 HD12 LEU 20 2HD1 LEU 20 22.577 7.949 -12.427 171 HD13 LEU 20 3HD1 LEU 20 24.123 7.329 -11.801 172 HD21 LEU 20 1HD2 LEU 20 23.760 8.393 -8.921 173 HD22 LEU 20 2HD2 LEU 20 25.255 8.551 -9.876 174 HD23 LEU 20 3HD2 LEU 20 24.477 10.000 -9.196 175 H SER 21 H SER 21 24.019 12.681 -13.638 176 HA SER 21 HA SER 21 26.743 12.736 -14.645 177 HB2 SER 21 1HB SER 21 25.807 13.918 -16.533 178 HB3 SER 21 2HB SER 21 24.738 12.591 -16.107 179 HG SER 21 HG SER 21 23.813 14.416 -14.688 180 H LYS 22 H LYS 22 24.745 14.873 -12.737 181 HA LYS 22 HA LYS 22 26.753 17.017 -12.849 182 HB2 LYS 22 1HB LYS 22 24.325 16.567 -11.071 183 HB3 LYS 22 2HB LYS 22 25.386 17.963 -10.942 184 HG2 LYS 22 1HG LYS 22 24.815 18.636 -13.233 185 HG3 LYS 22 2HG LYS 22 23.781 17.211 -13.403 186 HD2 LYS 22 1HD LYS 22 22.395 18.013 -11.496 187 HD3 LYS 22 2HD LYS 22 23.409 19.459 -11.390 188 HE2 LYS 22 1HE LYS 22 22.768 20.110 -13.667 189 HE3 LYS 22 2HE LYS 22 21.814 18.635 -13.844 190 HZ1 LYS 22 1HZ LYS 22 20.449 20.506 -13.274 191 HZ2 LYS 22 2HZ LYS 22 20.412 19.397 -12.052 192 HZ3 LYS 22 3HZ LYS 22 21.302 20.776 -11.889 193 H GLN 23 H GLN 23 25.971 14.221 -10.868 194 HA GLN 23 HA GLN 23 28.089 14.922 -8.933 195 HB2 GLN 23 1HB GLN 23 26.092 13.921 -7.997 196 HB3 GLN 23 2HB GLN 23 26.157 12.581 -9.132 197 HG2 GLN 23 1HG GLN 23 26.912 11.759 -7.055 198 HG3 GLN 23 2HG GLN 23 28.362 11.930 -8.084 199 HE21 GLN 23 1HE2 GLN 23 27.911 14.084 -4.639 200 HE22 GLN 23 2HE2 GLN 23 26.637 13.090 -5.263 201 H ARG 24 H ARG 24 29.936 14.882 -10.232 202 HA ARG 24 HA ARG 24 30.392 12.701 -12.083 203 HB2 ARG 24 1HB ARG 24 32.456 14.689 -11.101 204 HB3 ARG 24 2HB ARG 24 32.443 13.807 -12.621 205 HG2 ARG 24 1HG ARG 24 30.441 15.944 -11.848 206 HG3 ARG 24 2HG ARG 24 31.870 16.185 -12.882 207 HD2 ARG 24 1HD ARG 24 29.700 14.192 -13.469 208 HD3 ARG 24 2HD ARG 24 29.713 15.862 -14.081 209 HE ARG 24 HE ARG 24 32.180 14.516 -14.649 210 HH11 ARG 24 1HH1 ARG 24 28.831 14.791 -15.677 211 HH12 ARG 24 2HH1 ARG 24 29.170 14.327 -17.329 212 HH21 ARG 24 1HH2 ARG 24 32.606 13.914 -16.796 213 HH22 ARG 24 2HH2 ARG 24 31.306 13.829 -17.963 214 H HIS 25 H HIS 25 30.058 11.062 -10.282 215 HA HIS 25 HA HIS 25 32.696 10.460 -9.000 216 HB2 HIS 25 1HB HIS 25 31.237 11.379 -7.266 217 HB3 HIS 25 2HB HIS 25 29.947 10.271 -7.715 218 HD2 HIS 25 HD2 HIS 25 29.986 8.844 -5.185 219 HE1 HIS 25 HE1 HIS 25 33.985 7.497 -5.669 220 H ASP 26 H ASP 26 33.280 8.912 -10.449 221 HA ASP 26 HA ASP 26 31.671 6.890 -11.535 222 HB2 ASP 26 1HB ASP 26 33.938 7.225 -12.320 223 HB3 ASP 26 2HB ASP 26 34.605 6.851 -10.737 224 H GLY 27 H GLY 27 30.773 5.062 -10.855 225 HA2 GLY 27 1HA GLY 27 30.741 3.065 -9.495 226 HA3 GLY 27 2HA GLY 27 31.643 3.908 -8.249 227 H ALA 28 H ALA 28 29.843 6.337 -8.688 228 HA ALA 28 HA ALA 28 28.110 5.802 -6.494 229 HB1 ALA 28 1HB ALA 28 27.125 8.013 -7.006 230 HB2 ALA 28 2HB ALA 28 28.904 8.060 -7.038 231 HB3 ALA 28 3HB ALA 28 27.986 8.029 -8.562 232 H PHE 29 H PHE 29 25.745 6.065 -6.473 233 HA PHE 29 HA PHE 29 24.365 5.180 -8.921 234 HB2 PHE 29 1HB PHE 29 23.374 3.199 -7.832 235 HB3 PHE 29 2HB PHE 29 25.118 3.050 -7.972 236 HD1 PHE 29 HD1 PHE 29 22.387 3.888 -5.601 237 HD2 PHE 29 HD2 PHE 29 26.466 2.711 -6.079 238 HE1 PHE 29 HE1 PHE 29 22.543 3.444 -3.173 239 HE2 PHE 29 HE2 PHE 29 26.625 2.263 -3.653 240 HZ PHE 29 HZ PHE 29 24.662 2.632 -2.200 241 H LEU 30 H LEU 30 22.064 5.305 -8.782 242 HA LEU 30 HA LEU 30 21.045 6.549 -6.263 243 HB2 LEU 30 1HB LEU 30 21.129 8.007 -8.418 244 HB3 LEU 30 2HB LEU 30 19.788 7.001 -8.975 245 HG LEU 30 HG LEU 30 19.542 8.317 -6.291 246 HD11 LEU 30 1HD1 LEU 30 18.731 10.374 -7.357 247 HD12 LEU 30 2HD1 LEU 30 20.451 10.084 -7.711 248 HD13 LEU 30 3HD1 LEU 30 19.217 9.742 -8.947 249 HD21 LEU 30 1HD2 LEU 30 17.184 8.427 -7.024 250 HD22 LEU 30 2HD2 LEU 30 17.646 7.767 -8.611 251 HD23 LEU 30 3HD2 LEU 30 17.816 6.767 -7.148 252 H ILE 31 H ILE 31 19.963 5.045 -5.199 253 HA ILE 31 HA ILE 31 18.438 3.000 -6.684 254 HB ILE 31 HB ILE 31 19.082 3.387 -3.738 255 HG12 ILE 31 1HG1 ILE 31 19.754 1.072 -5.555 256 HG13 ILE 31 2HG1 ILE 31 20.793 2.479 -5.401 257 HG21 ILE 31 1HG2 ILE 31 17.889 1.271 -3.339 258 HG22 ILE 31 2HG2 ILE 31 16.781 2.524 -3.942 259 HG23 ILE 31 3HG2 ILE 31 17.357 1.245 -5.036 260 HD11 ILE 31 1HD1 ILE 31 21.538 0.676 -3.951 261 HD12 ILE 31 2HD1 ILE 31 21.005 2.075 -2.987 262 HD13 ILE 31 3HD1 ILE 31 19.954 0.648 -3.143 263 H ARG 32 H ARG 32 16.274 2.872 -6.835 264 HA ARG 32 HA ARG 32 14.629 4.915 -5.468 265 HB2 ARG 32 1HB ARG 32 13.758 5.838 -7.534 266 HB3 ARG 32 2HB ARG 32 15.504 6.040 -7.496 267 HG2 ARG 32 1HG ARG 32 15.721 4.041 -8.978 268 HG3 ARG 32 2HG ARG 32 13.946 3.994 -9.092 269 HD2 ARG 32 1HD ARG 32 14.063 6.375 -9.880 270 HD3 ARG 32 2HD ARG 32 15.821 6.144 -10.021 271 HE ARG 32 HE ARG 32 13.737 5.027 -11.724 272 HH11 ARG 32 1HH1 ARG 32 17.089 4.842 -10.690 273 HH12 ARG 32 2HH1 ARG 32 17.620 4.009 -12.135 274 HH21 ARG 32 1HH2 ARG 32 14.436 3.946 -13.593 275 HH22 ARG 32 2HH2 ARG 32 16.119 3.501 -13.779 276 H GLU 33 H GLU 33 12.309 4.659 -5.925 277 HA GLU 33 HA GLU 33 11.506 1.885 -5.996 278 HB2 GLU 33 1HB GLU 33 10.182 3.446 -4.714 279 HB3 GLU 33 2HB GLU 33 9.948 4.493 -6.106 280 HG2 GLU 33 1HG GLU 33 7.923 3.408 -5.943 281 HG3 GLU 33 2HG GLU 33 8.754 2.468 -7.179 282 H SER 34 H SER 34 10.774 0.642 -7.599 283 HA SER 34 HA SER 34 11.453 1.247 -10.274 284 HB2 SER 34 1HB SER 34 11.197 -1.038 -9.545 285 HB3 SER 34 2HB SER 34 9.516 -0.774 -9.110 286 HG SER 34 HG SER 34 10.193 -1.735 -11.248 287 H GLU 35 H GLU 35 10.367 1.966 -12.040 288 HA GLU 35 HA GLU 35 7.939 3.542 -11.433 289 HB2 GLU 35 1HB GLU 35 9.637 3.462 -13.960 290 HB3 GLU 35 2HB GLU 35 8.350 4.608 -13.613 291 HG2 GLU 35 1HG GLU 35 9.617 5.594 -11.817 292 HG3 GLU 35 2HG GLU 35 10.855 4.345 -11.940 293 H SER 36 H SER 36 8.848 0.581 -12.910 294 HA SER 36 HA SER 36 6.326 0.516 -14.500 295 HB2 SER 36 1HB SER 36 7.344 -1.310 -15.741 296 HB3 SER 36 2HB SER 36 8.422 0.078 -15.730 297 HG SER 36 HG SER 36 8.578 -1.967 -13.820 298 H ALA 37 H ALA 37 7.916 -0.791 -11.726 299 HA ALA 37 HA ALA 37 5.616 -2.603 -11.289 300 HB1 ALA 37 1HB ALA 37 7.116 -4.453 -10.622 301 HB2 ALA 37 2HB ALA 37 7.330 -4.015 -12.334 302 HB3 ALA 37 3HB ALA 37 8.520 -3.484 -11.123 303 HA PRO 38 HA PRO 38 6.545 0.015 -7.644 304 HB2 PRO 38 1HB PRO 38 3.641 -0.845 -7.305 305 HB3 PRO 38 2HB PRO 38 4.386 0.713 -6.929 306 HG2 PRO 38 1HG PRO 38 2.978 0.511 -9.173 307 HG3 PRO 38 2HG PRO 38 4.528 1.357 -9.221 308 HD2 PRO 38 1HD PRO 38 3.860 -1.478 -10.100 309 HD3 PRO 38 2HD PRO 38 4.920 -0.252 -10.906 310 H GLY 39 H GLY 39 7.079 -0.726 -5.616 311 HA2 GLY 39 1HA GLY 39 6.954 -2.352 -3.804 312 HA3 GLY 39 2HA GLY 39 6.398 -3.557 -4.949 313 H ASP 40 H ASP 40 8.447 -2.549 -6.958 314 HA ASP 40 HA ASP 40 10.819 -3.890 -5.748 315 HB2 ASP 40 1HB ASP 40 9.950 -3.507 -8.635 316 HB3 ASP 40 2HB ASP 40 11.559 -4.064 -8.192 317 H PHE 41 H PHE 41 12.956 -3.104 -6.478 318 HA PHE 41 HA PHE 41 12.927 -0.119 -6.633 319 HB2 PHE 41 1HB PHE 41 14.905 -2.034 -5.346 320 HB3 PHE 41 2HB PHE 41 15.265 -0.337 -5.627 321 HD1 PHE 41 HD1 PHE 41 12.073 0.183 -5.082 322 HD2 PHE 41 HD2 PHE 41 15.372 -1.487 -2.942 323 HE1 PHE 41 HE1 PHE 41 10.981 0.770 -2.942 324 HE2 PHE 41 HE2 PHE 41 14.281 -0.903 -0.801 325 HZ PHE 41 HZ PHE 41 12.085 0.227 -0.802 326 H SER 42 H SER 42 14.729 0.895 -7.777 327 HA SER 42 HA SER 42 16.140 -0.958 -9.651 328 HB2 SER 42 1HB SER 42 15.219 1.896 -10.107 329 HB3 SER 42 2HB SER 42 16.349 1.058 -11.161 330 HG SER 42 HG SER 42 14.282 -0.518 -10.681 331 H LEU 43 H LEU 43 18.321 -0.538 -10.088 332 HA LEU 43 HA LEU 43 19.590 1.511 -8.320 333 HB2 LEU 43 1HB LEU 43 19.947 -1.049 -7.825 334 HB3 LEU 43 2HB LEU 43 21.041 -0.976 -9.210 335 HG LEU 43 HG LEU 43 21.403 1.023 -6.999 336 HD11 LEU 43 1HD1 LEU 43 22.783 -0.589 -5.763 337 HD12 LEU 43 2HD1 LEU 43 21.079 -1.095 -5.827 338 HD13 LEU 43 3HD1 LEU 43 22.278 -1.877 -6.883 339 HD21 LEU 43 1HD2 LEU 43 23.763 0.719 -7.670 340 HD22 LEU 43 2HD2 LEU 43 23.273 -0.553 -8.817 341 HD23 LEU 43 3HD2 LEU 43 22.745 1.128 -9.072 342 H SER 44 H SER 44 20.055 3.151 -9.630 343 HA SER 44 HA SER 44 21.191 2.543 -12.312 344 HB2 SER 44 1HB SER 44 19.929 4.995 -11.077 345 HB3 SER 44 2HB SER 44 20.887 5.106 -12.546 346 HG SER 44 HG SER 44 19.477 3.940 -13.605 347 H VAL 45 H VAL 45 23.323 2.493 -12.508 348 HA VAL 45 HA VAL 45 24.878 3.682 -10.261 349 HB VAL 45 HB VAL 45 24.994 1.217 -10.495 350 HG11 VAL 45 1HG1 VAL 45 26.068 0.204 -12.445 351 HG12 VAL 45 2HG1 VAL 45 24.561 1.044 -12.877 352 HG13 VAL 45 3HG1 VAL 45 26.134 1.796 -13.236 353 HG21 VAL 45 1HG2 VAL 45 27.460 1.029 -10.564 354 HG22 VAL 45 2HG2 VAL 45 27.562 2.649 -11.293 355 HG23 VAL 45 3HG2 VAL 45 26.950 2.456 -9.633 356 H LYS 46 H LYS 46 26.120 5.372 -10.643 357 HA LYS 46 HA LYS 46 26.710 6.189 -13.396 358 HB2 LYS 46 1HB LYS 46 26.145 7.897 -11.730 359 HB3 LYS 46 2HB LYS 46 27.482 7.390 -10.708 360 HG2 LYS 46 1HG LYS 46 28.178 9.366 -11.812 361 HG3 LYS 46 2HG LYS 46 29.046 8.035 -12.590 362 HD2 LYS 46 1HD LYS 46 27.698 8.119 -14.524 363 HD3 LYS 46 2HD LYS 46 26.419 9.028 -13.705 364 HE2 LYS 46 1HE LYS 46 28.912 9.989 -14.979 365 HE3 LYS 46 2HE LYS 46 27.357 10.801 -14.774 366 HZ1 LYS 46 1HZ LYS 46 29.078 11.856 -13.503 367 HZ2 LYS 46 2HZ LYS 46 27.944 11.222 -12.486 368 HZ3 LYS 46 3HZ LYS 46 29.397 10.464 -12.677 369 H PHE 47 H PHE 47 28.006 4.495 -14.163 370 HA PHE 47 HA PHE 47 30.775 4.518 -13.059 371 HB2 PHE 47 1HB PHE 47 31.147 2.463 -14.127 372 HB3 PHE 47 2HB PHE 47 29.487 2.324 -13.571 373 HD1 PHE 47 HD1 PHE 47 31.690 2.363 -16.424 374 HD2 PHE 47 HD2 PHE 47 27.609 2.671 -15.202 375 HE1 PHE 47 HE1 PHE 47 30.963 1.859 -18.732 376 HE2 PHE 47 HE2 PHE 47 26.877 2.164 -17.508 377 HZ PHE 47 HZ PHE 47 28.556 1.759 -19.273 378 H GLY 48 H GLY 48 32.406 5.473 -14.093 379 HA2 GLY 48 1HA GLY 48 33.394 7.006 -15.525 380 HA3 GLY 48 2HA GLY 48 32.573 6.171 -16.829 381 H ASN 49 H ASN 49 31.498 7.577 -18.056 382 HA ASN 49 HA ASN 49 30.185 9.904 -16.738 383 HB2 ASN 49 1HB ASN 49 30.944 9.388 -19.631 384 HB3 ASN 49 2HB ASN 49 30.021 10.784 -19.091 385 HD21 ASN 49 1HD2 ASN 49 33.817 11.292 -19.254 386 HD22 ASN 49 2HD2 ASN 49 32.763 10.396 -20.296 387 H ASP 50 H ASP 50 29.420 6.846 -17.569 388 HA ASP 50 HA ASP 50 26.730 7.588 -18.631 389 HB2 ASP 50 1HB ASP 50 28.280 4.974 -18.818 390 HB3 ASP 50 2HB ASP 50 26.624 5.184 -19.370 391 H VAL 51 H VAL 51 24.909 6.231 -17.937 392 HA VAL 51 HA VAL 51 25.344 5.034 -15.231 393 HB VAL 51 HB VAL 51 22.766 6.279 -16.274 394 HG11 VAL 51 1HG1 VAL 51 22.038 6.113 -13.944 395 HG12 VAL 51 2HG1 VAL 51 22.419 4.519 -14.638 396 HG13 VAL 51 3HG1 VAL 51 23.565 5.302 -13.526 397 HG21 VAL 51 1HG2 VAL 51 23.265 8.130 -14.709 398 HG22 VAL 51 2HG2 VAL 51 24.832 7.377 -14.322 399 HG23 VAL 51 3HG2 VAL 51 24.520 7.991 -15.963 400 H GLN 52 H GLN 52 24.871 2.948 -15.013 401 HA GLN 52 HA GLN 52 23.137 1.689 -17.093 402 HB2 GLN 52 1HB GLN 52 25.546 0.838 -16.716 403 HB3 GLN 52 2HB GLN 52 24.973 0.223 -15.172 404 HG2 GLN 52 1HG GLN 52 23.534 -1.329 -16.178 405 HG3 GLN 52 2HG GLN 52 23.608 -0.501 -17.758 406 HE21 GLN 52 1HE2 GLN 52 25.899 -3.623 -17.256 407 HE22 GLN 52 2HE2 GLN 52 24.359 -3.300 -16.530 408 H HIS 53 H HIS 53 21.486 0.287 -16.498 409 HA HIS 53 HA HIS 53 20.433 0.861 -13.759 410 HB2 HIS 53 1HB HIS 53 18.942 1.643 -15.483 411 HB3 HIS 53 2HB HIS 53 19.051 0.123 -16.358 412 HD2 HIS 53 HD2 HIS 53 16.843 1.774 -13.734 413 HE1 HIS 53 HE1 HIS 53 15.931 -2.388 -13.645 414 H PHE 54 H PHE 54 20.363 -0.673 -12.297 415 HA PHE 54 HA PHE 54 20.266 -3.502 -13.252 416 HB2 PHE 54 1HB PHE 54 21.039 -2.516 -10.482 417 HB3 PHE 54 2HB PHE 54 21.177 -4.155 -11.098 418 HD1 PHE 54 HD1 PHE 54 22.184 -3.137 -13.913 419 HD2 PHE 54 HD2 PHE 54 23.375 -2.424 -9.872 420 HE1 PHE 54 HE1 PHE 54 24.486 -2.660 -14.678 421 HE2 PHE 54 HE2 PHE 54 25.677 -1.942 -10.633 422 HZ PHE 54 HZ PHE 54 26.232 -2.062 -13.037 423 H LYS 55 H LYS 55 18.750 -4.915 -12.441 424 HA LYS 55 HA LYS 55 16.324 -3.625 -11.375 425 HB2 LYS 55 1HB LYS 55 16.762 -6.547 -12.095 426 HB3 LYS 55 2HB LYS 55 15.221 -5.738 -11.846 427 HG2 LYS 55 1HG LYS 55 15.541 -4.400 -13.851 428 HG3 LYS 55 2HG LYS 55 17.164 -5.067 -14.074 429 HD2 LYS 55 1HD LYS 55 16.197 -7.333 -14.331 430 HD3 LYS 55 2HD LYS 55 14.573 -6.660 -14.118 431 HE2 LYS 55 1HE LYS 55 14.881 -5.261 -16.129 432 HE3 LYS 55 2HE LYS 55 16.510 -5.908 -16.339 433 HZ1 LYS 55 1HZ LYS 55 14.929 -7.028 -17.730 434 HZ2 LYS 55 2HZ LYS 55 15.545 -8.086 -16.625 435 HZ3 LYS 55 3HZ LYS 55 14.023 -7.481 -16.429 436 H VAL 56 H VAL 56 15.900 -3.463 -9.310 437 HA VAL 56 HA VAL 56 17.101 -5.480 -7.465 438 HB VAL 56 HB VAL 56 16.055 -2.678 -6.870 439 HG11 VAL 56 1HG1 VAL 56 17.001 -3.018 -4.639 440 HG12 VAL 56 2HG1 VAL 56 15.705 -4.184 -4.999 441 HG13 VAL 56 3HG1 VAL 56 17.409 -4.696 -5.069 442 HG21 VAL 56 1HG2 VAL 56 18.439 -2.153 -6.466 443 HG22 VAL 56 2HG2 VAL 56 18.885 -3.804 -6.957 444 HG23 VAL 56 3HG2 VAL 56 18.173 -2.684 -8.143 445 H LEU 57 H LEU 57 15.747 -6.978 -6.663 446 HA LEU 57 HA LEU 57 12.851 -6.461 -7.196 447 HB2 LEU 57 1HB LEU 57 14.138 -9.166 -7.539 448 HB3 LEU 57 2HB LEU 57 12.634 -8.556 -8.232 449 HG LEU 57 HG LEU 57 14.362 -6.887 -9.458 450 HD11 LEU 57 1HD1 LEU 57 16.380 -8.136 -10.086 451 HD12 LEU 57 2HD1 LEU 57 16.319 -7.824 -8.336 452 HD13 LEU 57 3HD1 LEU 57 15.922 -9.440 -8.966 453 HD21 LEU 57 1HD2 LEU 57 14.246 -8.451 -11.368 454 HD22 LEU 57 2HD2 LEU 57 13.756 -9.761 -10.267 455 HD23 LEU 57 3HD2 LEU 57 12.684 -8.362 -10.517 456 H ARG 58 H ARG 58 11.345 -7.318 -5.832 457 HA ARG 58 HA ARG 58 12.298 -8.008 -3.163 458 HB2 ARG 58 1HB ARG 58 10.286 -6.599 -3.542 459 HB3 ARG 58 2HB ARG 58 9.475 -7.967 -4.289 460 HG2 ARG 58 1HG ARG 58 9.578 -9.203 -2.170 461 HG3 ARG 58 2HG ARG 58 10.409 -7.824 -1.411 462 HD2 ARG 58 1HD ARG 58 7.717 -7.620 -2.727 463 HD3 ARG 58 2HD ARG 58 7.952 -7.980 -1.001 464 HE ARG 58 HE ARG 58 9.366 -5.615 -1.879 465 HH11 ARG 58 1HH1 ARG 58 6.281 -6.869 -0.759 466 HH12 ARG 58 2HH1 ARG 58 5.735 -5.326 -0.142 467 HH21 ARG 58 1HH2 ARG 58 8.646 -3.617 -1.074 468 HH22 ARG 58 2HH2 ARG 58 7.073 -3.484 -0.321 469 H ASP 59 H ASP 59 12.550 -9.951 -2.293 470 HA ASP 59 HA ASP 59 11.762 -12.319 -3.886 471 HB2 ASP 59 1HB ASP 59 13.201 -13.587 -2.406 472 HB3 ASP 59 2HB ASP 59 14.075 -12.162 -2.952 473 H GLY 60 H GLY 60 11.419 -14.238 -2.000 474 HA2 GLY 60 1HA GLY 60 8.608 -13.744 -1.419 475 HA3 GLY 60 2HA GLY 60 9.483 -15.241 -1.157 476 H ALA 61 H ALA 61 11.427 -13.021 0.232 477 HA ALA 61 HA ALA 61 10.330 -13.570 2.914 478 HB1 ALA 61 1HB ALA 61 12.489 -12.673 3.721 479 HB2 ALA 61 2HB ALA 61 12.720 -13.973 2.527 480 HB3 ALA 61 3HB ALA 61 12.939 -12.274 2.046 481 H GLY 62 H GLY 62 9.924 -11.217 0.615 482 HA2 GLY 62 1HA GLY 62 9.031 -9.045 0.799 483 HA3 GLY 62 2HA GLY 62 9.184 -9.130 2.543 484 H LYS 63 H LYS 63 12.003 -10.109 0.856 485 HA LYS 63 HA LYS 63 13.297 -7.534 1.628 486 HB2 LYS 63 1HB LYS 63 14.306 -10.386 1.474 487 HB3 LYS 63 2HB LYS 63 15.424 -9.029 1.446 488 HG2 LYS 63 1HG LYS 63 14.345 -8.253 3.623 489 HG3 LYS 63 2HG LYS 63 13.530 -9.822 3.663 490 HD2 LYS 63 1HD LYS 63 16.526 -9.645 3.299 491 HD3 LYS 63 2HD LYS 63 15.799 -9.557 4.910 492 HE2 LYS 63 1HE LYS 63 14.613 -11.727 4.415 493 HE3 LYS 63 2HE LYS 63 15.530 -11.829 2.910 494 HZ1 LYS 63 1HZ LYS 63 16.569 -13.070 4.663 495 HZ2 LYS 63 2HZ LYS 63 17.548 -11.822 4.208 496 HZ3 LYS 63 3HZ LYS 63 16.691 -11.728 5.613 497 H TYR 64 H TYR 64 15.062 -6.750 0.319 498 HA TYR 64 HA TYR 64 14.389 -7.118 -2.555 499 HB2 TYR 64 1HB TYR 64 15.775 -4.877 -1.039 500 HB3 TYR 64 2HB TYR 64 15.726 -4.952 -2.795 501 HD1 TYR 64 HD1 TYR 64 13.625 -4.705 0.254 502 HD2 TYR 64 HD2 TYR 64 13.811 -4.290 -4.013 503 HE1 TYR 64 HE1 TYR 64 11.421 -3.586 0.265 504 HE2 TYR 64 HE2 TYR 64 11.607 -3.171 -4.001 505 HH TYR 64 HH TYR 64 9.709 -2.862 -2.696 506 H PHE 65 H PHE 65 15.803 -7.775 -4.055 507 HA PHE 65 HA PHE 65 18.674 -7.919 -3.304 508 HB2 PHE 65 1HB PHE 65 18.927 -10.173 -4.080 509 HB3 PHE 65 2HB PHE 65 17.599 -10.177 -2.930 510 HD1 PHE 65 HD1 PHE 65 18.594 -10.734 -6.372 511 HD2 PHE 65 HD2 PHE 65 15.256 -10.347 -3.733 512 HE1 PHE 65 HE1 PHE 65 17.136 -11.794 -8.063 513 HE2 PHE 65 HE2 PHE 65 13.796 -11.409 -5.422 514 HZ PHE 65 HZ PHE 65 14.737 -12.131 -7.588 515 H LEU 66 H LEU 66 19.999 -8.581 -5.311 516 HA LEU 66 HA LEU 66 18.822 -7.336 -7.745 517 HB2 LEU 66 1HB LEU 66 20.207 -5.700 -6.331 518 HB3 LEU 66 2HB LEU 66 21.612 -6.680 -6.764 519 HG LEU 66 HG LEU 66 19.809 -5.251 -8.750 520 HD11 LEU 66 1HD1 LEU 66 21.703 -3.710 -9.001 521 HD12 LEU 66 2HD1 LEU 66 21.052 -3.687 -7.345 522 HD13 LEU 66 3HD1 LEU 66 22.565 -4.557 -7.693 523 HD21 LEU 66 1HD2 LEU 66 21.607 -5.828 -10.345 524 HD22 LEU 66 2HD2 LEU 66 22.468 -6.705 -9.058 525 HD23 LEU 66 3HD2 LEU 66 20.890 -7.292 -9.632 526 H TRP 67 H TRP 67 21.907 -8.737 -6.561 527 HA TRP 67 HA TRP 67 22.255 -10.022 -9.199 528 HB2 TRP 67 1HB TRP 67 24.127 -9.961 -6.800 529 HB3 TRP 67 2HB TRP 67 24.527 -10.526 -8.416 530 HD1 TRP 67 HD1 TRP 67 24.598 -7.468 -6.303 531 HE1 TRP 67 HE1 TRP 67 25.244 -5.394 -7.706 532 HE3 TRP 67 HE3 TRP 67 24.070 -9.489 -10.987 533 HZ2 TRP 67 HZ2 TRP 67 25.493 -4.731 -10.440 534 HZ3 TRP 67 HZ3 TRP 67 24.525 -8.081 -12.955 535 HH2 TRP 67 HH2 TRP 67 25.229 -5.739 -12.693 536 H VAL 68 H VAL 68 23.140 -12.303 -9.220 537 HA VAL 68 HA VAL 68 21.750 -14.191 -7.596 538 HB VAL 68 HB VAL 68 23.449 -15.808 -8.385 539 HG11 VAL 68 1HG1 VAL 68 23.082 -15.545 -10.790 540 HG12 VAL 68 2HG1 VAL 68 21.602 -15.233 -9.852 541 HG13 VAL 68 3HG1 VAL 68 22.535 -13.873 -10.523 542 HG21 VAL 68 1HG2 VAL 68 25.305 -15.020 -9.820 543 HG22 VAL 68 2HG2 VAL 68 24.822 -13.334 -9.516 544 HG23 VAL 68 3HG2 VAL 68 25.427 -14.342 -8.179 545 H VAL 69 H VAL 69 24.692 -12.324 -7.078 546 HA VAL 69 HA VAL 69 25.310 -13.570 -4.536 547 HB VAL 69 HB VAL 69 25.937 -10.811 -5.665 548 HG11 VAL 69 1HG1 VAL 69 27.573 -10.609 -3.857 549 HG12 VAL 69 2HG1 VAL 69 25.907 -10.709 -3.241 550 HG13 VAL 69 3HG1 VAL 69 26.977 -12.128 -3.149 551 HG21 VAL 69 1HG2 VAL 69 28.197 -11.778 -5.955 552 HG22 VAL 69 2HG2 VAL 69 27.613 -13.332 -5.314 553 HG23 VAL 69 3HG2 VAL 69 26.978 -12.709 -6.857 554 H LYS 70 H LYS 70 24.430 -13.283 -2.589 555 HA LYS 70 HA LYS 70 22.402 -11.123 -2.280 556 HB2 LYS 70 1HB LYS 70 21.173 -13.145 -2.922 557 HB3 LYS 70 2HB LYS 70 21.989 -14.077 -1.675 558 HG2 LYS 70 1HG LYS 70 19.831 -13.593 -0.842 559 HG3 LYS 70 2HG LYS 70 20.937 -12.524 0.033 560 HD2 LYS 70 1HD LYS 70 20.362 -10.662 -1.462 561 HD3 LYS 70 2HD LYS 70 19.307 -11.723 -2.407 562 HE2 LYS 70 1HE LYS 70 18.938 -11.083 0.542 563 HE3 LYS 70 2HE LYS 70 18.057 -10.310 -0.779 564 HZ1 LYS 70 1HZ LYS 70 16.803 -12.090 0.195 565 HZ2 LYS 70 2HZ LYS 70 17.173 -12.461 -1.370 566 HZ3 LYS 70 3HZ LYS 70 17.993 -13.182 -0.134 567 H PHE 71 H PHE 71 22.531 -10.053 -0.435 568 HA PHE 71 HA PHE 71 23.720 -11.484 1.905 569 HB2 PHE 71 1HB PHE 71 24.044 -8.586 1.055 570 HB3 PHE 71 2HB PHE 71 24.382 -9.131 2.691 571 HD1 PHE 71 HD1 PHE 71 25.367 -9.527 -0.855 572 HD2 PHE 71 HD2 PHE 71 26.391 -10.256 3.228 573 HE1 PHE 71 HE1 PHE 71 27.648 -10.186 -1.546 574 HE2 PHE 71 HE2 PHE 71 28.673 -10.912 2.541 575 HZ PHE 71 HZ PHE 71 29.301 -10.879 0.152 576 H ASN 72 H ASN 72 23.177 -9.594 3.844 577 HA ASN 72 HA ASN 72 20.550 -10.539 4.485 578 HB2 ASN 72 1HB ASN 72 22.414 -8.543 5.790 579 HB3 ASN 72 2HB ASN 72 20.820 -8.893 6.447 580 HD21 ASN 72 1HD2 ASN 72 23.911 -11.405 7.041 581 HD22 ASN 72 2HD2 ASN 72 24.060 -9.910 6.178 582 H SER 73 H SER 73 21.677 -7.683 2.891 583 HA SER 73 HA SER 73 18.915 -6.810 2.472 584 HB2 SER 73 1HB SER 73 19.150 -4.618 3.430 585 HB3 SER 73 2HB SER 73 19.530 -5.800 4.674 586 HG SER 73 HG SER 73 21.444 -5.083 4.767 587 H LEU 74 H LEU 74 18.735 -5.082 0.906 588 HA LEU 74 HA LEU 74 20.506 -5.083 -1.260 589 HB2 LEU 74 1HB LEU 74 18.276 -4.103 -1.378 590 HB3 LEU 74 2HB LEU 74 18.731 -2.844 -0.226 591 HG LEU 74 HG LEU 74 20.375 -1.972 -1.907 592 HD11 LEU 74 1HD1 LEU 74 20.182 -2.757 -4.224 593 HD12 LEU 74 2HD1 LEU 74 20.732 -4.052 -3.135 594 HD13 LEU 74 3HD1 LEU 74 19.044 -4.022 -3.701 595 HD21 LEU 74 1HD2 LEU 74 18.640 -0.975 -3.358 596 HD22 LEU 74 2HD2 LEU 74 17.479 -2.215 -2.823 597 HD23 LEU 74 3HD2 LEU 74 18.106 -1.021 -1.661 598 H ASN 75 H ASN 75 20.460 -2.886 1.557 599 HA ASN 75 HA ASN 75 22.555 -1.193 0.624 600 HB2 ASN 75 1HB ASN 75 21.503 -1.802 3.398 601 HB3 ASN 75 2HB ASN 75 22.783 -0.630 3.108 602 HD21 ASN 75 1HD2 ASN 75 19.462 1.060 3.185 603 HD22 ASN 75 2HD2 ASN 75 20.312 -0.000 4.257 604 H GLU 76 H GLU 76 22.599 -4.290 2.253 605 HA GLU 76 HA GLU 76 25.385 -4.088 3.058 606 HB2 GLU 76 1HB GLU 76 23.673 -5.529 4.214 607 HB3 GLU 76 2HB GLU 76 23.635 -6.566 2.796 608 HG2 GLU 76 1HG GLU 76 25.846 -7.313 3.136 609 HG3 GLU 76 2HG GLU 76 26.202 -6.015 4.274 610 H LEU 77 H LEU 77 23.612 -5.580 0.358 611 HA LEU 77 HA LEU 77 25.928 -7.103 -0.505 612 HB2 LEU 77 1HB LEU 77 24.533 -7.970 -2.192 613 HB3 LEU 77 2HB LEU 77 23.462 -7.720 -0.810 614 HG LEU 77 HG LEU 77 23.037 -5.382 -2.067 615 HD11 LEU 77 1HD1 LEU 77 22.997 -5.744 -4.495 616 HD12 LEU 77 2HD1 LEU 77 24.650 -5.839 -3.842 617 HD13 LEU 77 3HD1 LEU 77 23.776 -7.329 -4.271 618 HD21 LEU 77 1HD2 LEU 77 21.058 -6.466 -3.075 619 HD22 LEU 77 2HD2 LEU 77 21.808 -8.063 -2.831 620 HD23 LEU 77 3HD2 LEU 77 21.349 -7.071 -1.426 621 H VAL 78 H VAL 78 24.458 -4.022 -1.357 622 HA VAL 78 HA VAL 78 26.079 -3.591 -3.714 623 HB VAL 78 HB VAL 78 25.322 -1.258 -3.541 624 HG11 VAL 78 1HG1 VAL 78 22.906 -1.635 -3.629 625 HG12 VAL 78 2HG1 VAL 78 23.809 -2.888 -4.514 626 HG13 VAL 78 3HG1 VAL 78 23.132 -3.245 -2.907 627 HG21 VAL 78 1HG2 VAL 78 23.911 -0.550 -1.636 628 HG22 VAL 78 2HG2 VAL 78 24.176 -2.129 -0.856 629 HG23 VAL 78 3HG2 VAL 78 25.541 -1.012 -1.092 630 H ASP 79 H ASP 79 26.541 -3.178 -0.272 631 HA ASP 79 HA ASP 79 28.953 -1.590 -0.496 632 HB2 ASP 79 1HB ASP 79 27.564 -1.787 1.593 633 HB3 ASP 79 2HB ASP 79 28.094 -3.456 1.751 634 H TYR 80 H TYR 80 28.295 -5.089 -0.119 635 HA TYR 80 HA TYR 80 30.937 -6.023 -0.459 636 HB2 TYR 80 1HB TYR 80 29.166 -7.576 0.065 637 HB3 TYR 80 2HB TYR 80 28.274 -7.154 -1.390 638 HD1 TYR 80 HD1 TYR 80 31.449 -8.702 -0.202 639 HD2 TYR 80 HD2 TYR 80 28.605 -8.318 -3.390 640 HE1 TYR 80 HE1 TYR 80 32.567 -10.539 -1.420 641 HE2 TYR 80 HE2 TYR 80 29.722 -10.155 -4.609 642 HH TYR 80 HH TYR 80 31.375 -11.631 -4.601 643 H HIS 81 H HIS 81 28.510 -5.175 -2.939 644 HA HIS 81 HA HIS 81 30.515 -5.508 -5.078 645 HB2 HIS 81 1HB HIS 81 27.583 -4.758 -5.020 646 HB3 HIS 81 2HB HIS 81 28.549 -4.561 -6.475 647 HD2 HIS 81 HD2 HIS 81 26.444 -7.352 -4.806 648 HE1 HIS 81 HE1 HIS 81 29.132 -9.211 -7.520 649 H ARG 82 H ARG 82 30.150 -3.203 -2.805 650 HA ARG 82 HA ARG 82 31.038 -1.033 -4.592 651 HB2 ARG 82 1HB ARG 82 29.799 -0.455 -2.556 652 HB3 ARG 82 2HB ARG 82 30.999 -1.267 -1.562 653 HG2 ARG 82 1HG ARG 82 32.691 0.368 -2.203 654 HG3 ARG 82 2HG ARG 82 31.525 1.168 -3.286 655 HD2 ARG 82 1HD ARG 82 31.677 2.373 -1.229 656 HD3 ARG 82 2HD ARG 82 30.081 1.596 -1.345 657 HE ARG 82 HE ARG 82 30.607 0.248 0.450 658 HH11 ARG 82 1HH1 ARG 82 33.480 1.955 -0.633 659 HH12 ARG 82 2HH1 ARG 82 34.426 1.509 0.770 660 HH21 ARG 82 1HH2 ARG 82 31.845 -0.324 2.265 661 HH22 ARG 82 2HH2 ARG 82 33.502 0.219 2.411 662 H SER 83 H SER 83 32.412 -3.306 -2.214 663 HA SER 83 HA SER 83 35.132 -2.425 -2.583 664 HB2 SER 83 1HB SER 83 33.979 -5.045 -1.573 665 HB3 SER 83 2HB SER 83 35.685 -4.627 -1.516 666 HG SER 83 HG SER 83 33.515 -3.433 -0.215 667 H THR 84 H THR 84 33.100 -4.904 -4.100 668 HA THR 84 HA THR 84 35.330 -5.403 -6.028 669 HB THR 84 HB THR 84 33.208 -7.369 -5.063 670 HG1 THR 84 HG1 THR 84 34.949 -8.361 -4.057 671 HG21 THR 84 1HG2 THR 84 34.430 -9.006 -6.439 672 HG22 THR 84 2HG2 THR 84 33.784 -7.686 -7.444 673 HG23 THR 84 3HG2 THR 84 35.511 -7.717 -7.020 674 H SER 85 H SER 85 34.930 -5.282 -8.150 675 HA SER 85 HA SER 85 32.712 -3.788 -9.064 676 HB2 SER 85 1HB SER 85 34.715 -3.844 -10.369 677 HB3 SER 85 2HB SER 85 34.674 -5.595 -10.494 678 HG SER 85 HG SER 85 33.622 -5.286 -12.213 679 H VAL 86 H VAL 86 30.849 -4.286 -10.179 680 HA VAL 86 HA VAL 86 29.634 -6.841 -9.500 681 HB VAL 86 HB VAL 86 27.655 -5.950 -10.671 682 HG11 VAL 86 1HG1 VAL 86 27.275 -3.972 -9.284 683 HG12 VAL 86 2HG1 VAL 86 28.036 -5.293 -8.366 684 HG13 VAL 86 3HG1 VAL 86 29.013 -3.905 -8.905 685 HG21 VAL 86 1HG2 VAL 86 27.748 -3.704 -11.705 686 HG22 VAL 86 2HG2 VAL 86 29.500 -3.638 -11.401 687 HG23 VAL 86 3HG2 VAL 86 28.838 -4.840 -12.535 688 H SER 87 H SER 87 31.661 -5.799 -11.993 689 HA SER 87 HA SER 87 30.708 -7.964 -13.795 690 HB2 SER 87 1HB SER 87 29.646 -5.969 -14.647 691 HB3 SER 87 2HB SER 87 31.146 -5.060 -14.549 692 HG SER 87 HG SER 87 30.272 -6.862 -16.396 693 H ARG 88 H ARG 88 32.258 -8.886 -15.107 694 HA ARG 88 HA ARG 88 35.057 -8.249 -14.398 695 HB2 ARG 88 1HB ARG 88 33.842 -10.482 -16.060 696 HB3 ARG 88 2HB ARG 88 35.563 -10.291 -15.765 697 HG2 ARG 88 1HG ARG 88 35.190 -10.579 -13.350 698 HG3 ARG 88 2HG ARG 88 33.446 -10.780 -13.654 699 HD2 ARG 88 1HD ARG 88 33.912 -12.722 -15.034 700 HD3 ARG 88 2HD ARG 88 35.653 -12.521 -14.730 701 HE ARG 88 HE ARG 88 34.307 -12.655 -12.249 702 HH11 ARG 88 1HH1 ARG 88 35.093 -14.691 -15.002 703 HH12 ARG 88 2HH1 ARG 88 35.115 -16.167 -14.063 704 HH21 ARG 88 1HH2 ARG 88 34.339 -14.578 -11.041 705 HH22 ARG 88 2HH2 ARG 88 34.689 -16.104 -11.821 706 H ASN 89 H ASN 89 32.837 -7.174 -16.605 707 HA ASN 89 HA ASN 89 34.931 -6.722 -18.688 708 HB2 ASN 89 1HB ASN 89 31.903 -6.677 -18.909 709 HB3 ASN 89 2HB ASN 89 33.006 -6.240 -20.207 710 HD21 ASN 89 1HD2 ASN 89 31.872 -9.911 -20.148 711 HD22 ASN 89 2HD2 ASN 89 30.999 -8.473 -19.736 712 H GLN 90 H GLN 90 32.648 -5.205 -16.512 713 HA GLN 90 HA GLN 90 33.743 -2.560 -17.372 714 HB2 GLN 90 1HB GLN 90 30.946 -3.046 -16.281 715 HB3 GLN 90 2HB GLN 90 31.596 -1.533 -16.892 716 HG2 GLN 90 1HG GLN 90 31.833 -2.615 -19.139 717 HG3 GLN 90 2HG GLN 90 30.971 -4.030 -18.473 718 HE21 GLN 90 1HE2 GLN 90 27.846 -2.253 -18.098 719 HE22 GLN 90 2HE2 GLN 90 28.872 -3.352 -17.238 720 H GLN 91 H GLN 91 34.553 -1.267 -15.853 721 HA GLN 91 HA GLN 91 34.879 -2.437 -13.183 722 HB2 GLN 91 1HB GLN 91 35.972 0.116 -14.431 723 HB3 GLN 91 2HB GLN 91 36.377 -0.452 -12.817 724 HG2 GLN 91 1HG GLN 91 36.884 -2.041 -15.337 725 HG3 GLN 91 2HG GLN 91 38.077 -0.970 -14.549 726 HE21 GLN 91 1HE2 GLN 91 37.670 -4.766 -13.361 727 HE22 GLN 91 2HE2 GLN 91 37.017 -4.117 -14.829 728 H ILE 92 H ILE 92 32.543 -2.279 -12.714 729 HA ILE 92 HA ILE 92 31.763 0.488 -11.911 730 HB ILE 92 HB ILE 92 29.956 -1.927 -12.354 731 HG12 ILE 92 1HG1 ILE 92 30.585 0.403 -14.179 732 HG13 ILE 92 2HG1 ILE 92 30.988 -1.284 -14.452 733 HG21 ILE 92 1HG2 ILE 92 28.158 -0.245 -12.303 734 HG22 ILE 92 2HG2 ILE 92 29.067 -0.256 -10.774 735 HG23 ILE 92 3HG2 ILE 92 29.355 1.029 -11.969 736 HD11 ILE 92 1HD1 ILE 92 29.049 -0.623 -15.761 737 HD12 ILE 92 2HD1 ILE 92 28.600 -1.852 -14.553 738 HD13 ILE 92 3HD1 ILE 92 28.191 -0.141 -14.279 739 H PHE 93 H PHE 93 32.037 0.922 -9.851 740 HA PHE 93 HA PHE 93 31.541 -1.277 -7.885 741 HB2 PHE 93 1HB PHE 93 33.370 1.139 -7.578 742 HB3 PHE 93 2HB PHE 93 33.111 -0.116 -6.377 743 HD1 PHE 93 HD1 PHE 93 34.337 0.420 -9.853 744 HD2 PHE 93 HD2 PHE 93 34.442 -2.026 -6.352 745 HE1 PHE 93 HE1 PHE 93 36.190 -0.895 -10.828 746 HE2 PHE 93 HE2 PHE 93 36.297 -3.341 -7.323 747 HZ PHE 93 HZ PHE 93 37.170 -2.775 -9.562 748 H LEU 94 H LEU 94 29.817 -1.037 -6.656 749 HA LEU 94 HA LEU 94 28.165 1.301 -7.033 750 HB2 LEU 94 1HB LEU 94 27.875 -1.054 -5.133 751 HB3 LEU 94 2HB LEU 94 26.625 0.153 -5.452 752 HG LEU 94 HG LEU 94 27.713 -1.940 -7.356 753 HD11 LEU 94 1HD1 LEU 94 25.362 -2.646 -7.395 754 HD12 LEU 94 2HD1 LEU 94 26.034 -2.687 -5.748 755 HD13 LEU 94 3HD1 LEU 94 24.956 -1.357 -6.237 756 HD21 LEU 94 1HD2 LEU 94 26.200 -0.944 -9.038 757 HD22 LEU 94 2HD2 LEU 94 25.805 0.371 -7.903 758 HD23 LEU 94 3HD2 LEU 94 27.458 0.214 -8.542 759 H ARG 95 H ARG 95 29.612 2.954 -6.239 760 HA ARG 95 HA ARG 95 30.219 2.930 -3.360 761 HB2 ARG 95 1HB ARG 95 30.802 4.984 -5.520 762 HB3 ARG 95 2HB ARG 95 31.352 5.094 -3.856 763 HG2 ARG 95 1HG ARG 95 32.628 2.982 -4.170 764 HG3 ARG 95 2HG ARG 95 32.137 2.986 -5.882 765 HD2 ARG 95 1HD ARG 95 33.203 5.153 -6.173 766 HD3 ARG 95 2HD ARG 95 33.710 5.128 -4.468 767 HE ARG 95 HE ARG 95 35.221 3.367 -4.955 768 HH11 ARG 95 1HH1 ARG 95 33.564 4.600 -7.796 769 HH12 ARG 95 2HH1 ARG 95 34.721 3.922 -8.920 770 HH21 ARG 95 1HH2 ARG 95 36.717 2.494 -6.422 771 HH22 ARG 95 2HH2 ARG 95 36.506 2.731 -8.143 772 H ASP 96 H ASP 96 29.665 4.687 -1.946 773 HA ASP 96 HA ASP 96 26.947 5.711 -2.456 774 HB2 ASP 96 1HB ASP 96 28.771 5.780 -0.025 775 HB3 ASP 96 2HB ASP 96 27.219 6.605 -0.078 Start of MODEL 5 1 H1 MET 1 1H MET 1 -1.373 3.513 -4.679 2 H2 MET 1 2H MET 1 -0.948 4.868 -3.873 3 H3 MET 1 3H MET 1 -0.293 4.548 -5.333 4 HA MET 1 HA MET 1 0.097 3.012 -2.892 5 HB2 MET 1 1HB MET 1 1.208 2.646 -5.700 6 HB3 MET 1 2HB MET 1 1.814 1.801 -4.283 7 HG2 MET 1 1HG MET 1 -0.380 0.737 -3.963 8 HG3 MET 1 2HG MET 1 -1.011 1.602 -5.366 9 HE1 MET 1 1HE MET 1 2.128 -1.784 -5.475 10 HE2 MET 1 2HE MET 1 2.453 -0.226 -4.677 11 HE3 MET 1 3HE MET 1 1.188 -1.305 -4.043 12 H LYS 2 H LYS 2 1.061 4.412 -1.574 13 HA LYS 2 HA LYS 2 2.922 6.423 -2.448 14 HB2 LYS 2 1HB LYS 2 1.660 6.548 -0.306 15 HB3 LYS 2 2HB LYS 2 2.567 5.172 0.306 16 HG2 LYS 2 1HG LYS 2 4.651 6.462 0.190 17 HG3 LYS 2 2HG LYS 2 3.770 7.841 -0.483 18 HD2 LYS 2 1HD LYS 2 2.400 7.975 1.570 19 HD3 LYS 2 2HD LYS 2 3.268 6.587 2.242 20 HE2 LYS 2 1HE LYS 2 5.386 7.861 2.138 21 HE3 LYS 2 2HE LYS 2 4.523 9.246 1.466 22 HZ1 LYS 2 1HZ LYS 2 4.849 9.468 3.817 23 HZ2 LYS 2 2HZ LYS 2 3.237 9.353 3.489 24 HZ3 LYS 2 3HZ LYS 2 4.044 8.060 4.117 25 HA PRO 3 HA PRO 3 6.263 3.700 -3.090 26 HB2 PRO 3 1HB PRO 3 8.101 5.528 -3.966 27 HB3 PRO 3 2HB PRO 3 6.705 5.065 -4.948 28 HG2 PRO 3 1HG PRO 3 7.040 7.489 -3.127 29 HG3 PRO 3 2HG PRO 3 6.462 7.448 -4.795 30 HD2 PRO 3 1HD PRO 3 4.726 7.507 -2.694 31 HD3 PRO 3 2HD PRO 3 4.350 6.585 -4.205 32 H HIS 4 H HIS 4 8.703 3.666 -2.486 33 HA HIS 4 HA HIS 4 8.962 3.858 0.352 34 HB2 HIS 4 1HB HIS 4 10.966 3.480 -1.886 35 HB3 HIS 4 2HB HIS 4 11.469 3.582 -0.205 36 HD2 HIS 4 HD2 HIS 4 9.920 1.031 -2.660 37 HE1 HIS 4 HE1 HIS 4 10.025 -0.781 1.195 38 HA PRO 5 HA PRO 5 10.200 8.061 0.806 39 HB2 PRO 5 1HB PRO 5 11.017 7.970 3.408 40 HB3 PRO 5 2HB PRO 5 9.305 7.872 2.973 41 HG2 PRO 5 1HG PRO 5 11.241 5.618 3.642 42 HG3 PRO 5 2HG PRO 5 9.598 5.865 4.240 43 HD2 PRO 5 1HD PRO 5 10.158 4.178 2.145 44 HD3 PRO 5 2HD PRO 5 8.600 5.090 2.263 45 H TRP 6 H TRP 6 12.123 5.238 0.886 46 HA TRP 6 HA TRP 6 14.665 6.336 1.614 47 HB2 TRP 6 1HB TRP 6 13.960 3.953 -0.144 48 HB3 TRP 6 2HB TRP 6 15.582 4.324 0.420 49 HD1 TRP 6 HD1 TRP 6 12.569 2.402 1.377 50 HE1 TRP 6 HE1 TRP 6 12.746 1.540 3.808 51 HE3 TRP 6 HE3 TRP 6 16.550 5.238 2.931 52 HZ2 TRP 6 HZ2 TRP 6 14.374 2.012 6.066 53 HZ3 TRP 6 HZ3 TRP 6 17.368 4.986 5.241 54 HH2 TRP 6 HH2 TRP 6 16.303 3.397 6.788 55 H PHE 7 H PHE 7 16.359 7.113 0.412 56 HA PHE 7 HA PHE 7 17.225 8.536 -1.187 57 HB2 PHE 7 1HB PHE 7 16.185 6.154 -2.646 58 HB3 PHE 7 2HB PHE 7 16.535 7.560 -3.640 59 HD1 PHE 7 HD1 PHE 7 17.960 5.012 -1.411 60 HD2 PHE 7 HD2 PHE 7 18.796 8.346 -3.949 61 HE1 PHE 7 HE1 PHE 7 20.360 4.420 -1.394 62 HE2 PHE 7 HE2 PHE 7 21.196 7.755 -3.938 63 HZ PHE 7 HZ PHE 7 21.978 5.793 -2.659 64 H PHE 8 H PHE 8 14.907 7.837 -3.631 65 HA PHE 8 HA PHE 8 13.667 10.515 -3.169 66 HB2 PHE 8 1HB PHE 8 14.788 9.407 -5.771 67 HB3 PHE 8 2HB PHE 8 13.785 10.845 -5.667 68 HD1 PHE 8 HD1 PHE 8 17.024 9.381 -4.617 69 HD2 PHE 8 HD2 PHE 8 14.692 12.934 -5.054 70 HE1 PHE 8 HE1 PHE 8 19.036 10.751 -4.188 71 HE2 PHE 8 HE2 PHE 8 16.704 14.309 -4.629 72 HZ PHE 8 HZ PHE 8 18.876 13.215 -4.195 73 H GLY 9 H GLY 9 12.916 7.500 -2.955 74 HA2 GLY 9 1HA GLY 9 11.029 6.206 -3.337 75 HA3 GLY 9 2HA GLY 9 10.165 7.725 -3.478 76 H LYS 10 H LYS 10 8.994 7.782 -5.282 77 HA LYS 10 HA LYS 10 9.782 6.180 -7.611 78 HB2 LYS 10 1HB LYS 10 7.406 6.326 -6.819 79 HB3 LYS 10 2HB LYS 10 7.396 8.034 -7.240 80 HG2 LYS 10 1HG LYS 10 7.789 7.467 -9.603 81 HG3 LYS 10 2HG LYS 10 7.821 5.748 -9.187 82 HD2 LYS 10 1HD LYS 10 5.513 5.805 -8.467 83 HD3 LYS 10 2HD LYS 10 5.457 7.568 -8.613 84 HE2 LYS 10 1HE LYS 10 5.891 7.334 -11.069 85 HE3 LYS 10 2HE LYS 10 5.812 5.581 -10.885 86 HZ1 LYS 10 1HZ LYS 10 3.725 6.486 -11.600 87 HZ2 LYS 10 2HZ LYS 10 3.557 5.820 -10.100 88 HZ3 LYS 10 3HZ LYS 10 3.630 7.459 -10.272 89 H ILE 11 H ILE 11 11.765 7.927 -7.303 90 HA ILE 11 HA ILE 11 11.456 10.272 -8.951 91 HB ILE 11 HB ILE 11 13.373 9.722 -7.293 92 HG12 ILE 11 1HG1 ILE 11 13.990 10.815 -10.048 93 HG13 ILE 11 2HG1 ILE 11 13.308 11.717 -8.703 94 HG21 ILE 11 1HG2 ILE 11 15.325 8.622 -8.311 95 HG22 ILE 11 2HG2 ILE 11 13.937 7.513 -8.231 96 HG23 ILE 11 3HG2 ILE 11 14.374 8.280 -9.776 97 HD11 ILE 11 1HD1 ILE 11 15.686 12.160 -8.939 98 HD12 ILE 11 2HD1 ILE 11 15.353 11.339 -7.395 99 HD13 ILE 11 3HD1 ILE 11 16.046 10.427 -8.758 100 HA PRO 12 HA PRO 12 11.579 8.386 -12.959 101 HB2 PRO 12 1HB PRO 12 12.245 10.600 -14.416 102 HB3 PRO 12 2HB PRO 12 10.627 10.391 -13.733 103 HG2 PRO 12 1HG PRO 12 12.992 11.949 -12.587 104 HG3 PRO 12 2HG PRO 12 11.339 12.515 -12.837 105 HD2 PRO 12 1HD PRO 12 12.128 11.625 -10.408 106 HD3 PRO 12 2HD PRO 12 10.470 11.253 -11.030 107 H ARG 13 H ARG 13 13.208 7.552 -14.263 108 HA ARG 13 HA ARG 13 15.911 7.533 -13.456 109 HB2 ARG 13 1HB ARG 13 14.681 6.011 -15.140 110 HB3 ARG 13 2HB ARG 13 15.030 7.249 -16.337 111 HG2 ARG 13 1HG ARG 13 17.413 6.502 -14.831 112 HG3 ARG 13 2HG ARG 13 16.647 5.114 -15.642 113 HD2 ARG 13 1HD ARG 13 17.491 7.712 -16.903 114 HD3 ARG 13 2HD ARG 13 18.262 6.121 -17.093 115 HE ARG 13 HE ARG 13 15.613 5.782 -17.859 116 HH11 ARG 13 1HH1 ARG 13 18.345 7.744 -18.873 117 HH12 ARG 13 2HH1 ARG 13 17.835 7.814 -20.544 118 HH21 ARG 13 1HH2 ARG 13 14.960 5.881 -20.031 119 HH22 ARG 13 2HH2 ARG 13 15.919 6.761 -21.201 120 H ALA 14 H ALA 14 14.191 9.687 -15.694 121 HA ALA 14 HA ALA 14 16.166 11.219 -16.793 122 HB1 ALA 14 1HB ALA 14 14.682 13.180 -16.524 123 HB2 ALA 14 2HB ALA 14 13.777 11.733 -17.025 124 HB3 ALA 14 3HB ALA 14 13.717 12.278 -15.333 125 H LYS 15 H LYS 15 14.905 11.829 -13.482 126 HA LYS 15 HA LYS 15 16.795 13.989 -13.132 127 HB2 LYS 15 1HB LYS 15 14.444 13.691 -12.066 128 HB3 LYS 15 2HB LYS 15 15.246 12.644 -10.902 129 HG2 LYS 15 1HG LYS 15 15.099 14.801 -9.921 130 HG3 LYS 15 2HG LYS 15 16.796 14.560 -10.364 131 HD2 LYS 15 1HD LYS 15 16.349 15.828 -12.496 132 HD3 LYS 15 2HD LYS 15 14.724 16.177 -11.890 133 HE2 LYS 15 1HE LYS 15 15.638 17.374 -9.977 134 HE3 LYS 15 2HE LYS 15 17.283 16.914 -10.426 135 HZ1 LYS 15 1HZ LYS 15 16.769 19.138 -11.117 136 HZ2 LYS 15 2HZ LYS 15 17.028 18.189 -12.441 137 HZ3 LYS 15 3HZ LYS 15 15.491 18.620 -12.022 138 H ALA 16 H ALA 16 16.647 10.613 -12.092 139 HA ALA 16 HA ALA 16 18.659 10.799 -10.085 140 HB1 ALA 16 1HB ALA 16 18.794 8.338 -10.291 141 HB2 ALA 16 2HB ALA 16 17.108 8.903 -10.235 142 HB3 ALA 16 3HB ALA 16 17.832 8.418 -11.785 143 H GLU 17 H GLU 17 18.837 10.099 -13.559 144 HA GLU 17 HA GLU 17 21.693 9.634 -13.542 145 HB2 GLU 17 1HB GLU 17 19.771 10.366 -15.787 146 HB3 GLU 17 2HB GLU 17 21.464 9.960 -16.033 147 HG2 GLU 17 1HG GLU 17 20.966 7.739 -14.896 148 HG3 GLU 17 2HG GLU 17 19.261 8.169 -15.011 149 H GLU 18 H GLU 18 19.620 12.449 -14.185 150 HA GLU 18 HA GLU 18 21.603 14.267 -15.015 151 HB2 GLU 18 1HB GLU 18 19.170 14.750 -15.039 152 HB3 GLU 18 2HB GLU 18 19.155 14.805 -13.283 153 HG2 GLU 18 1HG GLU 18 20.677 16.740 -13.327 154 HG3 GLU 18 2HG GLU 18 20.696 16.683 -15.088 155 H MET 19 H MET 19 20.602 13.344 -11.726 156 HA MET 19 HA MET 19 22.248 15.169 -10.314 157 HB2 MET 19 1HB MET 19 21.231 12.393 -9.625 158 HB3 MET 19 2HB MET 19 22.158 13.364 -8.490 159 HG2 MET 19 1HG MET 19 20.424 15.143 -8.639 160 HG3 MET 19 2HG MET 19 19.484 14.104 -9.711 161 HE1 MET 19 1HE MET 19 17.191 12.565 -7.285 162 HE2 MET 19 2HE MET 19 17.334 14.014 -8.312 163 HE3 MET 19 3HE MET 19 17.808 12.420 -8.949 164 H LEU 20 H LEU 20 22.959 11.912 -11.565 165 HA LEU 20 HA LEU 20 25.518 11.806 -10.203 166 HB2 LEU 20 1HB LEU 20 24.413 10.076 -12.445 167 HB3 LEU 20 2HB LEU 20 25.832 9.708 -11.461 168 HG LEU 20 HG LEU 20 23.000 9.940 -10.384 169 HD11 LEU 20 1HD1 LEU 20 23.093 7.492 -10.244 170 HD12 LEU 20 2HD1 LEU 20 23.228 8.059 -11.925 171 HD13 LEU 20 3HD1 LEU 20 24.678 7.506 -11.053 172 HD21 LEU 20 1HD2 LEU 20 24.004 8.903 -8.378 173 HD22 LEU 20 2HD2 LEU 20 25.602 8.936 -9.160 174 HD23 LEU 20 3HD2 LEU 20 24.780 10.461 -8.750 175 H SER 21 H SER 21 24.417 12.541 -13.487 176 HA SER 21 HA SER 21 27.028 12.609 -14.676 177 HB2 SER 21 1HB SER 21 25.951 13.702 -16.534 178 HB3 SER 21 2HB SER 21 24.882 12.443 -15.936 179 HG SER 21 HG SER 21 24.129 14.355 -14.555 180 H LYS 22 H LYS 22 25.214 14.878 -12.739 181 HA LYS 22 HA LYS 22 27.177 17.022 -13.227 182 HB2 LYS 22 1HB LYS 22 24.799 16.791 -11.346 183 HB3 LYS 22 2HB LYS 22 25.864 18.189 -11.393 184 HG2 LYS 22 1HG LYS 22 25.258 18.577 -13.755 185 HG3 LYS 22 2HG LYS 22 24.183 17.172 -13.703 186 HD2 LYS 22 1HD LYS 22 22.881 18.254 -11.882 187 HD3 LYS 22 2HD LYS 22 23.940 19.668 -11.982 188 HE2 LYS 22 1HE LYS 22 23.258 20.019 -14.330 189 HE3 LYS 22 2HE LYS 22 22.211 18.601 -14.245 190 HZ1 LYS 22 1HZ LYS 22 20.988 20.619 -13.903 191 HZ2 LYS 22 2HZ LYS 22 20.949 19.706 -12.530 192 HZ3 LYS 22 3HZ LYS 22 21.926 21.032 -12.611 193 H GLN 23 H GLN 23 26.473 14.515 -10.866 194 HA GLN 23 HA GLN 23 28.179 15.496 -8.788 195 HB2 GLN 23 1HB GLN 23 26.417 13.707 -8.532 196 HB3 GLN 23 2HB GLN 23 27.468 12.602 -9.405 197 HG2 GLN 23 1HG GLN 23 27.717 12.168 -7.085 198 HG3 GLN 23 2HG GLN 23 29.211 12.973 -7.640 199 HE21 GLN 23 1HE2 GLN 23 29.038 15.350 -5.138 200 HE22 GLN 23 2HE2 GLN 23 29.978 14.317 -6.161 201 H ARG 24 H ARG 24 28.762 13.472 -11.628 202 HA ARG 24 HA ARG 24 30.712 12.670 -12.554 203 HB2 ARG 24 1HB ARG 24 31.610 15.209 -11.212 204 HB3 ARG 24 2HB ARG 24 32.812 14.144 -11.928 205 HG2 ARG 24 1HG ARG 24 32.436 15.453 -13.729 206 HG3 ARG 24 2HG ARG 24 31.105 14.303 -14.004 207 HD2 ARG 24 1HD ARG 24 29.525 15.768 -13.074 208 HD3 ARG 24 2HD ARG 24 30.790 16.831 -12.417 209 HE ARG 24 HE ARG 24 30.964 16.587 -15.277 210 HH11 ARG 24 1HH1 ARG 24 29.236 18.195 -12.676 211 HH12 ARG 24 2HH1 ARG 24 28.802 19.581 -13.652 212 HH21 ARG 24 1HH2 ARG 24 30.394 18.390 -16.534 213 HH22 ARG 24 2HH2 ARG 24 29.457 19.692 -15.836 214 H HIS 25 H HIS 25 29.883 11.422 -10.165 215 HA HIS 25 HA HIS 25 32.528 10.705 -8.946 216 HB2 HIS 25 1HB HIS 25 30.949 11.691 -7.319 217 HB3 HIS 25 2HB HIS 25 29.745 10.481 -7.741 218 HD2 HIS 25 HD2 HIS 25 31.275 7.619 -7.340 219 HE1 HIS 25 HE1 HIS 25 32.737 9.311 -3.727 220 H ASP 26 H ASP 26 33.104 9.161 -10.442 221 HA ASP 26 HA ASP 26 31.431 7.194 -11.546 222 HB2 ASP 26 1HB ASP 26 33.656 7.542 -12.426 223 HB3 ASP 26 2HB ASP 26 34.398 7.129 -10.887 224 H GLY 27 H GLY 27 30.442 5.450 -10.822 225 HA2 GLY 27 1HA GLY 27 30.438 3.396 -9.513 226 HA3 GLY 27 2HA GLY 27 31.410 4.193 -8.291 227 H ALA 28 H ALA 28 29.707 6.688 -8.587 228 HA ALA 28 HA ALA 28 27.940 6.170 -6.423 229 HB1 ALA 28 1HB ALA 28 27.027 8.419 -6.901 230 HB2 ALA 28 2HB ALA 28 28.806 8.411 -6.925 231 HB3 ALA 28 3HB ALA 28 27.895 8.433 -8.452 232 H PHE 29 H PHE 29 25.665 6.149 -6.297 233 HA PHE 29 HA PHE 29 24.262 5.333 -8.776 234 HB2 PHE 29 1HB PHE 29 23.473 3.236 -7.759 235 HB3 PHE 29 2HB PHE 29 25.224 3.243 -7.906 236 HD1 PHE 29 HD1 PHE 29 22.393 3.314 -5.594 237 HD2 PHE 29 HD2 PHE 29 26.650 3.398 -5.936 238 HE1 PHE 29 HE1 PHE 29 22.594 2.799 -3.185 239 HE2 PHE 29 HE2 PHE 29 26.856 2.879 -3.527 240 HZ PHE 29 HZ PHE 29 24.826 2.581 -2.152 241 H LEU 30 H LEU 30 21.971 5.259 -8.581 242 HA LEU 30 HA LEU 30 20.908 6.428 -6.047 243 HB2 LEU 30 1HB LEU 30 21.015 7.997 -8.106 244 HB3 LEU 30 2HB LEU 30 19.717 7.001 -8.768 245 HG LEU 30 HG LEU 30 19.339 8.149 -6.025 246 HD11 LEU 30 1HD1 LEU 30 18.548 10.262 -6.991 247 HD12 LEU 30 2HD1 LEU 30 20.285 10.013 -7.287 248 HD13 LEU 30 3HD1 LEU 30 19.111 9.739 -8.596 249 HD21 LEU 30 1HD2 LEU 30 17.015 8.279 -6.854 250 HD22 LEU 30 2HD2 LEU 30 17.555 7.728 -8.458 251 HD23 LEU 30 3HD2 LEU 30 17.675 6.639 -7.055 252 H ILE 31 H ILE 31 19.711 4.969 -5.063 253 HA ILE 31 HA ILE 31 18.336 2.893 -6.653 254 HB ILE 31 HB ILE 31 18.795 3.265 -3.670 255 HG12 ILE 31 1HG1 ILE 31 19.630 0.972 -5.441 256 HG13 ILE 31 2HG1 ILE 31 20.616 2.414 -5.261 257 HG21 ILE 31 1HG2 ILE 31 17.638 1.115 -3.361 258 HG22 ILE 31 2HG2 ILE 31 16.535 2.346 -4.020 259 HG23 ILE 31 3HG2 ILE 31 17.209 1.092 -5.089 260 HD11 ILE 31 1HD1 ILE 31 21.352 0.653 -3.754 261 HD12 ILE 31 2HD1 ILE 31 20.733 2.046 -2.835 262 HD13 ILE 31 3HD1 ILE 31 19.734 0.584 -3.017 263 H ARG 32 H ARG 32 16.226 2.810 -7.047 264 HA ARG 32 HA ARG 32 14.431 4.690 -5.616 265 HB2 ARG 32 1HB ARG 32 13.621 5.719 -7.603 266 HB3 ARG 32 2HB ARG 32 15.372 5.829 -7.670 267 HG2 ARG 32 1HG ARG 32 15.269 3.702 -9.122 268 HG3 ARG 32 2HG ARG 32 13.535 4.071 -9.278 269 HD2 ARG 32 1HD ARG 32 14.035 6.226 -10.192 270 HD3 ARG 32 2HD ARG 32 15.775 5.971 -9.929 271 HE ARG 32 HE ARG 32 15.839 4.503 -11.738 272 HH11 ARG 32 1HH1 ARG 32 12.557 5.584 -11.103 273 HH12 ARG 32 2HH1 ARG 32 11.941 5.021 -12.640 274 HH21 ARG 32 1HH2 ARG 32 15.026 3.777 -13.730 275 HH22 ARG 32 2HH2 ARG 32 13.337 3.999 -14.128 276 H GLU 33 H GLU 33 12.130 4.345 -6.184 277 HA GLU 33 HA GLU 33 11.577 1.477 -6.576 278 HB2 GLU 33 1HB GLU 33 10.422 2.843 -4.799 279 HB3 GLU 33 2HB GLU 33 9.638 3.768 -6.071 280 HG2 GLU 33 1HG GLU 33 8.370 1.912 -6.798 281 HG3 GLU 33 2HG GLU 33 9.365 0.772 -5.897 282 H SER 34 H SER 34 10.650 0.553 -8.301 283 HA SER 34 HA SER 34 10.900 1.841 -10.825 284 HB2 SER 34 1HB SER 34 11.016 -0.563 -10.649 285 HB3 SER 34 2HB SER 34 9.398 -0.648 -9.967 286 HG SER 34 HG SER 34 10.205 -0.492 -12.522 287 H GLU 35 H GLU 35 9.515 2.850 -12.172 288 HA GLU 35 HA GLU 35 6.980 3.792 -11.034 289 HB2 GLU 35 1HB GLU 35 8.278 4.301 -13.743 290 HB3 GLU 35 2HB GLU 35 6.822 5.094 -13.157 291 HG2 GLU 35 1HG GLU 35 8.214 5.935 -11.202 292 HG3 GLU 35 2HG GLU 35 9.628 5.346 -12.073 293 H SER 36 H SER 36 7.998 1.104 -12.803 294 HA SER 36 HA SER 36 5.336 0.832 -14.128 295 HB2 SER 36 1HB SER 36 6.425 -0.701 -15.678 296 HB3 SER 36 2HB SER 36 7.263 0.842 -15.661 297 HG SER 36 HG SER 36 8.033 -1.235 -13.962 298 H ALA 37 H ALA 37 7.519 -0.510 -11.789 299 HA ALA 37 HA ALA 37 5.440 -2.540 -11.172 300 HB1 ALA 37 1HB ALA 37 7.191 -4.218 -10.686 301 HB2 ALA 37 2HB ALA 37 7.206 -3.727 -12.397 302 HB3 ALA 37 3HB ALA 37 8.430 -3.085 -11.277 303 HA PRO 38 HA PRO 38 6.521 0.156 -7.588 304 HB2 PRO 38 1HB PRO 38 3.655 -0.746 -7.077 305 HB3 PRO 38 2HB PRO 38 4.400 0.821 -6.740 306 HG2 PRO 38 1HG PRO 38 2.860 0.609 -8.894 307 HG3 PRO 38 2HG PRO 38 4.392 1.477 -9.031 308 HD2 PRO 38 1HD PRO 38 3.713 -1.362 -9.884 309 HD3 PRO 38 2HD PRO 38 4.705 -0.117 -10.746 310 H GLY 39 H GLY 39 7.178 -0.582 -5.597 311 HA2 GLY 39 1HA GLY 39 7.164 -2.150 -3.752 312 HA3 GLY 39 2HA GLY 39 6.464 -3.365 -4.804 313 H ASP 40 H ASP 40 8.409 -2.491 -6.993 314 HA ASP 40 HA ASP 40 10.770 -3.978 -5.944 315 HB2 ASP 40 1HB ASP 40 9.639 -3.583 -8.726 316 HB3 ASP 40 2HB ASP 40 11.306 -4.091 -8.491 317 H PHE 41 H PHE 41 12.900 -3.309 -6.604 318 HA PHE 41 HA PHE 41 13.048 -0.331 -6.671 319 HB2 PHE 41 1HB PHE 41 14.772 -2.481 -5.452 320 HB3 PHE 41 2HB PHE 41 15.513 -0.955 -5.909 321 HD1 PHE 41 HD1 PHE 41 12.925 0.699 -5.297 322 HD2 PHE 41 HD2 PHE 41 15.183 -2.192 -3.107 323 HE1 PHE 41 HE1 PHE 41 12.157 1.710 -3.175 324 HE2 PHE 41 HE2 PHE 41 14.416 -1.186 -0.982 325 HZ PHE 41 HZ PHE 41 12.903 0.766 -1.018 326 H SER 42 H SER 42 14.492 0.739 -8.061 327 HA SER 42 HA SER 42 16.130 -1.046 -9.814 328 HB2 SER 42 1HB SER 42 15.073 1.750 -10.335 329 HB3 SER 42 2HB SER 42 16.266 0.950 -11.346 330 HG SER 42 HG SER 42 14.769 -0.134 -12.210 331 H LEU 43 H LEU 43 18.297 -0.520 -10.154 332 HA LEU 43 HA LEU 43 19.383 1.584 -8.329 333 HB2 LEU 43 1HB LEU 43 19.852 -0.929 -7.803 334 HB3 LEU 43 2HB LEU 43 20.951 -0.852 -9.183 335 HG LEU 43 HG LEU 43 21.267 1.224 -7.050 336 HD11 LEU 43 1HD1 LEU 43 22.610 -0.318 -5.694 337 HD12 LEU 43 2HD1 LEU 43 20.905 -0.821 -5.767 338 HD13 LEU 43 3HD1 LEU 43 22.126 -1.667 -6.748 339 HD21 LEU 43 1HD2 LEU 43 23.640 0.875 -7.647 340 HD22 LEU 43 2HD2 LEU 43 23.170 -0.458 -8.730 341 HD23 LEU 43 3HD2 LEU 43 22.657 1.207 -9.095 342 H SER 44 H SER 44 20.026 3.257 -9.480 343 HA SER 44 HA SER 44 21.099 2.774 -12.215 344 HB2 SER 44 1HB SER 44 20.024 5.255 -10.842 345 HB3 SER 44 2HB SER 44 20.803 5.285 -12.417 346 HG SER 44 HG SER 44 19.212 4.188 -13.274 347 H VAL 45 H VAL 45 23.218 2.597 -12.369 348 HA VAL 45 HA VAL 45 24.875 3.958 -10.292 349 HB VAL 45 HB VAL 45 25.002 1.484 -10.301 350 HG11 VAL 45 1HG1 VAL 45 25.975 0.294 -12.205 351 HG12 VAL 45 2HG1 VAL 45 24.438 1.086 -12.629 352 HG13 VAL 45 3HG1 VAL 45 25.983 1.806 -13.144 353 HG21 VAL 45 1HG2 VAL 45 27.463 1.298 -10.491 354 HG22 VAL 45 2HG2 VAL 45 27.509 2.843 -11.373 355 HG23 VAL 45 3HG2 VAL 45 26.992 2.805 -9.670 356 H LYS 46 H LYS 46 26.223 5.516 -10.864 357 HA LYS 46 HA LYS 46 26.578 6.096 -13.738 358 HB2 LYS 46 1HB LYS 46 26.089 8.067 -12.578 359 HB3 LYS 46 2HB LYS 46 27.041 7.608 -11.172 360 HG2 LYS 46 1HG LYS 46 28.348 9.265 -12.089 361 HG3 LYS 46 2HG LYS 46 29.079 7.825 -12.812 362 HD2 LYS 46 1HD LYS 46 28.193 8.254 -14.913 363 HD3 LYS 46 2HD LYS 46 26.819 9.165 -14.267 364 HE2 LYS 46 1HE LYS 46 28.378 10.675 -15.390 365 HE3 LYS 46 2HE LYS 46 28.337 11.023 -13.659 366 HZ1 LYS 46 1HZ LYS 46 30.569 10.989 -14.501 367 HZ2 LYS 46 2HZ LYS 46 30.365 9.762 -13.418 368 HZ3 LYS 46 3HZ LYS 46 30.403 9.438 -15.035 369 H PHE 47 H PHE 47 27.918 4.372 -14.348 370 HA PHE 47 HA PHE 47 30.710 4.598 -13.326 371 HB2 PHE 47 1HB PHE 47 29.542 2.327 -13.391 372 HB3 PHE 47 2HB PHE 47 29.572 2.444 -15.143 373 HD1 PHE 47 HD1 PHE 47 31.474 1.831 -16.361 374 HD2 PHE 47 HD2 PHE 47 31.762 2.414 -12.139 375 HE1 PHE 47 HE1 PHE 47 33.758 0.885 -16.387 376 HE2 PHE 47 HE2 PHE 47 34.046 1.471 -12.160 377 HZ PHE 47 HZ PHE 47 35.044 0.704 -14.286 378 H GLY 48 H GLY 48 32.363 5.240 -14.598 379 HA2 GLY 48 1HA GLY 48 33.320 6.515 -16.283 380 HA3 GLY 48 2HA GLY 48 32.274 5.676 -17.412 381 H ASN 49 H ASN 49 31.102 7.040 -18.590 382 HA ASN 49 HA ASN 49 30.085 9.521 -17.266 383 HB2 ASN 49 1HB ASN 49 30.898 9.001 -20.139 384 HB3 ASN 49 2HB ASN 49 29.968 10.410 -19.648 385 HD21 ASN 49 1HD2 ASN 49 33.833 10.729 -19.576 386 HD22 ASN 49 2HD2 ASN 49 32.852 9.747 -20.613 387 H ASP 50 H ASP 50 29.005 6.633 -17.709 388 HA ASP 50 HA ASP 50 26.358 7.508 -18.756 389 HB2 ASP 50 1HB ASP 50 27.899 5.034 -19.637 390 HB3 ASP 50 2HB ASP 50 26.199 5.313 -19.987 391 H VAL 51 H VAL 51 24.714 6.900 -17.538 392 HA VAL 51 HA VAL 51 25.231 5.218 -15.198 393 HB VAL 51 HB VAL 51 22.679 6.560 -16.190 394 HG11 VAL 51 1HG1 VAL 51 21.819 6.165 -13.934 395 HG12 VAL 51 2HG1 VAL 51 22.173 4.644 -14.787 396 HG13 VAL 51 3HG1 VAL 51 23.289 5.243 -13.536 397 HG21 VAL 51 1HG2 VAL 51 23.165 8.197 -14.399 398 HG22 VAL 51 2HG2 VAL 51 24.677 7.335 -14.025 399 HG23 VAL 51 3HG2 VAL 51 24.479 8.144 -15.598 400 H GLN 52 H GLN 52 24.818 3.125 -14.982 401 HA GLN 52 HA GLN 52 23.108 1.819 -17.050 402 HB2 GLN 52 1HB GLN 52 25.517 1.032 -16.740 403 HB3 GLN 52 2HB GLN 52 25.049 0.464 -15.143 404 HG2 GLN 52 1HG GLN 52 23.549 -1.143 -16.040 405 HG3 GLN 52 2HG GLN 52 23.668 -0.432 -17.675 406 HE21 GLN 52 1HE2 GLN 52 25.806 -3.542 -17.258 407 HE22 GLN 52 2HE2 GLN 52 24.162 -3.192 -16.836 408 H HIS 53 H HIS 53 21.509 0.348 -16.459 409 HA HIS 53 HA HIS 53 20.405 0.966 -13.747 410 HB2 HIS 53 1HB HIS 53 18.933 1.777 -15.446 411 HB3 HIS 53 2HB HIS 53 19.082 0.303 -16.392 412 HD2 HIS 53 HD2 HIS 53 16.528 1.801 -13.951 413 HE1 HIS 53 HE1 HIS 53 16.097 -2.421 -13.755 414 H PHE 54 H PHE 54 20.371 -0.561 -12.289 415 HA PHE 54 HA PHE 54 20.411 -3.397 -13.214 416 HB2 PHE 54 1HB PHE 54 21.040 -2.285 -10.451 417 HB3 PHE 54 2HB PHE 54 21.222 -3.954 -10.968 418 HD1 PHE 54 HD1 PHE 54 22.250 -2.869 -13.829 419 HD2 PHE 54 HD2 PHE 54 23.405 -2.330 -9.752 420 HE1 PHE 54 HE1 PHE 54 24.567 -2.397 -14.550 421 HE2 PHE 54 HE2 PHE 54 25.723 -1.855 -10.469 422 HZ PHE 54 HZ PHE 54 26.303 -1.890 -12.869 423 H LYS 55 H LYS 55 18.769 -4.744 -12.807 424 HA LYS 55 HA LYS 55 16.350 -3.811 -11.514 425 HB2 LYS 55 1HB LYS 55 15.644 -6.210 -11.717 426 HB3 LYS 55 2HB LYS 55 16.160 -5.491 -13.237 427 HG2 LYS 55 1HG LYS 55 18.496 -6.559 -12.585 428 HG3 LYS 55 2HG LYS 55 17.480 -7.611 -11.588 429 HD2 LYS 55 1HD LYS 55 16.876 -7.112 -14.515 430 HD3 LYS 55 2HD LYS 55 17.989 -8.384 -13.991 431 HE2 LYS 55 1HE LYS 55 16.180 -9.344 -12.571 432 HE3 LYS 55 2HE LYS 55 15.074 -8.107 -13.172 433 HZ1 LYS 55 1HZ LYS 55 14.845 -10.153 -14.375 434 HZ2 LYS 55 2HZ LYS 55 15.399 -8.973 -15.385 435 HZ3 LYS 55 3HZ LYS 55 16.432 -10.130 -14.824 436 H VAL 56 H VAL 56 15.911 -3.675 -9.441 437 HA VAL 56 HA VAL 56 17.273 -5.610 -7.612 438 HB VAL 56 HB VAL 56 16.213 -2.817 -7.002 439 HG11 VAL 56 1HG1 VAL 56 17.122 -3.166 -4.758 440 HG12 VAL 56 2HG1 VAL 56 15.825 -4.323 -5.138 441 HG13 VAL 56 3HG1 VAL 56 17.527 -4.846 -5.182 442 HG21 VAL 56 1HG2 VAL 56 18.594 -2.307 -6.561 443 HG22 VAL 56 2HG2 VAL 56 19.036 -3.961 -7.048 444 HG23 VAL 56 3HG2 VAL 56 18.349 -2.835 -8.243 445 H LEU 57 H LEU 57 15.953 -7.166 -6.909 446 HA LEU 57 HA LEU 57 13.039 -6.668 -7.324 447 HB2 LEU 57 1HB LEU 57 14.514 -9.317 -7.453 448 HB3 LEU 57 2HB LEU 57 12.836 -9.009 -7.907 449 HG LEU 57 HG LEU 57 15.297 -7.962 -9.350 450 HD11 LEU 57 1HD1 LEU 57 14.565 -9.488 -11.128 451 HD12 LEU 57 2HD1 LEU 57 14.941 -10.362 -9.625 452 HD13 LEU 57 3HD1 LEU 57 13.246 -10.071 -10.086 453 HD21 LEU 57 1HD2 LEU 57 13.658 -7.150 -11.012 454 HD22 LEU 57 2HD2 LEU 57 12.326 -7.700 -9.969 455 HD23 LEU 57 3HD2 LEU 57 13.394 -6.384 -9.427 456 H ARG 58 H ARG 58 11.550 -7.327 -5.844 457 HA ARG 58 HA ARG 58 12.552 -7.671 -3.122 458 HB2 ARG 58 1HB ARG 58 10.515 -6.292 -3.808 459 HB3 ARG 58 2HB ARG 58 9.673 -7.813 -4.061 460 HG2 ARG 58 1HG ARG 58 9.874 -8.395 -1.732 461 HG3 ARG 58 2HG ARG 58 10.920 -6.986 -1.429 462 HD2 ARG 58 1HD ARG 58 8.725 -6.483 -0.680 463 HD3 ARG 58 2HD ARG 58 9.049 -5.533 -2.150 464 HE ARG 58 HE ARG 58 7.791 -7.957 -2.886 465 HH11 ARG 58 1HH1 ARG 58 7.087 -4.951 -1.210 466 HH12 ARG 58 2HH1 ARG 58 5.388 -4.972 -1.623 467 HH21 ARG 58 1HH2 ARG 58 5.583 -7.973 -3.418 468 HH22 ARG 58 2HH2 ARG 58 4.536 -6.682 -2.873 469 H ASP 59 H ASP 59 12.691 -9.475 -1.955 470 HA ASP 59 HA ASP 59 11.812 -12.015 -3.199 471 HB2 ASP 59 1HB ASP 59 13.167 -13.115 -1.518 472 HB3 ASP 59 2HB ASP 59 14.118 -11.831 -2.251 473 H GLY 60 H GLY 60 11.316 -13.630 -1.104 474 HA2 GLY 60 1HA GLY 60 8.541 -12.845 -0.625 475 HA3 GLY 60 2HA GLY 60 9.274 -14.389 -0.236 476 H ALA 61 H ALA 61 11.367 -12.139 0.954 477 HA ALA 61 HA ALA 61 10.301 -12.488 3.683 478 HB1 ALA 61 1HB ALA 61 12.512 -11.638 4.399 479 HB2 ALA 61 2HB ALA 61 12.664 -13.015 3.282 480 HB3 ALA 61 3HB ALA 61 12.946 -11.359 2.698 481 H GLY 62 H GLY 62 9.969 -10.249 1.250 482 HA2 GLY 62 1HA GLY 62 9.175 -8.024 1.349 483 HA3 GLY 62 2HA GLY 62 9.441 -8.003 3.082 484 H LYS 63 H LYS 63 12.108 -9.296 1.418 485 HA LYS 63 HA LYS 63 13.543 -6.692 1.695 486 HB2 LYS 63 1HB LYS 63 14.433 -9.570 2.006 487 HB3 LYS 63 2HB LYS 63 15.601 -8.296 1.683 488 HG2 LYS 63 1HG LYS 63 14.836 -7.105 3.729 489 HG3 LYS 63 2HG LYS 63 13.730 -8.445 4.063 490 HD2 LYS 63 1HD LYS 63 16.647 -9.029 3.598 491 HD3 LYS 63 2HD LYS 63 16.131 -8.379 5.161 492 HE2 LYS 63 1HE LYS 63 14.377 -10.256 5.192 493 HE3 LYS 63 2HE LYS 63 15.261 -10.963 3.837 494 HZ1 LYS 63 1HZ LYS 63 15.980 -11.864 5.925 495 HZ2 LYS 63 2HZ LYS 63 17.218 -11.030 5.224 496 HZ3 LYS 63 3HZ LYS 63 16.392 -10.371 6.490 497 H TYR 64 H TYR 64 15.701 -6.860 0.268 498 HA TYR 64 HA TYR 64 14.655 -7.259 -2.502 499 HB2 TYR 64 1HB TYR 64 16.059 -4.824 -1.339 500 HB3 TYR 64 2HB TYR 64 15.866 -5.093 -3.066 501 HD1 TYR 64 HD1 TYR 64 14.084 -4.431 0.100 502 HD2 TYR 64 HD2 TYR 64 13.771 -4.756 -4.167 503 HE1 TYR 64 HE1 TYR 64 11.850 -3.377 0.183 504 HE2 TYR 64 HE2 TYR 64 11.536 -3.702 -4.083 505 HH TYR 64 HH TYR 64 9.841 -3.090 -2.714 506 H PHE 65 H PHE 65 16.060 -7.892 -4.060 507 HA PHE 65 HA PHE 65 18.949 -7.959 -3.357 508 HB2 PHE 65 1HB PHE 65 19.204 -10.219 -4.214 509 HB3 PHE 65 2HB PHE 65 18.011 -10.226 -2.924 510 HD1 PHE 65 HD1 PHE 65 18.608 -10.749 -6.474 511 HD2 PHE 65 HD2 PHE 65 15.616 -10.500 -3.435 512 HE1 PHE 65 HE1 PHE 65 16.987 -11.849 -7.982 513 HE2 PHE 65 HE2 PHE 65 13.993 -11.601 -4.939 514 HZ PHE 65 HZ PHE 65 14.680 -12.274 -7.215 515 H LEU 66 H LEU 66 20.277 -8.560 -5.357 516 HA LEU 66 HA LEU 66 19.065 -7.248 -7.746 517 HB2 LEU 66 1HB LEU 66 20.531 -5.718 -6.273 518 HB3 LEU 66 2HB LEU 66 21.893 -6.700 -6.817 519 HG LEU 66 HG LEU 66 20.043 -5.169 -8.678 520 HD11 LEU 66 1HD1 LEU 66 21.896 -3.570 -8.863 521 HD12 LEU 66 2HD1 LEU 66 21.259 -3.649 -7.204 522 HD13 LEU 66 3HD1 LEU 66 22.790 -4.460 -7.610 523 HD21 LEU 66 1HD2 LEU 66 21.839 -5.617 -10.315 524 HD22 LEU 66 2HD2 LEU 66 22.735 -6.537 -9.083 525 HD23 LEU 66 3HD2 LEU 66 21.166 -7.134 -9.673 526 H TRP 67 H TRP 67 22.179 -8.713 -6.720 527 HA TRP 67 HA TRP 67 22.441 -9.804 -9.455 528 HB2 TRP 67 1HB TRP 67 24.396 -9.652 -7.128 529 HB3 TRP 67 2HB TRP 67 24.776 -10.360 -8.691 530 HD1 TRP 67 HD1 TRP 67 24.949 -7.150 -6.878 531 HE1 TRP 67 HE1 TRP 67 25.485 -5.193 -8.482 532 HE3 TRP 67 HE3 TRP 67 24.087 -9.529 -11.338 533 HZ2 TRP 67 HZ2 TRP 67 25.532 -4.747 -11.269 534 HZ3 TRP 67 HZ3 TRP 67 24.393 -8.280 -13.438 535 HH2 TRP 67 HH2 TRP 67 25.108 -5.927 -13.411 536 H VAL 68 H VAL 68 23.915 -11.325 -6.665 537 HA VAL 68 HA VAL 68 22.053 -13.629 -6.897 538 HB VAL 68 HB VAL 68 25.091 -13.832 -7.067 539 HG11 VAL 68 1HG1 VAL 68 24.724 -16.240 -7.291 540 HG12 VAL 68 2HG1 VAL 68 24.159 -15.624 -5.720 541 HG13 VAL 68 3HG1 VAL 68 22.985 -16.001 -7.003 542 HG21 VAL 68 1HG2 VAL 68 24.636 -14.790 -9.303 543 HG22 VAL 68 2HG2 VAL 68 22.897 -14.498 -9.071 544 HG23 VAL 68 3HG2 VAL 68 24.022 -13.125 -9.179 545 H VAL 69 H VAL 69 25.148 -12.809 -5.255 546 HA VAL 69 HA VAL 69 24.375 -13.718 -2.679 547 HB VAL 69 HB VAL 69 26.703 -13.052 -3.405 548 HG11 VAL 69 1HG1 VAL 69 27.339 -10.694 -3.272 549 HG12 VAL 69 2HG1 VAL 69 26.148 -10.992 -4.561 550 HG13 VAL 69 3HG1 VAL 69 25.633 -10.249 -3.027 551 HG21 VAL 69 1HG2 VAL 69 27.319 -12.080 -1.215 552 HG22 VAL 69 2HG2 VAL 69 25.611 -11.685 -0.911 553 HG23 VAL 69 3HG2 VAL 69 26.125 -13.386 -1.026 554 H LYS 70 H LYS 70 23.236 -12.864 -1.034 555 HA LYS 70 HA LYS 70 22.460 -10.002 -1.190 556 HB2 LYS 70 1HB LYS 70 20.600 -11.484 -2.119 557 HB3 LYS 70 2HB LYS 70 20.454 -12.184 -0.513 558 HG2 LYS 70 1HG LYS 70 20.168 -9.689 0.258 559 HG3 LYS 70 2HG LYS 70 19.771 -9.413 -1.444 560 HD2 LYS 70 1HD LYS 70 17.667 -9.958 -0.771 561 HD3 LYS 70 2HD LYS 70 18.252 -11.616 -0.962 562 HE2 LYS 70 1HE LYS 70 18.962 -11.545 1.473 563 HE3 LYS 70 2HE LYS 70 18.121 -9.998 1.604 564 HZ1 LYS 70 1HZ LYS 70 16.737 -11.816 2.290 565 HZ2 LYS 70 2HZ LYS 70 16.098 -11.107 0.943 566 HZ3 LYS 70 3HZ LYS 70 16.884 -12.553 0.822 567 H PHE 71 H PHE 71 22.323 -8.958 0.722 568 HA PHE 71 HA PHE 71 23.035 -10.591 3.122 569 HB2 PHE 71 1HB PHE 71 23.653 -7.679 2.482 570 HB3 PHE 71 2HB PHE 71 24.005 -8.456 4.018 571 HD1 PHE 71 HD1 PHE 71 24.804 -8.474 0.403 572 HD2 PHE 71 HD2 PHE 71 25.915 -9.825 4.301 573 HE1 PHE 71 HE1 PHE 71 26.980 -9.241 -0.485 574 HE2 PHE 71 HE2 PHE 71 28.094 -10.589 3.418 575 HZ PHE 71 HZ PHE 71 28.625 -10.298 1.023 576 H ASN 72 H ASN 72 22.615 -8.625 5.047 577 HA ASN 72 HA ASN 72 19.889 -9.197 5.624 578 HB2 ASN 72 1HB ASN 72 21.862 -7.240 6.827 579 HB3 ASN 72 2HB ASN 72 20.230 -7.435 7.450 580 HD21 ASN 72 1HD2 ASN 72 22.580 -9.619 9.332 581 HD22 ASN 72 2HD2 ASN 72 22.506 -7.928 8.967 582 H SER 73 H SER 73 21.316 -6.690 3.751 583 HA SER 73 HA SER 73 18.634 -5.664 3.146 584 HB2 SER 73 1HB SER 73 19.219 -4.283 5.065 585 HB3 SER 73 2HB SER 73 20.782 -3.897 4.361 586 HG SER 73 HG SER 73 18.285 -2.945 3.798 587 H LEU 74 H LEU 74 18.485 -4.728 1.130 588 HA LEU 74 HA LEU 74 20.337 -4.918 -0.899 589 HB2 LEU 74 1HB LEU 74 18.132 -4.077 -1.340 590 HB3 LEU 74 2HB LEU 74 18.380 -2.684 -0.282 591 HG LEU 74 HG LEU 74 20.149 -1.882 -1.915 592 HD11 LEU 74 1HD1 LEU 74 20.086 -2.841 -4.174 593 HD12 LEU 74 2HD1 LEU 74 20.615 -4.036 -2.965 594 HD13 LEU 74 3HD1 LEU 74 18.957 -4.095 -3.610 595 HD21 LEU 74 1HD2 LEU 74 18.462 -1.044 -3.515 596 HD22 LEU 74 2HD2 LEU 74 17.308 -2.273 -2.943 597 HD23 LEU 74 3HD2 LEU 74 17.848 -0.979 -1.846 598 H ASN 75 H ASN 75 20.313 -2.573 1.742 599 HA ASN 75 HA ASN 75 22.218 -0.802 0.446 600 HB2 ASN 75 1HB ASN 75 21.097 -0.947 3.257 601 HB3 ASN 75 2HB ASN 75 22.280 0.258 2.764 602 HD21 ASN 75 1HD2 ASN 75 18.762 1.528 2.420 603 HD22 ASN 75 2HD2 ASN 75 19.619 0.731 3.697 604 H GLU 76 H GLU 76 22.585 -3.793 1.790 605 HA GLU 76 HA GLU 76 25.311 -3.178 2.825 606 HB2 GLU 76 1HB GLU 76 23.500 -5.596 3.171 607 HB3 GLU 76 2HB GLU 76 25.180 -5.573 3.686 608 HG2 GLU 76 1HG GLU 76 24.645 -3.611 5.146 609 HG3 GLU 76 2HG GLU 76 22.950 -3.805 4.705 610 H LEU 77 H LEU 77 23.526 -5.123 0.467 611 HA LEU 77 HA LEU 77 25.853 -6.578 -0.444 612 HB2 LEU 77 1HB LEU 77 24.434 -7.523 -2.064 613 HB3 LEU 77 2HB LEU 77 23.386 -7.245 -0.669 614 HG LEU 77 HG LEU 77 22.825 -4.986 -1.936 615 HD11 LEU 77 1HD1 LEU 77 22.877 -5.281 -4.371 616 HD12 LEU 77 2HD1 LEU 77 24.514 -5.279 -3.675 617 HD13 LEU 77 3HD1 LEU 77 23.758 -6.814 -4.167 618 HD21 LEU 77 1HD2 LEU 77 20.955 -6.177 -3.027 619 HD22 LEU 77 2HD2 LEU 77 21.809 -7.723 -2.804 620 HD23 LEU 77 3HD2 LEU 77 21.244 -6.806 -1.387 621 H VAL 78 H VAL 78 24.340 -3.523 -1.284 622 HA VAL 78 HA VAL 78 25.913 -3.054 -3.657 623 HB VAL 78 HB VAL 78 25.251 -0.698 -3.362 624 HG11 VAL 78 1HG1 VAL 78 22.823 -0.993 -3.417 625 HG12 VAL 78 2HG1 VAL 78 23.667 -2.231 -4.378 626 HG13 VAL 78 3HG1 VAL 78 23.009 -2.642 -2.776 627 HG21 VAL 78 1HG2 VAL 78 23.900 -0.037 -1.397 628 HG22 VAL 78 2HG2 VAL 78 24.128 -1.657 -0.697 629 HG23 VAL 78 3HG2 VAL 78 25.524 -0.574 -0.909 630 H ASP 79 H ASP 79 26.476 -2.712 -0.209 631 HA ASP 79 HA ASP 79 28.980 -1.274 -0.506 632 HB2 ASP 79 1HB ASP 79 27.603 -1.357 1.612 633 HB3 ASP 79 2HB ASP 79 28.067 -3.042 1.797 634 H TYR 80 H TYR 80 28.092 -4.708 -0.033 635 HA TYR 80 HA TYR 80 30.646 -5.850 -0.309 636 HB2 TYR 80 1HB TYR 80 28.648 -7.183 0.190 637 HB3 TYR 80 2HB TYR 80 27.972 -6.824 -1.392 638 HD1 TYR 80 HD1 TYR 80 30.840 -8.493 0.302 639 HD2 TYR 80 HD2 TYR 80 28.458 -8.160 -3.251 640 HE1 TYR 80 HE1 TYR 80 31.947 -10.497 -0.628 641 HE2 TYR 80 HE2 TYR 80 29.564 -10.166 -4.181 642 HH TYR 80 HH TYR 80 32.092 -11.882 -2.359 643 H HIS 81 H HIS 81 28.368 -4.862 -2.876 644 HA HIS 81 HA HIS 81 30.471 -5.297 -4.917 645 HB2 HIS 81 1HB HIS 81 27.559 -4.457 -5.076 646 HB3 HIS 81 2HB HIS 81 28.630 -4.452 -6.470 647 HD2 HIS 81 HD2 HIS 81 26.278 -6.964 -4.666 648 HE1 HIS 81 HE1 HIS 81 28.973 -9.196 -7.077 649 H ARG 82 H ARG 82 30.299 -3.060 -2.700 650 HA ARG 82 HA ARG 82 31.044 -0.858 -4.533 651 HB2 ARG 82 1HB ARG 82 29.850 -0.281 -2.465 652 HB3 ARG 82 2HB ARG 82 31.099 -1.055 -1.502 653 HG2 ARG 82 1HG ARG 82 32.729 0.606 -2.185 654 HG3 ARG 82 2HG ARG 82 31.546 1.351 -3.286 655 HD2 ARG 82 1HD ARG 82 31.675 2.624 -1.273 656 HD3 ARG 82 2HD ARG 82 30.099 1.803 -1.347 657 HE ARG 82 HE ARG 82 30.675 0.532 0.488 658 HH11 ARG 82 1HH1 ARG 82 33.494 2.268 -0.685 659 HH12 ARG 82 2HH1 ARG 82 34.466 1.893 0.722 660 HH21 ARG 82 1HH2 ARG 82 31.945 0.052 2.308 661 HH22 ARG 82 2HH2 ARG 82 33.589 0.639 2.417 662 H SER 83 H SER 83 32.532 -2.945 -2.037 663 HA SER 83 HA SER 83 35.211 -1.991 -2.647 664 HB2 SER 83 1HB SER 83 35.949 -3.626 -1.046 665 HB3 SER 83 2HB SER 83 34.504 -2.853 -0.411 666 HG SER 83 HG SER 83 33.830 -4.929 -1.929 667 H THR 84 H THR 84 33.098 -4.442 -3.885 668 HA THR 84 HA THR 84 35.310 -5.289 -5.701 669 HB THR 84 HB THR 84 33.163 -7.103 -4.516 670 HG1 THR 84 HG1 THR 84 35.729 -6.465 -3.793 671 HG21 THR 84 1HG2 THR 84 34.322 -8.891 -5.754 672 HG22 THR 84 2HG2 THR 84 33.687 -7.656 -6.866 673 HG23 THR 84 3HG2 THR 84 35.421 -7.690 -6.469 674 H SER 85 H SER 85 34.811 -5.591 -7.826 675 HA SER 85 HA SER 85 32.696 -4.006 -8.867 676 HB2 SER 85 1HB SER 85 33.370 -4.803 -11.019 677 HB3 SER 85 2HB SER 85 34.824 -4.635 -10.047 678 HG SER 85 HG SER 85 34.043 -6.713 -11.311 679 H VAL 86 H VAL 86 30.947 -4.704 -10.297 680 HA VAL 86 HA VAL 86 29.434 -6.912 -9.101 681 HB VAL 86 HB VAL 86 27.632 -6.196 -10.623 682 HG11 VAL 86 1HG1 VAL 86 27.311 -3.927 -9.765 683 HG12 VAL 86 2HG1 VAL 86 27.888 -5.041 -8.503 684 HG13 VAL 86 3HG1 VAL 86 29.015 -3.882 -9.249 685 HG21 VAL 86 1HG2 VAL 86 27.990 -4.264 -12.128 686 HG22 VAL 86 2HG2 VAL 86 29.713 -4.238 -11.683 687 HG23 VAL 86 3HG2 VAL 86 29.042 -5.628 -12.571 688 H SER 87 H SER 87 31.693 -6.557 -11.607 689 HA SER 87 HA SER 87 31.111 -9.219 -12.669 690 HB2 SER 87 1HB SER 87 29.519 -7.956 -13.977 691 HB3 SER 87 2HB SER 87 30.721 -6.734 -14.361 692 HG SER 87 HG SER 87 30.374 -9.285 -15.338 693 H ARG 88 H ARG 88 32.764 -10.051 -14.000 694 HA ARG 88 HA ARG 88 35.386 -8.898 -13.543 695 HB2 ARG 88 1HB ARG 88 34.439 -11.212 -15.262 696 HB3 ARG 88 2HB ARG 88 36.128 -10.755 -15.095 697 HG2 ARG 88 1HG ARG 88 36.036 -11.210 -12.689 698 HG3 ARG 88 2HG ARG 88 34.316 -11.643 -12.836 699 HD2 ARG 88 1HD ARG 88 34.898 -13.444 -14.354 700 HD3 ARG 88 2HD ARG 88 36.617 -13.011 -14.209 701 HE ARG 88 HE ARG 88 35.658 -13.410 -11.615 702 HH11 ARG 88 1HH1 ARG 88 36.088 -15.283 -14.557 703 HH12 ARG 88 2HH1 ARG 88 36.331 -16.793 -13.709 704 HH21 ARG 88 1HH2 ARG 88 35.976 -15.377 -10.526 705 HH22 ARG 88 2HH2 ARG 88 36.268 -16.848 -11.428 706 H ASN 89 H ASN 89 32.955 -8.585 -15.980 707 HA ASN 89 HA ASN 89 34.960 -7.381 -17.842 708 HB2 ASN 89 1HB ASN 89 32.279 -8.674 -18.440 709 HB3 ASN 89 2HB ASN 89 33.280 -7.850 -19.629 710 HD21 ASN 89 1HD2 ASN 89 33.970 -11.677 -18.668 711 HD22 ASN 89 2HD2 ASN 89 32.605 -10.771 -18.104 712 H GLN 90 H GLN 90 31.690 -7.036 -16.486 713 HA GLN 90 HA GLN 90 31.671 -4.207 -17.377 714 HB2 GLN 90 1HB GLN 90 29.508 -5.748 -15.893 715 HB3 GLN 90 2HB GLN 90 29.342 -4.178 -16.667 716 HG2 GLN 90 1HG GLN 90 29.757 -5.226 -18.863 717 HG3 GLN 90 2HG GLN 90 29.853 -6.816 -18.055 718 HE21 GLN 90 1HE2 GLN 90 26.466 -7.167 -18.861 719 HE22 GLN 90 2HE2 GLN 90 28.094 -7.678 -19.162 720 H GLN 91 H GLN 91 33.468 -3.619 -15.933 721 HA GLN 91 HA GLN 91 33.296 -4.558 -13.182 722 HB2 GLN 91 1HB GLN 91 35.334 -2.769 -14.565 723 HB3 GLN 91 2HB GLN 91 35.502 -3.407 -12.936 724 HG2 GLN 91 1HG GLN 91 35.521 -5.690 -13.802 725 HG3 GLN 91 2HG GLN 91 35.308 -5.063 -15.461 726 HE21 GLN 91 1HE2 GLN 91 38.872 -5.713 -15.239 727 HE22 GLN 91 2HE2 GLN 91 37.375 -6.572 -15.394 728 H ILE 92 H ILE 92 31.177 -3.305 -12.965 729 HA ILE 92 HA ILE 92 31.627 -0.435 -12.385 730 HB ILE 92 HB ILE 92 29.076 -2.101 -12.476 731 HG12 ILE 92 1HG1 ILE 92 30.194 -0.017 -14.366 732 HG13 ILE 92 2HG1 ILE 92 30.095 -1.745 -14.664 733 HG21 ILE 92 1HG2 ILE 92 27.904 0.054 -12.268 734 HG22 ILE 92 2HG2 ILE 92 28.901 -0.274 -10.831 735 HG23 ILE 92 3HG2 ILE 92 29.464 0.885 -12.058 736 HD11 ILE 92 1HD1 ILE 92 28.305 -0.553 -15.800 737 HD12 ILE 92 2HD1 ILE 92 27.642 -1.636 -14.551 738 HD13 ILE 92 3HD1 ILE 92 27.743 0.115 -14.251 739 H PHE 93 H PHE 93 31.530 0.474 -10.409 740 HA PHE 93 HA PHE 93 31.031 -1.375 -8.113 741 HB2 PHE 93 1HB PHE 93 32.624 1.215 -8.060 742 HB3 PHE 93 2HB PHE 93 32.492 0.023 -6.777 743 HD1 PHE 93 HD1 PHE 93 33.897 0.689 -10.126 744 HD2 PHE 93 HD2 PHE 93 33.842 -1.941 -6.759 745 HE1 PHE 93 HE1 PHE 93 35.905 -0.463 -10.994 746 HE2 PHE 93 HE2 PHE 93 35.851 -3.093 -7.623 747 HZ PHE 93 HZ PHE 93 36.881 -2.353 -9.743 748 H LEU 94 H LEU 94 29.792 -0.674 -6.378 749 HA LEU 94 HA LEU 94 28.025 1.641 -7.007 750 HB2 LEU 94 1HB LEU 94 27.618 -0.649 -5.049 751 HB3 LEU 94 2HB LEU 94 26.457 0.637 -5.394 752 HG LEU 94 HG LEU 94 27.322 -1.634 -7.202 753 HD11 LEU 94 1HD1 LEU 94 24.910 -2.091 -7.208 754 HD12 LEU 94 2HD1 LEU 94 25.580 -2.110 -5.560 755 HD13 LEU 94 3HD1 LEU 94 24.644 -0.705 -6.124 756 HD21 LEU 94 1HD2 LEU 94 25.916 -0.579 -8.940 757 HD22 LEU 94 2HD2 LEU 94 25.662 0.830 -7.882 758 HD23 LEU 94 3HD2 LEU 94 27.289 0.467 -8.508 759 H ARG 95 H ARG 95 29.207 3.358 -6.244 760 HA ARG 95 HA ARG 95 30.321 3.113 -3.492 761 HB2 ARG 95 1HB ARG 95 30.987 5.021 -5.758 762 HB3 ARG 95 2HB ARG 95 31.690 5.109 -4.150 763 HG2 ARG 95 1HG ARG 95 32.768 2.969 -4.433 764 HG3 ARG 95 2HG ARG 95 31.939 2.715 -5.988 765 HD2 ARG 95 1HD ARG 95 33.061 4.714 -6.866 766 HD3 ARG 95 2HD ARG 95 33.948 4.856 -5.330 767 HE ARG 95 HE ARG 95 34.739 2.472 -5.901 768 HH11 ARG 95 1HH1 ARG 95 34.040 4.968 -8.271 769 HH12 ARG 95 2HH1 ARG 95 35.172 4.343 -9.450 770 HH21 ARG 95 1HH2 ARG 95 36.205 1.669 -7.438 771 HH22 ARG 95 2HH2 ARG 95 36.399 2.474 -8.979 772 H ASP 96 H ASP 96 30.289 5.052 -2.123 773 HA ASP 96 HA ASP 96 29.482 7.106 -1.389 774 HB2 ASP 96 1HB ASP 96 29.245 7.619 -3.922 775 HB3 ASP 96 2HB ASP 96 27.551 7.186 -3.726 Start of MODEL 6 1 H1 MET 1 1H MET 1 -1.594 -2.047 -5.816 2 H2 MET 1 2H MET 1 -1.740 -0.575 -6.506 3 H3 MET 1 3H MET 1 -0.462 -1.523 -6.869 4 HA MET 1 HA MET 1 -1.047 -0.331 -4.279 5 HB2 MET 1 1HB MET 1 0.031 -2.560 -4.113 6 HB3 MET 1 2HB MET 1 1.312 -2.027 -5.192 7 HG2 MET 1 1HG MET 1 2.035 -0.358 -3.548 8 HG3 MET 1 2HG MET 1 0.716 -0.826 -2.472 9 HE1 MET 1 1HE MET 1 4.454 -3.352 -3.450 10 HE2 MET 1 2HE MET 1 3.285 -2.886 -4.710 11 HE3 MET 1 3HE MET 1 4.230 -1.636 -3.864 12 H LYS 2 H LYS 2 -0.481 1.698 -4.096 13 HA LYS 2 HA LYS 2 1.044 3.003 -6.217 14 HB2 LYS 2 1HB LYS 2 -0.082 4.019 -3.579 15 HB3 LYS 2 2HB LYS 2 0.758 5.037 -4.741 16 HG2 LYS 2 1HG LYS 2 -0.970 4.509 -6.438 17 HG3 LYS 2 2HG LYS 2 -1.824 3.528 -5.238 18 HD2 LYS 2 1HD LYS 2 -2.072 5.517 -3.786 19 HD3 LYS 2 2HD LYS 2 -1.218 6.498 -4.987 20 HE2 LYS 2 1HE LYS 2 -2.980 6.013 -6.646 21 HE3 LYS 2 2HE LYS 2 -3.829 5.014 -5.464 22 HZ1 LYS 2 1HZ LYS 2 -4.747 7.212 -5.580 23 HZ2 LYS 2 2HZ LYS 2 -4.088 6.963 -4.089 24 HZ3 LYS 2 3HZ LYS 2 -3.296 7.896 -5.193 25 HA PRO 3 HA PRO 3 4.975 2.653 -4.366 26 HB2 PRO 3 1HB PRO 3 6.301 4.688 -5.627 27 HB3 PRO 3 2HB PRO 3 5.801 3.226 -6.488 28 HG2 PRO 3 1HG PRO 3 4.403 5.932 -6.346 29 HG3 PRO 3 2HG PRO 3 4.752 4.956 -7.775 30 HD2 PRO 3 1HD PRO 3 2.306 4.890 -6.565 31 HD3 PRO 3 2HD PRO 3 3.023 3.419 -7.339 32 H HIS 4 H HIS 4 6.643 4.096 -3.212 33 HA HIS 4 HA HIS 4 5.309 5.702 -1.192 34 HB2 HIS 4 1HB HIS 4 8.231 5.148 -1.798 35 HB3 HIS 4 2HB HIS 4 7.707 6.185 -0.479 36 HD2 HIS 4 HD2 HIS 4 7.815 2.384 -1.395 37 HE1 HIS 4 HE1 HIS 4 6.474 2.778 2.632 38 HA PRO 5 HA PRO 5 5.703 9.614 -3.191 39 HB2 PRO 5 1HB PRO 5 5.020 11.210 -1.091 40 HB3 PRO 5 2HB PRO 5 3.816 10.214 -1.920 41 HG2 PRO 5 1HG PRO 5 5.318 9.638 0.668 42 HG3 PRO 5 2HG PRO 5 3.588 9.482 0.349 43 HD2 PRO 5 1HD PRO 5 5.297 7.338 0.213 44 HD3 PRO 5 2HD PRO 5 3.832 7.474 -0.842 45 H TRP 6 H TRP 6 7.544 8.274 -0.651 46 HA TRP 6 HA TRP 6 9.156 10.525 0.092 47 HB2 TRP 6 1HB TRP 6 9.761 7.542 0.184 48 HB3 TRP 6 2HB TRP 6 10.739 8.784 0.953 49 HD1 TRP 6 HD1 TRP 6 7.954 6.487 1.679 50 HE1 TRP 6 HE1 TRP 6 6.773 7.106 3.895 51 HE3 TRP 6 HE3 TRP 6 9.947 11.164 2.354 52 HZ2 TRP 6 HZ2 TRP 6 6.717 9.295 5.676 53 HZ3 TRP 6 HZ3 TRP 6 9.287 12.470 4.335 54 HH2 TRP 6 HH2 TRP 6 7.699 11.554 5.975 55 H PHE 7 H PHE 7 11.139 11.231 -0.588 56 HA PHE 7 HA PHE 7 12.063 10.135 -3.205 57 HB2 PHE 7 1HB PHE 7 12.249 12.858 -1.915 58 HB3 PHE 7 2HB PHE 7 13.442 12.384 -3.114 59 HD1 PHE 7 HD1 PHE 7 9.976 13.333 -2.528 60 HD2 PHE 7 HD2 PHE 7 12.777 11.946 -5.440 61 HE1 PHE 7 HE1 PHE 7 8.418 13.983 -4.333 62 HE2 PHE 7 HE2 PHE 7 11.222 12.596 -7.248 63 HZ PHE 7 HZ PHE 7 9.040 13.613 -6.694 64 H PHE 8 H PHE 8 15.209 9.112 -2.164 65 HA PHE 8 HA PHE 8 13.584 10.381 -4.283 66 HB2 PHE 8 1HB PHE 8 16.046 8.595 -4.425 67 HB3 PHE 8 2HB PHE 8 15.244 9.304 -5.818 68 HD1 PHE 8 HD1 PHE 8 14.613 12.015 -4.600 69 HD2 PHE 8 HD2 PHE 8 18.151 9.622 -4.589 70 HE1 PHE 8 HE1 PHE 8 15.989 14.054 -4.355 71 HE2 PHE 8 HE2 PHE 8 19.531 11.659 -4.342 72 HZ PHE 8 HZ PHE 8 18.449 13.876 -4.227 73 H GLY 9 H GLY 9 12.624 8.195 -2.407 74 HA2 GLY 9 1HA GLY 9 12.414 5.667 -3.407 75 HA3 GLY 9 2HA GLY 9 11.044 6.493 -2.689 76 H LYS 10 H LYS 10 10.186 8.315 -4.379 77 HA LYS 10 HA LYS 10 9.744 6.845 -6.943 78 HB2 LYS 10 1HB LYS 10 7.643 7.029 -5.865 79 HB3 LYS 10 2HB LYS 10 7.964 8.664 -5.304 80 HG2 LYS 10 1HG LYS 10 6.330 8.736 -7.070 81 HG3 LYS 10 2HG LYS 10 7.830 9.471 -7.654 82 HD2 LYS 10 1HD LYS 10 8.399 7.513 -8.924 83 HD3 LYS 10 2HD LYS 10 7.117 6.565 -8.158 84 HE2 LYS 10 1HE LYS 10 5.401 7.878 -9.245 85 HE3 LYS 10 2HE LYS 10 6.594 9.026 -9.858 86 HZ1 LYS 10 1HZ LYS 10 5.925 7.467 -11.536 87 HZ2 LYS 10 2HZ LYS 10 7.525 7.258 -11.188 88 HZ3 LYS 10 3HZ LYS 10 6.409 6.187 -10.617 89 H ILE 11 H ILE 11 12.069 8.406 -6.623 90 HA ILE 11 HA ILE 11 11.699 10.759 -8.283 91 HB ILE 11 HB ILE 11 13.751 10.201 -6.823 92 HG12 ILE 11 1HG1 ILE 11 14.191 11.032 -9.700 93 HG13 ILE 11 2HG1 ILE 11 13.622 12.082 -8.412 94 HG21 ILE 11 1HG2 ILE 11 15.518 8.905 -7.947 95 HG22 ILE 11 2HG2 ILE 11 14.082 7.899 -7.644 96 HG23 ILE 11 3HG2 ILE 11 14.399 8.527 -9.278 97 HD11 ILE 11 1HD1 ILE 11 15.997 12.403 -8.819 98 HD12 ILE 11 2HD1 ILE 11 15.725 11.743 -7.189 99 HD13 ILE 11 3HD1 ILE 11 16.303 10.681 -8.494 100 HA PRO 12 HA PRO 12 11.331 8.701 -12.196 101 HB2 PRO 12 1HB PRO 12 11.867 10.825 -13.816 102 HB3 PRO 12 2HB PRO 12 10.339 10.703 -12.935 103 HG2 PRO 12 1HG PRO 12 12.867 12.233 -12.160 104 HG3 PRO 12 2HG PRO 12 11.211 12.840 -12.237 105 HD2 PRO 12 1HD PRO 12 12.280 12.025 -9.882 106 HD3 PRO 12 2HD PRO 12 10.541 11.710 -10.272 107 H ARG 13 H ARG 13 12.795 7.797 -13.653 108 HA ARG 13 HA ARG 13 15.562 7.717 -13.130 109 HB2 ARG 13 1HB ARG 13 14.142 6.200 -14.650 110 HB3 ARG 13 2HB ARG 13 14.366 7.419 -15.896 111 HG2 ARG 13 1HG ARG 13 16.881 6.598 -14.628 112 HG3 ARG 13 2HG ARG 13 16.008 5.274 -15.436 113 HD2 ARG 13 1HD ARG 13 16.832 7.908 -16.631 114 HD3 ARG 13 2HD ARG 13 17.511 6.302 -16.977 115 HE ARG 13 HE ARG 13 14.753 6.188 -17.490 116 HH11 ARG 13 1HH1 ARG 13 17.608 7.818 -18.728 117 HH12 ARG 13 2HH1 ARG 13 16.985 7.941 -20.357 118 HH21 ARG 13 1HH2 ARG 13 13.956 6.354 -19.609 119 HH22 ARG 13 2HH2 ARG 13 14.918 7.113 -20.858 120 H ALA 14 H ALA 14 13.682 9.898 -15.204 121 HA ALA 14 HA ALA 14 15.617 11.333 -16.524 122 HB1 ALA 14 1HB ALA 14 14.193 13.334 -16.227 123 HB2 ALA 14 2HB ALA 14 13.228 11.889 -16.614 124 HB3 ALA 14 3HB ALA 14 13.293 12.493 -14.942 125 H LYS 15 H LYS 15 14.601 12.064 -13.156 126 HA LYS 15 HA LYS 15 16.551 14.193 -12.992 127 HB2 LYS 15 1HB LYS 15 14.271 13.943 -11.751 128 HB3 LYS 15 2HB LYS 15 15.159 12.937 -10.615 129 HG2 LYS 15 1HG LYS 15 15.153 15.081 -9.662 130 HG3 LYS 15 2HG LYS 15 16.774 14.904 -10.348 131 HD2 LYS 15 1HD LYS 15 15.983 16.125 -12.395 132 HD3 LYS 15 2HD LYS 15 14.432 16.396 -11.586 133 HE2 LYS 15 1HE LYS 15 15.456 17.730 -9.875 134 HE3 LYS 15 2HE LYS 15 17.079 17.255 -10.379 135 HZ1 LYS 15 1HZ LYS 15 16.518 19.440 -11.153 136 HZ2 LYS 15 2HZ LYS 15 16.719 18.429 -12.441 137 HZ3 LYS 15 3HZ LYS 15 15.201 18.873 -11.969 138 H ALA 16 H ALA 16 16.410 10.848 -11.855 139 HA ALA 16 HA ALA 16 18.574 11.006 -10.023 140 HB1 ALA 16 1HB ALA 16 18.675 8.544 -10.245 141 HB2 ALA 16 2HB ALA 16 17.001 9.122 -10.064 142 HB3 ALA 16 3HB ALA 16 17.608 8.637 -11.665 143 H GLU 17 H GLU 17 18.503 10.194 -13.489 144 HA GLU 17 HA GLU 17 21.341 9.690 -13.646 145 HB2 GLU 17 1HB GLU 17 19.269 10.347 -15.777 146 HB3 GLU 17 2HB GLU 17 20.938 9.929 -16.136 147 HG2 GLU 17 1HG GLU 17 20.534 7.756 -14.878 148 HG3 GLU 17 2HG GLU 17 18.825 8.183 -14.872 149 H GLU 18 H GLU 18 19.282 12.524 -14.236 150 HA GLU 18 HA GLU 18 21.275 14.273 -15.225 151 HB2 GLU 18 1HB GLU 18 18.839 14.787 -15.170 152 HB3 GLU 18 2HB GLU 18 18.911 14.933 -13.421 153 HG2 GLU 18 1HG GLU 18 20.502 16.818 -13.664 154 HG3 GLU 18 2HG GLU 18 20.359 16.687 -15.415 155 H MET 19 H MET 19 20.285 13.598 -11.860 156 HA MET 19 HA MET 19 22.187 15.361 -10.655 157 HB2 MET 19 1HB MET 19 20.635 12.950 -9.697 158 HB3 MET 19 2HB MET 19 21.848 13.693 -8.664 159 HG2 MET 19 1HG MET 19 20.621 15.877 -8.915 160 HG3 MET 19 2HG MET 19 19.354 15.002 -9.777 161 HE1 MET 19 1HE MET 19 17.547 12.958 -7.145 162 HE2 MET 19 2HE MET 19 17.432 13.832 -8.692 163 HE3 MET 19 3HE MET 19 18.574 12.479 -8.517 164 H LEU 20 H LEU 20 22.365 11.969 -11.658 165 HA LEU 20 HA LEU 20 24.928 11.452 -10.477 166 HB2 LEU 20 1HB LEU 20 23.409 10.173 -12.768 167 HB3 LEU 20 2HB LEU 20 24.983 9.585 -12.225 168 HG LEU 20 HG LEU 20 22.477 9.713 -10.511 169 HD11 LEU 20 1HD1 LEU 20 22.488 7.270 -10.745 170 HD12 LEU 20 2HD1 LEU 20 22.292 8.081 -12.316 171 HD13 LEU 20 3HD1 LEU 20 23.866 7.384 -11.865 172 HD21 LEU 20 1HD2 LEU 20 23.832 8.375 -8.936 173 HD22 LEU 20 2HD2 LEU 20 25.231 8.503 -10.031 174 HD23 LEU 20 3HD2 LEU 20 24.583 9.961 -9.240 175 H SER 21 H SER 21 23.905 12.963 -13.468 176 HA SER 21 HA SER 21 26.553 12.711 -14.699 177 HB2 SER 21 1HB SER 21 25.560 13.936 -16.560 178 HB3 SER 21 2HB SER 21 24.508 12.619 -16.066 179 HG SER 21 HG SER 21 23.689 14.480 -14.610 180 H LYS 22 H LYS 22 24.702 15.136 -12.922 181 HA LYS 22 HA LYS 22 26.718 17.188 -13.101 182 HB2 LYS 22 1HB LYS 22 24.618 16.553 -10.996 183 HB3 LYS 22 2HB LYS 22 25.688 17.943 -10.894 184 HG2 LYS 22 1HG LYS 22 24.782 18.822 -13.001 185 HG3 LYS 22 2HG LYS 22 23.731 17.407 -13.147 186 HD2 LYS 22 1HD LYS 22 22.629 18.009 -11.010 187 HD3 LYS 22 2HD LYS 22 23.675 19.430 -10.877 188 HE2 LYS 22 1HE LYS 22 22.746 20.331 -12.971 189 HE3 LYS 22 2HE LYS 22 21.733 18.897 -13.156 190 HZ1 LYS 22 1HZ LYS 22 20.521 20.716 -12.203 191 HZ2 LYS 22 2HZ LYS 22 20.627 19.486 -11.109 192 HZ3 LYS 22 3HZ LYS 22 21.573 20.826 -10.938 193 H GLN 23 H GLN 23 26.184 14.483 -10.819 194 HA GLN 23 HA GLN 23 28.769 14.774 -9.569 195 HB2 GLN 23 1HB GLN 23 27.032 13.440 -8.499 196 HB3 GLN 23 2HB GLN 23 26.927 12.374 -9.892 197 HG2 GLN 23 1HG GLN 23 28.140 11.284 -8.134 198 HG3 GLN 23 2HG GLN 23 29.261 11.644 -9.477 199 HE21 GLN 23 1HE2 GLN 23 29.753 13.305 -5.771 200 HE22 GLN 23 2HE2 GLN 23 28.341 12.385 -6.171 201 H ARG 24 H ARG 24 30.702 13.769 -9.970 202 HA ARG 24 HA ARG 24 30.940 12.551 -12.690 203 HB2 ARG 24 1HB ARG 24 33.137 13.994 -11.181 204 HB3 ARG 24 2HB ARG 24 33.155 13.469 -12.858 205 HG2 ARG 24 1HG ARG 24 31.442 15.672 -11.683 206 HG3 ARG 24 2HG ARG 24 32.859 15.858 -12.746 207 HD2 ARG 24 1HD ARG 24 30.291 14.464 -13.470 208 HD3 ARG 24 2HD ARG 24 30.750 16.118 -13.938 209 HE ARG 24 HE ARG 24 32.838 14.503 -14.779 210 HH11 ARG 24 1HH1 ARG 24 29.382 14.710 -15.377 211 HH12 ARG 24 2HH1 ARG 24 29.499 14.083 -17.005 212 HH21 ARG 24 1HH2 ARG 24 32.977 13.690 -16.895 213 HH22 ARG 24 2HH2 ARG 24 31.533 13.506 -17.865 214 H HIS 25 H HIS 25 31.282 12.083 -9.332 215 HA HIS 25 HA HIS 25 33.355 10.125 -9.241 216 HB2 HIS 25 1HB HIS 25 32.476 11.060 -7.192 217 HB3 HIS 25 2HB HIS 25 30.855 10.484 -7.557 218 HD2 HIS 25 HD2 HIS 25 30.637 8.631 -5.360 219 HE1 HIS 25 HE1 HIS 25 34.063 6.382 -6.478 220 H ASP 26 H ASP 26 33.097 8.944 -11.218 221 HA ASP 26 HA ASP 26 31.044 7.131 -11.788 222 HB2 ASP 26 1HB ASP 26 34.045 7.017 -12.090 223 HB3 ASP 26 2HB ASP 26 33.085 5.590 -12.460 224 H GLY 27 H GLY 27 30.449 5.108 -11.121 225 HA2 GLY 27 1HA GLY 27 30.669 3.194 -9.621 226 HA3 GLY 27 2HA GLY 27 31.626 4.183 -8.534 227 H ALA 28 H ALA 28 29.913 6.535 -8.705 228 HA ALA 28 HA ALA 28 28.152 5.927 -6.550 229 HB1 ALA 28 1HB ALA 28 27.297 8.225 -6.880 230 HB2 ALA 28 2HB ALA 28 29.075 8.172 -6.913 231 HB3 ALA 28 3HB ALA 28 28.161 8.314 -8.432 232 H PHE 29 H PHE 29 25.840 6.121 -6.447 233 HA PHE 29 HA PHE 29 24.419 5.422 -8.942 234 HB2 PHE 29 1HB PHE 29 23.508 3.338 -7.964 235 HB3 PHE 29 2HB PHE 29 25.248 3.253 -8.185 236 HD1 PHE 29 HD1 PHE 29 22.542 3.573 -5.709 237 HD2 PHE 29 HD2 PHE 29 26.741 3.074 -6.318 238 HE1 PHE 29 HE1 PHE 29 22.812 2.957 -3.331 239 HE2 PHE 29 HE2 PHE 29 27.015 2.455 -3.940 240 HZ PHE 29 HZ PHE 29 25.048 2.398 -2.447 241 H LEU 30 H LEU 30 22.095 5.342 -8.691 242 HA LEU 30 HA LEU 30 21.125 6.528 -6.127 243 HB2 LEU 30 1HB LEU 30 21.136 8.063 -8.216 244 HB3 LEU 30 2HB LEU 30 19.818 7.045 -8.806 245 HG LEU 30 HG LEU 30 19.525 8.209 -6.066 246 HD11 LEU 30 1HD1 LEU 30 18.732 10.336 -7.002 247 HD12 LEU 30 2HD1 LEU 30 20.459 10.073 -7.338 248 HD13 LEU 30 3HD1 LEU 30 19.253 9.817 -8.622 249 HD21 LEU 30 1HD2 LEU 30 17.183 8.366 -6.842 250 HD22 LEU 30 2HD2 LEU 30 17.683 7.820 -8.461 251 HD23 LEU 30 3HD2 LEU 30 17.824 6.721 -7.069 252 H ILE 31 H ILE 31 19.968 5.091 -5.070 253 HA ILE 31 HA ILE 31 18.501 3.005 -6.567 254 HB ILE 31 HB ILE 31 19.138 3.409 -3.626 255 HG12 ILE 31 1HG1 ILE 31 19.749 1.045 -5.396 256 HG13 ILE 31 2HG1 ILE 31 20.809 2.444 -5.313 257 HG21 ILE 31 1HG2 ILE 31 17.910 1.320 -3.191 258 HG22 ILE 31 2HG2 ILE 31 16.821 2.587 -3.803 259 HG23 ILE 31 3HG2 ILE 31 17.365 1.284 -4.886 260 HD11 ILE 31 1HD1 ILE 31 21.565 0.681 -3.820 261 HD12 ILE 31 2HD1 ILE 31 21.072 2.118 -2.893 262 HD13 ILE 31 3HD1 ILE 31 20.000 0.700 -2.975 263 H ARG 32 H ARG 32 16.368 2.918 -6.828 264 HA ARG 32 HA ARG 32 14.624 4.669 -5.208 265 HB2 ARG 32 1HB ARG 32 13.739 5.911 -6.981 266 HB3 ARG 32 2HB ARG 32 15.466 5.921 -7.306 267 HG2 ARG 32 1HG ARG 32 14.994 3.905 -8.849 268 HG3 ARG 32 2HG ARG 32 13.291 4.405 -8.726 269 HD2 ARG 32 1HD ARG 32 13.826 6.580 -9.572 270 HD3 ARG 32 2HD ARG 32 15.559 6.183 -9.587 271 HE ARG 32 HE ARG 32 13.502 5.263 -11.462 272 HH11 ARG 32 1HH1 ARG 32 16.811 5.006 -10.309 273 HH12 ARG 32 2HH1 ARG 32 17.396 4.252 -11.776 274 HH21 ARG 32 1HH2 ARG 32 14.273 4.283 -13.360 275 HH22 ARG 32 2HH2 ARG 32 15.960 3.842 -13.502 276 H GLU 33 H GLU 33 12.319 4.263 -5.603 277 HA GLU 33 HA GLU 33 11.783 1.433 -5.983 278 HB2 GLU 33 1HB GLU 33 10.542 2.954 -4.380 279 HB3 GLU 33 2HB GLU 33 9.792 3.724 -5.772 280 HG2 GLU 33 1HG GLU 33 8.701 1.663 -6.401 281 HG3 GLU 33 2HG GLU 33 9.563 0.774 -5.148 282 H SER 34 H SER 34 10.877 0.375 -7.655 283 HA SER 34 HA SER 34 11.315 1.388 -10.263 284 HB2 SER 34 1HB SER 34 11.250 -0.986 -9.858 285 HB3 SER 34 2HB SER 34 9.602 -0.900 -9.254 286 HG SER 34 HG SER 34 10.524 -1.061 -11.765 287 H GLU 35 H GLU 35 10.060 2.302 -11.805 288 HA GLU 35 HA GLU 35 7.514 3.479 -10.878 289 HB2 GLU 35 1HB GLU 35 9.083 3.886 -13.457 290 HB3 GLU 35 2HB GLU 35 7.633 4.771 -13.004 291 HG2 GLU 35 1HG GLU 35 8.876 5.578 -10.962 292 HG3 GLU 35 2HG GLU 35 10.328 4.845 -11.640 293 H SER 36 H SER 36 8.406 0.617 -12.212 294 HA SER 36 HA SER 36 5.896 0.439 -13.829 295 HB2 SER 36 1HB SER 36 6.986 -1.305 -15.138 296 HB3 SER 36 2HB SER 36 7.932 0.174 -15.185 297 HG SER 36 HG SER 36 8.408 -1.780 -13.248 298 H ALA 37 H ALA 37 7.793 -0.849 -11.219 299 HA ALA 37 HA ALA 37 5.576 -2.725 -10.621 300 HB1 ALA 37 1HB ALA 37 7.186 -4.508 -10.032 301 HB2 ALA 37 2HB ALA 37 7.282 -4.076 -11.755 302 HB3 ALA 37 3HB ALA 37 8.519 -3.488 -10.620 303 HA PRO 38 HA PRO 38 6.666 0.010 -7.097 304 HB2 PRO 38 1HB PRO 38 3.801 -0.891 -6.562 305 HB3 PRO 38 2HB PRO 38 4.541 0.686 -6.259 306 HG2 PRO 38 1HG PRO 38 3.009 0.419 -8.412 307 HG3 PRO 38 2HG PRO 38 4.538 1.289 -8.565 308 HD2 PRO 38 1HD PRO 38 3.866 -1.566 -9.362 309 HD3 PRO 38 2HD PRO 38 4.871 -0.342 -10.237 310 H GLY 39 H GLY 39 7.291 -0.645 -5.055 311 HA2 GLY 39 1HA GLY 39 7.363 -2.197 -3.202 312 HA3 GLY 39 2HA GLY 39 6.690 -3.446 -4.233 313 H ASP 40 H ASP 40 8.407 -2.966 -6.511 314 HA ASP 40 HA ASP 40 10.953 -4.064 -5.451 315 HB2 ASP 40 1HB ASP 40 9.756 -3.962 -8.244 316 HB3 ASP 40 2HB ASP 40 11.400 -4.499 -7.928 317 H PHE 41 H PHE 41 12.995 -3.333 -6.369 318 HA PHE 41 HA PHE 41 12.898 -0.354 -6.573 319 HB2 PHE 41 1HB PHE 41 14.921 -2.218 -5.284 320 HB3 PHE 41 2HB PHE 41 15.262 -0.523 -5.598 321 HD1 PHE 41 HD1 PHE 41 11.941 -0.336 -5.002 322 HD2 PHE 41 HD2 PHE 41 15.540 -1.314 -2.919 323 HE1 PHE 41 HE1 PHE 41 10.867 0.279 -2.861 324 HE2 PHE 41 HE2 PHE 41 14.469 -0.704 -0.776 325 HZ PHE 41 HZ PHE 41 12.132 0.095 -0.749 326 H SER 42 H SER 42 14.494 0.720 -7.854 327 HA SER 42 HA SER 42 16.038 -1.085 -9.670 328 HB2 SER 42 1HB SER 42 15.028 1.738 -10.143 329 HB3 SER 42 2HB SER 42 16.142 0.897 -11.210 330 HG SER 42 HG SER 42 14.455 0.129 -12.066 331 H LEU 43 H LEU 43 18.196 -0.566 -10.115 332 HA LEU 43 HA LEU 43 19.384 1.499 -8.309 333 HB2 LEU 43 1HB LEU 43 19.869 -1.049 -7.904 334 HB3 LEU 43 2HB LEU 43 20.929 -0.890 -9.308 335 HG LEU 43 HG LEU 43 21.259 1.066 -7.055 336 HD11 LEU 43 1HD1 LEU 43 22.712 -0.520 -5.875 337 HD12 LEU 43 2HD1 LEU 43 21.025 -1.083 -5.920 338 HD13 LEU 43 3HD1 LEU 43 22.234 -1.804 -7.009 339 HD21 LEU 43 1HD2 LEU 43 23.616 0.854 -7.770 340 HD22 LEU 43 2HD2 LEU 43 23.151 -0.411 -8.932 341 HD23 LEU 43 3HD2 LEU 43 22.564 1.255 -9.148 342 H SER 44 H SER 44 19.911 3.204 -9.481 343 HA SER 44 HA SER 44 20.919 2.787 -12.246 344 HB2 SER 44 1HB SER 44 19.832 5.172 -10.743 345 HB3 SER 44 2HB SER 44 20.731 5.371 -12.239 346 HG SER 44 HG SER 44 19.251 4.220 -13.309 347 H VAL 45 H VAL 45 23.029 2.582 -12.487 348 HA VAL 45 HA VAL 45 24.774 3.728 -10.360 349 HB VAL 45 HB VAL 45 24.827 1.257 -10.644 350 HG11 VAL 45 1HG1 VAL 45 25.775 0.274 -12.675 351 HG12 VAL 45 2HG1 VAL 45 24.254 1.138 -13.000 352 HG13 VAL 45 3HG1 VAL 45 25.812 1.882 -13.435 353 HG21 VAL 45 1HG2 VAL 45 27.283 1.046 -10.862 354 HG22 VAL 45 2HG2 VAL 45 27.360 2.681 -11.562 355 HG23 VAL 45 3HG2 VAL 45 26.844 2.459 -9.873 356 H LYS 46 H LYS 46 25.989 5.417 -10.831 357 HA LYS 46 HA LYS 46 26.473 6.157 -13.638 358 HB2 LYS 46 1HB LYS 46 25.914 7.917 -12.008 359 HB3 LYS 46 2HB LYS 46 27.307 7.482 -11.026 360 HG2 LYS 46 1HG LYS 46 27.952 9.403 -12.220 361 HG3 LYS 46 2HG LYS 46 28.752 8.060 -13.050 362 HD2 LYS 46 1HD LYS 46 27.231 8.118 -14.863 363 HD3 LYS 46 2HD LYS 46 26.051 9.078 -13.957 364 HE2 LYS 46 1HE LYS 46 28.430 9.945 -15.479 365 HE3 LYS 46 2HE LYS 46 26.935 10.813 -15.124 366 HZ1 LYS 46 1HZ LYS 46 28.814 11.821 -14.056 367 HZ2 LYS 46 2HZ LYS 46 27.774 11.237 -12.916 368 HZ3 LYS 46 3HZ LYS 46 29.172 10.428 -13.249 369 H PHE 47 H PHE 47 27.798 4.519 -14.413 370 HA PHE 47 HA PHE 47 30.626 4.964 -13.566 371 HB2 PHE 47 1HB PHE 47 29.566 2.635 -12.995 372 HB3 PHE 47 2HB PHE 47 29.699 2.327 -14.719 373 HD1 PHE 47 HD1 PHE 47 31.830 1.968 -15.768 374 HD2 PHE 47 HD2 PHE 47 31.578 2.955 -11.619 375 HE1 PHE 47 HE1 PHE 47 34.192 1.303 -15.469 376 HE2 PHE 47 HE2 PHE 47 33.941 2.293 -11.317 377 HZ PHE 47 HZ PHE 47 35.247 1.465 -13.243 378 H GLY 48 H GLY 48 31.898 5.700 -15.115 379 HA2 GLY 48 1HA GLY 48 32.912 5.730 -17.233 380 HA3 GLY 48 2HA GLY 48 31.661 4.662 -17.844 381 H ASN 49 H ASN 49 31.114 7.718 -16.122 382 HA ASN 49 HA ASN 49 30.063 9.664 -16.760 383 HB2 ASN 49 1HB ASN 49 31.370 8.929 -19.395 384 HB3 ASN 49 2HB ASN 49 30.476 10.424 -19.154 385 HD21 ASN 49 1HD2 ASN 49 34.247 10.576 -18.404 386 HD22 ASN 49 2HD2 ASN 49 33.397 9.667 -19.608 387 H ASP 50 H ASP 50 28.823 6.875 -17.201 388 HA ASP 50 HA ASP 50 26.316 8.117 -18.135 389 HB2 ASP 50 1HB ASP 50 27.616 6.755 -20.032 390 HB3 ASP 50 2HB ASP 50 26.910 5.372 -19.209 391 H VAL 51 H VAL 51 24.478 6.387 -17.900 392 HA VAL 51 HA VAL 51 24.906 5.163 -15.206 393 HB VAL 51 HB VAL 51 22.344 6.420 -16.273 394 HG11 VAL 51 1HG1 VAL 51 21.584 6.246 -13.953 395 HG12 VAL 51 2HG1 VAL 51 21.963 4.653 -14.651 396 HG13 VAL 51 3HG1 VAL 51 23.100 5.422 -13.519 397 HG21 VAL 51 1HG2 VAL 51 22.834 8.258 -14.689 398 HG22 VAL 51 2HG2 VAL 51 24.390 7.493 -14.287 399 HG23 VAL 51 3HG2 VAL 51 24.104 8.119 -15.928 400 H GLN 52 H GLN 52 24.684 3.033 -15.173 401 HA GLN 52 HA GLN 52 22.868 1.737 -17.129 402 HB2 GLN 52 1HB GLN 52 24.810 0.575 -15.092 403 HB3 GLN 52 2HB GLN 52 23.782 -0.390 -16.143 404 HG2 GLN 52 1HG GLN 52 25.855 1.581 -17.125 405 HG3 GLN 52 2HG GLN 52 26.109 -0.178 -16.944 406 HE21 GLN 52 1HE2 GLN 52 23.871 -1.025 -19.654 407 HE22 GLN 52 2HE2 GLN 52 24.253 -1.508 -18.035 408 H HIS 53 H HIS 53 21.139 0.439 -16.539 409 HA HIS 53 HA HIS 53 20.051 1.066 -13.818 410 HB2 HIS 53 1HB HIS 53 18.657 2.011 -15.553 411 HB3 HIS 53 2HB HIS 53 18.651 0.500 -16.453 412 HD2 HIS 53 HD2 HIS 53 15.923 2.158 -14.746 413 HE1 HIS 53 HE1 HIS 53 15.797 -1.751 -13.087 414 H PHE 54 H PHE 54 20.098 -0.517 -12.423 415 HA PHE 54 HA PHE 54 19.984 -3.314 -13.454 416 HB2 PHE 54 1HB PHE 54 20.835 -2.337 -10.700 417 HB3 PHE 54 2HB PHE 54 20.956 -3.979 -11.312 418 HD1 PHE 54 HD1 PHE 54 21.852 -3.018 -14.167 419 HD2 PHE 54 HD2 PHE 54 23.182 -2.186 -10.193 420 HE1 PHE 54 HE1 PHE 54 24.117 -2.531 -15.029 421 HE2 PHE 54 HE2 PHE 54 25.448 -1.696 -11.052 422 HZ PHE 54 HZ PHE 54 25.916 -1.871 -13.471 423 H LYS 55 H LYS 55 18.600 -4.835 -12.540 424 HA LYS 55 HA LYS 55 16.175 -3.682 -11.308 425 HB2 LYS 55 1HB LYS 55 15.200 -5.923 -11.683 426 HB3 LYS 55 2HB LYS 55 15.861 -5.246 -13.164 427 HG2 LYS 55 1HG LYS 55 17.982 -6.629 -12.621 428 HG3 LYS 55 2HG LYS 55 16.947 -7.495 -11.478 429 HD2 LYS 55 1HD LYS 55 15.312 -7.819 -13.432 430 HD3 LYS 55 2HD LYS 55 16.623 -7.262 -14.483 431 HE2 LYS 55 1HE LYS 55 18.077 -9.074 -13.613 432 HE3 LYS 55 2HE LYS 55 16.754 -9.639 -12.590 433 HZ1 LYS 55 1HZ LYS 55 16.896 -10.886 -14.619 434 HZ2 LYS 55 2HZ LYS 55 15.473 -10.054 -14.578 435 HZ3 LYS 55 3HZ LYS 55 16.711 -9.527 -15.532 436 H VAL 56 H VAL 56 15.853 -3.619 -9.218 437 HA VAL 56 HA VAL 56 17.291 -5.606 -7.513 438 HB VAL 56 HB VAL 56 16.090 -2.900 -6.782 439 HG11 VAL 56 1HG1 VAL 56 17.122 -3.249 -4.591 440 HG12 VAL 56 2HG1 VAL 56 15.885 -4.478 -4.949 441 HG13 VAL 56 3HG1 VAL 56 17.612 -4.888 -5.084 442 HG21 VAL 56 1HG2 VAL 56 18.451 -2.248 -6.432 443 HG22 VAL 56 2HG2 VAL 56 18.975 -3.857 -6.987 444 HG23 VAL 56 3HG2 VAL 56 18.164 -2.745 -8.116 445 H LEU 57 H LEU 57 16.052 -7.292 -6.972 446 HA LEU 57 HA LEU 57 13.101 -6.862 -7.128 447 HB2 LEU 57 1HB LEU 57 14.660 -9.415 -7.648 448 HB3 LEU 57 2HB LEU 57 12.932 -9.158 -7.910 449 HG LEU 57 HG LEU 57 15.172 -7.797 -9.450 450 HD11 LEU 57 1HD1 LEU 57 14.421 -9.225 -11.300 451 HD12 LEU 57 2HD1 LEU 57 15.005 -10.188 -9.922 452 HD13 LEU 57 3HD1 LEU 57 13.257 -10.021 -10.214 453 HD21 LEU 57 1HD2 LEU 57 13.326 -7.004 -10.889 454 HD22 LEU 57 2HD2 LEU 57 12.146 -7.768 -9.797 455 HD23 LEU 57 3HD2 LEU 57 13.139 -6.409 -9.222 456 H ARG 58 H ARG 58 11.736 -7.772 -5.639 457 HA ARG 58 HA ARG 58 12.881 -8.539 -3.072 458 HB2 ARG 58 1HB ARG 58 10.035 -8.488 -4.122 459 HB3 ARG 58 2HB ARG 58 10.454 -8.972 -2.486 460 HG2 ARG 58 1HG ARG 58 11.303 -6.773 -1.980 461 HG3 ARG 58 2HG ARG 58 11.102 -6.263 -3.674 462 HD2 ARG 58 1HD ARG 58 8.860 -7.176 -1.890 463 HD3 ARG 58 2HD ARG 58 9.325 -5.479 -2.153 464 HE ARG 58 HE ARG 58 8.966 -6.500 -4.684 465 HH11 ARG 58 1HH1 ARG 58 6.995 -6.265 -1.786 466 HH12 ARG 58 2HH1 ARG 58 5.488 -6.162 -2.667 467 HH21 ARG 58 1HH2 ARG 58 7.003 -6.366 -5.818 468 HH22 ARG 58 2HH2 ARG 58 5.491 -6.219 -4.949 469 H ASP 59 H ASP 59 13.124 -10.522 -2.200 470 HA ASP 59 HA ASP 59 12.369 -12.873 -3.832 471 HB2 ASP 59 1HB ASP 59 13.657 -14.174 -2.240 472 HB3 ASP 59 2HB ASP 59 14.612 -12.785 -2.740 473 H GLY 60 H GLY 60 11.863 -14.762 -1.929 474 HA2 GLY 60 1HA GLY 60 9.036 -14.294 -1.566 475 HA3 GLY 60 2HA GLY 60 9.927 -15.717 -1.062 476 H ALA 61 H ALA 61 11.768 -13.487 0.292 477 HA ALA 61 HA ALA 61 10.370 -13.674 2.877 478 HB1 ALA 61 1HB ALA 61 12.483 -12.789 3.810 479 HB2 ALA 61 2HB ALA 61 12.762 -14.218 2.787 480 HB3 ALA 61 3HB ALA 61 13.119 -12.591 2.161 481 H GLY 62 H GLY 62 10.386 -11.543 0.314 482 HA2 GLY 62 1HA GLY 62 9.632 -9.321 0.167 483 HA3 GLY 62 2HA GLY 62 9.510 -9.250 1.915 484 H LYS 63 H LYS 63 12.479 -10.495 0.679 485 HA LYS 63 HA LYS 63 13.820 -7.962 1.502 486 HB2 LYS 63 1HB LYS 63 14.688 -10.862 1.503 487 HB3 LYS 63 2HB LYS 63 15.875 -9.567 1.560 488 HG2 LYS 63 1HG LYS 63 14.619 -8.683 3.602 489 HG3 LYS 63 2HG LYS 63 13.737 -10.217 3.594 490 HD2 LYS 63 1HD LYS 63 16.762 -10.145 3.542 491 HD3 LYS 63 2HD LYS 63 15.862 -10.036 5.062 492 HE2 LYS 63 1HE LYS 63 14.691 -12.172 4.461 493 HE3 LYS 63 2HE LYS 63 15.724 -12.297 3.035 494 HZ1 LYS 63 1HZ LYS 63 16.581 -13.571 4.859 495 HZ2 LYS 63 2HZ LYS 63 17.630 -12.351 4.492 496 HZ3 LYS 63 3HZ LYS 63 16.665 -12.238 5.824 497 H TYR 64 H TYR 64 15.567 -7.124 0.307 498 HA TYR 64 HA TYR 64 14.915 -7.406 -2.565 499 HB2 TYR 64 1HB TYR 64 16.403 -5.266 -0.994 500 HB3 TYR 64 2HB TYR 64 16.228 -5.242 -2.744 501 HD1 TYR 64 HD1 TYR 64 14.478 -4.907 0.472 502 HD2 TYR 64 HD2 TYR 64 14.114 -4.731 -3.799 503 HE1 TYR 64 HE1 TYR 64 12.296 -3.768 0.704 504 HE2 TYR 64 HE2 TYR 64 11.934 -3.592 -3.567 505 HH TYR 64 HH TYR 64 10.296 -3.030 -2.127 506 H PHE 65 H PHE 65 16.291 -7.986 -4.136 507 HA PHE 65 HA PHE 65 19.184 -8.091 -3.504 508 HB2 PHE 65 1HB PHE 65 19.470 -10.328 -4.350 509 HB3 PHE 65 2HB PHE 65 18.246 -10.385 -3.093 510 HD1 PHE 65 HD1 PHE 65 18.928 -10.781 -6.651 511 HD2 PHE 65 HD2 PHE 65 15.885 -10.740 -3.654 512 HE1 PHE 65 HE1 PHE 65 17.369 -11.882 -8.222 513 HE2 PHE 65 HE2 PHE 65 14.324 -11.844 -5.220 514 HZ PHE 65 HZ PHE 65 15.066 -12.413 -7.507 515 H LEU 66 H LEU 66 20.484 -8.549 -5.521 516 HA LEU 66 HA LEU 66 19.136 -7.393 -7.913 517 HB2 LEU 66 1HB LEU 66 20.423 -5.669 -6.508 518 HB3 LEU 66 2HB LEU 66 21.890 -6.524 -6.992 519 HG LEU 66 HG LEU 66 19.926 -5.252 -8.930 520 HD11 LEU 66 1HD1 LEU 66 21.635 -3.507 -9.173 521 HD12 LEU 66 2HD1 LEU 66 20.997 -3.575 -7.513 522 HD13 LEU 66 3HD1 LEU 66 22.596 -4.268 -7.882 523 HD21 LEU 66 1HD2 LEU 66 21.764 -5.606 -10.542 524 HD22 LEU 66 2HD2 LEU 66 22.727 -6.397 -9.272 525 HD23 LEU 66 3HD2 LEU 66 21.219 -7.149 -9.844 526 H TRP 67 H TRP 67 22.319 -8.637 -6.792 527 HA TRP 67 HA TRP 67 22.830 -9.499 -9.571 528 HB2 TRP 67 1HB TRP 67 24.619 -9.332 -7.114 529 HB3 TRP 67 2HB TRP 67 25.158 -9.923 -8.680 530 HD1 TRP 67 HD1 TRP 67 24.778 -6.777 -6.720 531 HE1 TRP 67 HE1 TRP 67 25.307 -4.713 -8.186 532 HE3 TRP 67 HE3 TRP 67 24.798 -9.060 -11.313 533 HZ2 TRP 67 HZ2 TRP 67 25.684 -4.157 -10.927 534 HZ3 TRP 67 HZ3 TRP 67 25.248 -7.703 -13.319 535 HH2 TRP 67 HH2 TRP 67 25.688 -5.291 -13.136 536 H VAL 68 H VAL 68 24.397 -11.127 -6.933 537 HA VAL 68 HA VAL 68 22.753 -13.561 -7.389 538 HB VAL 68 HB VAL 68 25.789 -13.450 -7.641 539 HG11 VAL 68 1HG1 VAL 68 25.640 -15.842 -8.136 540 HG12 VAL 68 2HG1 VAL 68 25.069 -15.465 -6.494 541 HG13 VAL 68 3HG1 VAL 68 23.896 -15.804 -7.788 542 HG21 VAL 68 1HG2 VAL 68 25.358 -14.187 -9.963 543 HG22 VAL 68 2HG2 VAL 68 23.605 -14.093 -9.666 544 HG23 VAL 68 3HG2 VAL 68 24.595 -12.613 -9.636 545 H VAL 69 H VAL 69 25.740 -12.488 -5.699 546 HA VAL 69 HA VAL 69 25.302 -13.905 -3.294 547 HB VAL 69 HB VAL 69 27.387 -12.621 -3.965 548 HG11 VAL 69 1HG1 VAL 69 27.506 -10.245 -3.392 549 HG12 VAL 69 2HG1 VAL 69 26.322 -10.561 -4.682 550 HG13 VAL 69 3HG1 VAL 69 25.766 -10.248 -3.020 551 HG21 VAL 69 1HG2 VAL 69 27.928 -11.955 -1.645 552 HG22 VAL 69 2HG2 VAL 69 26.200 -12.017 -1.225 553 HG23 VAL 69 3HG2 VAL 69 27.059 -13.508 -1.682 554 H LYS 70 H LYS 70 24.245 -13.479 -1.402 555 HA LYS 70 HA LYS 70 22.294 -11.216 -1.509 556 HB2 LYS 70 1HB LYS 70 21.138 -13.324 -2.018 557 HB3 LYS 70 2HB LYS 70 21.802 -14.070 -0.571 558 HG2 LYS 70 1HG LYS 70 19.524 -13.468 -0.144 559 HG3 LYS 70 2HG LYS 70 20.561 -12.400 0.811 560 HD2 LYS 70 1HD LYS 70 20.248 -10.579 -0.733 561 HD3 LYS 70 2HD LYS 70 19.459 -11.636 -1.913 562 HE2 LYS 70 1HE LYS 70 18.380 -10.935 0.842 563 HE3 LYS 70 2HE LYS 70 17.817 -10.263 -0.690 564 HZ1 LYS 70 1HZ LYS 70 16.415 -12.040 0.062 565 HZ2 LYS 70 2HZ LYS 70 17.152 -12.472 -1.349 566 HZ3 LYS 70 3HZ LYS 70 17.678 -13.100 0.083 567 H PHE 71 H PHE 71 22.361 -9.883 0.143 568 HA PHE 71 HA PHE 71 23.385 -10.946 2.744 569 HB2 PHE 71 1HB PHE 71 23.515 -8.134 1.592 570 HB3 PHE 71 2HB PHE 71 23.898 -8.519 3.263 571 HD1 PHE 71 HD1 PHE 71 24.892 -9.169 -0.250 572 HD2 PHE 71 HD2 PHE 71 26.002 -9.384 3.871 573 HE1 PHE 71 HE1 PHE 71 27.216 -9.700 -0.904 574 HE2 PHE 71 HE2 PHE 71 28.328 -9.913 3.220 575 HZ PHE 71 HZ PHE 71 28.934 -10.072 0.830 576 H ASN 72 H ASN 72 22.596 -8.950 4.424 577 HA ASN 72 HA ASN 72 19.935 -9.911 4.932 578 HB2 ASN 72 1HB ASN 72 21.590 -7.730 6.237 579 HB3 ASN 72 2HB ASN 72 20.010 -8.232 6.823 580 HD21 ASN 72 1HD2 ASN 72 23.323 -10.382 7.647 581 HD22 ASN 72 2HD2 ASN 72 23.358 -8.925 6.711 582 H SER 73 H SER 73 21.188 -7.105 3.307 583 HA SER 73 HA SER 73 18.485 -6.415 2.439 584 HB2 SER 73 1HB SER 73 18.472 -4.150 3.269 585 HB3 SER 73 2HB SER 73 18.668 -5.247 4.628 586 HG SER 73 HG SER 73 20.498 -4.426 5.016 587 H LEU 74 H LEU 74 18.468 -4.718 0.804 588 HA LEU 74 HA LEU 74 20.397 -4.902 -1.180 589 HB2 LEU 74 1HB LEU 74 18.231 -3.812 -1.505 590 HB3 LEU 74 2HB LEU 74 18.704 -2.491 -0.433 591 HG LEU 74 HG LEU 74 20.494 -1.868 -2.075 592 HD11 LEU 74 1HD1 LEU 74 20.382 -2.836 -4.328 593 HD12 LEU 74 2HD1 LEU 74 20.782 -4.064 -3.103 594 HD13 LEU 74 3HD1 LEU 74 19.136 -3.979 -3.775 595 HD21 LEU 74 1HD2 LEU 74 18.915 -0.896 -3.709 596 HD22 LEU 74 2HD2 LEU 74 17.646 -2.012 -3.148 597 HD23 LEU 74 3HD2 LEU 74 18.282 -0.762 -2.050 598 H ASN 75 H ASN 75 20.384 -2.760 1.647 599 HA ASN 75 HA ASN 75 22.406 -0.986 0.675 600 HB2 ASN 75 1HB ASN 75 21.398 -1.618 3.461 601 HB3 ASN 75 2HB ASN 75 22.639 -0.410 3.155 602 HD21 ASN 75 1HD2 ASN 75 19.282 1.194 3.262 603 HD22 ASN 75 2HD2 ASN 75 20.180 0.169 4.330 604 H GLU 76 H GLU 76 22.576 -4.159 2.000 605 HA GLU 76 HA GLU 76 25.349 -3.821 2.932 606 HB2 GLU 76 1HB GLU 76 23.444 -6.191 2.897 607 HB3 GLU 76 2HB GLU 76 25.109 -6.307 3.447 608 HG2 GLU 76 1HG GLU 76 24.553 -4.462 5.111 609 HG3 GLU 76 2HG GLU 76 22.865 -4.699 4.664 610 H LEU 77 H LEU 77 23.574 -5.433 0.311 611 HA LEU 77 HA LEU 77 25.899 -6.912 -0.587 612 HB2 LEU 77 1HB LEU 77 24.498 -7.778 -2.277 613 HB3 LEU 77 2HB LEU 77 23.445 -7.564 -0.876 614 HG LEU 77 HG LEU 77 22.956 -5.219 -2.085 615 HD11 LEU 77 1HD1 LEU 77 22.900 -5.532 -4.520 616 HD12 LEU 77 2HD1 LEU 77 24.560 -5.604 -3.886 617 HD13 LEU 77 3HD1 LEU 77 23.715 -7.104 -4.336 618 HD21 LEU 77 1HD2 LEU 77 20.990 -6.327 -3.097 619 HD22 LEU 77 2HD2 LEU 77 21.778 -7.910 -2.893 620 HD23 LEU 77 3HD2 LEU 77 21.311 -6.959 -1.464 621 H VAL 78 H VAL 78 24.397 -3.839 -1.401 622 HA VAL 78 HA VAL 78 26.034 -3.357 -3.739 623 HB VAL 78 HB VAL 78 25.248 -1.043 -3.553 624 HG11 VAL 78 1HG1 VAL 78 22.834 -1.435 -3.633 625 HG12 VAL 78 2HG1 VAL 78 23.741 -2.678 -4.527 626 HG13 VAL 78 3HG1 VAL 78 23.072 -3.047 -2.919 627 HG21 VAL 78 1HG2 VAL 78 23.839 -0.352 -1.639 628 HG22 VAL 78 2HG2 VAL 78 24.116 -1.933 -0.867 629 HG23 VAL 78 3HG2 VAL 78 25.474 -0.806 -1.104 630 H ASP 79 H ASP 79 26.430 -2.945 -0.280 631 HA ASP 79 HA ASP 79 28.860 -1.373 -0.483 632 HB2 ASP 79 1HB ASP 79 27.403 -1.507 1.573 633 HB3 ASP 79 2HB ASP 79 27.937 -3.167 1.796 634 H TYR 80 H TYR 80 28.141 -4.851 -0.053 635 HA TYR 80 HA TYR 80 30.771 -5.841 -0.257 636 HB2 TYR 80 1HB TYR 80 28.905 -7.329 0.190 637 HB3 TYR 80 2HB TYR 80 28.156 -6.940 -1.352 638 HD1 TYR 80 HD1 TYR 80 31.189 -8.494 0.159 639 HD2 TYR 80 HD2 TYR 80 28.630 -8.185 -3.271 640 HE1 TYR 80 HE1 TYR 80 32.372 -10.390 -0.895 641 HE2 TYR 80 HE2 TYR 80 29.814 -10.082 -4.325 642 HH TYR 80 HH TYR 80 32.516 -11.708 -2.678 643 H HIS 81 H HIS 81 28.499 -4.967 -2.869 644 HA HIS 81 HA HIS 81 30.626 -5.324 -4.887 645 HB2 HIS 81 1HB HIS 81 27.717 -4.475 -5.058 646 HB3 HIS 81 2HB HIS 81 28.799 -4.467 -6.443 647 HD2 HIS 81 HD2 HIS 81 26.330 -6.936 -4.828 648 HE1 HIS 81 HE1 HIS 81 29.194 -9.244 -6.955 649 H ARG 82 H ARG 82 30.268 -3.064 -2.637 650 HA ARG 82 HA ARG 82 31.116 -0.853 -4.400 651 HB2 ARG 82 1HB ARG 82 29.829 -0.308 -2.386 652 HB3 ARG 82 2HB ARG 82 31.027 -1.100 -1.373 653 HG2 ARG 82 1HG ARG 82 32.674 0.575 -1.879 654 HG3 ARG 82 2HG ARG 82 31.619 1.308 -3.111 655 HD2 ARG 82 1HD ARG 82 31.513 2.623 -1.141 656 HD3 ARG 82 2HD ARG 82 29.968 1.759 -1.320 657 HE ARG 82 HE ARG 82 30.421 0.551 0.591 658 HH11 ARG 82 1HH1 ARG 82 33.278 2.344 -0.386 659 HH12 ARG 82 2HH1 ARG 82 34.135 2.039 1.108 660 HH21 ARG 82 1HH2 ARG 82 31.543 0.160 2.526 661 HH22 ARG 82 2HH2 ARG 82 33.154 0.802 2.758 662 H SER 83 H SER 83 32.509 -2.963 -1.869 663 HA SER 83 HA SER 83 35.203 -1.977 -2.341 664 HB2 SER 83 1HB SER 83 35.882 -3.626 -0.730 665 HB3 SER 83 2HB SER 83 34.399 -2.881 -0.153 666 HG SER 83 HG SER 83 33.794 -4.924 -1.720 667 H THR 84 H THR 84 33.170 -4.389 -3.746 668 HA THR 84 HA THR 84 35.473 -5.215 -5.450 669 HB THR 84 HB THR 84 33.322 -7.086 -4.368 670 HG1 THR 84 HG1 THR 84 35.859 -6.396 -3.533 671 HG21 THR 84 1HG2 THR 84 34.609 -8.839 -5.526 672 HG22 THR 84 2HG2 THR 84 34.005 -7.626 -6.680 673 HG23 THR 84 3HG2 THR 84 35.711 -7.605 -6.179 674 H SER 85 H SER 85 35.048 -5.584 -7.593 675 HA SER 85 HA SER 85 32.962 -4.097 -8.786 676 HB2 SER 85 1HB SER 85 33.658 -5.063 -10.858 677 HB3 SER 85 2HB SER 85 35.099 -4.850 -9.877 678 HG SER 85 HG SER 85 34.324 -6.996 -11.001 679 H VAL 86 H VAL 86 31.245 -4.901 -10.219 680 HA VAL 86 HA VAL 86 29.624 -6.901 -8.831 681 HB VAL 86 HB VAL 86 27.890 -6.315 -10.446 682 HG11 VAL 86 1HG1 VAL 86 27.699 -3.915 -10.014 683 HG12 VAL 86 2HG1 VAL 86 28.214 -4.814 -8.568 684 HG13 VAL 86 3HG1 VAL 86 29.403 -3.873 -9.500 685 HG21 VAL 86 1HG2 VAL 86 28.354 -4.710 -12.272 686 HG22 VAL 86 2HG2 VAL 86 30.076 -4.701 -11.824 687 HG23 VAL 86 3HG2 VAL 86 29.327 -6.189 -12.453 688 H SER 87 H SER 87 32.031 -7.003 -11.190 689 HA SER 87 HA SER 87 31.446 -9.712 -12.004 690 HB2 SER 87 1HB SER 87 29.737 -8.666 -13.361 691 HB3 SER 87 2HB SER 87 30.870 -7.462 -13.953 692 HG SER 87 HG SER 87 30.334 -9.780 -14.961 693 H ARG 88 H ARG 88 33.039 -10.592 -13.441 694 HA ARG 88 HA ARG 88 35.617 -9.222 -13.344 695 HB2 ARG 88 1HB ARG 88 34.720 -11.814 -14.643 696 HB3 ARG 88 2HB ARG 88 36.373 -11.220 -14.691 697 HG2 ARG 88 1HG ARG 88 36.507 -11.345 -12.245 698 HG3 ARG 88 2HG ARG 88 34.824 -11.924 -12.185 699 HD2 ARG 88 1HD ARG 88 35.445 -13.865 -13.503 700 HD3 ARG 88 2HD ARG 88 37.125 -13.286 -13.566 701 HE ARG 88 HE ARG 88 36.398 -13.404 -10.867 702 HH11 ARG 88 1HH1 ARG 88 36.796 -15.610 -13.572 703 HH12 ARG 88 2HH1 ARG 88 37.241 -16.967 -12.562 704 HH21 ARG 88 1HH2 ARG 88 36.977 -15.173 -9.567 705 HH22 ARG 88 2HH2 ARG 88 37.344 -16.720 -10.294 706 H ASN 89 H ASN 89 32.933 -9.329 -15.485 707 HA ASN 89 HA ASN 89 34.650 -8.382 -17.743 708 HB2 ASN 89 1HB ASN 89 31.985 -9.835 -17.807 709 HB3 ASN 89 2HB ASN 89 32.797 -9.177 -19.220 710 HD21 ASN 89 1HD2 ASN 89 33.784 -12.783 -17.785 711 HD22 ASN 89 2HD2 ASN 89 32.450 -11.845 -17.203 712 H GLN 90 H GLN 90 31.633 -7.878 -15.961 713 HA GLN 90 HA GLN 90 31.083 -5.454 -17.567 714 HB2 GLN 90 1HB GLN 90 29.463 -6.754 -15.339 715 HB3 GLN 90 2HB GLN 90 28.939 -5.401 -16.333 716 HG2 GLN 90 1HG GLN 90 28.988 -6.808 -18.326 717 HG3 GLN 90 2HG GLN 90 29.567 -8.183 -17.343 718 HE21 GLN 90 1HE2 GLN 90 25.929 -8.607 -17.800 719 HE22 GLN 90 2HE2 GLN 90 27.337 -8.571 -18.811 720 H GLN 91 H GLN 91 32.398 -3.815 -16.972 721 HA GLN 91 HA GLN 91 33.454 -3.783 -14.256 722 HB2 GLN 91 1HB GLN 91 33.905 -1.883 -16.593 723 HB3 GLN 91 2HB GLN 91 34.804 -1.857 -15.083 724 HG2 GLN 91 1HG GLN 91 34.726 -4.196 -17.000 725 HG3 GLN 91 2HG GLN 91 36.017 -2.964 -16.914 726 HE21 GLN 91 1HE2 GLN 91 36.198 -6.207 -14.605 727 HE22 GLN 91 2HE2 GLN 91 35.181 -6.030 -15.997 728 H ILE 92 H ILE 92 31.249 -3.454 -13.310 729 HA ILE 92 HA ILE 92 30.873 -0.506 -12.991 730 HB ILE 92 HB ILE 92 28.846 -2.685 -12.338 731 HG12 ILE 92 1HG1 ILE 92 29.441 -2.418 -14.803 732 HG13 ILE 92 2HG1 ILE 92 27.748 -2.290 -14.353 733 HG21 ILE 92 1HG2 ILE 92 27.285 -0.786 -12.189 734 HG22 ILE 92 2HG2 ILE 92 28.619 -0.610 -11.025 735 HG23 ILE 92 3HG2 ILE 92 28.620 0.342 -12.527 736 HD11 ILE 92 1HD1 ILE 92 28.352 -0.592 -15.985 737 HD12 ILE 92 2HD1 ILE 92 27.897 0.162 -14.438 738 HD13 ILE 92 3HD1 ILE 92 29.612 0.032 -14.895 739 H PHE 93 H PHE 93 31.153 0.388 -11.016 740 HA PHE 93 HA PHE 93 31.069 -1.483 -8.684 741 HB2 PHE 93 1HB PHE 93 32.533 1.174 -8.946 742 HB3 PHE 93 2HB PHE 93 32.399 0.250 -7.459 743 HD1 PHE 93 HD1 PHE 93 33.783 0.212 -10.891 744 HD2 PHE 93 HD2 PHE 93 33.804 -1.605 -7.024 745 HE1 PHE 93 HE1 PHE 93 35.805 -1.070 -11.506 746 HE2 PHE 93 HE2 PHE 93 35.827 -2.887 -7.635 747 HZ PHE 93 HZ PHE 93 36.827 -2.621 -9.878 748 H LEU 94 H LEU 94 29.852 -0.920 -6.901 749 HA LEU 94 HA LEU 94 28.011 1.393 -7.299 750 HB2 LEU 94 1HB LEU 94 27.706 -0.980 -5.427 751 HB3 LEU 94 2HB LEU 94 26.508 0.283 -5.732 752 HG LEU 94 HG LEU 94 27.416 -1.905 -7.625 753 HD11 LEU 94 1HD1 LEU 94 25.037 -2.503 -7.549 754 HD12 LEU 94 2HD1 LEU 94 25.778 -2.540 -5.931 755 HD13 LEU 94 3HD1 LEU 94 24.740 -1.173 -6.405 756 HD21 LEU 94 1HD2 LEU 94 25.879 -0.875 -9.264 757 HD22 LEU 94 2HD2 LEU 94 25.592 0.480 -8.144 758 HD23 LEU 94 3HD2 LEU 94 27.208 0.234 -8.848 759 H ARG 95 H ARG 95 29.071 3.108 -6.447 760 HA ARG 95 HA ARG 95 30.269 2.740 -3.734 761 HB2 ARG 95 1HB ARG 95 31.067 4.661 -5.948 762 HB3 ARG 95 2HB ARG 95 31.783 4.616 -4.344 763 HG2 ARG 95 1HG ARG 95 32.685 2.407 -4.744 764 HG3 ARG 95 2HG ARG 95 31.848 2.316 -6.313 765 HD2 ARG 95 1HD ARG 95 33.133 4.240 -7.089 766 HD3 ARG 95 2HD ARG 95 33.994 4.274 -5.532 767 HE ARG 95 HE ARG 95 34.584 1.824 -6.210 768 HH11 ARG 95 1HH1 ARG 95 34.324 4.589 -8.361 769 HH12 ARG 95 2HH1 ARG 95 35.491 3.967 -9.505 770 HH21 ARG 95 1HH2 ARG 95 36.098 1.027 -7.703 771 HH22 ARG 95 2HH2 ARG 95 36.496 1.951 -9.135 772 H ASP 96 H ASP 96 30.498 4.897 -2.547 773 HA ASP 96 HA ASP 96 27.812 6.173 -2.609 774 HB2 ASP 96 1HB ASP 96 29.947 6.044 -0.444 775 HB3 ASP 96 2HB ASP 96 28.468 6.984 -0.304 Start of MODEL 7 1 H1 MET 1 1H MET 1 -0.982 -0.168 -1.377 2 H2 MET 1 2H MET 1 -0.922 1.218 -0.517 3 H3 MET 1 3H MET 1 -0.588 1.234 -2.114 4 HA MET 1 HA MET 1 0.968 -0.084 -0.036 5 HB2 MET 1 1HB MET 1 1.367 0.105 -3.046 6 HB3 MET 1 2HB MET 1 2.609 -0.436 -1.925 7 HG2 MET 1 1HG MET 1 1.198 -2.326 -1.246 8 HG3 MET 1 2HG MET 1 -0.083 -1.772 -2.326 9 HE1 MET 1 1HE MET 1 3.994 -3.487 -3.668 10 HE2 MET 1 2HE MET 1 3.859 -1.945 -2.786 11 HE3 MET 1 3HE MET 1 3.399 -3.469 -1.991 12 H LYS 2 H LYS 2 1.565 1.578 1.208 13 HA LYS 2 HA LYS 2 2.230 4.188 0.252 14 HB2 LYS 2 1HB LYS 2 1.690 3.666 2.625 15 HB3 LYS 2 2HB LYS 2 3.190 2.761 2.766 16 HG2 LYS 2 1HG LYS 2 4.487 4.807 2.355 17 HG3 LYS 2 2HG LYS 2 2.988 5.726 2.168 18 HD2 LYS 2 1HD LYS 2 2.345 5.167 4.486 19 HD3 LYS 2 2HD LYS 2 3.830 4.224 4.675 20 HE2 LYS 2 1HE LYS 2 5.175 6.262 4.274 21 HE3 LYS 2 2HE LYS 2 3.695 7.204 4.084 22 HZ1 LYS 2 1HZ LYS 2 4.591 7.402 6.286 23 HZ2 LYS 2 2HZ LYS 2 3.123 6.652 6.349 24 HZ3 LYS 2 3HZ LYS 2 4.507 5.773 6.526 25 HA PRO 3 HA PRO 3 6.038 3.207 -1.626 26 HB2 PRO 3 1HB PRO 3 6.773 5.741 -2.376 27 HB3 PRO 3 2HB PRO 3 5.457 4.869 -3.174 28 HG2 PRO 3 1HG PRO 3 5.297 6.941 -0.942 29 HG3 PRO 3 2HG PRO 3 4.374 6.883 -2.447 30 HD2 PRO 3 1HD PRO 3 3.331 5.930 -0.123 31 HD3 PRO 3 2HD PRO 3 2.982 5.127 -1.706 32 H HIS 4 H HIS 4 8.351 3.662 -1.354 33 HA HIS 4 HA HIS 4 8.994 4.110 1.476 34 HB2 HIS 4 1HB HIS 4 10.692 3.354 -0.928 35 HB3 HIS 4 2HB HIS 4 11.336 3.564 0.694 36 HD2 HIS 4 HD2 HIS 4 8.915 1.090 -1.208 37 HE1 HIS 4 HE1 HIS 4 10.223 -0.718 2.423 38 HA PRO 5 HA PRO 5 10.345 8.251 0.902 39 HB2 PRO 5 1HB PRO 5 11.479 8.702 3.320 40 HB3 PRO 5 2HB PRO 5 9.731 8.474 3.172 41 HG2 PRO 5 1HG PRO 5 11.861 6.450 3.985 42 HG3 PRO 5 2HG PRO 5 10.319 6.793 4.774 43 HD2 PRO 5 1HD PRO 5 10.649 4.717 2.988 44 HD3 PRO 5 2HD PRO 5 9.074 5.581 3.207 45 H TRP 6 H TRP 6 12.225 5.461 1.065 46 HA TRP 6 HA TRP 6 14.808 6.427 1.727 47 HB2 TRP 6 1HB TRP 6 13.984 4.095 -0.048 48 HB3 TRP 6 2HB TRP 6 15.623 4.377 0.521 49 HD1 TRP 6 HD1 TRP 6 12.973 2.172 1.306 50 HE1 TRP 6 HE1 TRP 6 12.918 1.453 3.790 51 HE3 TRP 6 HE3 TRP 6 15.990 5.834 3.251 52 HZ2 TRP 6 HZ2 TRP 6 14.024 2.340 6.232 53 HZ3 TRP 6 HZ3 TRP 6 16.451 5.844 5.671 54 HH2 TRP 6 HH2 TRP 6 15.489 4.125 7.143 55 H PHE 7 H PHE 7 16.544 7.132 0.546 56 HA PHE 7 HA PHE 7 17.514 8.491 -1.044 57 HB2 PHE 7 1HB PHE 7 16.264 6.244 -2.544 58 HB3 PHE 7 2HB PHE 7 16.687 7.649 -3.510 59 HD1 PHE 7 HD1 PHE 7 18.006 4.998 -1.318 60 HD2 PHE 7 HD2 PHE 7 18.968 8.231 -3.939 61 HE1 PHE 7 HE1 PHE 7 20.358 4.238 -1.387 62 HE2 PHE 7 HE2 PHE 7 21.320 7.474 -4.014 63 HZ PHE 7 HZ PHE 7 22.015 5.477 -2.736 64 H PHE 8 H PHE 8 14.941 7.981 -3.334 65 HA PHE 8 HA PHE 8 14.049 10.792 -2.877 66 HB2 PHE 8 1HB PHE 8 14.956 9.554 -5.504 67 HB3 PHE 8 2HB PHE 8 14.084 11.073 -5.393 68 HD1 PHE 8 HD1 PHE 8 17.230 9.357 -4.477 69 HD2 PHE 8 HD2 PHE 8 15.177 13.089 -4.804 70 HE1 PHE 8 HE1 PHE 8 19.366 10.558 -4.148 71 HE2 PHE 8 HE2 PHE 8 17.312 14.293 -4.477 72 HZ PHE 8 HZ PHE 8 19.406 13.027 -4.147 73 H GLY 9 H GLY 9 12.986 7.894 -2.572 74 HA2 GLY 9 1HA GLY 9 10.929 6.846 -2.790 75 HA3 GLY 9 2HA GLY 9 10.253 8.439 -3.076 76 H LYS 10 H LYS 10 9.149 8.558 -4.917 77 HA LYS 10 HA LYS 10 9.810 6.706 -7.126 78 HB2 LYS 10 1HB LYS 10 7.493 8.661 -6.845 79 HB3 LYS 10 2HB LYS 10 7.671 7.437 -8.094 80 HG2 LYS 10 1HG LYS 10 7.398 6.850 -5.131 81 HG3 LYS 10 2HG LYS 10 6.081 6.796 -6.312 82 HD2 LYS 10 1HD LYS 10 7.432 5.091 -7.610 83 HD3 LYS 10 2HD LYS 10 8.571 5.057 -6.255 84 HE2 LYS 10 1HE LYS 10 6.844 3.234 -6.191 85 HE3 LYS 10 2HE LYS 10 6.874 4.248 -4.746 86 HZ1 LYS 10 1HZ LYS 10 4.646 3.853 -5.500 87 HZ2 LYS 10 2HZ LYS 10 4.999 5.459 -5.627 88 HZ3 LYS 10 3HZ LYS 10 4.971 4.511 -6.976 89 H ILE 11 H ILE 11 11.856 8.388 -6.909 90 HA ILE 11 HA ILE 11 11.662 10.716 -8.566 91 HB ILE 11 HB ILE 11 13.597 10.055 -7.003 92 HG12 ILE 11 1HG1 ILE 11 14.220 10.988 -9.815 93 HG13 ILE 11 2HG1 ILE 11 13.650 11.996 -8.494 94 HG21 ILE 11 1HG2 ILE 11 15.404 8.748 -8.048 95 HG22 ILE 11 2HG2 ILE 11 13.925 7.773 -7.880 96 HG23 ILE 11 3HG2 ILE 11 14.370 8.446 -9.466 97 HD11 ILE 11 1HD1 ILE 11 16.050 12.227 -8.800 98 HD12 ILE 11 2HD1 ILE 11 15.689 11.499 -7.217 99 HD13 ILE 11 3HD1 ILE 11 16.267 10.479 -8.556 100 HA PRO 12 HA PRO 12 11.461 8.867 -12.583 101 HB2 PRO 12 1HB PRO 12 12.210 11.038 -14.061 102 HB3 PRO 12 2HB PRO 12 10.620 10.942 -13.295 103 HG2 PRO 12 1HG PRO 12 13.149 12.313 -12.266 104 HG3 PRO 12 2HG PRO 12 11.530 13.002 -12.429 105 HD2 PRO 12 1HD PRO 12 12.374 12.036 -10.046 106 HD3 PRO 12 2HD PRO 12 10.664 11.792 -10.585 107 H ARG 13 H ARG 13 12.956 7.909 -13.953 108 HA ARG 13 HA ARG 13 15.693 7.709 -13.296 109 HB2 ARG 13 1HB ARG 13 14.293 6.252 -14.885 110 HB3 ARG 13 2HB ARG 13 14.605 7.469 -16.113 111 HG2 ARG 13 1HG ARG 13 17.051 6.588 -14.772 112 HG3 ARG 13 2HG ARG 13 16.164 5.266 -15.568 113 HD2 ARG 13 1HD ARG 13 17.034 7.859 -16.823 114 HD3 ARG 13 2HD ARG 13 17.756 6.253 -17.076 115 HE ARG 13 HE ARG 13 15.063 5.988 -17.706 116 HH11 ARG 13 1HH1 ARG 13 17.786 7.899 -18.835 117 HH12 ARG 13 2HH1 ARG 13 17.189 8.007 -20.476 118 HH21 ARG 13 1HH2 ARG 13 14.301 6.135 -19.839 119 HH22 ARG 13 2HH2 ARG 13 15.217 7.009 -21.046 120 H ALA 14 H ALA 14 13.995 9.982 -15.427 121 HA ALA 14 HA ALA 14 16.011 11.368 -16.650 122 HB1 ALA 14 1HB ALA 14 14.683 13.427 -16.312 123 HB2 ALA 14 2HB ALA 14 13.655 12.044 -16.756 124 HB3 ALA 14 3HB ALA 14 13.724 12.595 -15.067 125 H LYS 15 H LYS 15 14.969 12.078 -13.287 126 HA LYS 15 HA LYS 15 17.076 14.035 -12.994 127 HB2 LYS 15 1HB LYS 15 14.751 13.901 -11.806 128 HB3 LYS 15 2HB LYS 15 15.548 12.798 -10.693 129 HG2 LYS 15 1HG LYS 15 15.642 14.931 -9.686 130 HG3 LYS 15 2HG LYS 15 17.274 14.619 -10.293 131 HD2 LYS 15 1HD LYS 15 16.639 15.922 -12.380 132 HD3 LYS 15 2HD LYS 15 15.146 16.382 -11.549 133 HE2 LYS 15 1HE LYS 15 17.942 16.913 -10.483 134 HE3 LYS 15 2HE LYS 15 16.964 18.091 -11.361 135 HZ1 LYS 15 1HZ LYS 15 16.773 18.373 -9.001 136 HZ2 LYS 15 2HZ LYS 15 15.313 17.928 -9.628 137 HZ3 LYS 15 3HZ LYS 15 16.227 16.829 -8.806 138 H ALA 16 H ALA 16 16.659 10.661 -12.022 139 HA ALA 16 HA ALA 16 18.756 10.642 -10.085 140 HB1 ALA 16 1HB ALA 16 18.617 8.180 -10.277 141 HB2 ALA 16 2HB ALA 16 17.005 8.923 -10.152 142 HB3 ALA 16 3HB ALA 16 17.605 8.358 -11.729 143 H GLU 17 H GLU 17 18.724 10.154 -13.572 144 HA GLU 17 HA GLU 17 21.517 9.350 -13.693 145 HB2 GLU 17 1HB GLU 17 19.569 10.357 -15.802 146 HB3 GLU 17 2HB GLU 17 21.222 9.877 -16.162 147 HG2 GLU 17 1HG GLU 17 20.664 7.615 -15.159 148 HG3 GLU 17 2HG GLU 17 18.982 8.140 -15.122 149 H GLU 18 H GLU 18 19.720 12.377 -14.290 150 HA GLU 18 HA GLU 18 21.891 13.950 -15.150 151 HB2 GLU 18 1HB GLU 18 19.527 14.679 -15.249 152 HB3 GLU 18 2HB GLU 18 19.477 14.796 -13.496 153 HG2 GLU 18 1HG GLU 18 21.147 16.580 -13.540 154 HG3 GLU 18 2HG GLU 18 21.277 16.436 -15.291 155 H MET 19 H MET 19 20.827 13.135 -11.867 156 HA MET 19 HA MET 19 22.443 15.096 -10.546 157 HB2 MET 19 1HB MET 19 21.017 12.579 -9.698 158 HB3 MET 19 2HB MET 19 22.126 13.359 -8.579 159 HG2 MET 19 1HG MET 19 20.799 15.488 -8.887 160 HG3 MET 19 2HG MET 19 19.623 14.542 -9.801 161 HE1 MET 19 1HE MET 19 17.816 12.408 -7.248 162 HE2 MET 19 2HE MET 19 17.715 13.291 -8.792 163 HE3 MET 19 3HE MET 19 18.914 11.990 -8.584 164 H LEU 20 H LEU 20 23.136 11.947 -11.852 165 HA LEU 20 HA LEU 20 25.621 11.682 -10.301 166 HB2 LEU 20 1HB LEU 20 24.554 9.977 -12.577 167 HB3 LEU 20 2HB LEU 20 25.886 9.565 -11.495 168 HG LEU 20 HG LEU 20 22.984 9.892 -10.650 169 HD11 LEU 20 1HD1 LEU 20 23.028 7.449 -10.423 170 HD12 LEU 20 2HD1 LEU 20 23.319 7.958 -12.103 171 HD13 LEU 20 3HD1 LEU 20 24.678 7.416 -11.089 172 HD21 LEU 20 1HD2 LEU 20 23.792 8.910 -8.530 173 HD22 LEU 20 2HD2 LEU 20 25.454 8.897 -9.169 174 HD23 LEU 20 3HD2 LEU 20 24.623 10.444 -8.882 175 H SER 21 H SER 21 24.579 12.509 -13.574 176 HA SER 21 HA SER 21 27.265 12.647 -14.651 177 HB2 SER 21 1HB SER 21 26.243 13.619 -16.583 178 HB3 SER 21 2HB SER 21 25.169 12.353 -16.006 179 HG SER 21 HG SER 21 24.342 14.333 -14.720 180 H LYS 22 H LYS 22 25.323 14.719 -12.681 181 HA LYS 22 HA LYS 22 27.162 16.996 -13.120 182 HB2 LYS 22 1HB LYS 22 24.732 16.612 -11.333 183 HB3 LYS 22 2HB LYS 22 25.742 18.050 -11.283 184 HG2 LYS 22 1HG LYS 22 25.228 18.473 -13.677 185 HG3 LYS 22 2HG LYS 22 24.165 17.059 -13.674 186 HD2 LYS 22 1HD LYS 22 22.767 18.085 -11.930 187 HD3 LYS 22 2HD LYS 22 23.851 19.482 -11.864 188 HE2 LYS 22 1HE LYS 22 23.330 20.014 -14.214 189 HE3 LYS 22 2HE LYS 22 22.273 18.603 -14.310 190 HZ1 LYS 22 1HZ LYS 22 21.038 20.603 -13.905 191 HZ2 LYS 22 2HZ LYS 22 20.896 19.589 -12.610 192 HZ3 LYS 22 3HZ LYS 22 21.882 20.908 -12.521 193 H GLN 23 H GLN 23 26.568 14.371 -10.877 194 HA GLN 23 HA GLN 23 28.244 15.323 -8.756 195 HB2 GLN 23 1HB GLN 23 26.598 13.433 -8.568 196 HB3 GLN 23 2HB GLN 23 27.663 12.443 -9.555 197 HG2 GLN 23 1HG GLN 23 28.005 11.865 -7.271 198 HG3 GLN 23 2HG GLN 23 29.451 12.748 -7.833 199 HE21 GLN 23 1HE2 GLN 23 29.315 14.953 -5.175 200 HE22 GLN 23 2HE2 GLN 23 30.241 14.013 -6.297 201 H ARG 24 H ARG 24 28.889 13.541 -11.738 202 HA ARG 24 HA ARG 24 30.865 12.988 -12.780 203 HB2 ARG 24 1HB ARG 24 32.232 14.995 -10.972 204 HB3 ARG 24 2HB ARG 24 32.730 14.468 -12.572 205 HG2 ARG 24 1HG ARG 24 30.326 16.180 -11.899 206 HG3 ARG 24 2HG ARG 24 31.829 16.689 -12.707 207 HD2 ARG 24 1HD ARG 24 29.909 14.636 -13.776 208 HD3 ARG 24 2HD ARG 24 29.940 16.352 -14.241 209 HE ARG 24 HE ARG 24 32.529 15.330 -14.598 210 HH11 ARG 24 1HH1 ARG 24 29.305 14.877 -15.915 211 HH12 ARG 24 2HH1 ARG 24 29.880 14.403 -17.497 212 HH21 ARG 24 1HH2 ARG 24 33.265 14.713 -16.655 213 HH22 ARG 24 2HH2 ARG 24 32.123 14.309 -17.918 214 H HIS 25 H HIS 25 30.046 11.500 -10.449 215 HA HIS 25 HA HIS 25 32.746 10.477 -9.637 216 HB2 HIS 25 1HB HIS 25 31.677 11.440 -7.679 217 HB3 HIS 25 2HB HIS 25 30.181 10.576 -8.012 218 HD2 HIS 25 HD2 HIS 25 30.330 9.024 -5.548 219 HE1 HIS 25 HE1 HIS 25 33.917 7.051 -6.683 220 H ASP 26 H ASP 26 32.860 9.030 -11.339 221 HA ASP 26 HA ASP 26 30.806 7.190 -12.041 222 HB2 ASP 26 1HB ASP 26 33.827 7.095 -12.325 223 HB3 ASP 26 2HB ASP 26 32.792 5.804 -12.917 224 H GLY 27 H GLY 27 30.199 5.226 -11.311 225 HA2 GLY 27 1HA GLY 27 30.487 3.306 -9.810 226 HA3 GLY 27 2HA GLY 27 31.496 4.303 -8.777 227 H ALA 28 H ALA 28 29.730 6.662 -9.011 228 HA ALA 28 HA ALA 28 28.008 6.155 -6.798 229 HB1 ALA 28 1HB ALA 28 27.086 8.400 -7.274 230 HB2 ALA 28 2HB ALA 28 28.865 8.395 -7.323 231 HB3 ALA 28 3HB ALA 28 27.933 8.408 -8.837 232 H PHE 29 H PHE 29 25.729 6.165 -6.646 233 HA PHE 29 HA PHE 29 24.269 5.385 -9.097 234 HB2 PHE 29 1HB PHE 29 23.511 3.261 -8.151 235 HB3 PHE 29 2HB PHE 29 25.263 3.274 -8.267 236 HD1 PHE 29 HD1 PHE 29 22.392 3.256 -6.012 237 HD2 PHE 29 HD2 PHE 29 26.655 3.409 -6.263 238 HE1 PHE 29 HE1 PHE 29 22.553 2.680 -3.613 239 HE2 PHE 29 HE2 PHE 29 26.820 2.829 -3.865 240 HZ PHE 29 HZ PHE 29 24.766 2.468 -2.540 241 H LEU 30 H LEU 30 21.938 5.060 -8.687 242 HA LEU 30 HA LEU 30 21.009 6.309 -6.145 243 HB2 LEU 30 1HB LEU 30 20.971 7.856 -8.234 244 HB3 LEU 30 2HB LEU 30 19.635 6.841 -8.786 245 HG LEU 30 HG LEU 30 19.413 7.977 -6.032 246 HD11 LEU 30 1HD1 LEU 30 18.631 10.131 -6.913 247 HD12 LEU 30 2HD1 LEU 30 20.348 9.853 -7.286 248 HD13 LEU 30 3HD1 LEU 30 19.117 9.636 -8.552 249 HD21 LEU 30 1HD2 LEU 30 17.061 8.178 -6.761 250 HD22 LEU 30 2HD2 LEU 30 17.523 7.656 -8.400 251 HD23 LEU 30 3HD2 LEU 30 17.676 6.529 -7.030 252 H ILE 31 H ILE 31 19.543 5.154 -5.110 253 HA ILE 31 HA ILE 31 18.200 2.955 -6.609 254 HB ILE 31 HB ILE 31 18.807 3.320 -3.650 255 HG12 ILE 31 1HG1 ILE 31 19.578 1.056 -5.490 256 HG13 ILE 31 2HG1 ILE 31 20.574 2.488 -5.289 257 HG21 ILE 31 1HG2 ILE 31 17.667 1.166 -3.303 258 HG22 ILE 31 2HG2 ILE 31 16.535 2.397 -3.910 259 HG23 ILE 31 3HG2 ILE 31 17.167 1.150 -5.010 260 HD11 ILE 31 1HD1 ILE 31 21.339 0.679 -3.857 261 HD12 ILE 31 2HD1 ILE 31 20.748 2.045 -2.879 262 HD13 ILE 31 3HD1 ILE 31 19.740 0.593 -3.082 263 H ARG 32 H ARG 32 16.066 2.888 -6.864 264 HA ARG 32 HA ARG 32 14.371 4.774 -5.333 265 HB2 ARG 32 1HB ARG 32 13.512 5.896 -7.229 266 HB3 ARG 32 2HB ARG 32 15.258 5.930 -7.422 267 HG2 ARG 32 1HG ARG 32 14.987 3.880 -8.927 268 HG3 ARG 32 2HG ARG 32 13.246 4.252 -8.913 269 HD2 ARG 32 1HD ARG 32 13.716 6.478 -9.758 270 HD3 ARG 32 2HD ARG 32 15.455 6.107 -9.771 271 HE ARG 32 HE ARG 32 13.400 5.083 -11.602 272 HH11 ARG 32 1HH1 ARG 32 16.736 5.012 -10.506 273 HH12 ARG 32 2HH1 ARG 32 17.331 4.256 -11.968 274 HH21 ARG 32 1HH2 ARG 32 14.183 4.103 -13.494 275 HH22 ARG 32 2HH2 ARG 32 15.887 3.741 -13.659 276 H GLU 33 H GLU 33 12.102 4.383 -5.551 277 HA GLU 33 HA GLU 33 11.540 1.534 -6.098 278 HB2 GLU 33 1HB GLU 33 10.767 2.626 -3.974 279 HB3 GLU 33 2HB GLU 33 9.737 3.689 -4.924 280 HG2 GLU 33 1HG GLU 33 8.495 1.733 -5.764 281 HG3 GLU 33 2HG GLU 33 9.522 0.673 -4.801 282 H SER 34 H SER 34 10.238 0.760 -7.654 283 HA SER 34 HA SER 34 9.754 2.503 -9.931 284 HB2 SER 34 1HB SER 34 10.447 0.216 -10.309 285 HB3 SER 34 2HB SER 34 9.090 -0.404 -9.381 286 HG SER 34 HG SER 34 9.229 0.380 -11.939 287 H GLU 35 H GLU 35 7.885 3.341 -10.689 288 HA GLU 35 HA GLU 35 5.475 3.142 -9.025 289 HB2 GLU 35 1HB GLU 35 6.048 4.567 -11.654 290 HB3 GLU 35 2HB GLU 35 4.494 4.620 -10.831 291 HG2 GLU 35 1HG GLU 35 5.621 5.619 -8.848 292 HG3 GLU 35 2HG GLU 35 7.130 5.645 -9.757 293 H SER 36 H SER 36 6.868 1.462 -11.660 294 HA SER 36 HA SER 36 4.258 0.506 -12.668 295 HB2 SER 36 1HB SER 36 5.545 -0.590 -14.400 296 HB3 SER 36 2HB SER 36 6.081 1.076 -14.250 297 HG SER 36 HG SER 36 7.568 -0.102 -12.602 298 H ALA 37 H ALA 37 6.869 -0.491 -10.584 299 HA ALA 37 HA ALA 37 5.195 -2.840 -9.887 300 HB1 ALA 37 1HB ALA 37 7.216 -4.235 -9.597 301 HB2 ALA 37 2HB ALA 37 7.013 -3.712 -11.286 302 HB3 ALA 37 3HB ALA 37 8.213 -2.912 -10.244 303 HA PRO 38 HA PRO 38 6.131 -0.056 -6.345 304 HB2 PRO 38 1HB PRO 38 3.526 -1.443 -5.580 305 HB3 PRO 38 2HB PRO 38 4.020 0.229 -5.281 306 HG2 PRO 38 1HG PRO 38 2.341 -0.238 -7.286 307 HG3 PRO 38 2HG PRO 38 3.681 0.884 -7.547 308 HD2 PRO 38 1HD PRO 38 3.418 -2.024 -8.397 309 HD3 PRO 38 2HD PRO 38 4.103 -0.624 -9.315 310 H GLY 39 H GLY 39 7.163 -0.674 -4.492 311 HA2 GLY 39 1HA GLY 39 7.654 -2.144 -2.662 312 HA3 GLY 39 2HA GLY 39 6.885 -3.467 -3.518 313 H ASP 40 H ASP 40 8.373 -2.498 -6.039 314 HA ASP 40 HA ASP 40 10.962 -3.823 -5.367 315 HB2 ASP 40 1HB ASP 40 9.409 -3.635 -7.975 316 HB3 ASP 40 2HB ASP 40 11.067 -4.214 -7.887 317 H PHE 41 H PHE 41 12.876 -3.104 -6.553 318 HA PHE 41 HA PHE 41 12.790 -0.123 -6.771 319 HB2 PHE 41 1HB PHE 41 14.678 -1.940 -5.260 320 HB3 PHE 41 2HB PHE 41 15.215 -0.359 -5.807 321 HD1 PHE 41 HD1 PHE 41 12.665 -2.081 -3.732 322 HD2 PHE 41 HD2 PHE 41 14.640 1.597 -4.639 323 HE1 PHE 41 HE1 PHE 41 11.646 -1.043 -1.734 324 HE2 PHE 41 HE2 PHE 41 13.625 2.638 -2.640 325 HZ PHE 41 HZ PHE 41 12.127 1.317 -1.187 326 H SER 42 H SER 42 14.287 0.878 -8.169 327 HA SER 42 HA SER 42 15.930 -0.995 -9.821 328 HB2 SER 42 1HB SER 42 14.964 1.820 -10.422 329 HB3 SER 42 2HB SER 42 16.085 0.917 -11.430 330 HG SER 42 HG SER 42 14.457 0.022 -12.263 331 H LEU 43 H LEU 43 18.102 -0.506 -10.214 332 HA LEU 43 HA LEU 43 19.254 1.580 -8.409 333 HB2 LEU 43 1HB LEU 43 19.689 -0.956 -7.926 334 HB3 LEU 43 2HB LEU 43 20.782 -0.862 -9.311 335 HG LEU 43 HG LEU 43 21.120 1.165 -7.131 336 HD11 LEU 43 1HD1 LEU 43 22.477 -0.415 -5.832 337 HD12 LEU 43 2HD1 LEU 43 20.771 -0.916 -5.902 338 HD13 LEU 43 3HD1 LEU 43 21.981 -1.734 -6.918 339 HD21 LEU 43 1HD2 LEU 43 23.487 0.831 -7.762 340 HD22 LEU 43 2HD2 LEU 43 23.006 -0.471 -8.877 341 HD23 LEU 43 3HD2 LEU 43 22.491 1.204 -9.189 342 H SER 44 H SER 44 19.896 3.252 -9.563 343 HA SER 44 HA SER 44 20.865 2.782 -12.335 344 HB2 SER 44 1HB SER 44 19.786 5.184 -10.862 345 HB3 SER 44 2HB SER 44 20.707 5.380 -12.345 346 HG SER 44 HG SER 44 19.234 4.273 -13.444 347 H VAL 45 H VAL 45 22.970 2.514 -12.556 348 HA VAL 45 HA VAL 45 24.756 3.857 -10.575 349 HB VAL 45 HB VAL 45 24.768 1.362 -10.547 350 HG11 VAL 45 1HG1 VAL 45 25.709 0.128 -12.437 351 HG12 VAL 45 2HG1 VAL 45 24.197 0.959 -12.872 352 HG13 VAL 45 3HG1 VAL 45 25.762 1.630 -13.391 353 HG21 VAL 45 1HG2 VAL 45 27.222 1.104 -10.730 354 HG22 VAL 45 2HG2 VAL 45 27.314 2.639 -11.627 355 HG23 VAL 45 3HG2 VAL 45 26.794 2.631 -9.924 356 H LYS 46 H LYS 46 26.027 5.422 -11.270 357 HA LYS 46 HA LYS 46 26.378 5.797 -14.183 358 HB2 LYS 46 1HB LYS 46 25.707 7.717 -12.716 359 HB3 LYS 46 2HB LYS 46 27.242 7.578 -11.869 360 HG2 LYS 46 1HG LYS 46 27.458 7.839 -14.812 361 HG3 LYS 46 2HG LYS 46 26.786 9.239 -13.965 362 HD2 LYS 46 1HD LYS 46 28.826 8.846 -12.325 363 HD3 LYS 46 2HD LYS 46 29.510 7.988 -13.714 364 HE2 LYS 46 1HE LYS 46 29.109 10.021 -15.115 365 HE3 LYS 46 2HE LYS 46 28.538 10.869 -13.676 366 HZ1 LYS 46 1HZ LYS 46 30.835 11.334 -14.120 367 HZ2 LYS 46 2HZ LYS 46 30.698 10.527 -12.688 368 HZ3 LYS 46 3HZ LYS 46 31.232 9.736 -14.033 369 H PHE 47 H PHE 47 27.788 4.097 -14.662 370 HA PHE 47 HA PHE 47 30.594 4.806 -13.916 371 HB2 PHE 47 1HB PHE 47 29.609 2.545 -13.013 372 HB3 PHE 47 2HB PHE 47 29.792 1.991 -14.671 373 HD1 PHE 47 HD1 PHE 47 32.009 1.769 -15.683 374 HD2 PHE 47 HD2 PHE 47 31.525 2.960 -11.609 375 HE1 PHE 47 HE1 PHE 47 34.390 1.261 -15.254 376 HE2 PHE 47 HE2 PHE 47 33.906 2.456 -11.176 377 HZ PHE 47 HZ PHE 47 35.338 1.604 -13.000 378 H GLY 48 H GLY 48 31.810 5.402 -15.557 379 HA2 GLY 48 1HA GLY 48 32.811 5.085 -17.698 380 HA3 GLY 48 2HA GLY 48 31.434 4.124 -18.203 381 H ASN 49 H ASN 49 31.259 7.291 -16.611 382 HA ASN 49 HA ASN 49 30.224 9.244 -17.255 383 HB2 ASN 49 1HB ASN 49 32.205 9.014 -18.950 384 HB3 ASN 49 2HB ASN 49 30.944 8.643 -20.120 385 HD21 ASN 49 1HD2 ASN 49 30.726 12.048 -20.750 386 HD22 ASN 49 2HD2 ASN 49 31.095 10.460 -21.336 387 H ASP 50 H ASP 50 28.781 6.620 -17.371 388 HA ASP 50 HA ASP 50 26.324 7.868 -18.326 389 HB2 ASP 50 1HB ASP 50 27.532 6.524 -20.295 390 HB3 ASP 50 2HB ASP 50 26.813 5.138 -19.487 391 H VAL 51 H VAL 51 24.426 6.277 -18.015 392 HA VAL 51 HA VAL 51 24.910 5.024 -15.345 393 HB VAL 51 HB VAL 51 22.397 6.383 -16.410 394 HG11 VAL 51 1HG1 VAL 51 21.533 6.111 -14.138 395 HG12 VAL 51 2HG1 VAL 51 21.862 4.545 -14.917 396 HG13 VAL 51 3HG1 VAL 51 22.988 5.187 -13.696 397 HG21 VAL 51 1HG2 VAL 51 22.909 8.097 -14.700 398 HG22 VAL 51 2HG2 VAL 51 24.408 7.231 -14.284 399 HG23 VAL 51 3HG2 VAL 51 24.222 7.966 -15.894 400 H GLN 52 H GLN 52 24.658 2.902 -15.263 401 HA GLN 52 HA GLN 52 22.832 1.575 -17.184 402 HB2 GLN 52 1HB GLN 52 24.738 0.456 -15.091 403 HB3 GLN 52 2HB GLN 52 23.704 -0.532 -16.112 404 HG2 GLN 52 1HG GLN 52 25.809 1.374 -17.153 405 HG3 GLN 52 2HG GLN 52 26.037 -0.380 -16.905 406 HE21 GLN 52 1HE2 GLN 52 23.829 -1.305 -19.605 407 HE22 GLN 52 2HE2 GLN 52 24.211 -1.741 -17.972 408 H HIS 53 H HIS 53 21.062 0.352 -16.592 409 HA HIS 53 HA HIS 53 19.983 0.984 -13.871 410 HB2 HIS 53 1HB HIS 53 18.517 1.863 -15.536 411 HB3 HIS 53 2HB HIS 53 18.626 0.408 -16.516 412 HD2 HIS 53 HD2 HIS 53 15.805 1.822 -14.680 413 HE1 HIS 53 HE1 HIS 53 15.838 -2.233 -13.414 414 H PHE 54 H PHE 54 20.042 -0.568 -12.439 415 HA PHE 54 HA PHE 54 19.869 -3.387 -13.402 416 HB2 PHE 54 1HB PHE 54 20.659 -2.398 -10.636 417 HB3 PHE 54 2HB PHE 54 20.798 -4.036 -11.254 418 HD1 PHE 54 HD1 PHE 54 21.775 -3.011 -14.078 419 HD2 PHE 54 HD2 PHE 54 23.000 -2.299 -10.047 420 HE1 PHE 54 HE1 PHE 54 24.067 -2.523 -14.863 421 HE2 PHE 54 HE2 PHE 54 25.293 -1.808 -10.830 422 HZ PHE 54 HZ PHE 54 25.826 -1.922 -13.239 423 H LYS 55 H LYS 55 18.356 -4.808 -12.597 424 HA LYS 55 HA LYS 55 16.016 -3.601 -11.266 425 HB2 LYS 55 1HB LYS 55 16.474 -6.473 -12.163 426 HB3 LYS 55 2HB LYS 55 14.947 -5.776 -11.641 427 HG2 LYS 55 1HG LYS 55 14.931 -4.285 -13.587 428 HG3 LYS 55 2HG LYS 55 16.501 -4.916 -14.099 429 HD2 LYS 55 1HD LYS 55 15.499 -7.193 -14.279 430 HD3 LYS 55 2HD LYS 55 13.926 -6.512 -13.838 431 HE2 LYS 55 1HE LYS 55 15.553 -5.580 -16.228 432 HE3 LYS 55 2HE LYS 55 14.300 -6.820 -16.318 433 HZ1 LYS 55 1HZ LYS 55 13.452 -4.666 -16.893 434 HZ2 LYS 55 2HZ LYS 55 12.721 -5.202 -15.515 435 HZ3 LYS 55 3HZ LYS 55 13.891 -4.043 -15.432 436 H VAL 56 H VAL 56 15.674 -3.602 -9.173 437 HA VAL 56 HA VAL 56 17.172 -5.576 -7.508 438 HB VAL 56 HB VAL 56 15.863 -2.933 -6.736 439 HG11 VAL 56 1HG1 VAL 56 16.877 -3.288 -4.536 440 HG12 VAL 56 2HG1 VAL 56 15.686 -4.551 -4.933 441 HG13 VAL 56 3HG1 VAL 56 17.428 -4.899 -5.052 442 HG21 VAL 56 1HG2 VAL 56 18.196 -2.209 -6.339 443 HG22 VAL 56 2HG2 VAL 56 18.782 -3.788 -6.916 444 HG23 VAL 56 3HG2 VAL 56 17.949 -2.684 -8.036 445 H LEU 57 H LEU 57 16.067 -7.193 -6.551 446 HA LEU 57 HA LEU 57 13.117 -7.104 -7.019 447 HB2 LEU 57 1HB LEU 57 14.815 -9.569 -7.438 448 HB3 LEU 57 2HB LEU 57 13.174 -9.249 -8.011 449 HG LEU 57 HG LEU 57 14.493 -7.298 -9.345 450 HD11 LEU 57 1HD1 LEU 57 16.625 -8.203 -10.157 451 HD12 LEU 57 2HD1 LEU 57 16.661 -7.909 -8.403 452 HD13 LEU 57 3HD1 LEU 57 16.478 -9.567 -9.024 453 HD21 LEU 57 1HD2 LEU 57 14.469 -8.856 -11.264 454 HD22 LEU 57 2HD2 LEU 57 14.290 -10.230 -10.146 455 HD23 LEU 57 3HD2 LEU 57 12.991 -9.022 -10.285 456 H ARG 58 H ARG 58 11.796 -8.189 -5.617 457 HA ARG 58 HA ARG 58 12.964 -8.831 -3.006 458 HB2 ARG 58 1HB ARG 58 10.118 -8.833 -4.055 459 HB3 ARG 58 2HB ARG 58 10.541 -9.308 -2.418 460 HG2 ARG 58 1HG ARG 58 11.317 -7.108 -1.886 461 HG3 ARG 58 2HG ARG 58 11.199 -6.596 -3.587 462 HD2 ARG 58 1HD ARG 58 8.847 -7.559 -1.990 463 HD3 ARG 58 2HD ARG 58 9.351 -5.855 -2.067 464 HE ARG 58 HE ARG 58 9.171 -6.636 -4.698 465 HH11 ARG 58 1HH1 ARG 58 6.990 -6.643 -1.944 466 HH12 ARG 58 2HH1 ARG 58 5.553 -6.439 -2.922 467 HH21 ARG 58 1HH2 ARG 58 7.299 -6.372 -5.957 468 HH22 ARG 58 2HH2 ARG 58 5.728 -6.287 -5.194 469 H ASP 59 H ASP 59 13.262 -10.790 -2.120 470 HA ASP 59 HA ASP 59 12.671 -13.170 -3.771 471 HB2 ASP 59 1HB ASP 59 14.031 -14.396 -2.185 472 HB3 ASP 59 2HB ASP 59 14.890 -12.933 -2.643 473 H GLY 60 H GLY 60 12.308 -15.086 -1.818 474 HA2 GLY 60 1HA GLY 60 9.451 -14.941 -1.629 475 HA3 GLY 60 2HA GLY 60 10.466 -16.191 -0.936 476 H ALA 61 H ALA 61 11.974 -13.793 0.410 477 HA ALA 61 HA ALA 61 10.343 -13.907 2.857 478 HB1 ALA 61 1HB ALA 61 12.304 -12.841 3.922 479 HB2 ALA 61 2HB ALA 61 12.760 -14.304 3.017 480 HB3 ALA 61 3HB ALA 61 13.081 -12.696 2.328 481 H GLY 62 H GLY 62 10.413 -11.946 0.180 482 HA2 GLY 62 1HA GLY 62 9.637 -9.758 -0.176 483 HA3 GLY 62 2HA GLY 62 9.367 -9.579 1.548 484 H LYS 63 H LYS 63 12.462 -10.794 0.582 485 HA LYS 63 HA LYS 63 13.659 -8.215 1.474 486 HB2 LYS 63 1HB LYS 63 14.701 -11.070 1.512 487 HB3 LYS 63 2HB LYS 63 15.724 -9.677 1.839 488 HG2 LYS 63 1HG LYS 63 14.418 -9.092 3.789 489 HG3 LYS 63 2HG LYS 63 13.221 -10.339 3.415 490 HD2 LYS 63 1HD LYS 63 15.093 -12.049 3.602 491 HD3 LYS 63 2HD LYS 63 16.119 -10.748 4.222 492 HE2 LYS 63 1HE LYS 63 13.432 -11.370 5.467 493 HE3 LYS 63 2HE LYS 63 14.893 -12.243 5.936 494 HZ1 LYS 63 1HZ LYS 63 14.486 -10.376 7.363 495 HZ2 LYS 63 2HZ LYS 63 15.890 -10.143 6.528 496 HZ3 LYS 63 3HZ LYS 63 14.524 -9.326 6.092 497 H TYR 64 H TYR 64 15.637 -7.472 0.462 498 HA TYR 64 HA TYR 64 15.018 -7.571 -2.434 499 HB2 TYR 64 1HB TYR 64 16.489 -5.537 -0.714 500 HB3 TYR 64 2HB TYR 64 16.359 -5.414 -2.463 501 HD1 TYR 64 HD1 TYR 64 14.761 -4.795 0.692 502 HD2 TYR 64 HD2 TYR 64 14.048 -5.267 -3.511 503 HE1 TYR 64 HE1 TYR 64 12.585 -3.650 0.933 504 HE2 TYR 64 HE2 TYR 64 11.872 -4.121 -3.272 505 HH TYR 64 HH TYR 64 10.386 -3.275 -1.841 506 H PHE 65 H PHE 65 16.381 -8.203 -3.979 507 HA PHE 65 HA PHE 65 19.282 -8.178 -3.364 508 HB2 PHE 65 1HB PHE 65 19.659 -10.372 -4.304 509 HB3 PHE 65 2HB PHE 65 18.472 -10.522 -3.018 510 HD1 PHE 65 HD1 PHE 65 19.098 -10.835 -6.586 511 HD2 PHE 65 HD2 PHE 65 16.095 -10.914 -3.547 512 HE1 PHE 65 HE1 PHE 65 17.548 -11.959 -8.149 513 HE2 PHE 65 HE2 PHE 65 14.543 -12.041 -5.107 514 HZ PHE 65 HZ PHE 65 15.270 -12.562 -7.410 515 H LEU 66 H LEU 66 20.563 -8.613 -5.441 516 HA LEU 66 HA LEU 66 19.155 -7.445 -7.787 517 HB2 LEU 66 1HB LEU 66 20.399 -5.690 -6.391 518 HB3 LEU 66 2HB LEU 66 21.890 -6.498 -6.887 519 HG LEU 66 HG LEU 66 19.880 -5.314 -8.832 520 HD11 LEU 66 1HD1 LEU 66 21.472 -3.457 -9.038 521 HD12 LEU 66 2HD1 LEU 66 20.810 -3.575 -7.391 522 HD13 LEU 66 3HD1 LEU 66 22.458 -4.157 -7.732 523 HD21 LEU 66 1HD2 LEU 66 21.767 -5.537 -10.411 524 HD22 LEU 66 2HD2 LEU 66 22.759 -6.266 -9.124 525 HD23 LEU 66 3HD2 LEU 66 21.316 -7.117 -9.727 526 H TRP 67 H TRP 67 22.370 -8.643 -6.701 527 HA TRP 67 HA TRP 67 22.938 -9.323 -9.513 528 HB2 TRP 67 1HB TRP 67 24.667 -9.272 -7.011 529 HB3 TRP 67 2HB TRP 67 25.256 -9.790 -8.584 530 HD1 TRP 67 HD1 TRP 67 24.672 -6.716 -6.520 531 HE1 TRP 67 HE1 TRP 67 25.263 -4.594 -7.874 532 HE3 TRP 67 HE3 TRP 67 25.116 -8.845 -11.164 533 HZ2 TRP 67 HZ2 TRP 67 25.840 -3.938 -10.559 534 HZ3 TRP 67 HZ3 TRP 67 25.689 -7.414 -13.085 535 HH2 TRP 67 HH2 TRP 67 26.050 -4.999 -12.793 536 H VAL 68 H VAL 68 24.604 -11.133 -7.111 537 HA VAL 68 HA VAL 68 22.960 -13.544 -7.715 538 HB VAL 68 HB VAL 68 25.023 -14.859 -8.070 539 HG11 VAL 68 1HG1 VAL 68 25.618 -13.981 -10.276 540 HG12 VAL 68 2HG1 VAL 68 23.861 -13.956 -10.001 541 HG13 VAL 68 3HG1 VAL 68 24.802 -12.450 -9.886 542 HG21 VAL 68 1HG2 VAL 68 27.181 -13.685 -8.371 543 HG22 VAL 68 2HG2 VAL 68 26.407 -12.149 -7.917 544 HG23 VAL 68 3HG2 VAL 68 26.550 -13.461 -6.722 545 H VAL 69 H VAL 69 24.552 -11.575 -5.483 546 HA VAL 69 HA VAL 69 24.622 -13.793 -3.479 547 HB VAL 69 HB VAL 69 26.884 -12.944 -4.006 548 HG11 VAL 69 1HG1 VAL 69 27.505 -10.634 -3.488 549 HG12 VAL 69 2HG1 VAL 69 26.283 -10.723 -4.778 550 HG13 VAL 69 3HG1 VAL 69 25.804 -10.259 -3.128 551 HG21 VAL 69 1HG2 VAL 69 27.552 -12.352 -1.698 552 HG22 VAL 69 2HG2 VAL 69 25.849 -12.035 -1.288 553 HG23 VAL 69 3HG2 VAL 69 26.372 -13.685 -1.705 554 H LYS 70 H LYS 70 23.594 -13.516 -1.578 555 HA LYS 70 HA LYS 70 21.930 -11.045 -1.404 556 HB2 LYS 70 1HB LYS 70 20.615 -13.084 -1.667 557 HB3 LYS 70 2HB LYS 70 21.465 -13.856 -0.336 558 HG2 LYS 70 1HG LYS 70 19.424 -13.211 0.592 559 HG3 LYS 70 2HG LYS 70 20.540 -11.949 1.133 560 HD2 LYS 70 1HD LYS 70 19.776 -10.453 -0.643 561 HD3 LYS 70 2HD LYS 70 18.739 -11.724 -1.307 562 HE2 LYS 70 1HE LYS 70 18.466 -10.420 1.426 563 HE3 LYS 70 2HE LYS 70 17.413 -10.164 0.031 564 HZ1 LYS 70 1HZ LYS 70 16.468 -11.716 1.576 565 HZ2 LYS 70 2HZ LYS 70 16.791 -12.479 0.149 566 HZ3 LYS 70 3HZ LYS 70 17.772 -12.718 1.453 567 H PHE 71 H PHE 71 22.079 -9.707 0.259 568 HA PHE 71 HA PHE 71 23.427 -10.723 2.727 569 HB2 PHE 71 1HB PHE 71 23.555 -7.965 1.456 570 HB3 PHE 71 2HB PHE 71 24.058 -8.281 3.109 571 HD1 PHE 71 HD1 PHE 71 24.750 -9.097 -0.435 572 HD2 PHE 71 HD2 PHE 71 26.157 -9.256 3.596 573 HE1 PHE 71 HE1 PHE 71 26.990 -9.759 -1.245 574 HE2 PHE 71 HE2 PHE 71 28.399 -9.915 2.789 575 HZ PHE 71 HZ PHE 71 28.814 -10.168 0.367 576 H ASN 72 H ASN 72 22.913 -8.716 4.461 577 HA ASN 72 HA ASN 72 20.287 -9.517 5.272 578 HB2 ASN 72 1HB ASN 72 22.231 -7.439 6.302 579 HB3 ASN 72 2HB ASN 72 20.652 -7.682 7.038 580 HD21 ASN 72 1HD2 ASN 72 23.711 -10.200 7.785 581 HD22 ASN 72 2HD2 ASN 72 23.861 -8.818 6.751 582 H SER 73 H SER 73 21.433 -6.875 3.355 583 HA SER 73 HA SER 73 18.673 -6.010 2.894 584 HB2 SER 73 1HB SER 73 18.966 -3.724 3.583 585 HB3 SER 73 2HB SER 73 19.350 -4.760 4.948 586 HG SER 73 HG SER 73 21.281 -4.082 4.919 587 H LEU 74 H LEU 74 18.478 -4.489 1.133 588 HA LEU 74 HA LEU 74 20.231 -4.744 -1.039 589 HB2 LEU 74 1HB LEU 74 18.001 -3.804 -1.271 590 HB3 LEU 74 2HB LEU 74 18.431 -2.424 -0.255 591 HG LEU 74 HG LEU 74 20.051 -1.686 -2.007 592 HD11 LEU 74 1HD1 LEU 74 19.936 -2.732 -4.224 593 HD12 LEU 74 2HD1 LEU 74 20.511 -3.875 -2.987 594 HD13 LEU 74 3HD1 LEU 74 18.836 -3.974 -3.582 595 HD21 LEU 74 1HD2 LEU 74 18.312 -0.926 -3.591 596 HD22 LEU 74 2HD2 LEU 74 17.187 -2.142 -2.940 597 HD23 LEU 74 3HD2 LEU 74 17.743 -0.803 -1.909 598 H ASN 75 H ASN 75 20.190 -2.244 1.510 599 HA ASN 75 HA ASN 75 22.289 -0.658 0.439 600 HB2 ASN 75 1HB ASN 75 21.290 -1.070 3.268 601 HB3 ASN 75 2HB ASN 75 22.577 0.063 2.878 602 HD21 ASN 75 1HD2 ASN 75 19.288 1.808 2.907 603 HD22 ASN 75 2HD2 ASN 75 20.152 0.813 4.031 604 H GLU 76 H GLU 76 22.352 -3.614 2.327 605 HA GLU 76 HA GLU 76 25.142 -3.368 3.071 606 HB2 GLU 76 1HB GLU 76 23.420 -4.733 4.319 607 HB3 GLU 76 2HB GLU 76 23.414 -5.873 2.981 608 HG2 GLU 76 1HG GLU 76 25.613 -6.580 3.410 609 HG3 GLU 76 2HG GLU 76 25.966 -5.177 4.417 610 H LEU 77 H LEU 77 23.359 -5.057 0.497 611 HA LEU 77 HA LEU 77 25.681 -6.597 -0.309 612 HB2 LEU 77 1HB LEU 77 24.281 -7.567 -1.930 613 HB3 LEU 77 2HB LEU 77 23.213 -7.242 -0.561 614 HG LEU 77 HG LEU 77 22.736 -4.996 -1.922 615 HD11 LEU 77 1HD1 LEU 77 22.757 -5.428 -4.338 616 HD12 LEU 77 2HD1 LEU 77 24.398 -5.451 -3.651 617 HD13 LEU 77 3HD1 LEU 77 23.581 -6.980 -4.053 618 HD21 LEU 77 1HD2 LEU 77 20.814 -6.173 -2.936 619 HD22 LEU 77 2HD2 LEU 77 21.609 -7.737 -2.630 620 HD23 LEU 77 3HD2 LEU 77 21.091 -6.721 -1.265 621 H VAL 78 H VAL 78 24.208 -3.558 -1.276 622 HA VAL 78 HA VAL 78 25.872 -3.234 -3.637 623 HB VAL 78 HB VAL 78 25.048 -0.921 -3.633 624 HG11 VAL 78 1HG1 VAL 78 22.646 -1.364 -3.763 625 HG12 VAL 78 2HG1 VAL 78 23.602 -2.645 -4.542 626 HG13 VAL 78 3HG1 VAL 78 22.887 -2.919 -2.935 627 HG21 VAL 78 1HG2 VAL 78 23.566 -0.133 -1.815 628 HG22 VAL 78 2HG2 VAL 78 23.844 -1.651 -0.930 629 HG23 VAL 78 3HG2 VAL 78 25.190 -0.518 -1.199 630 H ASP 79 H ASP 79 26.166 -2.545 -0.206 631 HA ASP 79 HA ASP 79 28.596 -0.997 -0.435 632 HB2 ASP 79 1HB ASP 79 27.091 -1.119 1.607 633 HB3 ASP 79 2HB ASP 79 27.708 -2.741 1.895 634 H TYR 80 H TYR 80 27.902 -4.468 0.074 635 HA TYR 80 HA TYR 80 30.552 -5.429 -0.071 636 HB2 TYR 80 1HB TYR 80 28.733 -6.943 0.421 637 HB3 TYR 80 2HB TYR 80 27.944 -6.593 -1.111 638 HD1 TYR 80 HD1 TYR 80 31.050 -8.059 0.345 639 HD2 TYR 80 HD2 TYR 80 28.370 -7.889 -3.001 640 HE1 TYR 80 HE1 TYR 80 32.234 -9.961 -0.700 641 HE2 TYR 80 HE2 TYR 80 29.555 -9.790 -4.046 642 HH TYR 80 HH TYR 80 31.232 -11.228 -3.880 643 H HIS 81 H HIS 81 28.281 -4.667 -2.718 644 HA HIS 81 HA HIS 81 30.355 -5.155 -4.743 645 HB2 HIS 81 1HB HIS 81 27.543 -4.017 -4.949 646 HB3 HIS 81 2HB HIS 81 28.603 -4.311 -6.321 647 HD2 HIS 81 HD2 HIS 81 29.157 -7.250 -6.783 648 HE1 HIS 81 HE1 HIS 81 25.752 -8.324 -4.479 649 H ARG 82 H ARG 82 30.040 -2.772 -2.551 650 HA ARG 82 HA ARG 82 31.030 -0.659 -4.360 651 HB2 ARG 82 1HB ARG 82 29.654 -0.047 -2.400 652 HB3 ARG 82 2HB ARG 82 30.849 -0.762 -1.328 653 HG2 ARG 82 1HG ARG 82 32.484 0.907 -1.927 654 HG3 ARG 82 2HG ARG 82 31.407 1.567 -3.181 655 HD2 ARG 82 1HD ARG 82 31.307 2.957 -1.254 656 HD3 ARG 82 2HD ARG 82 29.765 2.086 -1.414 657 HE ARG 82 HE ARG 82 30.201 0.956 0.546 658 HH11 ARG 82 1HH1 ARG 82 33.085 2.671 -0.495 659 HH12 ARG 82 2HH1 ARG 82 33.938 2.406 1.010 660 HH21 ARG 82 1HH2 ARG 82 31.318 0.618 2.494 661 HH22 ARG 82 2HH2 ARG 82 32.938 1.243 2.702 662 H SER 83 H SER 83 32.253 -2.728 -1.714 663 HA SER 83 HA SER 83 34.977 -1.755 -2.049 664 HB2 SER 83 1HB SER 83 35.547 -3.341 -0.332 665 HB3 SER 83 2HB SER 83 34.042 -2.558 0.122 666 HG SER 83 HG SER 83 33.449 -4.633 -1.366 667 H THR 84 H THR 84 33.024 -4.246 -3.449 668 HA THR 84 HA THR 84 35.425 -5.163 -4.962 669 HB THR 84 HB THR 84 33.202 -6.962 -3.900 670 HG1 THR 84 HG1 THR 84 35.718 -6.255 -2.992 671 HG21 THR 84 1HG2 THR 84 34.529 -8.784 -4.894 672 HG22 THR 84 2HG2 THR 84 33.993 -7.634 -6.142 673 HG23 THR 84 3HG2 THR 84 35.673 -7.596 -5.558 674 H SER 85 H SER 85 35.159 -5.542 -7.106 675 HA SER 85 HA SER 85 33.094 -4.116 -8.434 676 HB2 SER 85 1HB SER 85 34.018 -4.981 -10.464 677 HB3 SER 85 2HB SER 85 35.357 -4.695 -9.363 678 HG SER 85 HG SER 85 34.719 -6.893 -10.571 679 H VAL 86 H VAL 86 31.481 -4.912 -9.920 680 HA VAL 86 HA VAL 86 29.890 -7.007 -8.660 681 HB VAL 86 HB VAL 86 28.187 -6.417 -10.301 682 HG11 VAL 86 1HG1 VAL 86 27.937 -4.029 -9.832 683 HG12 VAL 86 2HG1 VAL 86 28.436 -4.943 -8.389 684 HG13 VAL 86 3HG1 VAL 86 29.626 -3.962 -9.277 685 HG21 VAL 86 1HG2 VAL 86 28.660 -4.770 -12.087 686 HG22 VAL 86 2HG2 VAL 86 30.371 -4.735 -11.598 687 HG23 VAL 86 3HG2 VAL 86 29.667 -6.226 -12.270 688 H SER 87 H SER 87 32.355 -6.972 -10.970 689 HA SER 87 HA SER 87 31.897 -9.683 -11.842 690 HB2 SER 87 1HB SER 87 30.149 -8.648 -13.188 691 HB3 SER 87 2HB SER 87 31.275 -7.441 -13.791 692 HG SER 87 HG SER 87 30.793 -9.875 -14.678 693 H ARG 88 H ARG 88 33.409 -10.240 -13.725 694 HA ARG 88 HA ARG 88 35.912 -8.658 -13.478 695 HB2 ARG 88 1HB ARG 88 35.370 -11.381 -14.710 696 HB3 ARG 88 2HB ARG 88 36.937 -10.583 -14.706 697 HG2 ARG 88 1HG ARG 88 36.963 -10.640 -12.244 698 HG3 ARG 88 2HG ARG 88 35.385 -11.463 -12.259 699 HD2 ARG 88 1HD ARG 88 36.356 -13.300 -13.513 700 HD3 ARG 88 2HD ARG 88 37.933 -12.478 -13.498 701 HE ARG 88 HE ARG 88 37.020 -12.714 -10.838 702 HH11 ARG 88 1HH1 ARG 88 38.131 -14.739 -13.486 703 HH12 ARG 88 2HH1 ARG 88 38.775 -15.978 -12.432 704 HH21 ARG 88 1HH2 ARG 88 37.860 -14.330 -9.482 705 HH22 ARG 88 2HH2 ARG 88 38.622 -15.748 -10.166 706 H ASN 89 H ASN 89 33.211 -9.036 -15.498 707 HA ASN 89 HA ASN 89 34.730 -7.858 -17.789 708 HB2 ASN 89 1HB ASN 89 32.280 -9.651 -17.844 709 HB3 ASN 89 2HB ASN 89 32.956 -8.840 -19.249 710 HD21 ASN 89 1HD2 ASN 89 34.474 -12.319 -17.949 711 HD22 ASN 89 2HD2 ASN 89 33.059 -11.581 -17.277 712 H GLN 90 H GLN 90 31.751 -7.815 -15.887 713 HA GLN 90 HA GLN 90 30.843 -5.390 -17.309 714 HB2 GLN 90 1HB GLN 90 29.575 -6.923 -15.004 715 HB3 GLN 90 2HB GLN 90 28.834 -5.587 -15.874 716 HG2 GLN 90 1HG GLN 90 28.813 -6.899 -17.930 717 HG3 GLN 90 2HG GLN 90 29.617 -8.250 -17.081 718 HE21 GLN 90 1HE2 GLN 90 26.334 -9.505 -16.795 719 HE22 GLN 90 2HE2 GLN 90 27.820 -9.586 -17.682 720 H GLN 91 H GLN 91 32.364 -3.833 -16.733 721 HA GLN 91 HA GLN 91 33.382 -3.788 -14.010 722 HB2 GLN 91 1HB GLN 91 33.860 -1.924 -16.371 723 HB3 GLN 91 2HB GLN 91 34.720 -1.834 -14.841 724 HG2 GLN 91 1HG GLN 91 34.709 -4.300 -16.584 725 HG3 GLN 91 2HG GLN 91 35.926 -2.999 -16.702 726 HE21 GLN 91 1HE2 GLN 91 36.390 -5.950 -14.054 727 HE22 GLN 91 2HE2 GLN 91 35.285 -5.980 -15.389 728 H ILE 92 H ILE 92 31.223 -3.443 -13.026 729 HA ILE 92 HA ILE 92 30.764 -0.498 -12.803 730 HB ILE 92 HB ILE 92 28.833 -2.710 -11.992 731 HG12 ILE 92 1HG1 ILE 92 29.357 -2.592 -14.476 732 HG13 ILE 92 2HG1 ILE 92 27.671 -2.459 -14.003 733 HG21 ILE 92 1HG2 ILE 92 27.208 -0.860 -11.925 734 HG22 ILE 92 2HG2 ILE 92 28.557 -0.566 -10.803 735 HG23 ILE 92 3HG2 ILE 92 28.493 0.290 -12.361 736 HD11 ILE 92 1HD1 ILE 92 28.218 -0.866 -15.756 737 HD12 ILE 92 2HD1 ILE 92 27.780 -0.017 -14.254 738 HD13 ILE 92 3HD1 ILE 92 29.489 -0.151 -14.735 739 H PHE 93 H PHE 93 31.069 0.488 -10.867 740 HA PHE 93 HA PHE 93 30.993 -1.290 -8.463 741 HB2 PHE 93 1HB PHE 93 32.441 1.366 -8.816 742 HB3 PHE 93 2HB PHE 93 32.298 0.499 -7.295 743 HD1 PHE 93 HD1 PHE 93 33.736 0.362 -10.699 744 HD2 PHE 93 HD2 PHE 93 33.695 -1.350 -6.786 745 HE1 PHE 93 HE1 PHE 93 35.773 -0.928 -11.244 746 HE2 PHE 93 HE2 PHE 93 35.734 -2.640 -7.325 747 HZ PHE 93 HZ PHE 93 36.771 -2.429 -9.557 748 H LEU 94 H LEU 94 29.756 -0.666 -6.717 749 HA LEU 94 HA LEU 94 27.876 1.590 -7.244 750 HB2 LEU 94 1HB LEU 94 27.583 -0.706 -5.278 751 HB3 LEU 94 2HB LEU 94 26.365 0.514 -5.663 752 HG LEU 94 HG LEU 94 27.361 -1.735 -7.437 753 HD11 LEU 94 1HD1 LEU 94 24.993 -2.380 -7.384 754 HD12 LEU 94 2HD1 LEU 94 25.696 -2.329 -5.752 755 HD13 LEU 94 3HD1 LEU 94 24.642 -1.007 -6.310 756 HD21 LEU 94 1HD2 LEU 94 25.840 -0.813 -9.154 757 HD22 LEU 94 2HD2 LEU 94 25.500 0.583 -8.103 758 HD23 LEU 94 3HD2 LEU 94 27.137 0.341 -8.760 759 H ARG 95 H ARG 95 28.862 3.366 -6.440 760 HA ARG 95 HA ARG 95 30.071 3.127 -3.718 761 HB2 ARG 95 1HB ARG 95 30.773 4.974 -6.022 762 HB3 ARG 95 2HB ARG 95 31.452 5.110 -4.408 763 HG2 ARG 95 1HG ARG 95 32.548 2.979 -4.608 764 HG3 ARG 95 2HG ARG 95 31.719 2.647 -6.149 765 HD2 ARG 95 1HD ARG 95 32.844 4.540 -7.164 766 HD3 ARG 95 2HD ARG 95 33.665 4.883 -5.624 767 HE ARG 95 HE ARG 95 34.532 2.449 -5.935 768 HH11 ARG 95 1HH1 ARG 95 33.981 4.798 -8.489 769 HH12 ARG 95 2HH1 ARG 95 35.219 4.137 -9.535 770 HH21 ARG 95 1HH2 ARG 95 36.135 1.601 -7.301 771 HH22 ARG 95 2HH2 ARG 95 36.438 2.329 -8.863 772 H ASP 96 H ASP 96 29.943 4.969 -2.317 773 HA ASP 96 HA ASP 96 27.323 6.145 -2.246 774 HB2 ASP 96 1HB ASP 96 29.868 6.789 -0.705 775 HB3 ASP 96 2HB ASP 96 28.308 7.529 -0.368 Start of MODEL 8 1 H1 MET 1 1H MET 1 -1.522 0.151 -4.757 2 H2 MET 1 2H MET 1 -1.660 1.662 -4.155 3 H3 MET 1 3H MET 1 -0.963 1.425 -5.612 4 HA MET 1 HA MET 1 0.064 0.529 -3.039 5 HB2 MET 1 1HB MET 1 1.155 0.232 -5.863 6 HB3 MET 1 2HB MET 1 2.097 -0.075 -4.411 7 HG2 MET 1 1HG MET 1 0.537 -1.869 -3.768 8 HG3 MET 1 2HG MET 1 -0.428 -1.553 -5.211 9 HE1 MET 1 1HE MET 1 3.840 -3.330 -5.175 10 HE2 MET 1 2HE MET 1 3.504 -1.667 -4.633 11 HE3 MET 1 3HE MET 1 2.839 -3.050 -3.729 12 H LYS 2 H LYS 2 0.374 2.390 -1.989 13 HA LYS 2 HA LYS 2 1.355 4.788 -3.262 14 HB2 LYS 2 1HB LYS 2 0.063 4.799 -1.135 15 HB3 LYS 2 2HB LYS 2 1.392 3.981 -0.325 16 HG2 LYS 2 1HG LYS 2 2.855 5.909 -0.721 17 HG3 LYS 2 2HG LYS 2 1.554 6.730 -1.596 18 HD2 LYS 2 1HD LYS 2 0.154 6.693 0.444 19 HD3 LYS 2 2HD LYS 2 1.451 5.865 1.319 20 HE2 LYS 2 1HE LYS 2 2.947 7.797 0.931 21 HE3 LYS 2 2HE LYS 2 1.656 8.625 0.055 22 HZ1 LYS 2 1HZ LYS 2 1.790 9.352 2.323 23 HZ2 LYS 2 2HZ LYS 2 0.348 8.592 2.066 24 HZ3 LYS 2 3HZ LYS 2 1.554 7.820 2.886 25 HA PRO 3 HA PRO 3 5.495 3.435 -3.533 26 HB2 PRO 3 1HB PRO 3 6.551 5.654 -4.741 27 HB3 PRO 3 2HB PRO 3 5.480 4.543 -5.602 28 HG2 PRO 3 1HG PRO 3 4.792 7.176 -4.227 29 HG3 PRO 3 2HG PRO 3 4.348 6.645 -5.852 30 HD2 PRO 3 1HD PRO 3 2.623 6.387 -3.757 31 HD3 PRO 3 2HD PRO 3 2.693 5.154 -5.079 32 H HIS 4 H HIS 4 7.686 4.183 -2.820 33 HA HIS 4 HA HIS 4 7.596 5.288 -0.145 34 HB2 HIS 4 1HB HIS 4 9.902 4.600 -2.000 35 HB3 HIS 4 2HB HIS 4 10.121 5.197 -0.361 36 HD2 HIS 4 HD2 HIS 4 9.050 1.922 -2.200 37 HE1 HIS 4 HE1 HIS 4 9.249 1.125 1.982 38 HA PRO 5 HA PRO 5 8.195 9.459 -1.323 39 HB2 PRO 5 1HB PRO 5 8.030 10.647 1.079 40 HB3 PRO 5 2HB PRO 5 6.631 9.774 0.440 41 HG2 PRO 5 1HG PRO 5 8.691 8.853 2.485 42 HG3 PRO 5 2HG PRO 5 6.933 8.707 2.557 43 HD2 PRO 5 1HD PRO 5 8.629 6.685 1.653 44 HD3 PRO 5 2HD PRO 5 6.889 6.838 1.175 45 H TRP 6 H TRP 6 10.520 7.455 -0.128 46 HA TRP 6 HA TRP 6 11.891 9.194 1.724 47 HB2 TRP 6 1HB TRP 6 12.610 6.507 0.499 48 HB3 TRP 6 2HB TRP 6 13.635 7.329 1.668 49 HD1 TRP 6 HD1 TRP 6 10.939 4.847 1.519 50 HE1 TRP 6 HE1 TRP 6 9.868 4.463 3.842 51 HE3 TRP 6 HE3 TRP 6 12.862 8.929 3.959 52 HZ2 TRP 6 HZ2 TRP 6 9.861 5.737 6.361 53 HZ3 TRP 6 HZ3 TRP 6 12.282 9.289 6.325 54 HH2 TRP 6 HH2 TRP 6 10.808 7.720 7.515 55 H PHE 7 H PHE 7 13.014 10.904 1.115 56 HA PHE 7 HA PHE 7 14.610 12.184 0.061 57 HB2 PHE 7 1HB PHE 7 15.879 9.898 0.614 58 HB3 PHE 7 2HB PHE 7 15.908 9.750 -1.136 59 HD1 PHE 7 HD1 PHE 7 17.327 11.378 1.750 60 HD2 PHE 7 HD2 PHE 7 16.992 11.557 -2.506 61 HE1 PHE 7 HE1 PHE 7 19.296 12.871 1.658 62 HE2 PHE 7 HE2 PHE 7 18.962 13.048 -2.601 63 HZ PHE 7 HZ PHE 7 20.113 13.706 -0.518 64 H PHE 8 H PHE 8 14.647 9.493 -2.273 65 HA PHE 8 HA PHE 8 13.762 11.439 -4.352 66 HB2 PHE 8 1HB PHE 8 15.297 8.821 -4.569 67 HB3 PHE 8 2HB PHE 8 14.709 9.724 -5.955 68 HD1 PHE 8 HD1 PHE 8 15.255 12.516 -5.049 69 HD2 PHE 8 HD2 PHE 8 17.610 8.962 -4.781 70 HE1 PHE 8 HE1 PHE 8 17.315 13.884 -5.035 71 HE2 PHE 8 HE2 PHE 8 19.672 10.326 -4.763 72 HZ PHE 8 HZ PHE 8 19.523 12.788 -4.892 73 H GLY 9 H GLY 9 13.006 8.411 -2.774 74 HA2 GLY 9 1HA GLY 9 11.178 6.994 -2.951 75 HA3 GLY 9 2HA GLY 9 10.279 8.425 -3.419 76 H LYS 10 H LYS 10 9.085 7.866 -5.140 77 HA LYS 10 HA LYS 10 10.129 6.095 -7.220 78 HB2 LYS 10 1HB LYS 10 7.726 6.084 -6.563 79 HB3 LYS 10 2HB LYS 10 7.567 7.741 -7.129 80 HG2 LYS 10 1HG LYS 10 8.034 7.055 -9.418 81 HG3 LYS 10 2HG LYS 10 8.339 5.395 -8.887 82 HD2 LYS 10 1HD LYS 10 6.117 5.358 -9.684 83 HD3 LYS 10 2HD LYS 10 5.950 5.440 -7.923 84 HE2 LYS 10 1HE LYS 10 5.432 7.777 -7.986 85 HE3 LYS 10 2HE LYS 10 5.921 7.914 -9.677 86 HZ1 LYS 10 1HZ LYS 10 3.549 7.837 -9.449 87 HZ2 LYS 10 2HZ LYS 10 4.073 6.503 -10.266 88 HZ3 LYS 10 3HZ LYS 10 3.615 6.376 -8.687 89 H ILE 11 H ILE 11 11.935 8.038 -7.093 90 HA ILE 11 HA ILE 11 11.499 10.168 -8.967 91 HB ILE 11 HB ILE 11 13.412 9.987 -7.283 92 HG12 ILE 11 1HG1 ILE 11 14.135 10.592 -10.160 93 HG13 ILE 11 2HG1 ILE 11 13.302 11.686 -9.066 94 HG21 ILE 11 1HG2 ILE 11 15.430 8.801 -8.046 95 HG22 ILE 11 2HG2 ILE 11 14.076 7.672 -7.809 96 HG23 ILE 11 3HG2 ILE 11 14.537 8.176 -9.452 97 HD11 ILE 11 1HD1 ILE 11 15.665 12.233 -9.222 98 HD12 ILE 11 2HD1 ILE 11 15.253 11.701 -7.574 99 HD13 ILE 11 3HD1 ILE 11 16.098 10.594 -8.683 100 HA PRO 12 HA PRO 12 11.652 7.919 -12.748 101 HB2 PRO 12 1HB PRO 12 12.115 10.008 -14.456 102 HB3 PRO 12 2HB PRO 12 10.545 9.767 -13.678 103 HG2 PRO 12 1HG PRO 12 12.844 11.578 -12.803 104 HG3 PRO 12 2HG PRO 12 11.148 12.012 -13.033 105 HD2 PRO 12 1HD PRO 12 12.076 11.434 -10.564 106 HD3 PRO 12 2HD PRO 12 10.434 10.874 -11.077 107 H ARG 13 H ARG 13 13.251 7.122 -14.154 108 HA ARG 13 HA ARG 13 15.987 7.269 -13.498 109 HB2 ARG 13 1HB ARG 13 14.762 5.633 -15.068 110 HB3 ARG 13 2HB ARG 13 14.963 6.853 -16.317 111 HG2 ARG 13 1HG ARG 13 17.473 6.291 -14.940 112 HG3 ARG 13 2HG ARG 13 16.745 4.839 -15.669 113 HD2 ARG 13 1HD ARG 13 17.374 7.443 -17.036 114 HD3 ARG 13 2HD ARG 13 18.197 5.880 -17.247 115 HE ARG 13 HE ARG 13 15.499 5.453 -17.823 116 HH11 ARG 13 1HH1 ARG 13 18.153 7.380 -19.080 117 HH12 ARG 13 2HH1 ARG 13 17.550 7.369 -20.721 118 HH21 ARG 13 1HH2 ARG 13 14.726 5.444 -19.957 119 HH22 ARG 13 2HH2 ARG 13 15.610 6.272 -21.219 120 H ALA 14 H ALA 14 14.043 9.263 -15.698 121 HA ALA 14 HA ALA 14 15.936 10.777 -16.994 122 HB1 ALA 14 1HB ALA 14 14.356 12.676 -16.863 123 HB2 ALA 14 2HB ALA 14 13.521 11.147 -17.227 124 HB3 ALA 14 3HB ALA 14 13.456 11.828 -15.584 125 H LYS 15 H LYS 15 14.674 11.619 -13.739 126 HA LYS 15 HA LYS 15 16.524 13.827 -13.531 127 HB2 LYS 15 1HB LYS 15 14.187 13.490 -12.403 128 HB3 LYS 15 2HB LYS 15 15.074 12.586 -11.183 129 HG2 LYS 15 1HG LYS 15 14.866 14.785 -10.350 130 HG3 LYS 15 2HG LYS 15 16.544 14.636 -10.885 131 HD2 LYS 15 1HD LYS 15 15.792 15.666 -13.103 132 HD3 LYS 15 2HD LYS 15 14.260 16.042 -12.301 133 HE2 LYS 15 1HE LYS 15 15.337 17.463 -10.703 134 HE3 LYS 15 2HE LYS 15 16.942 16.895 -11.170 135 HZ1 LYS 15 1HZ LYS 15 16.458 19.035 -12.104 136 HZ2 LYS 15 2HZ LYS 15 16.619 17.924 -13.314 137 HZ3 LYS 15 3HZ LYS 15 15.120 18.457 -12.876 138 H ALA 16 H ALA 16 16.477 10.505 -12.323 139 HA ALA 16 HA ALA 16 18.500 10.846 -10.348 140 HB1 ALA 16 1HB ALA 16 18.695 8.382 -10.426 141 HB2 ALA 16 2HB ALA 16 16.995 8.908 -10.381 142 HB3 ALA 16 3HB ALA 16 17.717 8.360 -11.912 143 H GLU 17 H GLU 17 18.660 10.007 -13.787 144 HA GLU 17 HA GLU 17 21.512 9.529 -13.773 145 HB2 GLU 17 1HB GLU 17 19.547 10.148 -16.012 146 HB3 GLU 17 2HB GLU 17 21.247 9.798 -16.288 147 HG2 GLU 17 1HG GLU 17 20.845 7.600 -15.047 148 HG3 GLU 17 2HG GLU 17 19.125 7.962 -15.182 149 H GLU 18 H GLU 18 19.451 12.328 -14.539 150 HA GLU 18 HA GLU 18 21.463 14.100 -15.415 151 HB2 GLU 18 1HB GLU 18 19.030 14.586 -15.505 152 HB3 GLU 18 2HB GLU 18 18.987 14.726 -13.753 153 HG2 GLU 18 1HG GLU 18 20.594 16.629 -13.914 154 HG3 GLU 18 2HG GLU 18 20.489 16.521 -15.669 155 H MET 19 H MET 19 20.322 13.426 -12.100 156 HA MET 19 HA MET 19 22.024 15.341 -10.832 157 HB2 MET 19 1HB MET 19 20.571 12.860 -9.892 158 HB3 MET 19 2HB MET 19 21.647 13.729 -8.808 159 HG2 MET 19 1HG MET 19 20.292 15.801 -9.218 160 HG3 MET 19 2HG MET 19 19.167 14.822 -10.161 161 HE1 MET 19 1HE MET 19 17.258 12.737 -7.640 162 HE2 MET 19 2HE MET 19 17.224 13.577 -9.211 163 HE3 MET 19 3HE MET 19 18.422 12.294 -8.912 164 H LEU 20 H LEU 20 22.474 11.921 -11.656 165 HA LEU 20 HA LEU 20 24.995 11.629 -10.327 166 HB2 LEU 20 1HB LEU 20 23.760 10.170 -12.685 167 HB3 LEU 20 2HB LEU 20 25.283 9.689 -11.929 168 HG LEU 20 HG LEU 20 22.585 9.771 -10.530 169 HD11 LEU 20 1HD1 LEU 20 22.730 7.323 -10.635 170 HD12 LEU 20 2HD1 LEU 20 22.687 8.049 -12.258 171 HD13 LEU 20 3HD1 LEU 20 24.225 7.453 -11.591 172 HD21 LEU 20 1HD2 LEU 20 23.802 8.575 -8.741 173 HD22 LEU 20 2HD2 LEU 20 25.313 8.721 -9.670 174 HD23 LEU 20 3HD2 LEU 20 24.513 10.180 -9.036 175 H SER 21 H SER 21 24.060 12.798 -13.523 176 HA SER 21 HA SER 21 26.791 12.832 -14.530 177 HB2 SER 21 1HB SER 21 25.846 13.923 -16.469 178 HB3 SER 21 2HB SER 21 24.802 12.591 -15.998 179 HG SER 21 HG SER 21 23.885 14.515 -14.646 180 H LYS 22 H LYS 22 24.937 14.864 -12.489 181 HA LYS 22 HA LYS 22 26.785 17.133 -12.872 182 HB2 LYS 22 1HB LYS 22 24.519 16.630 -10.907 183 HB3 LYS 22 2HB LYS 22 25.529 18.069 -10.876 184 HG2 LYS 22 1HG LYS 22 24.776 18.664 -13.142 185 HG3 LYS 22 2HG LYS 22 23.777 17.204 -13.195 186 HD2 LYS 22 1HD LYS 22 22.487 18.009 -11.247 187 HD3 LYS 22 2HD LYS 22 23.491 19.465 -11.181 188 HE2 LYS 22 1HE LYS 22 22.724 20.127 -13.417 189 HE3 LYS 22 2HE LYS 22 21.774 18.644 -13.554 190 HZ1 LYS 22 1HZ LYS 22 20.426 20.498 -12.896 191 HZ2 LYS 22 2HZ LYS 22 20.464 19.380 -11.683 192 HZ3 LYS 22 3HZ LYS 22 21.350 20.766 -11.556 193 H GLN 23 H GLN 23 26.329 14.357 -10.773 194 HA GLN 23 HA GLN 23 28.441 15.097 -8.931 195 HB2 GLN 23 1HB GLN 23 27.212 12.398 -9.618 196 HB3 GLN 23 2HB GLN 23 28.381 12.651 -8.330 197 HG2 GLN 23 1HG GLN 23 25.698 14.040 -8.484 198 HG3 GLN 23 2HG GLN 23 26.028 12.546 -7.562 199 HE21 GLN 23 1HE2 GLN 23 26.493 15.987 -5.734 200 HE22 GLN 23 2HE2 GLN 23 25.439 15.638 -7.064 201 H ARG 24 H ARG 24 28.263 13.199 -11.929 202 HA ARG 24 HA ARG 24 29.900 12.177 -13.186 203 HB2 ARG 24 1HB ARG 24 31.783 14.292 -12.112 204 HB3 ARG 24 2HB ARG 24 31.866 13.455 -13.654 205 HG2 ARG 24 1HG ARG 24 29.547 15.255 -12.964 206 HG3 ARG 24 2HG ARG 24 31.065 15.874 -13.659 207 HD2 ARG 24 1HD ARG 24 29.209 13.830 -14.853 208 HD3 ARG 24 2HD ARG 24 29.485 15.498 -15.404 209 HE ARG 24 HE ARG 24 31.160 13.175 -15.878 210 HH11 ARG 24 1HH1 ARG 24 31.023 16.683 -15.764 211 HH12 ARG 24 2HH1 ARG 24 32.395 16.896 -16.829 212 HH21 ARG 24 1HH2 ARG 24 32.939 13.464 -17.259 213 HH22 ARG 24 2HH2 ARG 24 33.480 15.074 -17.676 214 H HIS 25 H HIS 25 29.542 11.269 -10.435 215 HA HIS 25 HA HIS 25 32.310 10.624 -9.553 216 HB2 HIS 25 1HB HIS 25 30.692 11.520 -7.884 217 HB3 HIS 25 2HB HIS 25 29.647 10.136 -8.170 218 HD2 HIS 25 HD2 HIS 25 31.402 7.505 -7.634 219 HE1 HIS 25 HE1 HIS 25 33.140 9.630 -4.391 220 H ASP 26 H ASP 26 33.037 9.041 -10.875 221 HA ASP 26 HA ASP 26 31.484 6.905 -11.896 222 HB2 ASP 26 1HB ASP 26 33.673 7.500 -12.829 223 HB3 ASP 26 2HB ASP 26 34.471 7.049 -11.329 224 H GLY 27 H GLY 27 30.618 5.177 -11.010 225 HA2 GLY 27 1HA GLY 27 30.826 3.208 -9.556 226 HA3 GLY 27 2HA GLY 27 31.743 4.181 -8.422 227 H ALA 28 H ALA 28 29.870 6.509 -8.871 228 HA ALA 28 HA ALA 28 28.213 5.974 -6.604 229 HB1 ALA 28 1HB ALA 28 27.230 8.194 -7.073 230 HB2 ALA 28 2HB ALA 28 29.007 8.230 -7.150 231 HB3 ALA 28 3HB ALA 28 28.053 8.216 -8.651 232 H PHE 29 H PHE 29 25.858 6.215 -6.508 233 HA PHE 29 HA PHE 29 24.428 5.270 -8.912 234 HB2 PHE 29 1HB PHE 29 23.487 3.311 -7.718 235 HB3 PHE 29 2HB PHE 29 25.222 3.174 -7.951 236 HD1 PHE 29 HD1 PHE 29 22.560 3.815 -5.483 237 HD2 PHE 29 HD2 PHE 29 26.731 3.125 -6.097 238 HE1 PHE 29 HE1 PHE 29 22.852 3.434 -3.058 239 HE2 PHE 29 HE2 PHE 29 27.027 2.740 -3.673 240 HZ PHE 29 HZ PHE 29 25.087 2.897 -2.153 241 H LEU 30 H LEU 30 22.144 5.400 -8.747 242 HA LEU 30 HA LEU 30 21.142 6.662 -6.232 243 HB2 LEU 30 1HB LEU 30 21.194 8.126 -8.359 244 HB3 LEU 30 2HB LEU 30 19.899 7.085 -8.959 245 HG LEU 30 HG LEU 30 19.550 8.381 -6.275 246 HD11 LEU 30 1HD1 LEU 30 18.684 10.407 -7.358 247 HD12 LEU 30 2HD1 LEU 30 20.419 10.179 -7.679 248 HD13 LEU 30 3HD1 LEU 30 19.222 9.792 -8.938 249 HD21 LEU 30 1HD2 LEU 30 17.204 8.403 -7.052 250 HD22 LEU 30 2HD2 LEU 30 17.719 7.759 -8.630 251 HD23 LEU 30 3HD2 LEU 30 17.899 6.768 -7.162 252 H ILE 31 H ILE 31 19.991 5.246 -5.137 253 HA ILE 31 HA ILE 31 18.592 3.077 -6.572 254 HB ILE 31 HB ILE 31 19.154 3.616 -3.634 255 HG12 ILE 31 1HG1 ILE 31 19.898 1.215 -5.300 256 HG13 ILE 31 2HG1 ILE 31 20.900 2.656 -5.246 257 HG21 ILE 31 1HG2 ILE 31 17.996 1.498 -3.151 258 HG22 ILE 31 2HG2 ILE 31 16.874 2.697 -3.835 259 HG23 ILE 31 3HG2 ILE 31 17.495 1.378 -4.855 260 HD11 ILE 31 1HD1 ILE 31 21.688 0.981 -3.670 261 HD12 ILE 31 2HD1 ILE 31 21.118 2.431 -2.809 262 HD13 ILE 31 3HD1 ILE 31 20.103 0.970 -2.863 263 H ARG 32 H ARG 32 16.456 2.903 -6.839 264 HA ARG 32 HA ARG 32 14.679 4.866 -5.514 265 HB2 ARG 32 1HB ARG 32 13.825 5.771 -7.555 266 HB3 ARG 32 2HB ARG 32 15.574 5.937 -7.607 267 HG2 ARG 32 1HG ARG 32 15.545 3.733 -8.960 268 HG3 ARG 32 2HG ARG 32 13.809 4.067 -9.167 269 HD2 ARG 32 1HD ARG 32 14.297 6.193 -10.159 270 HD3 ARG 32 2HD ARG 32 16.036 5.968 -9.858 271 HE ARG 32 HE ARG 32 16.150 4.461 -11.621 272 HH11 ARG 32 1HH1 ARG 32 12.822 5.407 -11.016 273 HH12 ARG 32 2HH1 ARG 32 12.229 4.746 -12.524 274 HH21 ARG 32 1HH2 ARG 32 15.368 3.606 -13.574 275 HH22 ARG 32 2HH2 ARG 32 13.669 3.727 -13.972 276 H GLU 33 H GLU 33 12.374 4.482 -6.040 277 HA GLU 33 HA GLU 33 11.828 1.601 -6.357 278 HB2 GLU 33 1HB GLU 33 10.643 2.830 -4.589 279 HB3 GLU 33 2HB GLU 33 9.998 3.962 -5.768 280 HG2 GLU 33 1HG GLU 33 8.654 2.240 -6.788 281 HG3 GLU 33 2HG GLU 33 9.409 0.997 -5.793 282 H SER 34 H SER 34 10.866 0.641 -8.048 283 HA SER 34 HA SER 34 11.068 1.945 -10.595 284 HB2 SER 34 1HB SER 34 11.368 -0.445 -10.416 285 HB3 SER 34 2HB SER 34 9.765 -0.653 -9.729 286 HG SER 34 HG SER 34 10.538 -0.481 -12.277 287 H GLU 35 H GLU 35 9.586 2.826 -11.940 288 HA GLU 35 HA GLU 35 6.969 3.526 -10.822 289 HB2 GLU 35 1HB GLU 35 8.253 4.078 -13.527 290 HB3 GLU 35 2HB GLU 35 6.667 4.669 -13.052 291 HG2 GLU 35 1HG GLU 35 7.645 5.972 -11.247 292 HG3 GLU 35 2HG GLU 35 9.241 5.313 -11.600 293 H SER 36 H SER 36 8.308 1.225 -13.109 294 HA SER 36 HA SER 36 5.660 0.560 -14.199 295 HB2 SER 36 1HB SER 36 6.857 -0.972 -15.635 296 HB3 SER 36 2HB SER 36 7.700 0.570 -15.620 297 HG SER 36 HG SER 36 8.367 -1.431 -13.795 298 H ALA 37 H ALA 37 7.789 -0.523 -11.686 299 HA ALA 37 HA ALA 37 5.824 -2.657 -11.055 300 HB1 ALA 37 1HB ALA 37 7.658 -4.199 -10.442 301 HB2 ALA 37 2HB ALA 37 7.702 -3.777 -12.171 302 HB3 ALA 37 3HB ALA 37 8.843 -3.015 -11.039 303 HA PRO 38 HA PRO 38 6.595 0.210 -7.525 304 HB2 PRO 38 1HB PRO 38 3.769 -0.844 -7.103 305 HB3 PRO 38 2HB PRO 38 4.406 0.776 -6.795 306 HG2 PRO 38 1HG PRO 38 2.971 0.395 -8.998 307 HG3 PRO 38 2HG PRO 38 4.452 1.351 -9.107 308 HD2 PRO 38 1HD PRO 38 3.983 -1.556 -9.874 309 HD3 PRO 38 2HD PRO 38 4.922 -0.282 -10.752 310 H GLY 39 H GLY 39 7.198 -0.437 -5.485 311 HA2 GLY 39 1HA GLY 39 7.219 -1.938 -3.599 312 HA3 GLY 39 2HA GLY 39 6.578 -3.217 -4.616 313 H ASP 40 H ASP 40 8.496 -2.499 -6.821 314 HA ASP 40 HA ASP 40 10.917 -3.777 -5.661 315 HB2 ASP 40 1HB ASP 40 9.969 -3.407 -8.528 316 HB3 ASP 40 2HB ASP 40 11.560 -4.032 -8.114 317 H PHE 41 H PHE 41 13.022 -3.003 -6.201 318 HA PHE 41 HA PHE 41 13.044 -0.043 -6.603 319 HB2 PHE 41 1HB PHE 41 14.965 -1.855 -5.093 320 HB3 PHE 41 2HB PHE 41 15.276 -0.157 -5.417 321 HD1 PHE 41 HD1 PHE 41 14.059 -2.401 -3.058 322 HD2 PHE 41 HD2 PHE 41 13.244 1.451 -4.714 323 HE1 PHE 41 HE1 PHE 41 12.818 -1.786 -1.010 324 HE2 PHE 41 HE2 PHE 41 12.004 2.072 -2.668 325 HZ PHE 41 HZ PHE 41 11.789 0.452 -0.815 326 H SER 42 H SER 42 14.626 0.903 -7.921 327 HA SER 42 HA SER 42 16.269 -1.020 -9.516 328 HB2 SER 42 1HB SER 42 15.286 1.769 -10.198 329 HB3 SER 42 2HB SER 42 16.460 0.882 -11.158 330 HG SER 42 HG SER 42 14.870 -0.038 -12.035 331 H LEU 43 H LEU 43 18.441 -0.449 -9.989 332 HA LEU 43 HA LEU 43 19.562 1.681 -8.219 333 HB2 LEU 43 1HB LEU 43 20.024 -0.796 -7.583 334 HB3 LEU 43 2HB LEU 43 21.087 -0.812 -8.993 335 HG LEU 43 HG LEU 43 21.483 1.352 -6.955 336 HD11 LEU 43 1HD1 LEU 43 22.881 -0.150 -5.608 337 HD12 LEU 43 2HD1 LEU 43 21.175 -0.656 -5.601 338 HD13 LEU 43 3HD1 LEU 43 22.359 -1.528 -6.603 339 HD21 LEU 43 1HD2 LEU 43 23.831 0.987 -7.633 340 HD22 LEU 43 2HD2 LEU 43 23.324 -0.377 -8.659 341 HD23 LEU 43 3HD2 LEU 43 22.793 1.277 -9.051 342 H SER 44 H SER 44 20.111 3.310 -9.492 343 HA SER 44 HA SER 44 21.157 2.699 -12.208 344 HB2 SER 44 1HB SER 44 20.051 5.232 -10.961 345 HB3 SER 44 2HB SER 44 20.777 5.177 -12.560 346 HG SER 44 HG SER 44 19.216 3.876 -13.257 347 H VAL 45 H VAL 45 23.284 2.569 -12.390 348 HA VAL 45 HA VAL 45 24.915 3.971 -10.326 349 HB VAL 45 HB VAL 45 25.059 1.491 -10.359 350 HG11 VAL 45 1HG1 VAL 45 26.089 0.338 -12.255 351 HG12 VAL 45 2HG1 VAL 45 24.553 1.115 -12.703 352 HG13 VAL 45 3HG1 VAL 45 26.099 1.861 -13.175 353 HG21 VAL 45 1HG2 VAL 45 27.525 1.339 -10.496 354 HG22 VAL 45 2HG2 VAL 45 27.571 2.896 -11.356 355 HG23 VAL 45 3HG2 VAL 45 27.017 2.829 -9.667 356 H LYS 46 H LYS 46 26.149 5.614 -10.906 357 HA LYS 46 HA LYS 46 26.689 6.123 -13.753 358 HB2 LYS 46 1HB LYS 46 26.173 8.094 -12.551 359 HB3 LYS 46 2HB LYS 46 27.182 7.643 -11.185 360 HG2 LYS 46 1HG LYS 46 28.329 9.384 -12.279 361 HG3 LYS 46 2HG LYS 46 29.188 7.906 -12.733 362 HD2 LYS 46 1HD LYS 46 28.986 8.905 -14.803 363 HD3 LYS 46 2HD LYS 46 27.502 7.940 -14.784 364 HE2 LYS 46 1HE LYS 46 26.247 9.922 -13.962 365 HE3 LYS 46 2HE LYS 46 27.728 10.880 -14.037 366 HZ1 LYS 46 1HZ LYS 46 26.382 11.182 -15.982 367 HZ2 LYS 46 2HZ LYS 46 27.808 10.464 -16.398 368 HZ3 LYS 46 3HZ LYS 46 26.422 9.571 -16.328 369 H PHE 47 H PHE 47 28.033 4.453 -14.384 370 HA PHE 47 HA PHE 47 30.747 4.481 -13.156 371 HB2 PHE 47 1HB PHE 47 31.115 2.361 -14.105 372 HB3 PHE 47 2HB PHE 47 29.438 2.293 -13.586 373 HD1 PHE 47 HD1 PHE 47 31.711 2.067 -16.363 374 HD2 PHE 47 HD2 PHE 47 27.613 2.630 -15.296 375 HE1 PHE 47 HE1 PHE 47 31.031 1.442 -18.657 376 HE2 PHE 47 HE2 PHE 47 26.928 2.004 -17.588 377 HZ PHE 47 HZ PHE 47 28.639 1.411 -19.269 378 H GLY 48 H GLY 48 32.508 5.223 -14.222 379 HA2 GLY 48 1HA GLY 48 33.543 6.770 -15.606 380 HA3 GLY 48 2HA GLY 48 32.625 6.078 -16.931 381 H ASN 49 H ASN 49 31.386 7.493 -17.973 382 HA ASN 49 HA ASN 49 30.168 9.722 -16.395 383 HB2 ASN 49 1HB ASN 49 31.003 9.632 -19.312 384 HB3 ASN 49 2HB ASN 49 30.072 10.938 -18.591 385 HD21 ASN 49 1HD2 ASN 49 34.071 10.789 -18.208 386 HD22 ASN 49 2HD2 ASN 49 33.163 9.653 -19.149 387 H ASP 50 H ASP 50 29.431 6.809 -17.579 388 HA ASP 50 HA ASP 50 26.729 7.665 -18.519 389 HB2 ASP 50 1HB ASP 50 28.258 5.080 -19.019 390 HB3 ASP 50 2HB ASP 50 26.595 5.362 -19.518 391 H VAL 51 H VAL 51 24.899 6.388 -17.874 392 HA VAL 51 HA VAL 51 25.301 5.135 -15.192 393 HB VAL 51 HB VAL 51 22.774 6.336 -16.402 394 HG11 VAL 51 1HG1 VAL 51 21.834 6.075 -14.158 395 HG12 VAL 51 2HG1 VAL 51 22.286 4.512 -14.878 396 HG13 VAL 51 3HG1 VAL 51 23.321 5.251 -13.633 397 HG21 VAL 51 1HG2 VAL 51 23.116 8.124 -14.725 398 HG22 VAL 51 2HG2 VAL 51 24.643 7.360 -14.224 399 HG23 VAL 51 3HG2 VAL 51 24.481 8.038 -15.862 400 H GLN 52 H GLN 52 24.901 3.037 -14.937 401 HA GLN 52 HA GLN 52 23.261 1.667 -17.022 402 HB2 GLN 52 1HB GLN 52 25.647 0.858 -16.563 403 HB3 GLN 52 2HB GLN 52 25.082 0.348 -14.978 404 HG2 GLN 52 1HG GLN 52 23.594 -1.252 -15.912 405 HG3 GLN 52 2HG GLN 52 23.828 -0.599 -17.558 406 HE21 GLN 52 1HE2 GLN 52 25.861 -3.738 -16.930 407 HE22 GLN 52 2HE2 GLN 52 24.202 -3.339 -16.631 408 H HIS 53 H HIS 53 21.615 0.251 -16.429 409 HA HIS 53 HA HIS 53 20.429 0.963 -13.777 410 HB2 HIS 53 1HB HIS 53 19.049 1.683 -15.629 411 HB3 HIS 53 2HB HIS 53 19.154 0.104 -16.395 412 HD2 HIS 53 HD2 HIS 53 16.724 1.972 -14.021 413 HE1 HIS 53 HE1 HIS 53 15.976 -2.192 -13.623 414 H PHE 54 H PHE 54 20.526 -0.507 -12.257 415 HA PHE 54 HA PHE 54 20.420 -3.377 -13.051 416 HB2 PHE 54 1HB PHE 54 21.037 -2.176 -10.324 417 HB3 PHE 54 2HB PHE 54 21.187 -3.866 -10.783 418 HD1 PHE 54 HD1 PHE 54 22.282 -2.829 -13.663 419 HD2 PHE 54 HD2 PHE 54 23.399 -2.327 -9.570 420 HE1 PHE 54 HE1 PHE 54 24.623 -2.435 -14.352 421 HE2 PHE 54 HE2 PHE 54 25.741 -1.930 -10.256 422 HZ PHE 54 HZ PHE 54 26.353 -1.985 -12.648 423 H LYS 55 H LYS 55 19.153 -4.811 -11.575 424 HA LYS 55 HA LYS 55 16.550 -3.476 -10.951 425 HB2 LYS 55 1HB LYS 55 15.455 -5.601 -11.583 426 HB3 LYS 55 2HB LYS 55 16.351 -4.905 -12.927 427 HG2 LYS 55 1HG LYS 55 18.271 -6.498 -12.185 428 HG3 LYS 55 2HG LYS 55 17.003 -7.340 -11.283 429 HD2 LYS 55 1HD LYS 55 15.674 -7.342 -13.499 430 HD3 LYS 55 2HD LYS 55 17.203 -6.895 -14.271 431 HE2 LYS 55 1HE LYS 55 18.271 -8.916 -13.311 432 HE3 LYS 55 2HE LYS 55 16.738 -9.366 -12.559 433 HZ1 LYS 55 1HZ LYS 55 17.081 -10.516 -14.620 434 HZ2 LYS 55 2HZ LYS 55 15.775 -9.518 -14.752 435 HZ3 LYS 55 3HZ LYS 55 17.207 -9.099 -15.454 436 H VAL 56 H VAL 56 16.115 -3.401 -8.885 437 HA VAL 56 HA VAL 56 17.266 -5.511 -7.120 438 HB VAL 56 HB VAL 56 16.125 -2.780 -6.390 439 HG11 VAL 56 1HG1 VAL 56 17.145 -3.189 -4.204 440 HG12 VAL 56 2HG1 VAL 56 15.902 -4.400 -4.595 441 HG13 VAL 56 3HG1 VAL 56 17.626 -4.818 -4.733 442 HG21 VAL 56 1HG2 VAL 56 18.490 -2.154 -6.014 443 HG22 VAL 56 2HG2 VAL 56 19.005 -3.752 -6.605 444 HG23 VAL 56 3HG2 VAL 56 18.206 -2.608 -7.710 445 H LEU 57 H LEU 57 15.844 -7.164 -6.893 446 HA LEU 57 HA LEU 57 12.979 -6.463 -7.307 447 HB2 LEU 57 1HB LEU 57 14.389 -9.127 -7.691 448 HB3 LEU 57 2HB LEU 57 12.718 -8.752 -8.125 449 HG LEU 57 HG LEU 57 15.180 -7.506 -9.400 450 HD11 LEU 57 1HD1 LEU 57 14.572 -8.886 -11.336 451 HD12 LEU 57 2HD1 LEU 57 14.959 -9.883 -9.915 452 HD13 LEU 57 3HD1 LEU 57 13.262 -9.634 -10.393 453 HD21 LEU 57 1HD2 LEU 57 13.539 -6.619 -11.020 454 HD22 LEU 57 2HD2 LEU 57 12.214 -7.336 -10.073 455 HD23 LEU 57 3HD2 LEU 57 13.199 -6.027 -9.377 456 H ARG 58 H ARG 58 11.365 -7.232 -6.014 457 HA ARG 58 HA ARG 58 12.193 -8.234 -3.368 458 HB2 ARG 58 1HB ARG 58 10.461 -6.420 -3.669 459 HB3 ARG 58 2HB ARG 58 9.400 -7.622 -4.386 460 HG2 ARG 58 1HG ARG 58 9.333 -8.878 -2.311 461 HG3 ARG 58 2HG ARG 58 10.514 -7.768 -1.575 462 HD2 ARG 58 1HD ARG 58 8.352 -7.163 -0.825 463 HD3 ARG 58 2HD ARG 58 8.905 -5.922 -1.973 464 HE ARG 58 HE ARG 58 7.436 -7.847 -3.408 465 HH11 ARG 58 1HH1 ARG 58 6.929 -5.407 -0.932 466 HH12 ARG 58 2HH1 ARG 58 5.268 -5.107 -1.390 467 HH21 ARG 58 1HH2 ARG 58 5.278 -7.450 -3.993 468 HH22 ARG 58 2HH2 ARG 58 4.333 -6.263 -3.123 469 H ASP 59 H ASP 59 12.132 -10.279 -2.750 470 HA ASP 59 HA ASP 59 11.013 -12.309 -4.550 471 HB2 ASP 59 1HB ASP 59 13.200 -12.438 -3.089 472 HB3 ASP 59 2HB ASP 59 12.100 -12.876 -1.789 473 H GLY 60 H GLY 60 9.751 -14.145 -3.501 474 HA2 GLY 60 1HA GLY 60 7.254 -13.197 -2.508 475 HA3 GLY 60 2HA GLY 60 7.789 -14.866 -2.496 476 H ALA 61 H ALA 61 10.267 -13.763 -0.936 477 HA ALA 61 HA ALA 61 9.152 -14.298 1.698 478 HB1 ALA 61 1HB ALA 61 11.483 -14.013 2.473 479 HB2 ALA 61 2HB ALA 61 11.381 -15.124 1.087 480 HB3 ALA 61 3HB ALA 61 11.947 -13.454 0.850 481 H GLY 62 H GLY 62 9.343 -11.538 -0.210 482 HA2 GLY 62 1HA GLY 62 8.984 -9.277 0.395 483 HA3 GLY 62 2HA GLY 62 9.170 -9.698 2.087 484 H LYS 63 H LYS 63 11.667 -11.250 0.662 485 HA LYS 63 HA LYS 63 13.596 -9.249 1.545 486 HB2 LYS 63 1HB LYS 63 13.884 -11.997 0.275 487 HB3 LYS 63 2HB LYS 63 15.262 -10.988 0.688 488 HG2 LYS 63 1HG LYS 63 14.409 -10.959 3.072 489 HG3 LYS 63 2HG LYS 63 13.223 -12.176 2.581 490 HD2 LYS 63 1HD LYS 63 16.210 -12.511 2.152 491 HD3 LYS 63 2HD LYS 63 15.372 -13.071 3.607 492 HE2 LYS 63 1HE LYS 63 13.908 -14.497 2.230 493 HE3 LYS 63 2HE LYS 63 14.707 -13.922 0.764 494 HZ1 LYS 63 1HZ LYS 63 15.575 -16.027 1.473 495 HZ2 LYS 63 2HZ LYS 63 16.753 -14.877 1.574 496 HZ3 LYS 63 3HZ LYS 63 16.007 -15.416 2.942 497 H TYR 64 H TYR 64 15.030 -8.070 0.366 498 HA TYR 64 HA TYR 64 14.414 -7.873 -2.544 499 HB2 TYR 64 1HB TYR 64 15.670 -5.932 -0.571 500 HB3 TYR 64 2HB TYR 64 15.743 -5.683 -2.310 501 HD1 TYR 64 HD1 TYR 64 13.439 -6.012 0.578 502 HD2 TYR 64 HD2 TYR 64 13.895 -4.841 -3.525 503 HE1 TYR 64 HE1 TYR 64 11.213 -4.939 0.636 504 HE2 TYR 64 HE2 TYR 64 11.669 -3.767 -3.466 505 HH TYR 64 HH TYR 64 9.804 -3.465 -2.278 506 H PHE 65 H PHE 65 15.907 -8.152 -4.097 507 HA PHE 65 HA PHE 65 18.748 -8.405 -3.322 508 HB2 PHE 65 1HB PHE 65 19.038 -10.552 -4.431 509 HB3 PHE 65 2HB PHE 65 17.835 -10.712 -3.161 510 HD1 PHE 65 HD1 PHE 65 18.476 -10.868 -6.732 511 HD2 PHE 65 HD2 PHE 65 15.436 -10.913 -3.730 512 HE1 PHE 65 HE1 PHE 65 16.878 -11.805 -8.367 513 HE2 PHE 65 HE2 PHE 65 13.836 -11.854 -5.362 514 HZ PHE 65 HZ PHE 65 14.557 -12.299 -7.683 515 H LEU 66 H LEU 66 20.165 -8.632 -5.269 516 HA LEU 66 HA LEU 66 18.924 -7.315 -7.643 517 HB2 LEU 66 1HB LEU 66 20.320 -5.785 -6.119 518 HB3 LEU 66 2HB LEU 66 21.722 -6.718 -6.649 519 HG LEU 66 HG LEU 66 19.879 -5.184 -8.515 520 HD11 LEU 66 1HD1 LEU 66 21.710 -3.553 -8.630 521 HD12 LEU 66 2HD1 LEU 66 21.047 -3.681 -6.984 522 HD13 LEU 66 3HD1 LEU 66 22.597 -4.460 -7.383 523 HD21 LEU 66 1HD2 LEU 66 21.709 -5.565 -10.130 524 HD22 LEU 66 2HD2 LEU 66 22.597 -6.501 -8.905 525 HD23 LEU 66 3HD2 LEU 66 21.048 -7.108 -9.537 526 H TRP 67 H TRP 67 22.031 -8.775 -6.602 527 HA TRP 67 HA TRP 67 22.257 -9.997 -9.296 528 HB2 TRP 67 1HB TRP 67 24.274 -9.759 -7.028 529 HB3 TRP 67 2HB TRP 67 24.601 -10.499 -8.588 530 HD1 TRP 67 HD1 TRP 67 24.880 -7.267 -6.845 531 HE1 TRP 67 HE1 TRP 67 25.361 -5.340 -8.502 532 HE3 TRP 67 HE3 TRP 67 23.785 -9.702 -11.225 533 HZ2 TRP 67 HZ2 TRP 67 25.281 -4.935 -11.294 534 HZ3 TRP 67 HZ3 TRP 67 24.005 -8.486 -13.355 535 HH2 TRP 67 HH2 TRP 67 24.745 -6.140 -13.397 536 H VAL 68 H VAL 68 23.771 -11.340 -6.437 537 HA VAL 68 HA VAL 68 21.907 -13.661 -6.540 538 HB VAL 68 HB VAL 68 24.950 -13.832 -6.519 539 HG11 VAL 68 1HG1 VAL 68 24.616 -16.256 -6.588 540 HG12 VAL 68 2HG1 VAL 68 23.953 -15.534 -5.103 541 HG13 VAL 68 3HG1 VAL 68 22.861 -16.018 -6.423 542 HG21 VAL 68 1HG2 VAL 68 24.639 -14.956 -8.702 543 HG22 VAL 68 2HG2 VAL 68 22.886 -14.671 -8.598 544 HG23 VAL 68 3HG2 VAL 68 24.006 -13.294 -8.737 545 H VAL 69 H VAL 69 24.873 -12.599 -4.818 546 HA VAL 69 HA VAL 69 24.123 -13.648 -2.291 547 HB VAL 69 HB VAL 69 26.423 -12.846 -2.969 548 HG11 VAL 69 1HG1 VAL 69 26.948 -10.469 -2.722 549 HG12 VAL 69 2HG1 VAL 69 25.781 -10.761 -4.034 550 HG13 VAL 69 3HG1 VAL 69 25.222 -10.115 -2.471 551 HG21 VAL 69 1HG2 VAL 69 26.980 -11.949 -0.732 552 HG22 VAL 69 2HG2 VAL 69 25.253 -11.648 -0.425 553 HG23 VAL 69 3HG2 VAL 69 25.846 -13.315 -0.613 554 H LYS 70 H LYS 70 22.950 -12.912 -0.613 555 HA LYS 70 HA LYS 70 21.754 -10.187 -0.876 556 HB2 LYS 70 1HB LYS 70 20.211 -12.253 -1.354 557 HB3 LYS 70 2HB LYS 70 20.259 -12.492 0.388 558 HG2 LYS 70 1HG LYS 70 19.577 -9.752 -0.577 559 HG3 LYS 70 2HG LYS 70 18.381 -11.031 -0.829 560 HD2 LYS 70 1HD LYS 70 18.230 -11.496 1.504 561 HD3 LYS 70 2HD LYS 70 19.697 -10.573 1.862 562 HE2 LYS 70 1HE LYS 70 18.486 -8.502 1.051 563 HE3 LYS 70 2HE LYS 70 17.016 -9.474 0.951 564 HZ1 LYS 70 1HZ LYS 70 17.160 -8.303 3.024 565 HZ2 LYS 70 2HZ LYS 70 17.226 -9.928 3.298 566 HZ3 LYS 70 3HZ LYS 70 18.599 -9.019 3.392 567 H PHE 71 H PHE 71 22.053 -8.895 0.783 568 HA PHE 71 HA PHE 71 23.016 -10.120 3.328 569 HB2 PHE 71 1HB PHE 71 23.425 -7.347 2.149 570 HB3 PHE 71 2HB PHE 71 23.883 -7.777 3.788 571 HD1 PHE 71 HD1 PHE 71 24.533 -8.478 0.216 572 HD2 PHE 71 HD2 PHE 71 25.864 -8.997 4.242 573 HE1 PHE 71 HE1 PHE 71 26.706 -9.316 -0.612 574 HE2 PHE 71 HE2 PHE 71 28.040 -9.834 3.417 575 HZ PHE 71 HZ PHE 71 28.459 -9.994 0.988 576 H ASN 72 H ASN 72 22.635 -8.220 5.143 577 HA ASN 72 HA ASN 72 19.905 -8.641 5.830 578 HB2 ASN 72 1HB ASN 72 22.022 -6.774 6.928 579 HB3 ASN 72 2HB ASN 72 20.405 -6.874 7.614 580 HD21 ASN 72 1HD2 ASN 72 22.706 -9.150 9.444 581 HD22 ASN 72 2HD2 ASN 72 22.705 -7.462 9.055 582 H SER 73 H SER 73 21.439 -6.163 3.958 583 HA SER 73 HA SER 73 18.796 -4.996 3.408 584 HB2 SER 73 1HB SER 73 19.469 -3.665 5.314 585 HB3 SER 73 2HB SER 73 21.066 -3.401 4.632 586 HG SER 73 HG SER 73 18.899 -1.999 4.291 587 H LEU 74 H LEU 74 18.668 -3.931 1.444 588 HA LEU 74 HA LEU 74 20.438 -4.338 -0.649 589 HB2 LEU 74 1HB LEU 74 18.263 -3.345 -1.006 590 HB3 LEU 74 2HB LEU 74 18.695 -1.925 -0.050 591 HG LEU 74 HG LEU 74 20.367 -1.297 -1.788 592 HD11 LEU 74 1HD1 LEU 74 20.315 -2.460 -3.949 593 HD12 LEU 74 2HD1 LEU 74 20.837 -3.539 -2.633 594 HD13 LEU 74 3HD1 LEU 74 19.182 -3.657 -3.278 595 HD21 LEU 74 1HD2 LEU 74 18.688 -0.610 -3.469 596 HD22 LEU 74 2HD2 LEU 74 17.531 -1.781 -2.791 597 HD23 LEU 74 3HD2 LEU 74 18.065 -0.391 -1.816 598 H ASN 75 H ASN 75 20.675 -1.983 1.960 599 HA ASN 75 HA ASN 75 22.657 -0.346 0.619 600 HB2 ASN 75 1HB ASN 75 21.679 -0.494 3.483 601 HB3 ASN 75 2HB ASN 75 22.936 0.621 2.964 602 HD21 ASN 75 1HD2 ASN 75 19.564 2.240 2.853 603 HD22 ASN 75 2HD2 ASN 75 20.433 1.352 4.060 604 H GLU 76 H GLU 76 22.819 -3.378 2.022 605 HA GLU 76 HA GLU 76 25.627 -3.010 2.921 606 HB2 GLU 76 1HB GLU 76 23.650 -5.300 3.247 607 HB3 GLU 76 2HB GLU 76 25.337 -5.407 3.730 608 HG2 GLU 76 1HG GLU 76 24.936 -3.403 5.217 609 HG3 GLU 76 2HG GLU 76 23.220 -3.565 4.848 610 H LEU 77 H LEU 77 23.644 -4.784 0.578 611 HA LEU 77 HA LEU 77 25.841 -6.392 -0.397 612 HB2 LEU 77 1HB LEU 77 24.316 -7.245 -1.966 613 HB3 LEU 77 2HB LEU 77 23.323 -6.882 -0.550 614 HG LEU 77 HG LEU 77 22.902 -4.596 -1.828 615 HD11 LEU 77 1HD1 LEU 77 22.864 -4.924 -4.260 616 HD12 LEU 77 2HD1 LEU 77 24.515 -5.037 -3.607 617 HD13 LEU 77 3HD1 LEU 77 23.632 -6.516 -4.058 618 HD21 LEU 77 1HD2 LEU 77 20.918 -5.655 -2.854 619 HD22 LEU 77 2HD2 LEU 77 21.658 -7.258 -2.631 620 HD23 LEU 77 3HD2 LEU 77 21.203 -6.284 -1.213 621 H VAL 78 H VAL 78 24.505 -3.246 -1.203 622 HA VAL 78 HA VAL 78 26.060 -2.901 -3.618 623 HB VAL 78 HB VAL 78 25.491 -0.516 -3.378 624 HG11 VAL 78 1HG1 VAL 78 23.053 -0.714 -3.398 625 HG12 VAL 78 2HG1 VAL 78 23.833 -2.010 -4.334 626 HG13 VAL 78 3HG1 VAL 78 23.180 -2.352 -2.714 627 HG21 VAL 78 1HG2 VAL 78 24.193 0.251 -1.416 628 HG22 VAL 78 2HG2 VAL 78 24.364 -1.358 -0.676 629 HG23 VAL 78 3HG2 VAL 78 25.800 -0.340 -0.933 630 H ASP 79 H ASP 79 26.655 -2.494 -0.181 631 HA ASP 79 HA ASP 79 29.214 -1.169 -0.526 632 HB2 ASP 79 1HB ASP 79 27.847 -1.141 1.599 633 HB3 ASP 79 2HB ASP 79 28.242 -2.839 1.826 634 H TYR 80 H TYR 80 28.189 -4.552 0.028 635 HA TYR 80 HA TYR 80 30.698 -5.796 -0.262 636 HB2 TYR 80 1HB TYR 80 28.680 -7.051 0.318 637 HB3 TYR 80 2HB TYR 80 27.960 -6.691 -1.244 638 HD1 TYR 80 HD1 TYR 80 30.851 -8.420 0.355 639 HD2 TYR 80 HD2 TYR 80 28.301 -8.093 -3.081 640 HE1 TYR 80 HE1 TYR 80 31.847 -10.479 -0.582 641 HE2 TYR 80 HE2 TYR 80 29.298 -10.152 -4.017 642 HH TYR 80 HH TYR 80 31.831 -11.930 -2.264 643 H HIS 81 H HIS 81 28.405 -4.756 -2.793 644 HA HIS 81 HA HIS 81 30.408 -5.386 -4.881 645 HB2 HIS 81 1HB HIS 81 27.548 -4.375 -4.980 646 HB3 HIS 81 2HB HIS 81 28.570 -4.491 -6.405 647 HD2 HIS 81 HD2 HIS 81 26.069 -6.753 -4.526 648 HE1 HIS 81 HE1 HIS 81 28.651 -9.290 -6.750 649 H ARG 82 H ARG 82 30.301 -3.008 -2.737 650 HA ARG 82 HA ARG 82 31.216 -0.950 -4.649 651 HB2 ARG 82 1HB ARG 82 30.072 -0.208 -2.616 652 HB3 ARG 82 2HB ARG 82 31.247 -1.046 -1.612 653 HG2 ARG 82 1HG ARG 82 33.015 0.455 -2.375 654 HG3 ARG 82 2HG ARG 82 31.863 1.281 -3.451 655 HD2 ARG 82 1HD ARG 82 32.155 2.550 -1.448 656 HD3 ARG 82 2HD ARG 82 30.512 1.867 -1.483 657 HE ARG 82 HE ARG 82 31.015 0.569 0.352 658 HH11 ARG 82 1HH1 ARG 82 33.957 2.016 -0.909 659 HH12 ARG 82 2HH1 ARG 82 34.924 1.556 0.475 660 HH21 ARG 82 1HH2 ARG 82 32.280 -0.022 2.141 661 HH22 ARG 82 2HH2 ARG 82 33.976 0.402 2.202 662 H SER 83 H SER 83 32.565 -3.082 -2.116 663 HA SER 83 HA SER 83 35.301 -2.389 -2.617 664 HB2 SER 83 1HB SER 83 34.051 -4.894 -1.445 665 HB3 SER 83 2HB SER 83 35.775 -4.555 -1.444 666 HG SER 83 HG SER 83 33.691 -3.228 -0.144 667 H THR 84 H THR 84 33.150 -4.895 -3.923 668 HA THR 84 HA THR 84 35.266 -5.482 -5.954 669 HB THR 84 HB THR 84 33.162 -7.384 -4.835 670 HG1 THR 84 HG1 THR 84 34.921 -8.374 -3.875 671 HG21 THR 84 1HG2 THR 84 34.289 -9.075 -6.229 672 HG22 THR 84 2HG2 THR 84 33.617 -7.769 -7.233 673 HG23 THR 84 3HG2 THR 84 35.362 -7.820 -6.891 674 H SER 85 H SER 85 34.758 -5.384 -8.052 675 HA SER 85 HA SER 85 32.535 -3.879 -8.902 676 HB2 SER 85 1HB SER 85 34.422 -4.039 -10.339 677 HB3 SER 85 2HB SER 85 34.377 -5.795 -10.344 678 HG SER 85 HG SER 85 33.209 -5.615 -12.003 679 H VAL 86 H VAL 86 30.619 -4.373 -9.964 680 HA VAL 86 HA VAL 86 29.225 -6.678 -8.965 681 HB VAL 86 HB VAL 86 27.379 -5.922 -10.418 682 HG11 VAL 86 1HG1 VAL 86 27.095 -3.675 -9.494 683 HG12 VAL 86 2HG1 VAL 86 27.704 -4.823 -8.278 684 HG13 VAL 86 3HG1 VAL 86 28.812 -3.649 -9.030 685 HG21 VAL 86 1HG2 VAL 86 27.699 -3.955 -11.884 686 HG22 VAL 86 2HG2 VAL 86 29.435 -3.947 -11.492 687 HG23 VAL 86 3HG2 VAL 86 28.732 -5.312 -12.392 688 H SER 87 H SER 87 31.342 -6.232 -11.610 689 HA SER 87 HA SER 87 30.567 -8.841 -12.759 690 HB2 SER 87 1HB SER 87 29.164 -7.368 -14.035 691 HB3 SER 87 2HB SER 87 30.471 -6.218 -14.272 692 HG SER 87 HG SER 87 29.852 -7.936 -15.920 693 H ARG 88 H ARG 88 32.175 -9.845 -13.952 694 HA ARG 88 HA ARG 88 34.887 -8.923 -13.472 695 HB2 ARG 88 1HB ARG 88 33.767 -11.210 -15.122 696 HB3 ARG 88 2HB ARG 88 35.486 -10.904 -14.923 697 HG2 ARG 88 1HG ARG 88 35.288 -11.249 -12.505 698 HG3 ARG 88 2HG ARG 88 33.540 -11.531 -12.689 699 HD2 ARG 88 1HD ARG 88 33.998 -13.437 -14.118 700 HD3 ARG 88 2HD ARG 88 35.744 -13.154 -13.937 701 HE ARG 88 HE ARG 88 34.681 -13.362 -11.360 702 HH11 ARG 88 1HH1 ARG 88 35.028 -15.380 -14.213 703 HH12 ARG 88 2HH1 ARG 88 35.112 -16.871 -13.302 704 HH21 ARG 88 1HH2 ARG 88 34.791 -15.302 -10.188 705 HH22 ARG 88 2HH2 ARG 88 34.978 -16.828 -11.024 706 H ASN 89 H ASN 89 32.531 -8.385 -15.906 707 HA ASN 89 HA ASN 89 34.641 -7.626 -17.875 708 HB2 ASN 89 1HB ASN 89 31.698 -8.257 -18.275 709 HB3 ASN 89 2HB ASN 89 32.783 -7.705 -19.544 710 HD21 ASN 89 1HD2 ASN 89 32.445 -11.513 -19.194 711 HD22 ASN 89 2HD2 ASN 89 31.260 -10.266 -18.990 712 H GLN 90 H GLN 90 31.864 -6.466 -16.064 713 HA GLN 90 HA GLN 90 32.345 -3.751 -17.213 714 HB2 GLN 90 1HB GLN 90 29.883 -4.739 -15.721 715 HB3 GLN 90 2HB GLN 90 30.072 -3.188 -16.527 716 HG2 GLN 90 1HG GLN 90 30.330 -4.414 -18.694 717 HG3 GLN 90 2HG GLN 90 29.927 -5.916 -17.817 718 HE21 GLN 90 1HE2 GLN 90 26.998 -3.747 -19.332 719 HE22 GLN 90 2HE2 GLN 90 28.650 -3.755 -19.852 720 H GLN 91 H GLN 91 33.859 -2.823 -15.964 721 HA GLN 91 HA GLN 91 34.131 -3.580 -13.176 722 HB2 GLN 91 1HB GLN 91 35.554 -1.471 -14.850 723 HB3 GLN 91 2HB GLN 91 35.993 -1.883 -13.198 724 HG2 GLN 91 1HG GLN 91 35.944 -3.909 -15.437 725 HG3 GLN 91 2HG GLN 91 37.380 -2.942 -15.000 726 HE21 GLN 91 1HE2 GLN 91 36.591 -6.348 -13.076 727 HE22 GLN 91 2HE2 GLN 91 35.874 -5.867 -14.577 728 H ILE 92 H ILE 92 31.956 -2.924 -12.514 729 HA ILE 92 HA ILE 92 31.785 0.023 -12.046 730 HB ILE 92 HB ILE 92 29.517 -2.007 -12.236 731 HG12 ILE 92 1HG1 ILE 92 30.408 0.150 -14.164 732 HG13 ILE 92 2HG1 ILE 92 30.561 -1.584 -14.403 733 HG21 ILE 92 1HG2 ILE 92 28.062 -0.024 -12.142 734 HG22 ILE 92 2HG2 ILE 92 29.042 -0.168 -10.665 735 HG23 ILE 92 3HG2 ILE 92 29.487 1.017 -11.915 736 HD11 ILE 92 1HD1 ILE 92 28.665 -0.693 -15.637 737 HD12 ILE 92 2HD1 ILE 92 28.115 -1.817 -14.370 738 HD13 ILE 92 3HD1 ILE 92 27.960 -0.061 -14.131 739 H PHE 93 H PHE 93 31.974 0.700 -10.042 740 HA PHE 93 HA PHE 93 31.521 -1.291 -7.857 741 HB2 PHE 93 1HB PHE 93 33.429 1.079 -7.824 742 HB3 PHE 93 2HB PHE 93 33.247 -0.137 -6.571 743 HD1 PHE 93 HD1 PHE 93 34.196 0.275 -10.150 744 HD2 PHE 93 HD2 PHE 93 34.555 -2.062 -6.592 745 HE1 PHE 93 HE1 PHE 93 35.946 -1.096 -11.230 746 HE2 PHE 93 HE2 PHE 93 36.308 -3.434 -7.668 747 HZ PHE 93 HZ PHE 93 37.002 -2.952 -9.988 748 H LEU 94 H LEU 94 29.855 -0.875 -6.595 749 HA LEU 94 HA LEU 94 28.341 1.552 -7.049 750 HB2 LEU 94 1HB LEU 94 27.941 -0.737 -5.091 751 HB3 LEU 94 2HB LEU 94 26.777 0.563 -5.368 752 HG LEU 94 HG LEU 94 27.604 -1.633 -7.286 753 HD11 LEU 94 1HD1 LEU 94 25.199 -2.119 -7.234 754 HD12 LEU 94 2HD1 LEU 94 25.922 -2.201 -5.610 755 HD13 LEU 94 3HD1 LEU 94 24.954 -0.785 -6.084 756 HD21 LEU 94 1HD2 LEU 94 26.131 -0.522 -8.930 757 HD22 LEU 94 2HD2 LEU 94 25.898 0.837 -7.804 758 HD23 LEU 94 3HD2 LEU 94 27.508 0.521 -8.496 759 H ARG 95 H ARG 95 29.837 3.166 -6.342 760 HA ARG 95 HA ARG 95 30.657 3.158 -3.527 761 HB2 ARG 95 1HB ARG 95 31.076 5.133 -5.791 762 HB3 ARG 95 2HB ARG 95 31.670 5.394 -4.158 763 HG2 ARG 95 1HG ARG 95 33.120 3.470 -4.308 764 HG3 ARG 95 2HG ARG 95 32.429 3.028 -5.889 765 HD2 ARG 95 1HD ARG 95 34.549 4.126 -6.165 766 HD3 ARG 95 2HD ARG 95 33.237 5.142 -6.808 767 HE ARG 95 HE ARG 95 33.613 6.697 -5.132 768 HH11 ARG 95 1HH1 ARG 95 35.553 3.820 -4.588 769 HH12 ARG 95 2HH1 ARG 95 36.557 4.576 -3.369 770 HH21 ARG 95 1HH2 ARG 95 34.921 7.666 -3.549 771 HH22 ARG 95 2HH2 ARG 95 36.199 6.753 -2.781 772 H ASP 96 H ASP 96 30.120 4.726 -1.983 773 HA ASP 96 HA ASP 96 27.439 5.689 -1.964 774 HB2 ASP 96 1HB ASP 96 29.889 6.515 -0.362 775 HB3 ASP 96 2HB ASP 96 28.278 7.147 -0.053 Start of MODEL 9 1 H1 MET 1 1H MET 1 -1.847 1.401 -0.992 2 H2 MET 1 2H MET 1 -1.503 2.818 -0.259 3 H3 MET 1 3H MET 1 -1.297 2.663 -1.870 4 HA MET 1 HA MET 1 0.192 1.266 0.204 5 HB2 MET 1 1HB MET 1 -0.151 -0.108 -1.825 6 HB3 MET 1 2HB MET 1 0.465 1.198 -2.828 7 HG2 MET 1 1HG MET 1 2.671 0.996 -1.814 8 HG3 MET 1 2HG MET 1 2.074 -0.230 -0.692 9 HE1 MET 1 1HE MET 1 4.437 -2.178 -3.203 10 HE2 MET 1 2HE MET 1 4.626 -0.484 -2.688 11 HE3 MET 1 3HE MET 1 4.163 -1.730 -1.502 12 H LYS 2 H LYS 2 1.084 2.941 1.260 13 HA LYS 2 HA LYS 2 2.100 5.298 -0.022 14 HB2 LYS 2 1HB LYS 2 1.522 5.174 2.397 15 HB3 LYS 2 2HB LYS 2 2.866 4.072 2.659 16 HG2 LYS 2 1HG LYS 2 4.458 5.821 2.000 17 HG3 LYS 2 2HG LYS 2 3.118 6.931 1.681 18 HD2 LYS 2 1HD LYS 2 2.422 6.784 4.046 19 HD3 LYS 2 2HD LYS 2 3.747 5.657 4.369 20 HE2 LYS 2 1HE LYS 2 5.385 7.393 3.718 21 HE3 LYS 2 2HE LYS 2 4.065 8.519 3.390 22 HZ1 LYS 2 1HZ LYS 2 5.004 8.867 5.556 23 HZ2 LYS 2 2HZ LYS 2 3.438 8.367 5.702 24 HZ3 LYS 2 3HZ LYS 2 4.672 7.316 6.008 25 HA PRO 3 HA PRO 3 5.726 3.520 -1.687 26 HB2 PRO 3 1HB PRO 3 6.806 5.779 -2.789 27 HB3 PRO 3 2HB PRO 3 5.365 5.011 -3.465 28 HG2 PRO 3 1HG PRO 3 5.547 7.383 -1.557 29 HG3 PRO 3 2HG PRO 3 4.606 7.249 -3.045 30 HD2 PRO 3 1HD PRO 3 3.474 6.802 -0.605 31 HD3 PRO 3 2HD PRO 3 2.968 5.867 -2.069 32 H HIS 4 H HIS 4 8.131 3.866 -1.542 33 HA HIS 4 HA HIS 4 8.844 4.377 1.244 34 HB2 HIS 4 1HB HIS 4 10.445 3.528 -1.191 35 HB3 HIS 4 2HB HIS 4 11.177 3.806 0.384 36 HD2 HIS 4 HD2 HIS 4 8.803 1.210 -1.360 37 HE1 HIS 4 HE1 HIS 4 9.992 -0.331 2.432 38 HA PRO 5 HA PRO 5 10.188 8.503 0.608 39 HB2 PRO 5 1HB PRO 5 11.265 8.997 3.051 40 HB3 PRO 5 2HB PRO 5 9.521 8.779 2.855 41 HG2 PRO 5 1HG PRO 5 11.610 6.755 3.765 42 HG3 PRO 5 2HG PRO 5 10.050 7.123 4.504 43 HD2 PRO 5 1HD PRO 5 10.404 5.010 2.775 44 HD3 PRO 5 2HD PRO 5 8.837 5.902 2.915 45 H TRP 6 H TRP 6 12.082 5.726 0.923 46 HA TRP 6 HA TRP 6 14.657 6.739 1.542 47 HB2 TRP 6 1HB TRP 6 13.803 4.324 -0.097 48 HB3 TRP 6 2HB TRP 6 15.472 4.651 0.343 49 HD1 TRP 6 HD1 TRP 6 12.594 2.742 1.517 50 HE1 TRP 6 HE1 TRP 6 12.844 2.044 3.995 51 HE3 TRP 6 HE3 TRP 6 16.448 5.860 2.828 52 HZ2 TRP 6 HZ2 TRP 6 14.474 2.738 6.192 53 HZ3 TRP 6 HZ3 TRP 6 17.306 5.796 5.135 54 HH2 TRP 6 HH2 TRP 6 16.341 4.259 6.796 55 H PHE 7 H PHE 7 16.369 7.455 0.346 56 HA PHE 7 HA PHE 7 17.303 8.788 -1.284 57 HB2 PHE 7 1HB PHE 7 16.148 6.443 -2.710 58 HB3 PHE 7 2HB PHE 7 16.543 7.822 -3.723 59 HD1 PHE 7 HD1 PHE 7 17.901 5.274 -1.445 60 HD2 PHE 7 HD2 PHE 7 18.819 8.484 -4.110 61 HE1 PHE 7 HE1 PHE 7 20.275 4.586 -1.451 62 HE2 PHE 7 HE2 PHE 7 21.193 7.797 -4.122 63 HZ PHE 7 HZ PHE 7 21.922 5.848 -2.791 64 H PHE 8 H PHE 8 14.770 8.093 -3.573 65 HA PHE 8 HA PHE 8 13.788 10.891 -3.250 66 HB2 PHE 8 1HB PHE 8 14.779 9.575 -5.808 67 HB3 PHE 8 2HB PHE 8 13.856 11.069 -5.775 68 HD1 PHE 8 HD1 PHE 8 17.047 9.493 -4.783 69 HD2 PHE 8 HD2 PHE 8 14.868 13.144 -5.209 70 HE1 PHE 8 HE1 PHE 8 19.137 10.775 -4.470 71 HE2 PHE 8 HE2 PHE 8 16.956 14.429 -4.899 72 HZ PHE 8 HZ PHE 8 19.091 13.244 -4.528 73 H GLY 9 H GLY 9 12.817 7.967 -2.854 74 HA2 GLY 9 1HA GLY 9 10.809 6.829 -3.082 75 HA3 GLY 9 2HA GLY 9 10.077 8.389 -3.408 76 H LYS 10 H LYS 10 8.997 8.438 -5.266 77 HA LYS 10 HA LYS 10 9.733 6.547 -7.417 78 HB2 LYS 10 1HB LYS 10 7.364 8.450 -7.240 79 HB3 LYS 10 2HB LYS 10 7.584 7.164 -8.418 80 HG2 LYS 10 1HG LYS 10 7.341 6.694 -5.433 81 HG3 LYS 10 2HG LYS 10 5.990 6.626 -6.573 82 HD2 LYS 10 1HD LYS 10 7.308 4.880 -7.869 83 HD3 LYS 10 2HD LYS 10 8.453 4.850 -6.521 84 HE2 LYS 10 1HE LYS 10 6.733 3.056 -6.373 85 HE3 LYS 10 2HE LYS 10 6.713 4.141 -4.981 86 HZ1 LYS 10 1HZ LYS 10 4.511 3.688 -5.779 87 HZ2 LYS 10 2HZ LYS 10 4.856 5.289 -5.977 88 HZ3 LYS 10 3HZ LYS 10 4.874 4.275 -7.277 89 H ILE 11 H ILE 11 11.743 8.243 -7.272 90 HA ILE 11 HA ILE 11 11.477 10.530 -8.997 91 HB ILE 11 HB ILE 11 13.412 9.968 -7.369 92 HG12 ILE 11 1HG1 ILE 11 14.018 10.936 -10.173 93 HG13 ILE 11 2HG1 ILE 11 13.379 11.911 -8.859 94 HG21 ILE 11 1HG2 ILE 11 15.300 8.762 -8.391 95 HG22 ILE 11 2HG2 ILE 11 13.875 7.708 -8.242 96 HG23 ILE 11 3HG2 ILE 11 14.303 8.405 -9.821 97 HD11 ILE 11 1HD1 ILE 11 15.768 12.270 -9.136 98 HD12 ILE 11 2HD1 ILE 11 15.427 11.523 -7.557 99 HD13 ILE 11 3HD1 ILE 11 16.076 10.537 -8.889 100 HA PRO 12 HA PRO 12 11.449 8.513 -12.943 101 HB2 PRO 12 1HB PRO 12 12.113 10.660 -14.493 102 HB3 PRO 12 2HB PRO 12 10.515 10.515 -13.750 103 HG2 PRO 12 1HG PRO 12 12.952 12.053 -12.736 104 HG3 PRO 12 2HG PRO 12 11.303 12.650 -12.952 105 HD2 PRO 12 1HD PRO 12 12.160 11.819 -10.520 106 HD3 PRO 12 2HD PRO 12 10.470 11.479 -11.071 107 H ARG 13 H ARG 13 13.026 7.578 -14.230 108 HA ARG 13 HA ARG 13 15.750 7.547 -13.510 109 HB2 ARG 13 1HB ARG 13 14.473 5.959 -15.070 110 HB3 ARG 13 2HB ARG 13 14.739 7.147 -16.337 111 HG2 ARG 13 1HG ARG 13 17.200 6.441 -14.912 112 HG3 ARG 13 2HG ARG 13 16.405 5.058 -15.704 113 HD2 ARG 13 1HD ARG 13 17.216 7.663 -16.973 114 HD3 ARG 13 2HD ARG 13 17.958 6.063 -17.211 115 HE ARG 13 HE ARG 13 15.237 5.839 -17.858 116 HH11 ARG 13 1HH1 ARG 13 18.097 7.515 -19.019 117 HH12 ARG 13 2HH1 ARG 13 17.554 7.552 -20.681 118 HH21 ARG 13 1HH2 ARG 13 14.542 5.894 -20.019 119 HH22 ARG 13 2HH2 ARG 13 15.542 6.635 -21.249 120 H ALA 14 H ALA 14 14.000 9.643 -15.780 121 HA ALA 14 HA ALA 14 15.979 11.108 -16.975 122 HB1 ALA 14 1HB ALA 14 14.520 13.093 -16.754 123 HB2 ALA 14 2HB ALA 14 13.593 11.637 -17.191 124 HB3 ALA 14 3HB ALA 14 13.563 12.243 -15.518 125 H LYS 15 H LYS 15 14.776 11.835 -13.668 126 HA LYS 15 HA LYS 15 16.704 13.968 -13.387 127 HB2 LYS 15 1HB LYS 15 14.360 13.668 -12.260 128 HB3 LYS 15 2HB LYS 15 15.224 12.693 -11.078 129 HG2 LYS 15 1HG LYS 15 15.073 14.881 -10.182 130 HG3 LYS 15 2HG LYS 15 16.754 14.671 -10.697 131 HD2 LYS 15 1HD LYS 15 16.190 15.842 -12.845 132 HD3 LYS 15 2HD LYS 15 14.567 16.146 -12.207 133 HE2 LYS 15 1HE LYS 15 15.454 17.483 -10.396 134 HE3 LYS 15 2HE LYS 15 17.112 17.039 -10.810 135 HZ1 LYS 15 1HZ LYS 15 16.549 19.209 -11.626 136 HZ2 LYS 15 2HZ LYS 15 16.839 18.195 -12.895 137 HZ3 LYS 15 3HZ LYS 15 15.290 18.611 -12.508 138 H ALA 16 H ALA 16 16.538 10.607 -12.305 139 HA ALA 16 HA ALA 16 18.583 10.803 -10.329 140 HB1 ALA 16 1HB ALA 16 18.679 8.337 -10.489 141 HB2 ALA 16 2HB ALA 16 17.001 8.929 -10.416 142 HB3 ALA 16 3HB ALA 16 17.692 8.402 -11.968 143 H GLU 17 H GLU 17 18.692 10.032 -13.791 144 HA GLU 17 HA GLU 17 21.544 9.515 -13.792 145 HB2 GLU 17 1HB GLU 17 19.582 10.151 -16.030 146 HB3 GLU 17 2HB GLU 17 21.273 9.750 -16.299 147 HG2 GLU 17 1HG GLU 17 20.820 7.574 -15.056 148 HG3 GLU 17 2HG GLU 17 19.109 7.984 -15.157 149 H GLU 18 H GLU 18 19.489 12.326 -14.497 150 HA GLU 18 HA GLU 18 21.519 14.080 -15.405 151 HB2 GLU 18 1HB GLU 18 19.069 14.554 -15.497 152 HB3 GLU 18 2HB GLU 18 19.053 14.756 -13.751 153 HG2 GLU 18 1HG GLU 18 20.635 16.651 -13.976 154 HG3 GLU 18 2HG GLU 18 20.581 16.463 -15.727 155 H MET 19 H MET 19 20.339 13.444 -12.095 156 HA MET 19 HA MET 19 22.105 15.263 -10.791 157 HB2 MET 19 1HB MET 19 20.603 12.788 -9.926 158 HB3 MET 19 2HB MET 19 21.738 13.557 -8.827 159 HG2 MET 19 1HG MET 19 20.456 15.700 -9.103 160 HG3 MET 19 2HG MET 19 19.267 14.806 -10.053 161 HE1 MET 19 1HE MET 19 17.424 12.606 -7.557 162 HE2 MET 19 2HE MET 19 17.357 13.479 -9.108 163 HE3 MET 19 3HE MET 19 18.567 12.197 -8.858 164 H LEU 20 H LEU 20 22.471 11.842 -11.679 165 HA LEU 20 HA LEU 20 25.014 11.460 -10.448 166 HB2 LEU 20 1HB LEU 20 23.676 10.150 -12.834 167 HB3 LEU 20 2HB LEU 20 25.247 9.629 -12.215 168 HG LEU 20 HG LEU 20 22.691 9.642 -10.574 169 HD11 LEU 20 1HD1 LEU 20 22.686 7.216 -10.942 170 HD12 LEU 20 2HD1 LEU 20 22.503 8.112 -12.467 171 HD13 LEU 20 3HD1 LEU 20 24.070 7.380 -12.047 172 HD21 LEU 20 1HD2 LEU 20 24.029 8.209 -9.069 173 HD22 LEU 20 2HD2 LEU 20 25.434 8.388 -10.148 174 HD23 LEU 20 3HD2 LEU 20 24.792 9.803 -9.281 175 H SER 21 H SER 21 24.083 12.617 -13.679 176 HA SER 21 HA SER 21 26.744 12.618 -14.746 177 HB2 SER 21 1HB SER 21 25.806 13.961 -16.546 178 HB3 SER 21 2HB SER 21 24.712 12.646 -16.143 179 HG SER 21 HG SER 21 23.930 14.457 -14.594 180 H LYS 22 H LYS 22 24.989 14.844 -12.708 181 HA LYS 22 HA LYS 22 27.060 16.907 -12.921 182 HB2 LYS 22 1HB LYS 22 24.756 16.488 -10.977 183 HB3 LYS 22 2HB LYS 22 25.874 17.842 -10.881 184 HG2 LYS 22 1HG LYS 22 25.179 18.568 -13.145 185 HG3 LYS 22 2HG LYS 22 24.034 17.221 -13.211 186 HD2 LYS 22 1HD LYS 22 22.871 18.108 -11.216 187 HD3 LYS 22 2HD LYS 22 24.019 19.453 -11.144 188 HE2 LYS 22 1HE LYS 22 23.288 20.190 -13.395 189 HE3 LYS 22 2HE LYS 22 22.131 18.857 -13.453 190 HZ1 LYS 22 1HZ LYS 22 21.096 20.894 -12.767 191 HZ2 LYS 22 2HZ LYS 22 21.039 19.800 -11.535 192 HZ3 LYS 22 3HZ LYS 22 22.119 21.045 -11.482 193 H GLN 23 H GLN 23 26.341 14.116 -10.904 194 HA GLN 23 HA GLN 23 28.477 14.722 -9.006 195 HB2 GLN 23 1HB GLN 23 26.617 13.452 -8.167 196 HB3 GLN 23 2HB GLN 23 26.725 12.287 -9.480 197 HG2 GLN 23 1HG GLN 23 27.567 11.333 -7.428 198 HG3 GLN 23 2HG GLN 23 28.894 11.510 -8.610 199 HE21 GLN 23 1HE2 GLN 23 28.893 13.564 -5.064 200 HE22 GLN 23 2HE2 GLN 23 27.494 12.693 -5.600 201 H ARG 24 H ARG 24 30.535 14.621 -9.553 202 HA ARG 24 HA ARG 24 31.268 13.152 -11.984 203 HB2 ARG 24 1HB ARG 24 32.995 14.851 -10.151 204 HB3 ARG 24 2HB ARG 24 33.428 14.280 -11.755 205 HG2 ARG 24 1HG ARG 24 31.104 16.139 -11.209 206 HG3 ARG 24 2HG ARG 24 32.744 16.672 -11.649 207 HD2 ARG 24 1HD ARG 24 31.015 14.836 -13.291 208 HD3 ARG 24 2HD ARG 24 31.205 16.586 -13.551 209 HE ARG 24 HE ARG 24 33.761 15.363 -13.493 210 HH11 ARG 24 1HH1 ARG 24 30.886 15.562 -15.501 211 HH12 ARG 24 2HH1 ARG 24 31.757 15.289 -16.994 212 HH21 ARG 24 1HH2 ARG 24 34.881 15.010 -15.436 213 HH22 ARG 24 2HH2 ARG 24 34.019 14.976 -16.958 214 H HIS 25 H HIS 25 30.926 12.250 -8.852 215 HA HIS 25 HA HIS 25 33.334 10.560 -8.664 216 HB2 HIS 25 1HB HIS 25 32.478 11.423 -6.586 217 HB3 HIS 25 2HB HIS 25 30.854 10.853 -6.941 218 HD2 HIS 25 HD2 HIS 25 30.346 8.546 -5.391 219 HE1 HIS 25 HE1 HIS 25 34.322 7.055 -5.498 220 H ASP 26 H ASP 26 33.384 9.092 -10.272 221 HA ASP 26 HA ASP 26 31.138 7.545 -11.134 222 HB2 ASP 26 1HB ASP 26 34.139 7.176 -11.324 223 HB3 ASP 26 2HB ASP 26 33.040 5.927 -11.895 224 H GLY 27 H GLY 27 30.550 5.404 -10.710 225 HA2 GLY 27 1HA GLY 27 30.513 3.453 -9.293 226 HA3 GLY 27 2HA GLY 27 31.491 4.302 -8.109 227 H ALA 28 H ALA 28 29.741 6.768 -8.537 228 HA ALA 28 HA ALA 28 27.916 6.302 -6.388 229 HB1 ALA 28 1HB ALA 28 27.025 8.540 -6.948 230 HB2 ALA 28 2HB ALA 28 28.804 8.531 -6.902 231 HB3 ALA 28 3HB ALA 28 27.954 8.522 -8.464 232 H PHE 29 H PHE 29 25.634 6.307 -6.357 233 HA PHE 29 HA PHE 29 24.305 5.487 -8.869 234 HB2 PHE 29 1HB PHE 29 23.468 3.390 -7.867 235 HB3 PHE 29 2HB PHE 29 25.218 3.380 -8.016 236 HD1 PHE 29 HD1 PHE 29 22.400 3.645 -5.661 237 HD2 PHE 29 HD2 PHE 29 26.638 3.320 -6.087 238 HE1 PHE 29 HE1 PHE 29 22.599 3.107 -3.256 239 HE2 PHE 29 HE2 PHE 29 26.841 2.779 -3.683 240 HZ PHE 29 HZ PHE 29 24.820 2.676 -2.267 241 H LEU 30 H LEU 30 21.964 5.196 -8.603 242 HA LEU 30 HA LEU 30 20.894 6.527 -6.158 243 HB2 LEU 30 1HB LEU 30 20.985 7.982 -8.311 244 HB3 LEU 30 2HB LEU 30 19.675 6.948 -8.891 245 HG LEU 30 HG LEU 30 19.325 8.226 -6.210 246 HD11 LEU 30 1HD1 LEU 30 18.562 10.314 -7.253 247 HD12 LEU 30 2HD1 LEU 30 20.295 10.031 -7.538 248 HD13 LEU 30 3HD1 LEU 30 19.117 9.724 -8.837 249 HD21 LEU 30 1HD2 LEU 30 17.001 8.358 -7.044 250 HD22 LEU 30 2HD2 LEU 30 17.534 7.742 -8.626 251 HD23 LEU 30 3HD2 LEU 30 17.639 6.703 -7.185 252 H ILE 31 H ILE 31 19.601 5.208 -5.109 253 HA ILE 31 HA ILE 31 18.250 3.034 -6.618 254 HB ILE 31 HB ILE 31 18.796 3.433 -3.651 255 HG12 ILE 31 1HG1 ILE 31 19.668 1.164 -5.435 256 HG13 ILE 31 2HG1 ILE 31 20.611 2.638 -5.280 257 HG21 ILE 31 1HG2 ILE 31 17.716 1.245 -3.318 258 HG22 ILE 31 2HG2 ILE 31 16.561 2.439 -3.955 259 HG23 ILE 31 3HG2 ILE 31 17.253 1.209 -5.037 260 HD11 ILE 31 1HD1 ILE 31 21.437 0.909 -3.785 261 HD12 ILE 31 2HD1 ILE 31 20.792 2.284 -2.856 262 HD13 ILE 31 3HD1 ILE 31 19.840 0.789 -3.013 263 H ARG 32 H ARG 32 16.123 2.942 -6.919 264 HA ARG 32 HA ARG 32 14.390 4.853 -5.453 265 HB2 ARG 32 1HB ARG 32 13.554 5.907 -7.399 266 HB3 ARG 32 2HB ARG 32 15.303 5.943 -7.568 267 HG2 ARG 32 1HG ARG 32 15.078 3.859 -9.016 268 HG3 ARG 32 2HG ARG 32 13.328 4.186 -9.021 269 HD2 ARG 32 1HD ARG 32 13.727 6.382 -9.948 270 HD3 ARG 32 2HD ARG 32 15.481 6.089 -9.913 271 HE ARG 32 HE ARG 32 13.512 4.904 -11.744 272 HH11 ARG 32 1HH1 ARG 32 16.828 5.046 -10.593 273 HH12 ARG 32 2HH1 ARG 32 17.488 4.275 -12.018 274 HH21 ARG 32 1HH2 ARG 32 14.381 3.904 -13.588 275 HH22 ARG 32 2HH2 ARG 32 16.104 3.628 -13.714 276 H GLU 33 H GLU 33 12.127 4.444 -5.688 277 HA GLU 33 HA GLU 33 11.591 1.573 -6.102 278 HB2 GLU 33 1HB GLU 33 10.752 2.779 -4.069 279 HB3 GLU 33 2HB GLU 33 9.748 3.784 -5.106 280 HG2 GLU 33 1HG GLU 33 8.537 1.773 -5.870 281 HG3 GLU 33 2HG GLU 33 9.533 0.780 -4.810 282 H SER 34 H SER 34 10.351 0.697 -7.652 283 HA SER 34 HA SER 34 9.900 2.307 -10.033 284 HB2 SER 34 1HB SER 34 10.637 0.020 -10.283 285 HB3 SER 34 2HB SER 34 9.282 -0.579 -9.338 286 HG SER 34 HG SER 34 9.190 -0.609 -11.719 287 H GLU 35 H GLU 35 8.031 3.040 -10.902 288 HA GLU 35 HA GLU 35 5.598 2.941 -9.261 289 HB2 GLU 35 1HB GLU 35 6.199 4.179 -11.976 290 HB3 GLU 35 2HB GLU 35 4.634 4.278 -11.182 291 HG2 GLU 35 1HG GLU 35 5.708 5.435 -9.267 292 HG3 GLU 35 2HG GLU 35 7.244 5.389 -10.130 293 H SER 36 H SER 36 6.924 1.381 -12.109 294 HA SER 36 HA SER 36 4.378 0.209 -12.914 295 HB2 SER 36 1HB SER 36 5.670 -0.966 -14.575 296 HB3 SER 36 2HB SER 36 6.232 0.698 -14.507 297 HG SER 36 HG SER 36 7.467 -1.642 -13.796 298 H ALA 37 H ALA 37 6.977 -0.612 -10.746 299 HA ALA 37 HA ALA 37 5.375 -2.982 -9.952 300 HB1 ALA 37 1HB ALA 37 7.442 -4.285 -9.572 301 HB2 ALA 37 2HB ALA 37 7.243 -3.848 -11.287 302 HB3 ALA 37 3HB ALA 37 8.398 -2.955 -10.269 303 HA PRO 38 HA PRO 38 6.155 -0.021 -6.523 304 HB2 PRO 38 1HB PRO 38 3.586 -1.454 -5.729 305 HB3 PRO 38 2HB PRO 38 4.019 0.247 -5.515 306 HG2 PRO 38 1HG PRO 38 2.387 -0.388 -7.513 307 HG3 PRO 38 2HG PRO 38 3.688 0.766 -7.818 308 HD2 PRO 38 1HD PRO 38 3.548 -2.193 -8.506 309 HD3 PRO 38 2HD PRO 38 4.186 -0.820 -9.497 310 H GLY 39 H GLY 39 7.185 -0.529 -4.638 311 HA2 GLY 39 1HA GLY 39 7.672 -1.880 -2.720 312 HA3 GLY 39 2HA GLY 39 6.933 -3.263 -3.508 313 H ASP 40 H ASP 40 8.453 -2.423 -6.059 314 HA ASP 40 HA ASP 40 11.046 -3.671 -5.277 315 HB2 ASP 40 1HB ASP 40 9.583 -3.551 -7.940 316 HB3 ASP 40 2HB ASP 40 11.235 -4.128 -7.774 317 H PHE 41 H PHE 41 12.977 -2.969 -6.472 318 HA PHE 41 HA PHE 41 12.877 0.002 -6.798 319 HB2 PHE 41 1HB PHE 41 14.816 -1.717 -5.221 320 HB3 PHE 41 2HB PHE 41 15.232 -0.093 -5.743 321 HD1 PHE 41 HD1 PHE 41 12.787 -2.036 -3.736 322 HD2 PHE 41 HD2 PHE 41 14.493 1.794 -4.555 323 HE1 PHE 41 HE1 PHE 41 11.657 -1.108 -1.742 324 HE2 PHE 41 HE2 PHE 41 13.367 2.725 -2.561 325 HZ PHE 41 HZ PHE 41 11.947 1.274 -1.155 326 H SER 42 H SER 42 14.414 0.952 -8.197 327 HA SER 42 HA SER 42 16.087 -0.985 -9.740 328 HB2 SER 42 1HB SER 42 15.184 1.833 -10.417 329 HB3 SER 42 2HB SER 42 16.342 0.913 -11.367 330 HG SER 42 HG SER 42 14.702 0.121 -12.287 331 H LEU 43 H LEU 43 18.280 -0.476 -10.140 332 HA LEU 43 HA LEU 43 19.409 1.604 -8.315 333 HB2 LEU 43 1HB LEU 43 19.821 -0.932 -7.801 334 HB3 LEU 43 2HB LEU 43 20.947 -0.850 -9.159 335 HG LEU 43 HG LEU 43 21.216 1.165 -6.947 336 HD11 LEU 43 1HD1 LEU 43 22.606 -0.413 -5.682 337 HD12 LEU 43 2HD1 LEU 43 20.915 -0.959 -5.781 338 HD13 LEU 43 3HD1 LEU 43 22.157 -1.713 -6.809 339 HD21 LEU 43 1HD2 LEU 43 23.596 0.916 -7.567 340 HD22 LEU 43 2HD2 LEU 43 23.161 -0.367 -8.722 341 HD23 LEU 43 3HD2 LEU 43 22.601 1.301 -8.991 342 H SER 44 H SER 44 19.931 3.269 -9.562 343 HA SER 44 HA SER 44 21.083 2.742 -12.246 344 HB2 SER 44 1HB SER 44 19.925 5.189 -10.900 345 HB3 SER 44 2HB SER 44 20.857 5.311 -12.384 346 HG SER 44 HG SER 44 19.400 4.158 -13.438 347 H VAL 45 H VAL 45 23.199 2.626 -12.455 348 HA VAL 45 HA VAL 45 24.862 3.949 -10.355 349 HB VAL 45 HB VAL 45 24.903 1.445 -10.369 350 HG11 VAL 45 1HG1 VAL 45 25.992 0.267 -12.216 351 HG12 VAL 45 2HG1 VAL 45 24.495 1.080 -12.733 352 HG13 VAL 45 3HG1 VAL 45 26.078 1.789 -13.134 353 HG21 VAL 45 1HG2 VAL 45 27.368 1.237 -10.393 354 HG22 VAL 45 2HG2 VAL 45 27.489 2.791 -11.251 355 HG23 VAL 45 3HG2 VAL 45 26.858 2.739 -9.588 356 H LYS 46 H LYS 46 26.140 5.547 -10.977 357 HA LYS 46 HA LYS 46 26.866 5.805 -13.836 358 HB2 LYS 46 1HB LYS 46 26.099 7.819 -12.599 359 HB3 LYS 46 2HB LYS 46 27.433 7.636 -11.470 360 HG2 LYS 46 1HG LYS 46 28.983 7.848 -13.507 361 HG3 LYS 46 2HG LYS 46 27.550 8.388 -14.391 362 HD2 LYS 46 1HD LYS 46 27.257 10.037 -12.358 363 HD3 LYS 46 2HD LYS 46 28.975 9.707 -12.086 364 HE2 LYS 46 1HE LYS 46 29.418 10.350 -14.473 365 HE3 LYS 46 2HE LYS 46 27.720 10.808 -14.625 366 HZ1 LYS 46 1HZ LYS 46 29.098 12.688 -14.121 367 HZ2 LYS 46 2HZ LYS 46 28.055 12.413 -12.873 368 HZ3 LYS 46 3HZ LYS 46 29.642 11.986 -12.732 369 H PHE 47 H PHE 47 28.346 4.209 -14.238 370 HA PHE 47 HA PHE 47 31.016 4.905 -13.097 371 HB2 PHE 47 1HB PHE 47 30.010 2.578 -12.442 372 HB3 PHE 47 2HB PHE 47 30.372 2.126 -14.102 373 HD1 PHE 47 HD1 PHE 47 32.747 2.259 -14.922 374 HD2 PHE 47 HD2 PHE 47 31.701 2.680 -10.801 375 HE1 PHE 47 HE1 PHE 47 35.082 1.765 -14.280 376 HE2 PHE 47 HE2 PHE 47 34.037 2.189 -10.155 377 HZ PHE 47 HZ PHE 47 35.727 1.730 -11.897 378 H GLY 48 H GLY 48 32.098 5.955 -14.600 379 HA2 GLY 48 1HA GLY 48 33.454 5.793 -16.596 380 HA3 GLY 48 2HA GLY 48 32.258 4.729 -17.312 381 H ASN 49 H ASN 49 31.480 7.716 -15.583 382 HA ASN 49 HA ASN 49 30.324 9.590 -16.253 383 HB2 ASN 49 1HB ASN 49 32.542 9.709 -17.646 384 HB3 ASN 49 2HB ASN 49 31.505 9.314 -19.009 385 HD21 ASN 49 1HD2 ASN 49 30.987 12.719 -19.422 386 HD22 ASN 49 2HD2 ASN 49 31.608 11.233 -20.060 387 H ASP 50 H ASP 50 29.231 6.850 -16.739 388 HA ASP 50 HA ASP 50 26.812 7.904 -17.990 389 HB2 ASP 50 1HB ASP 50 28.350 6.896 -19.859 390 HB3 ASP 50 2HB ASP 50 27.888 5.340 -19.183 391 H VAL 51 H VAL 51 24.988 6.341 -17.847 392 HA VAL 51 HA VAL 51 25.304 5.050 -15.172 393 HB VAL 51 HB VAL 51 22.791 6.252 -16.407 394 HG11 VAL 51 1HG1 VAL 51 21.907 6.123 -14.130 395 HG12 VAL 51 2HG1 VAL 51 22.341 4.520 -14.767 396 HG13 VAL 51 3HG1 VAL 51 23.407 5.329 -13.594 397 HG21 VAL 51 1HG2 VAL 51 23.174 8.133 -14.846 398 HG22 VAL 51 2HG2 VAL 51 24.714 7.398 -14.340 399 HG23 VAL 51 3HG2 VAL 51 24.511 7.980 -16.010 400 H GLN 52 H GLN 52 24.916 2.950 -14.975 401 HA GLN 52 HA GLN 52 23.255 1.623 -17.068 402 HB2 GLN 52 1HB GLN 52 25.320 0.567 -15.112 403 HB3 GLN 52 2HB GLN 52 24.184 -0.503 -15.922 404 HG2 GLN 52 1HG GLN 52 25.022 0.394 -18.116 405 HG3 GLN 52 2HG GLN 52 26.291 1.245 -17.192 406 HE21 GLN 52 1HE2 GLN 52 26.333 -2.889 -17.082 407 HE22 GLN 52 2HE2 GLN 52 24.830 -2.032 -16.989 408 H HIS 53 H HIS 53 21.503 0.359 -16.544 409 HA HIS 53 HA HIS 53 20.325 1.035 -13.881 410 HB2 HIS 53 1HB HIS 53 18.980 1.866 -15.696 411 HB3 HIS 53 2HB HIS 53 19.062 0.331 -16.548 412 HD2 HIS 53 HD2 HIS 53 16.295 2.041 -14.803 413 HE1 HIS 53 HE1 HIS 53 16.037 -1.973 -13.437 414 H PHE 54 H PHE 54 20.365 -0.475 -12.403 415 HA PHE 54 HA PHE 54 20.184 -3.319 -13.282 416 HB2 PHE 54 1HB PHE 54 20.913 -2.257 -10.527 417 HB3 PHE 54 2HB PHE 54 21.063 -3.911 -11.099 418 HD1 PHE 54 HD1 PHE 54 22.106 -2.936 -13.926 419 HD2 PHE 54 HD2 PHE 54 23.246 -2.174 -9.880 420 HE1 PHE 54 HE1 PHE 54 24.419 -2.473 -14.666 421 HE2 PHE 54 HE2 PHE 54 25.559 -1.707 -10.617 422 HZ PHE 54 HZ PHE 54 26.146 -1.858 -13.011 423 H LYS 55 H LYS 55 18.941 -4.770 -11.802 424 HA LYS 55 HA LYS 55 16.387 -3.400 -11.069 425 HB2 LYS 55 1HB LYS 55 15.251 -5.521 -11.656 426 HB3 LYS 55 2HB LYS 55 16.104 -4.831 -13.030 427 HG2 LYS 55 1HG LYS 55 18.039 -6.437 -12.353 428 HG3 LYS 55 2HG LYS 55 16.795 -7.272 -11.412 429 HD2 LYS 55 1HD LYS 55 15.397 -7.240 -13.595 430 HD3 LYS 55 2HD LYS 55 16.918 -6.835 -14.404 431 HE2 LYS 55 1HE LYS 55 17.957 -8.877 -13.458 432 HE3 LYS 55 2HE LYS 55 16.432 -9.286 -12.670 433 HZ1 LYS 55 1HZ LYS 55 16.701 -10.453 -14.733 434 HZ2 LYS 55 2HZ LYS 55 15.416 -9.424 -14.841 435 HZ3 LYS 55 3HZ LYS 55 16.843 -9.042 -15.576 436 H VAL 56 H VAL 56 15.919 -3.371 -9.009 437 HA VAL 56 HA VAL 56 17.186 -5.429 -7.259 438 HB VAL 56 HB VAL 56 16.078 -2.673 -6.570 439 HG11 VAL 56 1HG1 VAL 56 17.055 -3.050 -4.359 440 HG12 VAL 56 2HG1 VAL 56 15.781 -4.234 -4.734 441 HG13 VAL 56 3HG1 VAL 56 17.494 -4.707 -4.836 442 HG21 VAL 56 1HG2 VAL 56 18.455 -2.106 -6.177 443 HG22 VAL 56 2HG2 VAL 56 18.930 -3.735 -6.717 444 HG23 VAL 56 3HG2 VAL 56 18.181 -2.600 -7.865 445 H LEU 57 H LEU 57 15.875 -7.039 -6.663 446 HA LEU 57 HA LEU 57 12.942 -6.493 -6.842 447 HB2 LEU 57 1HB LEU 57 14.377 -9.062 -7.588 448 HB3 LEU 57 2HB LEU 57 12.662 -8.701 -7.808 449 HG LEU 57 HG LEU 57 14.937 -7.297 -9.254 450 HD11 LEU 57 1HD1 LEU 57 14.174 -8.581 -11.201 451 HD12 LEU 57 2HD1 LEU 57 14.746 -9.646 -9.895 452 HD13 LEU 57 3HD1 LEU 57 13.001 -9.439 -10.176 453 HD21 LEU 57 1HD2 LEU 57 13.102 -6.384 -10.636 454 HD22 LEU 57 2HD2 LEU 57 11.912 -7.211 -9.602 455 HD23 LEU 57 3HD2 LEU 57 12.918 -5.905 -8.930 456 H ARG 58 H ARG 58 11.552 -7.578 -5.455 457 HA ARG 58 HA ARG 58 12.701 -8.564 -2.964 458 HB2 ARG 58 1HB ARG 58 9.850 -8.474 -4.001 459 HB3 ARG 58 2HB ARG 58 10.293 -9.050 -2.401 460 HG2 ARG 58 1HG ARG 58 10.965 -6.909 -1.686 461 HG3 ARG 58 2HG ARG 58 11.021 -6.278 -3.350 462 HD2 ARG 58 1HD ARG 58 8.518 -7.242 -1.992 463 HD3 ARG 58 2HD ARG 58 9.064 -5.549 -2.017 464 HE ARG 58 HE ARG 58 9.059 -6.346 -4.663 465 HH11 ARG 58 1HH1 ARG 58 6.696 -6.186 -2.069 466 HH12 ARG 58 2HH1 ARG 58 5.345 -5.913 -3.147 467 HH21 ARG 58 1HH2 ARG 58 7.298 -5.993 -6.052 468 HH22 ARG 58 2HH2 ARG 58 5.685 -5.804 -5.402 469 H ASP 59 H ASP 59 13.010 -10.610 -2.309 470 HA ASP 59 HA ASP 59 12.234 -12.799 -4.155 471 HB2 ASP 59 1HB ASP 59 13.677 -14.218 -2.811 472 HB3 ASP 59 2HB ASP 59 14.553 -12.753 -3.235 473 H GLY 60 H GLY 60 11.904 -14.906 -2.478 474 HA2 GLY 60 1HA GLY 60 9.100 -14.478 -1.821 475 HA3 GLY 60 2HA GLY 60 9.978 -15.992 -1.720 476 H ALA 61 H ALA 61 11.927 -13.909 -0.133 477 HA ALA 61 HA ALA 61 10.846 -14.730 2.490 478 HB1 ALA 61 1HB ALA 61 13.025 -13.952 3.367 479 HB2 ALA 61 2HB ALA 61 13.228 -15.126 2.046 480 HB3 ALA 61 3HB ALA 61 13.470 -13.391 1.739 481 H GLY 62 H GLY 62 10.481 -12.142 0.442 482 HA2 GLY 62 1HA GLY 62 9.642 -9.980 0.846 483 HA3 GLY 62 2HA GLY 62 9.776 -10.252 2.574 484 H LYS 63 H LYS 63 12.575 -11.093 0.759 485 HA LYS 63 HA LYS 63 13.932 -8.651 1.809 486 HB2 LYS 63 1HB LYS 63 14.872 -11.484 1.306 487 HB3 LYS 63 2HB LYS 63 16.026 -10.160 1.386 488 HG2 LYS 63 1HG LYS 63 15.075 -9.595 3.667 489 HG3 LYS 63 2HG LYS 63 14.161 -11.106 3.571 490 HD2 LYS 63 1HD LYS 63 17.148 -11.079 3.116 491 HD3 LYS 63 2HD LYS 63 16.481 -11.114 4.754 492 HE2 LYS 63 1HE LYS 63 15.145 -13.143 4.099 493 HE3 LYS 63 2HE LYS 63 15.983 -13.141 2.544 494 HZ1 LYS 63 1HZ LYS 63 17.015 -14.624 4.101 495 HZ2 LYS 63 2HZ LYS 63 18.055 -13.398 3.726 496 HZ3 LYS 63 3HZ LYS 63 17.273 -13.402 5.178 497 H TYR 64 H TYR 64 15.614 -7.676 0.566 498 HA TYR 64 HA TYR 64 14.803 -7.637 -2.290 499 HB2 TYR 64 1HB TYR 64 16.285 -5.654 -0.525 500 HB3 TYR 64 2HB TYR 64 16.174 -5.467 -2.270 501 HD1 TYR 64 HD1 TYR 64 14.325 -5.394 0.900 502 HD2 TYR 64 HD2 TYR 64 14.083 -4.888 -3.353 503 HE1 TYR 64 HE1 TYR 64 12.136 -4.277 1.158 504 HE2 TYR 64 HE2 TYR 64 11.894 -3.771 -3.096 505 HH TYR 64 HH TYR 64 10.269 -3.210 -1.681 506 H PHE 65 H PHE 65 16.134 -8.007 -3.964 507 HA PHE 65 HA PHE 65 19.028 -8.350 -3.418 508 HB2 PHE 65 1HB PHE 65 19.167 -10.495 -4.470 509 HB3 PHE 65 2HB PHE 65 17.897 -10.612 -3.260 510 HD1 PHE 65 HD1 PHE 65 18.688 -10.683 -6.811 511 HD2 PHE 65 HD2 PHE 65 15.530 -10.699 -3.933 512 HE1 PHE 65 HE1 PHE 65 17.117 -11.488 -8.542 513 HE2 PHE 65 HE2 PHE 65 13.956 -11.506 -5.661 514 HZ PHE 65 HZ PHE 65 14.751 -11.899 -7.966 515 H LEU 66 H LEU 66 20.282 -8.602 -5.474 516 HA LEU 66 HA LEU 66 18.904 -7.330 -7.788 517 HB2 LEU 66 1HB LEU 66 20.215 -5.647 -6.400 518 HB3 LEU 66 2HB LEU 66 21.677 -6.533 -6.846 519 HG LEU 66 HG LEU 66 19.792 -5.182 -8.811 520 HD11 LEU 66 1HD1 LEU 66 21.594 -3.530 -9.036 521 HD12 LEU 66 2HD1 LEU 66 20.943 -3.572 -7.381 522 HD13 LEU 66 3HD1 LEU 66 22.503 -4.346 -7.743 523 HD21 LEU 66 1HD2 LEU 66 21.620 -5.628 -10.414 524 HD22 LEU 66 2HD2 LEU 66 22.533 -6.473 -9.140 525 HD23 LEU 66 3HD2 LEU 66 20.991 -7.144 -9.725 526 H TRP 67 H TRP 67 22.062 -8.682 -6.755 527 HA TRP 67 HA TRP 67 22.326 -9.945 -9.422 528 HB2 TRP 67 1HB TRP 67 24.304 -9.882 -7.110 529 HB3 TRP 67 2HB TRP 67 24.631 -10.425 -8.748 530 HD1 TRP 67 HD1 TRP 67 24.684 -7.363 -6.604 531 HE1 TRP 67 HE1 TRP 67 25.289 -5.279 -8.010 532 HE3 TRP 67 HE3 TRP 67 24.189 -9.400 -11.285 533 HZ2 TRP 67 HZ2 TRP 67 25.524 -4.616 -10.744 534 HZ3 TRP 67 HZ3 TRP 67 24.617 -7.986 -13.255 535 HH2 TRP 67 HH2 TRP 67 25.278 -5.631 -12.996 536 H VAL 68 H VAL 68 23.341 -12.215 -9.387 537 HA VAL 68 HA VAL 68 21.896 -14.100 -7.799 538 HB VAL 68 HB VAL 68 23.604 -15.723 -8.547 539 HG11 VAL 68 1HG1 VAL 68 23.297 -15.461 -10.960 540 HG12 VAL 68 2HG1 VAL 68 21.797 -15.141 -10.059 541 HG13 VAL 68 3HG1 VAL 68 22.751 -13.786 -10.709 542 HG21 VAL 68 1HG2 VAL 68 25.498 -14.946 -9.937 543 HG22 VAL 68 2HG2 VAL 68 25.017 -13.257 -9.647 544 HG23 VAL 68 3HG2 VAL 68 25.585 -14.267 -8.295 545 H VAL 69 H VAL 69 24.867 -12.275 -7.237 546 HA VAL 69 HA VAL 69 25.466 -13.485 -4.696 547 HB VAL 69 HB VAL 69 25.981 -10.696 -5.804 548 HG11 VAL 69 1HG1 VAL 69 27.558 -10.401 -3.956 549 HG12 VAL 69 2HG1 VAL 69 25.884 -10.579 -3.382 550 HG13 VAL 69 3HG1 VAL 69 27.019 -11.943 -3.252 551 HG21 VAL 69 1HG2 VAL 69 28.293 -11.551 -6.028 552 HG22 VAL 69 2HG2 VAL 69 27.769 -13.128 -5.390 553 HG23 VAL 69 3HG2 VAL 69 27.145 -12.547 -6.953 554 H LYS 70 H LYS 70 24.607 -13.218 -2.726 555 HA LYS 70 HA LYS 70 22.423 -11.214 -2.431 556 HB2 LYS 70 1HB LYS 70 21.355 -13.327 -3.088 557 HB3 LYS 70 2HB LYS 70 22.212 -14.188 -1.817 558 HG2 LYS 70 1HG LYS 70 19.982 -13.831 -1.065 559 HG3 LYS 70 2HG LYS 70 21.023 -12.749 -0.130 560 HD2 LYS 70 1HD LYS 70 20.388 -10.850 -1.489 561 HD3 LYS 70 2HD LYS 70 19.517 -11.890 -2.626 562 HE2 LYS 70 1HE LYS 70 18.796 -11.538 0.306 563 HE3 LYS 70 2HE LYS 70 18.009 -10.703 -1.035 564 HZ1 LYS 70 1HZ LYS 70 16.785 -12.636 -0.359 565 HZ2 LYS 70 2HZ LYS 70 17.342 -12.841 -1.899 566 HZ3 LYS 70 3HZ LYS 70 18.076 -13.621 -0.644 567 H PHE 71 H PHE 71 22.456 -10.146 -0.573 568 HA PHE 71 HA PHE 71 23.640 -11.554 1.784 569 HB2 PHE 71 1HB PHE 71 23.782 -8.606 1.051 570 HB3 PHE 71 2HB PHE 71 24.138 -9.210 2.662 571 HD1 PHE 71 HD1 PHE 71 25.183 -9.390 -0.890 572 HD2 PHE 71 HD2 PHE 71 26.228 -10.174 3.177 573 HE1 PHE 71 HE1 PHE 71 27.512 -9.846 -1.578 574 HE2 PHE 71 HE2 PHE 71 28.559 -10.628 2.494 575 HZ PHE 71 HZ PHE 71 29.201 -10.466 0.114 576 H ASN 72 H ASN 72 22.887 -10.020 3.820 577 HA ASN 72 HA ASN 72 20.176 -10.903 4.127 578 HB2 ASN 72 1HB ASN 72 21.981 -9.165 5.829 579 HB3 ASN 72 2HB ASN 72 20.339 -9.574 6.307 580 HD21 ASN 72 1HD2 ASN 72 22.775 -11.993 7.768 581 HD22 ASN 72 2HD2 ASN 72 22.635 -10.267 7.761 582 H SER 73 H SER 73 21.551 -7.964 2.960 583 HA SER 73 HA SER 73 18.858 -6.853 2.572 584 HB2 SER 73 1HB SER 73 19.350 -6.007 4.784 585 HB3 SER 73 2HB SER 73 20.953 -5.487 4.289 586 HG SER 73 HG SER 73 18.484 -4.381 3.824 587 H LEU 74 H LEU 74 18.729 -5.375 0.909 588 HA LEU 74 HA LEU 74 20.584 -5.122 -1.117 589 HB2 LEU 74 1HB LEU 74 18.341 -4.181 -1.259 590 HB3 LEU 74 2HB LEU 74 18.724 -2.989 -0.013 591 HG LEU 74 HG LEU 74 20.414 -1.984 -1.577 592 HD11 LEU 74 1HD1 LEU 74 20.305 -2.617 -3.945 593 HD12 LEU 74 2HD1 LEU 74 20.842 -3.973 -2.926 594 HD13 LEU 74 3HD1 LEU 74 19.172 -3.929 -3.543 595 HD21 LEU 74 1HD2 LEU 74 18.709 -0.918 -3.014 596 HD22 LEU 74 2HD2 LEU 74 17.552 -2.207 -2.598 597 HD23 LEU 74 3HD2 LEU 74 18.123 -1.083 -1.341 598 H ASN 75 H ASN 75 20.532 -3.372 1.962 599 HA ASN 75 HA ASN 75 22.431 -1.369 1.189 600 HB2 ASN 75 1HB ASN 75 21.516 -2.408 3.883 601 HB3 ASN 75 2HB ASN 75 22.695 -1.113 3.721 602 HD21 ASN 75 1HD2 ASN 75 19.249 0.278 4.080 603 HD22 ASN 75 2HD2 ASN 75 20.202 -0.852 4.984 604 H GLU 76 H GLU 76 22.784 -4.674 2.104 605 HA GLU 76 HA GLU 76 25.579 -4.303 2.971 606 HB2 GLU 76 1HB GLU 76 23.795 -6.761 2.774 607 HB3 GLU 76 2HB GLU 76 25.474 -6.813 3.295 608 HG2 GLU 76 1HG GLU 76 24.912 -5.279 5.166 609 HG3 GLU 76 2HG GLU 76 23.225 -5.320 4.660 610 H LEU 77 H LEU 77 23.739 -5.686 0.274 611 HA LEU 77 HA LEU 77 26.045 -7.041 -0.845 612 HB2 LEU 77 1HB LEU 77 24.593 -7.743 -2.572 613 HB3 LEU 77 2HB LEU 77 23.594 -7.696 -1.116 614 HG LEU 77 HG LEU 77 23.030 -5.244 -2.052 615 HD11 LEU 77 1HD1 LEU 77 22.875 -5.304 -4.501 616 HD12 LEU 77 2HD1 LEU 77 24.562 -5.416 -3.946 617 HD13 LEU 77 3HD1 LEU 77 23.712 -6.873 -4.516 618 HD21 LEU 77 1HD2 LEU 77 21.036 -6.270 -3.091 619 HD22 LEU 77 2HD2 LEU 77 21.848 -7.854 -3.088 620 HD23 LEU 77 3HD2 LEU 77 21.432 -7.063 -1.548 621 H VAL 78 H VAL 78 24.477 -3.924 -1.316 622 HA VAL 78 HA VAL 78 26.004 -3.188 -3.653 623 HB VAL 78 HB VAL 78 25.245 -0.902 -3.165 624 HG11 VAL 78 1HG1 VAL 78 22.829 -1.288 -3.192 625 HG12 VAL 78 2HG1 VAL 78 23.696 -2.415 -4.262 626 HG13 VAL 78 3HG1 VAL 78 23.093 -2.972 -2.682 627 HG21 VAL 78 1HG2 VAL 78 23.918 -0.445 -1.128 628 HG22 VAL 78 2HG2 VAL 78 24.223 -2.102 -0.558 629 HG23 VAL 78 3HG2 VAL 78 25.572 -0.953 -0.716 630 H ASP 79 H ASP 79 26.589 -3.151 -0.197 631 HA ASP 79 HA ASP 79 28.993 -1.527 -0.367 632 HB2 ASP 79 1HB ASP 79 27.630 -1.858 1.732 633 HB3 ASP 79 2HB ASP 79 28.190 -3.524 1.785 634 H TYR 80 H TYR 80 28.328 -5.039 -0.169 635 HA TYR 80 HA TYR 80 30.962 -5.962 -0.587 636 HB2 TYR 80 1HB TYR 80 29.153 -7.511 -0.108 637 HB3 TYR 80 2HB TYR 80 28.301 -7.053 -1.575 638 HD1 TYR 80 HD1 TYR 80 31.445 -8.631 -0.341 639 HD2 TYR 80 HD2 TYR 80 28.681 -8.174 -3.593 640 HE1 TYR 80 HE1 TYR 80 32.593 -10.441 -1.572 641 HE2 TYR 80 HE2 TYR 80 29.829 -9.983 -4.823 642 HH TYR 80 HH TYR 80 32.683 -11.612 -3.461 643 H HIS 81 H HIS 81 28.506 -5.000 -2.995 644 HA HIS 81 HA HIS 81 30.469 -5.275 -5.178 645 HB2 HIS 81 1HB HIS 81 27.567 -4.385 -5.096 646 HB3 HIS 81 2HB HIS 81 28.541 -4.359 -6.559 647 HD2 HIS 81 HD2 HIS 81 26.261 -6.744 -4.721 648 HE1 HIS 81 HE1 HIS 81 28.686 -9.162 -7.256 649 H ARG 82 H ARG 82 30.205 -3.066 -2.821 650 HA ARG 82 HA ARG 82 30.985 -0.804 -4.546 651 HB2 ARG 82 1HB ARG 82 29.805 -0.272 -2.494 652 HB3 ARG 82 2HB ARG 82 30.966 -1.175 -1.533 653 HG2 ARG 82 1HG ARG 82 32.711 0.437 -2.044 654 HG3 ARG 82 2HG ARG 82 31.605 1.323 -3.122 655 HD2 ARG 82 1HD ARG 82 31.707 2.449 -1.035 656 HD3 ARG 82 2HD ARG 82 30.111 1.677 -1.183 657 HE ARG 82 HE ARG 82 30.624 0.281 0.576 658 HH11 ARG 82 1HH1 ARG 82 33.512 1.997 -0.453 659 HH12 ARG 82 2HH1 ARG 82 34.452 1.503 0.936 660 HH21 ARG 82 1HH2 ARG 82 31.855 -0.354 2.376 661 HH22 ARG 82 2HH2 ARG 82 33.516 0.173 2.538 662 H SER 83 H SER 83 32.475 -3.109 -2.271 663 HA SER 83 HA SER 83 35.144 -2.010 -2.748 664 HB2 SER 83 1HB SER 83 35.902 -3.698 -1.206 665 HB3 SER 83 2HB SER 83 34.438 -2.973 -0.558 666 HG SER 83 HG SER 83 33.731 -4.958 -2.119 667 H THR 84 H THR 84 33.108 -4.433 -4.137 668 HA THR 84 HA THR 84 35.396 -5.293 -5.849 669 HB THR 84 HB THR 84 33.228 -7.118 -4.721 670 HG1 THR 84 HG1 THR 84 35.831 -6.493 -3.974 671 HG21 THR 84 1HG2 THR 84 34.478 -8.908 -5.861 672 HG22 THR 84 2HG2 THR 84 33.879 -7.707 -7.030 673 HG23 THR 84 3HG2 THR 84 35.591 -7.701 -6.545 674 H SER 85 H SER 85 35.009 -5.502 -7.982 675 HA SER 85 HA SER 85 32.811 -4.130 -9.132 676 HB2 SER 85 1HB SER 85 34.831 -4.398 -10.390 677 HB3 SER 85 2HB SER 85 34.766 -6.149 -10.258 678 HG SER 85 HG SER 85 33.779 -6.037 -12.046 679 H VAL 86 H VAL 86 30.957 -4.786 -10.183 680 HA VAL 86 HA VAL 86 29.630 -7.075 -9.045 681 HB VAL 86 HB VAL 86 27.765 -6.466 -10.510 682 HG11 VAL 86 1HG1 VAL 86 27.435 -4.146 -9.806 683 HG12 VAL 86 2HG1 VAL 86 28.090 -5.155 -8.493 684 HG13 VAL 86 3HG1 VAL 86 29.158 -4.035 -9.372 685 HG21 VAL 86 1HG2 VAL 86 28.015 -4.645 -12.166 686 HG22 VAL 86 2HG2 VAL 86 29.756 -4.556 -11.804 687 HG23 VAL 86 3HG2 VAL 86 29.075 -6.019 -12.557 688 H SER 87 H SER 87 31.771 -6.702 -11.685 689 HA SER 87 HA SER 87 31.141 -9.368 -12.741 690 HB2 SER 87 1HB SER 87 29.489 -8.107 -13.946 691 HB3 SER 87 2HB SER 87 30.638 -6.833 -14.323 692 HG SER 87 HG SER 87 30.077 -8.890 -15.740 693 H ARG 88 H ARG 88 32.719 -10.189 -14.160 694 HA ARG 88 HA ARG 88 35.368 -9.073 -13.884 695 HB2 ARG 88 1HB ARG 88 34.250 -11.265 -15.657 696 HB3 ARG 88 2HB ARG 88 35.952 -10.832 -15.614 697 HG2 ARG 88 1HG ARG 88 36.069 -11.436 -13.244 698 HG3 ARG 88 2HG ARG 88 34.336 -11.842 -13.259 699 HD2 ARG 88 1HD ARG 88 34.751 -13.551 -14.931 700 HD3 ARG 88 2HD ARG 88 36.483 -13.145 -14.917 701 HE ARG 88 HE ARG 88 35.774 -13.692 -12.276 702 HH11 ARG 88 1HH1 ARG 88 35.844 -15.393 -15.349 703 HH12 ARG 88 2HH1 ARG 88 36.125 -16.958 -14.620 704 HH21 ARG 88 1HH2 ARG 88 36.139 -15.729 -11.341 705 HH22 ARG 88 2HH2 ARG 88 36.292 -17.149 -12.351 706 H ASN 89 H ASN 89 32.759 -8.602 -16.111 707 HA ASN 89 HA ASN 89 34.636 -7.381 -18.090 708 HB2 ASN 89 1HB ASN 89 31.847 -8.518 -18.473 709 HB3 ASN 89 2HB ASN 89 32.770 -7.694 -19.722 710 HD21 ASN 89 1HD2 ASN 89 33.346 -11.586 -18.986 711 HD22 ASN 89 2HD2 ASN 89 32.084 -10.642 -18.266 712 H GLN 90 H GLN 90 31.646 -6.907 -16.265 713 HA GLN 90 HA GLN 90 31.529 -4.107 -17.261 714 HB2 GLN 90 1HB GLN 90 29.508 -5.639 -15.577 715 HB3 GLN 90 2HB GLN 90 29.280 -4.045 -16.282 716 HG2 GLN 90 1HG GLN 90 29.504 -5.054 -18.545 717 HG3 GLN 90 2HG GLN 90 29.586 -6.660 -17.768 718 HE21 GLN 90 1HE2 GLN 90 26.132 -6.832 -18.309 719 HE22 GLN 90 2HE2 GLN 90 27.704 -7.414 -18.749 720 H GLN 91 H GLN 91 33.121 -3.067 -16.133 721 HA GLN 91 HA GLN 91 33.614 -3.707 -13.343 722 HB2 GLN 91 1HB GLN 91 34.733 -1.528 -15.151 723 HB3 GLN 91 2HB GLN 91 35.292 -1.836 -13.513 724 HG2 GLN 91 1HG GLN 91 35.326 -3.956 -15.660 725 HG3 GLN 91 2HG GLN 91 36.672 -2.816 -15.382 726 HE21 GLN 91 1HE2 GLN 91 36.443 -6.177 -13.259 727 HE22 GLN 91 2HE2 GLN 91 35.592 -5.867 -14.736 728 H ILE 92 H ILE 92 31.501 -3.253 -12.477 729 HA ILE 92 HA ILE 92 31.072 -0.331 -12.042 730 HB ILE 92 HB ILE 92 29.067 -2.546 -11.475 731 HG12 ILE 92 1HG1 ILE 92 29.861 -2.427 -13.906 732 HG13 ILE 92 2HG1 ILE 92 28.134 -2.351 -13.594 733 HG21 ILE 92 1HG2 ILE 92 27.460 -0.684 -11.591 734 HG22 ILE 92 2HG2 ILE 92 28.695 -0.387 -10.344 735 HG23 ILE 92 3HG2 ILE 92 28.793 0.451 -11.910 736 HD11 ILE 92 1HD1 ILE 92 28.790 -0.740 -15.293 737 HD12 ILE 92 2HD1 ILE 92 28.184 0.093 -13.842 738 HD13 ILE 92 3HD1 ILE 92 29.933 0.017 -14.160 739 H PHE 93 H PHE 93 31.476 0.510 -10.121 740 HA PHE 93 HA PHE 93 31.392 -1.327 -7.762 741 HB2 PHE 93 1HB PHE 93 33.136 1.139 -8.150 742 HB3 PHE 93 2HB PHE 93 33.050 0.175 -6.685 743 HD1 PHE 93 HD1 PHE 93 33.794 -0.146 -10.330 744 HD2 PHE 93 HD2 PHE 93 34.536 -1.570 -6.371 745 HE1 PHE 93 HE1 PHE 93 35.580 -1.620 -11.197 746 HE2 PHE 93 HE2 PHE 93 36.324 -3.043 -7.234 747 HZ PHE 93 HZ PHE 93 36.845 -3.068 -9.648 748 H LEU 94 H LEU 94 29.671 -0.963 -6.562 749 HA LEU 94 HA LEU 94 28.098 1.447 -6.989 750 HB2 LEU 94 1HB LEU 94 27.722 -0.881 -5.073 751 HB3 LEU 94 2HB LEU 94 26.535 0.395 -5.364 752 HG LEU 94 HG LEU 94 27.448 -1.764 -7.286 753 HD11 LEU 94 1HD1 LEU 94 25.058 -2.324 -7.267 754 HD12 LEU 94 2HD1 LEU 94 25.765 -2.400 -5.636 755 HD13 LEU 94 3HD1 LEU 94 24.759 -1.008 -6.106 756 HD21 LEU 94 1HD2 LEU 94 25.961 -0.681 -8.936 757 HD22 LEU 94 2HD2 LEU 94 25.674 0.659 -7.800 758 HD23 LEU 94 3HD2 LEU 94 27.301 0.398 -8.475 759 H ARG 95 H ARG 95 29.634 3.031 -6.239 760 HA ARG 95 HA ARG 95 30.303 2.949 -3.362 761 HB2 ARG 95 1HB ARG 95 31.112 4.894 -5.552 762 HB3 ARG 95 2HB ARG 95 31.689 4.946 -3.892 763 HG2 ARG 95 1HG ARG 95 32.913 2.933 -4.138 764 HG3 ARG 95 2HG ARG 95 32.097 2.538 -5.672 765 HD2 ARG 95 1HD ARG 95 33.112 4.535 -6.678 766 HD3 ARG 95 2HD ARG 95 33.993 4.818 -5.159 767 HE ARG 95 HE ARG 95 34.814 2.367 -5.639 768 HH11 ARG 95 1HH1 ARG 95 34.318 4.961 -7.956 769 HH12 ARG 95 2HH1 ARG 95 35.555 4.388 -9.052 770 HH21 ARG 95 1HH2 ARG 95 36.417 1.634 -7.071 771 HH22 ARG 95 2HH2 ARG 95 36.744 2.506 -8.552 772 H ASP 96 H ASP 96 29.998 4.818 -1.997 773 HA ASP 96 HA ASP 96 27.375 6.083 -2.494 774 HB2 ASP 96 1HB ASP 96 29.203 6.001 -0.064 775 HB3 ASP 96 2HB ASP 96 27.718 6.942 -0.121 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.155 -3.919 -3.452 2 H2 MET 1 2H MET 1 -1.009 -2.528 -3.401 3 H3 MET 1 3H MET 1 -0.180 -2.928 -4.749 4 HA MET 1 HA MET 1 0.959 -2.287 -2.148 5 HB2 MET 1 1HB MET 1 2.276 -3.988 -3.346 6 HB3 MET 1 2HB MET 1 2.287 -2.995 -4.796 7 HG2 MET 1 1HG MET 1 4.409 -2.781 -3.710 8 HG3 MET 1 2HG MET 1 3.553 -1.247 -3.539 9 HE1 MET 1 1HE MET 1 5.107 -0.913 -0.117 10 HE2 MET 1 2HE MET 1 5.803 -1.155 -1.738 11 HE3 MET 1 3HE MET 1 4.405 -0.074 -1.522 12 H LYS 2 H LYS 2 0.686 -0.224 -1.755 13 HA LYS 2 HA LYS 2 0.441 1.704 -3.957 14 HB2 LYS 2 1HB LYS 2 -0.956 1.893 -1.902 15 HB3 LYS 2 2HB LYS 2 0.497 2.142 -0.944 16 HG2 LYS 2 1HG LYS 2 0.964 4.227 -2.147 17 HG3 LYS 2 2HG LYS 2 -0.457 3.969 -3.169 18 HD2 LYS 2 1HD LYS 2 -1.917 4.059 -1.184 19 HD3 LYS 2 2HD LYS 2 -0.502 4.283 -0.144 20 HE2 LYS 2 1HE LYS 2 0.027 6.395 -1.314 21 HE3 LYS 2 2HE LYS 2 -1.377 6.173 -2.361 22 HZ1 LYS 2 1HZ LYS 2 -1.853 7.645 -0.546 23 HZ2 LYS 2 2HZ LYS 2 -2.774 6.282 -0.413 24 HZ3 LYS 2 3HZ LYS 2 -1.461 6.491 0.565 25 HA PRO 3 HA PRO 3 4.782 2.393 -4.198 26 HB2 PRO 3 1HB PRO 3 3.752 4.879 -5.606 27 HB3 PRO 3 2HB PRO 3 5.002 3.742 -6.128 28 HG2 PRO 3 1HG PRO 3 2.594 3.576 -7.251 29 HG3 PRO 3 2HG PRO 3 3.424 2.088 -6.787 30 HD2 PRO 3 1HD PRO 3 1.214 3.588 -5.320 31 HD3 PRO 3 2HD PRO 3 1.390 1.810 -5.602 32 H HIS 4 H HIS 4 6.293 3.933 -3.350 33 HA HIS 4 HA HIS 4 5.208 5.609 -1.176 34 HB2 HIS 4 1HB HIS 4 7.996 4.781 -2.016 35 HB3 HIS 4 2HB HIS 4 7.732 6.043 -0.821 36 HD2 HIS 4 HD2 HIS 4 7.100 2.161 -1.184 37 HE1 HIS 4 HE1 HIS 4 6.881 3.254 2.929 38 HA PRO 5 HA PRO 5 5.469 9.145 -3.844 39 HB2 PRO 5 1HB PRO 5 3.973 10.832 -2.332 40 HB3 PRO 5 2HB PRO 5 3.218 9.515 -3.241 41 HG2 PRO 5 1HG PRO 5 3.998 9.600 -0.294 42 HG3 PRO 5 2HG PRO 5 2.461 9.097 -1.002 43 HD2 PRO 5 1HD PRO 5 4.409 7.292 -0.310 44 HD3 PRO 5 2HD PRO 5 3.289 7.017 -1.706 45 H TRP 6 H TRP 6 7.711 8.442 -2.384 46 HA TRP 6 HA TRP 6 8.481 11.011 -1.085 47 HB2 TRP 6 1HB TRP 6 9.299 8.285 -0.020 48 HB3 TRP 6 2HB TRP 6 9.610 9.854 0.710 49 HD1 TRP 6 HD1 TRP 6 7.296 7.018 0.968 50 HE1 TRP 6 HE1 TRP 6 5.186 7.632 2.330 51 HE3 TRP 6 HE3 TRP 6 7.826 12.120 0.986 52 HZ2 TRP 6 HZ2 TRP 6 3.936 9.979 3.278 53 HZ3 TRP 6 HZ3 TRP 6 6.136 13.491 2.138 54 HH2 TRP 6 HH2 TRP 6 4.221 12.445 3.271 55 H PHE 7 H PHE 7 10.301 11.843 -1.842 56 HA PHE 7 HA PHE 7 11.592 10.419 -4.036 57 HB2 PHE 7 1HB PHE 7 11.763 13.190 -2.866 58 HB3 PHE 7 2HB PHE 7 13.049 12.631 -3.924 59 HD1 PHE 7 HD1 PHE 7 9.616 13.771 -3.715 60 HD2 PHE 7 HD2 PHE 7 12.548 12.009 -6.274 61 HE1 PHE 7 HE1 PHE 7 8.248 14.365 -5.687 62 HE2 PHE 7 HE2 PHE 7 11.184 12.604 -8.249 63 HZ PHE 7 HZ PHE 7 9.033 13.781 -7.954 64 H PHE 8 H PHE 8 14.589 9.285 -2.750 65 HA PHE 8 HA PHE 8 13.214 10.628 -5.010 66 HB2 PHE 8 1HB PHE 8 15.671 8.831 -4.941 67 HB3 PHE 8 2HB PHE 8 15.009 9.570 -6.390 68 HD1 PHE 8 HD1 PHE 8 14.305 12.275 -5.313 69 HD2 PHE 8 HD2 PHE 8 17.767 9.834 -4.763 70 HE1 PHE 8 HE1 PHE 8 15.665 14.299 -4.904 71 HE2 PHE 8 HE2 PHE 8 19.130 11.855 -4.351 72 HZ PHE 8 HZ PHE 8 18.077 14.089 -4.423 73 H GLY 9 H GLY 9 11.905 8.568 -3.339 74 HA2 GLY 9 1HA GLY 9 12.006 5.953 -4.125 75 HA3 GLY 9 2HA GLY 9 10.492 6.747 -3.737 76 H LYS 10 H LYS 10 9.913 8.399 -5.726 77 HA LYS 10 HA LYS 10 9.740 6.549 -8.063 78 HB2 LYS 10 1HB LYS 10 7.838 8.765 -7.200 79 HB3 LYS 10 2HB LYS 10 7.636 7.743 -8.617 80 HG2 LYS 10 1HG LYS 10 7.646 6.785 -5.738 81 HG3 LYS 10 2HG LYS 10 6.219 7.017 -6.757 82 HD2 LYS 10 1HD LYS 10 8.501 5.111 -7.391 83 HD3 LYS 10 2HD LYS 10 6.973 4.638 -6.633 84 HE2 LYS 10 1HE LYS 10 7.252 5.928 -9.373 85 HE3 LYS 10 2HE LYS 10 6.977 4.211 -9.073 86 HZ1 LYS 10 1HZ LYS 10 4.945 5.356 -9.572 87 HZ2 LYS 10 2HZ LYS 10 4.898 4.786 -8.024 88 HZ3 LYS 10 3HZ LYS 10 5.154 6.390 -8.305 89 H ILE 11 H ILE 11 11.945 8.395 -7.553 90 HA ILE 11 HA ILE 11 11.742 10.648 -9.303 91 HB ILE 11 HB ILE 11 13.577 10.225 -7.587 92 HG12 ILE 11 1HG1 ILE 11 14.451 10.910 -10.404 93 HG13 ILE 11 2HG1 ILE 11 13.677 12.014 -9.279 94 HG21 ILE 11 1HG2 ILE 11 15.517 8.911 -8.342 95 HG22 ILE 11 2HG2 ILE 11 14.067 7.890 -8.211 96 HG23 ILE 11 3HG2 ILE 11 14.628 8.435 -9.809 97 HD11 ILE 11 1HD1 ILE 11 16.082 12.362 -9.332 98 HD12 ILE 11 2HD1 ILE 11 15.569 11.783 -7.729 99 HD13 ILE 11 3HD1 ILE 11 16.356 10.666 -8.870 100 HA PRO 12 HA PRO 12 12.121 8.606 -13.234 101 HB2 PRO 12 1HB PRO 12 12.442 10.795 -14.795 102 HB3 PRO 12 2HB PRO 12 10.878 10.443 -14.047 103 HG2 PRO 12 1HG PRO 12 13.062 12.350 -13.095 104 HG3 PRO 12 2HG PRO 12 11.338 12.677 -13.288 105 HD2 PRO 12 1HD PRO 12 12.423 11.990 -10.866 106 HD3 PRO 12 2HD PRO 12 10.742 11.515 -11.336 107 H ARG 13 H ARG 13 13.880 8.005 -14.512 108 HA ARG 13 HA ARG 13 16.541 8.435 -13.636 109 HB2 ARG 13 1HB ARG 13 15.423 7.605 -16.329 110 HB3 ARG 13 2HB ARG 13 17.145 7.655 -15.985 111 HG2 ARG 13 1HG ARG 13 16.978 5.920 -14.370 112 HG3 ARG 13 2HG ARG 13 15.200 6.019 -14.349 113 HD2 ARG 13 1HD ARG 13 15.886 4.113 -15.613 114 HD3 ARG 13 2HD ARG 13 15.180 5.323 -16.708 115 HE ARG 13 HE ARG 13 17.988 5.696 -16.584 116 HH11 ARG 13 1HH1 ARG 13 15.597 3.441 -17.823 117 HH12 ARG 13 2HH1 ARG 13 16.608 2.899 -19.142 118 HH21 ARG 13 1HH2 ARG 13 19.292 4.983 -18.299 119 HH22 ARG 13 2HH2 ARG 13 18.701 3.771 -19.413 120 H ALA 14 H ALA 14 14.494 10.250 -15.860 121 HA ALA 14 HA ALA 14 16.260 11.963 -17.099 122 HB1 ALA 14 1HB ALA 14 14.514 13.708 -16.922 123 HB2 ALA 14 2HB ALA 14 13.824 12.123 -17.347 124 HB3 ALA 14 3HB ALA 14 13.683 12.739 -15.684 125 H LYS 15 H LYS 15 15.419 11.897 -13.676 126 HA LYS 15 HA LYS 15 17.051 14.347 -13.244 127 HB2 LYS 15 1HB LYS 15 14.623 13.993 -12.320 128 HB3 LYS 15 2HB LYS 15 15.397 12.963 -11.124 129 HG2 LYS 15 1HG LYS 15 15.210 15.072 -10.105 130 HG3 LYS 15 2HG LYS 15 16.909 14.948 -10.582 131 HD2 LYS 15 1HD LYS 15 16.278 16.193 -12.717 132 HD3 LYS 15 2HD LYS 15 14.702 16.499 -11.972 133 HE2 LYS 15 1HE LYS 15 15.677 17.767 -10.195 134 HE3 LYS 15 2HE LYS 15 17.308 17.230 -10.607 135 HZ1 LYS 15 1HZ LYS 15 16.890 19.449 -11.373 136 HZ2 LYS 15 2HZ LYS 15 17.128 18.450 -12.665 137 HZ3 LYS 15 3HZ LYS 15 15.606 18.953 -12.279 138 H ALA 16 H ALA 16 16.700 10.977 -12.160 139 HA ALA 16 HA ALA 16 18.779 11.038 -10.228 140 HB1 ALA 16 1HB ALA 16 18.794 8.576 -10.465 141 HB2 ALA 16 2HB ALA 16 17.137 9.219 -10.360 142 HB3 ALA 16 3HB ALA 16 17.800 8.720 -11.934 143 H GLU 17 H GLU 17 18.837 10.391 -13.714 144 HA GLU 17 HA GLU 17 21.673 9.721 -13.701 145 HB2 GLU 17 1HB GLU 17 19.783 10.388 -15.994 146 HB3 GLU 17 2HB GLU 17 21.424 9.786 -16.185 147 HG2 GLU 17 1HG GLU 17 20.760 7.727 -14.937 148 HG3 GLU 17 2HG GLU 17 19.104 8.327 -14.905 149 H GLU 18 H GLU 18 19.710 12.581 -14.448 150 HA GLU 18 HA GLU 18 21.798 14.295 -15.302 151 HB2 GLU 18 1HB GLU 18 19.389 14.883 -15.393 152 HB3 GLU 18 2HB GLU 18 19.337 14.969 -13.638 153 HG2 GLU 18 1HG GLU 18 20.991 16.818 -13.704 154 HG3 GLU 18 2HG GLU 18 20.958 16.755 -15.465 155 H MET 19 H MET 19 20.588 13.616 -12.010 156 HA MET 19 HA MET 19 22.338 15.404 -10.663 157 HB2 MET 19 1HB MET 19 20.832 12.917 -9.848 158 HB3 MET 19 2HB MET 19 21.951 13.673 -8.723 159 HG2 MET 19 1HG MET 19 20.663 15.828 -9.032 160 HG3 MET 19 2HG MET 19 19.473 14.904 -9.951 161 HE1 MET 19 1HE MET 19 17.562 12.869 -7.414 162 HE2 MET 19 2HE MET 19 17.500 13.791 -8.936 163 HE3 MET 19 3HE MET 19 18.622 12.418 -8.773 164 H LEU 20 H LEU 20 22.717 11.964 -11.501 165 HA LEU 20 HA LEU 20 25.222 11.626 -10.170 166 HB2 LEU 20 1HB LEU 20 23.991 10.172 -12.536 167 HB3 LEU 20 2HB LEU 20 25.468 9.652 -11.718 168 HG LEU 20 HG LEU 20 22.750 9.880 -10.379 169 HD11 LEU 20 1HD1 LEU 20 22.727 7.428 -10.506 170 HD12 LEU 20 2HD1 LEU 20 22.748 8.170 -12.123 171 HD13 LEU 20 3HD1 LEU 20 24.236 7.463 -11.450 172 HD21 LEU 20 1HD2 LEU 20 23.867 8.587 -8.592 173 HD22 LEU 20 2HD2 LEU 20 25.392 8.638 -9.508 174 HD23 LEU 20 3HD2 LEU 20 24.689 10.142 -8.867 175 H SER 21 H SER 21 24.356 12.697 -13.433 176 HA SER 21 HA SER 21 27.098 12.690 -14.387 177 HB2 SER 21 1HB SER 21 26.207 13.742 -16.362 178 HB3 SER 21 2HB SER 21 25.105 12.466 -15.867 179 HG SER 21 HG SER 21 24.213 14.424 -14.587 180 H LYS 22 H LYS 22 25.258 14.787 -12.404 181 HA LYS 22 HA LYS 22 27.143 17.023 -12.821 182 HB2 LYS 22 1HB LYS 22 24.796 16.611 -10.933 183 HB3 LYS 22 2HB LYS 22 25.848 18.018 -10.859 184 HG2 LYS 22 1HG LYS 22 25.225 18.620 -13.166 185 HG3 LYS 22 2HG LYS 22 24.174 17.200 -13.250 186 HD2 LYS 22 1HD LYS 22 22.812 18.067 -11.396 187 HD3 LYS 22 2HD LYS 22 23.888 19.464 -11.240 188 HE2 LYS 22 1HE LYS 22 23.301 20.197 -13.511 189 HE3 LYS 22 2HE LYS 22 22.272 18.778 -13.723 190 HZ1 LYS 22 1HZ LYS 22 21.003 20.704 -13.115 191 HZ2 LYS 22 2HZ LYS 22 20.904 19.573 -11.918 192 HZ3 LYS 22 3HZ LYS 22 21.864 20.900 -11.722 193 H GLN 23 H GLN 23 26.561 14.343 -10.626 194 HA GLN 23 HA GLN 23 28.437 15.161 -8.610 195 HB2 GLN 23 1HB GLN 23 27.394 12.418 -9.413 196 HB3 GLN 23 2HB GLN 23 28.433 12.694 -8.021 197 HG2 GLN 23 1HG GLN 23 25.748 14.030 -8.405 198 HG3 GLN 23 2HG GLN 23 26.010 12.518 -7.493 199 HE21 GLN 23 1HE2 GLN 23 26.258 15.926 -5.557 200 HE22 GLN 23 2HE2 GLN 23 25.349 15.605 -6.996 201 H ARG 24 H ARG 24 28.732 13.325 -11.623 202 HA ARG 24 HA ARG 24 30.570 12.521 -12.749 203 HB2 ARG 24 1HB ARG 24 32.278 14.410 -11.116 204 HB3 ARG 24 2HB ARG 24 32.568 13.812 -12.743 205 HG2 ARG 24 1HG ARG 24 30.418 15.773 -11.908 206 HG3 ARG 24 2HG ARG 24 31.906 16.130 -12.817 207 HD2 ARG 24 1HD ARG 24 29.709 14.291 -13.737 208 HD3 ARG 24 2HD ARG 24 29.909 15.989 -14.230 209 HE ARG 24 HE ARG 24 32.327 14.599 -14.710 210 HH11 ARG 24 1HH1 ARG 24 29.022 14.768 -15.891 211 HH12 ARG 24 2HH1 ARG 24 29.445 14.275 -17.515 212 HH21 ARG 24 1HH2 ARG 24 32.863 13.960 -16.823 213 HH22 ARG 24 2HH2 ARG 24 31.618 13.817 -18.044 214 H HIS 25 H HIS 25 29.780 11.448 -10.054 215 HA HIS 25 HA HIS 25 32.405 10.500 -9.009 216 HB2 HIS 25 1HB HIS 25 30.782 11.498 -7.404 217 HB3 HIS 25 2HB HIS 25 29.618 10.248 -7.820 218 HD2 HIS 25 HD2 HIS 25 29.733 9.080 -5.141 219 HE1 HIS 25 HE1 HIS 25 33.801 7.922 -5.541 220 H ASP 26 H ASP 26 32.878 9.037 -10.683 221 HA ASP 26 HA ASP 26 31.215 6.950 -11.575 222 HB2 ASP 26 1HB ASP 26 33.334 7.409 -12.664 223 HB3 ASP 26 2HB ASP 26 34.233 7.044 -11.197 224 H GLY 27 H GLY 27 30.486 5.101 -10.770 225 HA2 GLY 27 1HA GLY 27 30.704 3.166 -9.289 226 HA3 GLY 27 2HA GLY 27 31.589 4.166 -8.153 227 H ALA 28 H ALA 28 29.715 6.460 -8.558 228 HA ALA 28 HA ALA 28 27.990 5.900 -6.368 229 HB1 ALA 28 1HB ALA 28 26.947 8.079 -6.901 230 HB2 ALA 28 2HB ALA 28 28.724 8.173 -6.929 231 HB3 ALA 28 3HB ALA 28 27.813 8.103 -8.455 232 H PHE 29 H PHE 29 25.641 6.017 -6.321 233 HA PHE 29 HA PHE 29 24.277 5.166 -8.797 234 HB2 PHE 29 1HB PHE 29 23.315 3.161 -7.759 235 HB3 PHE 29 2HB PHE 29 25.066 3.043 -7.825 236 HD1 PHE 29 HD1 PHE 29 22.247 3.911 -5.556 237 HD2 PHE 29 HD2 PHE 29 26.310 2.632 -5.893 238 HE1 PHE 29 HE1 PHE 29 22.306 3.460 -3.125 239 HE2 PHE 29 HE2 PHE 29 26.371 2.178 -3.463 240 HZ PHE 29 HZ PHE 29 24.368 2.594 -2.079 241 H LEU 30 H LEU 30 21.981 5.277 -8.681 242 HA LEU 30 HA LEU 30 20.920 6.494 -6.167 243 HB2 LEU 30 1HB LEU 30 21.100 8.039 -8.234 244 HB3 LEU 30 2HB LEU 30 19.791 7.069 -8.916 245 HG LEU 30 HG LEU 30 19.369 8.234 -6.191 246 HD11 LEU 30 1HD1 LEU 30 18.682 10.377 -7.172 247 HD12 LEU 30 2HD1 LEU 30 20.418 10.071 -7.412 248 HD13 LEU 30 3HD1 LEU 30 19.280 9.841 -8.761 249 HD21 LEU 30 1HD2 LEU 30 17.079 8.446 -7.096 250 HD22 LEU 30 2HD2 LEU 30 17.653 7.883 -8.684 251 HD23 LEU 30 3HD2 LEU 30 17.690 6.785 -7.284 252 H ILE 31 H ILE 31 19.653 5.099 -5.181 253 HA ILE 31 HA ILE 31 18.318 2.990 -6.770 254 HB ILE 31 HB ILE 31 18.742 3.371 -3.782 255 HG12 ILE 31 1HG1 ILE 31 19.682 1.119 -5.555 256 HG13 ILE 31 2HG1 ILE 31 20.619 2.588 -5.334 257 HG21 ILE 31 1HG2 ILE 31 17.649 1.183 -3.501 258 HG22 ILE 31 2HG2 ILE 31 16.518 2.381 -4.174 259 HG23 ILE 31 3HG2 ILE 31 17.251 1.155 -5.235 260 HD11 ILE 31 1HD1 ILE 31 21.374 0.831 -3.833 261 HD12 ILE 31 2HD1 ILE 31 20.693 2.192 -2.911 262 HD13 ILE 31 3HD1 ILE 31 19.744 0.703 -3.134 263 H ARG 32 H ARG 32 16.204 2.882 -7.161 264 HA ARG 32 HA ARG 32 14.389 4.768 -5.775 265 HB2 ARG 32 1HB ARG 32 13.694 5.898 -7.723 266 HB3 ARG 32 2HB ARG 32 15.449 5.901 -7.808 267 HG2 ARG 32 1HG ARG 32 15.226 3.839 -9.312 268 HG3 ARG 32 2HG ARG 32 13.499 4.260 -9.415 269 HD2 ARG 32 1HD ARG 32 14.092 6.468 -10.235 270 HD3 ARG 32 2HD ARG 32 15.815 6.041 -10.138 271 HE ARG 32 HE ARG 32 15.613 4.831 -12.075 272 HH11 ARG 32 1HH1 ARG 32 12.407 5.539 -10.826 273 HH12 ARG 32 2HH1 ARG 32 11.585 4.957 -12.255 274 HH21 ARG 32 1HH2 ARG 32 14.534 4.079 -13.926 275 HH22 ARG 32 2HH2 ARG 32 12.788 4.131 -14.012 276 H GLU 33 H GLU 33 12.187 4.291 -5.992 277 HA GLU 33 HA GLU 33 11.651 1.467 -6.331 278 HB2 GLU 33 1HB GLU 33 10.491 2.907 -4.649 279 HB3 GLU 33 2HB GLU 33 9.710 3.785 -5.957 280 HG2 GLU 33 1HG GLU 33 8.545 1.761 -6.663 281 HG3 GLU 33 2HG GLU 33 9.378 0.825 -5.423 282 H SER 34 H SER 34 10.623 0.379 -7.914 283 HA SER 34 HA SER 34 10.713 1.542 -10.557 284 HB2 SER 34 1HB SER 34 11.175 -0.812 -10.254 285 HB3 SER 34 2HB SER 34 9.610 -1.080 -9.503 286 HG SER 34 HG SER 34 10.305 -0.877 -12.111 287 H GLU 35 H GLU 35 9.120 2.245 -11.889 288 HA GLU 35 HA GLU 35 6.468 2.753 -10.756 289 HB2 GLU 35 1HB GLU 35 7.672 3.223 -13.510 290 HB3 GLU 35 2HB GLU 35 6.007 3.618 -13.107 291 HG2 GLU 35 1HG GLU 35 6.753 5.195 -11.408 292 HG3 GLU 35 2HG GLU 35 8.434 4.754 -11.702 293 H SER 36 H SER 36 8.011 0.210 -12.461 294 HA SER 36 HA SER 36 5.467 -0.728 -13.665 295 HB2 SER 36 1HB SER 36 6.847 -2.299 -14.894 296 HB3 SER 36 2HB SER 36 7.510 -0.681 -15.059 297 HG SER 36 HG SER 36 8.666 -1.517 -12.989 298 H ALA 37 H ALA 37 7.653 -1.379 -11.041 299 HA ALA 37 HA ALA 37 5.808 -3.531 -10.168 300 HB1 ALA 37 1HB ALA 37 7.715 -4.914 -9.416 301 HB2 ALA 37 2HB ALA 37 7.726 -4.681 -11.180 302 HB3 ALA 37 3HB ALA 37 8.840 -3.750 -10.153 303 HA PRO 38 HA PRO 38 6.394 -0.262 -7.000 304 HB2 PRO 38 1HB PRO 38 3.739 -1.591 -6.306 305 HB3 PRO 38 2HB PRO 38 4.184 0.118 -6.200 306 HG2 PRO 38 1HG PRO 38 2.721 -0.662 -8.274 307 HG3 PRO 38 2HG PRO 38 4.071 0.440 -8.559 308 HD2 PRO 38 1HD PRO 38 3.918 -2.564 -9.007 309 HD3 PRO 38 2HD PRO 38 4.681 -1.292 -10.044 310 H GLY 39 H GLY 39 7.261 -0.596 -4.998 311 HA2 GLY 39 1HA GLY 39 7.591 -1.791 -2.941 312 HA3 GLY 39 2HA GLY 39 6.927 -3.237 -3.677 313 H ASP 40 H ASP 40 8.603 -2.653 -6.165 314 HA ASP 40 HA ASP 40 11.166 -3.733 -5.103 315 HB2 ASP 40 1HB ASP 40 9.984 -3.737 -7.909 316 HB3 ASP 40 2HB ASP 40 11.592 -4.331 -7.519 317 H PHE 41 H PHE 41 13.176 -3.013 -6.081 318 HA PHE 41 HA PHE 41 13.035 -0.075 -6.613 319 HB2 PHE 41 1HB PHE 41 15.108 -1.741 -5.144 320 HB3 PHE 41 2HB PHE 41 15.411 -0.090 -5.663 321 HD1 PHE 41 HD1 PHE 41 14.376 -2.064 -2.994 322 HD2 PHE 41 HD2 PHE 41 13.466 1.621 -4.954 323 HE1 PHE 41 HE1 PHE 41 13.325 -1.223 -0.920 324 HE2 PHE 41 HE2 PHE 41 12.416 2.466 -2.882 325 HZ PHE 41 HZ PHE 41 12.344 1.043 -0.865 326 H SER 42 H SER 42 14.390 0.839 -8.188 327 HA SER 42 HA SER 42 16.117 -1.082 -9.682 328 HB2 SER 42 1HB SER 42 15.240 1.743 -10.370 329 HB3 SER 42 2HB SER 42 16.334 0.766 -11.340 330 HG SER 42 HG SER 42 14.685 -0.097 -12.161 331 H LEU 43 H LEU 43 18.307 -0.628 -10.029 332 HA LEU 43 HA LEU 43 19.438 1.467 -8.221 333 HB2 LEU 43 1HB LEU 43 19.894 -1.060 -7.760 334 HB3 LEU 43 2HB LEU 43 20.970 -0.962 -9.158 335 HG LEU 43 HG LEU 43 21.342 1.064 -6.985 336 HD11 LEU 43 1HD1 LEU 43 22.697 -0.520 -5.690 337 HD12 LEU 43 2HD1 LEU 43 20.987 -1.008 -5.742 338 HD13 LEU 43 3HD1 LEU 43 22.182 -1.841 -6.765 339 HD21 LEU 43 1HD2 LEU 43 23.700 0.708 -7.635 340 HD22 LEU 43 2HD2 LEU 43 23.200 -0.595 -8.739 341 HD23 LEU 43 3HD2 LEU 43 22.693 1.081 -9.055 342 H SER 44 H SER 44 19.988 3.168 -9.397 343 HA SER 44 HA SER 44 20.944 2.721 -12.176 344 HB2 SER 44 1HB SER 44 19.940 5.200 -10.744 345 HB3 SER 44 2HB SER 44 20.558 5.198 -12.388 346 HG SER 44 HG SER 44 18.971 3.593 -12.841 347 H VAL 45 H VAL 45 23.077 2.540 -12.392 348 HA VAL 45 HA VAL 45 24.737 3.670 -10.198 349 HB VAL 45 HB VAL 45 24.867 1.238 -10.497 350 HG11 VAL 45 1HG1 VAL 45 25.733 0.249 -12.561 351 HG12 VAL 45 2HG1 VAL 45 24.197 1.107 -12.826 352 HG13 VAL 45 3HG1 VAL 45 25.733 1.853 -13.330 353 HG21 VAL 45 1HG2 VAL 45 27.313 1.034 -10.816 354 HG22 VAL 45 2HG2 VAL 45 27.356 2.665 -11.526 355 HG23 VAL 45 3HG2 VAL 45 26.910 2.449 -9.816 356 H LYS 46 H LYS 46 25.988 5.362 -10.553 357 HA LYS 46 HA LYS 46 26.476 6.348 -13.251 358 HB2 LYS 46 1HB LYS 46 26.182 7.931 -11.407 359 HB3 LYS 46 2HB LYS 46 27.541 7.229 -10.539 360 HG2 LYS 46 1HG LYS 46 28.166 9.333 -11.597 361 HG3 LYS 46 2HG LYS 46 29.081 7.989 -12.293 362 HD2 LYS 46 1HD LYS 46 27.782 7.990 -14.286 363 HD3 LYS 46 2HD LYS 46 26.519 8.993 -13.558 364 HE2 LYS 46 1HE LYS 46 27.862 10.346 -15.069 365 HE3 LYS 46 2HE LYS 46 28.127 10.882 -13.408 366 HZ1 LYS 46 1HZ LYS 46 30.176 10.709 -14.615 367 HZ2 LYS 46 2HZ LYS 46 30.163 9.612 -13.383 368 HZ3 LYS 46 3HZ LYS 46 29.916 9.112 -14.935 369 H PHE 47 H PHE 47 27.559 4.643 -14.268 370 HA PHE 47 HA PHE 47 30.403 4.365 -13.384 371 HB2 PHE 47 1HB PHE 47 29.563 2.188 -13.234 372 HB3 PHE 47 2HB PHE 47 28.472 2.394 -14.595 373 HD1 PHE 47 HD1 PHE 47 32.171 2.795 -14.123 374 HD2 PHE 47 HD2 PHE 47 28.987 0.991 -16.328 375 HE1 PHE 47 HE1 PHE 47 33.819 1.707 -15.610 376 HE2 PHE 47 HE2 PHE 47 30.633 -0.100 -17.815 377 HZ PHE 47 HZ PHE 47 33.050 0.259 -17.456 378 H GLY 48 H GLY 48 31.969 4.962 -14.741 379 HA2 GLY 48 1HA GLY 48 32.920 6.086 -16.532 380 HA3 GLY 48 2HA GLY 48 31.780 5.244 -17.566 381 H ASN 49 H ASN 49 30.929 6.761 -18.864 382 HA ASN 49 HA ASN 49 30.037 9.326 -17.629 383 HB2 ASN 49 1HB ASN 49 30.735 8.579 -20.482 384 HB3 ASN 49 2HB ASN 49 29.925 10.082 -20.060 385 HD21 ASN 49 1HD2 ASN 49 33.779 10.180 -20.120 386 HD22 ASN 49 2HD2 ASN 49 32.688 9.263 -21.106 387 H ASP 50 H ASP 50 28.657 6.630 -17.660 388 HA ASP 50 HA ASP 50 26.044 7.755 -18.498 389 HB2 ASP 50 1HB ASP 50 27.190 6.084 -20.236 390 HB3 ASP 50 2HB ASP 50 26.583 4.863 -19.127 391 H VAL 51 H VAL 51 24.241 6.156 -17.791 392 HA VAL 51 HA VAL 51 24.973 5.074 -15.102 393 HB VAL 51 HB VAL 51 22.378 6.493 -15.840 394 HG11 VAL 51 1HG1 VAL 51 21.929 6.413 -13.436 395 HG12 VAL 51 2HG1 VAL 51 22.088 4.787 -14.138 396 HG13 VAL 51 3HG1 VAL 51 23.425 5.480 -13.188 397 HG21 VAL 51 1HG2 VAL 51 23.216 8.311 -14.384 398 HG22 VAL 51 2HG2 VAL 51 24.750 7.433 -14.174 399 HG23 VAL 51 3HG2 VAL 51 24.292 8.055 -15.778 400 H GLN 52 H GLN 52 24.642 2.973 -14.968 401 HA GLN 52 HA GLN 52 22.830 1.692 -16.931 402 HB2 GLN 52 1HB GLN 52 24.924 0.556 -15.038 403 HB3 GLN 52 2HB GLN 52 23.896 -0.433 -16.067 404 HG2 GLN 52 1HG GLN 52 24.826 0.706 -18.059 405 HG3 GLN 52 2HG GLN 52 25.919 1.620 -16.981 406 HE21 GLN 52 1HE2 GLN 52 26.596 -2.383 -16.592 407 HE22 GLN 52 2HE2 GLN 52 25.076 -1.665 -16.174 408 H HIS 53 H HIS 53 21.308 0.087 -16.319 409 HA HIS 53 HA HIS 53 20.093 0.739 -13.660 410 HB2 HIS 53 1HB HIS 53 18.677 1.467 -15.482 411 HB3 HIS 53 2HB HIS 53 18.823 -0.087 -16.292 412 HD2 HIS 53 HD2 HIS 53 15.908 1.408 -14.773 413 HE1 HIS 53 HE1 HIS 53 16.089 -2.370 -12.839 414 H PHE 54 H PHE 54 20.435 -0.773 -12.202 415 HA PHE 54 HA PHE 54 20.171 -3.617 -13.052 416 HB2 PHE 54 1HB PHE 54 21.017 -2.544 -10.336 417 HB3 PHE 54 2HB PHE 54 21.136 -4.200 -10.905 418 HD1 PHE 54 HD1 PHE 54 22.064 -3.223 -13.779 419 HD2 PHE 54 HD2 PHE 54 23.378 -2.488 -9.781 420 HE1 PHE 54 HE1 PHE 54 24.346 -2.774 -14.615 421 HE2 PHE 54 HE2 PHE 54 25.662 -2.036 -10.614 422 HZ PHE 54 HZ PHE 54 26.146 -2.180 -13.032 423 H LYS 55 H LYS 55 18.702 -5.009 -12.093 424 HA LYS 55 HA LYS 55 16.315 -3.629 -11.006 425 HB2 LYS 55 1HB LYS 55 16.524 -6.558 -11.762 426 HB3 LYS 55 2HB LYS 55 15.073 -5.576 -11.617 427 HG2 LYS 55 1HG LYS 55 15.694 -4.304 -13.612 428 HG3 LYS 55 2HG LYS 55 17.208 -5.210 -13.740 429 HD2 LYS 55 1HD LYS 55 15.927 -7.310 -14.022 430 HD3 LYS 55 2HD LYS 55 14.414 -6.401 -13.900 431 HE2 LYS 55 1HE LYS 55 15.027 -5.100 -15.908 432 HE3 LYS 55 2HE LYS 55 16.547 -5.989 -16.028 433 HZ1 LYS 55 1HZ LYS 55 14.885 -6.884 -17.484 434 HZ2 LYS 55 2HZ LYS 55 15.279 -8.002 -16.336 435 HZ3 LYS 55 3HZ LYS 55 13.858 -7.171 -16.225 436 H VAL 56 H VAL 56 15.940 -3.540 -8.927 437 HA VAL 56 HA VAL 56 17.261 -5.559 -7.174 438 HB VAL 56 HB VAL 56 16.142 -2.801 -6.511 439 HG11 VAL 56 1HG1 VAL 56 17.171 -3.127 -4.315 440 HG12 VAL 56 2HG1 VAL 56 15.901 -4.328 -4.640 441 HG13 VAL 56 3HG1 VAL 56 17.615 -4.788 -4.771 442 HG21 VAL 56 1HG2 VAL 56 18.521 -2.206 -6.183 443 HG22 VAL 56 2HG2 VAL 56 18.999 -3.840 -6.701 444 HG23 VAL 56 3HG2 VAL 56 18.214 -2.734 -7.854 445 H LEU 57 H LEU 57 15.959 -7.188 -6.564 446 HA LEU 57 HA LEU 57 13.030 -6.657 -6.820 447 HB2 LEU 57 1HB LEU 57 14.433 -9.285 -7.375 448 HB3 LEU 57 2HB LEU 57 12.775 -8.835 -7.784 449 HG LEU 57 HG LEU 57 15.254 -7.592 -9.029 450 HD11 LEU 57 1HD1 LEU 57 14.676 -8.947 -10.991 451 HD12 LEU 57 2HD1 LEU 57 15.063 -9.962 -9.582 452 HD13 LEU 57 3HD1 LEU 57 13.368 -9.726 -10.069 453 HD21 LEU 57 1HD2 LEU 57 13.615 -6.699 -10.650 454 HD22 LEU 57 2HD2 LEU 57 12.291 -7.445 -9.723 455 HD23 LEU 57 3HD2 LEU 57 13.255 -6.136 -8.999 456 H ARG 58 H ARG 58 11.610 -7.559 -5.384 457 HA ARG 58 HA ARG 58 12.676 -8.570 -2.866 458 HB2 ARG 58 1HB ARG 58 9.854 -8.283 -3.942 459 HB3 ARG 58 2HB ARG 58 10.219 -8.918 -2.345 460 HG2 ARG 58 1HG ARG 58 11.167 -6.820 -1.645 461 HG3 ARG 58 2HG ARG 58 11.047 -6.166 -3.296 462 HD2 ARG 58 1HD ARG 58 8.713 -7.065 -1.625 463 HD3 ARG 58 2HD ARG 58 9.273 -5.385 -1.787 464 HE ARG 58 HE ARG 58 8.914 -6.214 -4.374 465 HH11 ARG 58 1HH1 ARG 58 6.887 -6.148 -1.507 466 HH12 ARG 58 2HH1 ARG 58 5.402 -5.943 -2.407 467 HH21 ARG 58 1HH2 ARG 58 6.980 -5.949 -5.534 468 HH22 ARG 58 2HH2 ARG 58 5.454 -5.830 -4.687 469 H ASP 59 H ASP 59 12.823 -10.619 -2.155 470 HA ASP 59 HA ASP 59 12.036 -12.795 -3.999 471 HB2 ASP 59 1HB ASP 59 13.287 -14.261 -2.526 472 HB3 ASP 59 2HB ASP 59 14.271 -12.850 -2.887 473 H GLY 60 H GLY 60 11.493 -14.836 -2.254 474 HA2 GLY 60 1HA GLY 60 8.663 -14.375 -1.929 475 HA3 GLY 60 2HA GLY 60 9.533 -15.836 -1.501 476 H ALA 61 H ALA 61 11.351 -13.743 0.066 477 HA ALA 61 HA ALA 61 9.861 -14.080 2.584 478 HB1 ALA 61 1HB ALA 61 11.955 -13.305 3.648 479 HB2 ALA 61 2HB ALA 61 12.244 -14.665 2.536 480 HB3 ALA 61 3HB ALA 61 12.651 -13.007 2.038 481 H GLY 62 H GLY 62 9.974 -11.788 0.178 482 HA2 GLY 62 1HA GLY 62 9.271 -9.547 0.156 483 HA3 GLY 62 2HA GLY 62 9.092 -9.589 1.900 484 H LYS 63 H LYS 63 12.081 -10.796 0.665 485 HA LYS 63 HA LYS 63 13.430 -8.353 1.717 486 HB2 LYS 63 1HB LYS 63 14.256 -11.264 1.566 487 HB3 LYS 63 2HB LYS 63 15.450 -9.992 1.780 488 HG2 LYS 63 1HG LYS 63 14.055 -9.238 3.802 489 HG3 LYS 63 2HG LYS 63 13.215 -10.787 3.647 490 HD2 LYS 63 1HD LYS 63 16.238 -10.625 3.779 491 HD3 LYS 63 2HD LYS 63 15.241 -10.675 5.241 492 HE2 LYS 63 1HE LYS 63 14.200 -12.793 4.409 493 HE3 LYS 63 2HE LYS 63 15.297 -12.757 3.026 494 HZ1 LYS 63 1HZ LYS 63 16.124 -14.155 4.772 495 HZ2 LYS 63 2HZ LYS 63 17.139 -12.871 4.559 496 HZ3 LYS 63 3HZ LYS 63 16.115 -12.907 5.850 497 H TYR 64 H TYR 64 15.275 -7.506 0.660 498 HA TYR 64 HA TYR 64 14.696 -7.536 -2.239 499 HB2 TYR 64 1HB TYR 64 16.208 -5.592 -0.454 500 HB3 TYR 64 2HB TYR 64 16.119 -5.425 -2.202 501 HD1 TYR 64 HD1 TYR 64 14.184 -5.347 0.938 502 HD2 TYR 64 HD2 TYR 64 14.130 -4.658 -3.296 503 HE1 TYR 64 HE1 TYR 64 12.042 -4.135 1.163 504 HE2 TYR 64 HE2 TYR 64 11.988 -3.445 -3.071 505 HH TYR 64 HH TYR 64 10.299 -2.935 -1.689 506 H PHE 65 H PHE 65 16.073 -8.092 -3.810 507 HA PHE 65 HA PHE 65 18.947 -8.341 -3.140 508 HB2 PHE 65 1HB PHE 65 19.172 -10.533 -4.096 509 HB3 PHE 65 2HB PHE 65 17.892 -10.621 -2.897 510 HD1 PHE 65 HD1 PHE 65 18.735 -10.890 -6.419 511 HD2 PHE 65 HD2 PHE 65 15.528 -10.773 -3.600 512 HE1 PHE 65 HE1 PHE 65 17.208 -11.827 -8.122 513 HE2 PHE 65 HE2 PHE 65 13.997 -11.713 -5.299 514 HZ PHE 65 HZ PHE 65 14.838 -12.238 -7.561 515 H LEU 66 H LEU 66 20.244 -8.787 -5.191 516 HA LEU 66 HA LEU 66 18.945 -7.498 -7.545 517 HB2 LEU 66 1HB LEU 66 20.448 -5.937 -6.154 518 HB3 LEU 66 2HB LEU 66 21.801 -6.925 -6.713 519 HG LEU 66 HG LEU 66 19.897 -5.459 -8.570 520 HD11 LEU 66 1HD1 LEU 66 21.713 -3.825 -8.816 521 HD12 LEU 66 2HD1 LEU 66 21.099 -3.880 -7.147 522 HD13 LEU 66 3HD1 LEU 66 22.642 -4.668 -7.554 523 HD21 LEU 66 1HD2 LEU 66 21.682 -5.905 -10.220 524 HD22 LEU 66 2HD2 LEU 66 22.612 -6.778 -8.979 525 HD23 LEU 66 3HD2 LEU 66 21.049 -7.422 -9.535 526 H TRP 67 H TRP 67 22.021 -9.042 -6.530 527 HA TRP 67 HA TRP 67 22.082 -10.453 -9.140 528 HB2 TRP 67 1HB TRP 67 24.196 -10.306 -6.953 529 HB3 TRP 67 2HB TRP 67 24.402 -11.020 -8.546 530 HD1 TRP 67 HD1 TRP 67 24.906 -7.839 -6.729 531 HE1 TRP 67 HE1 TRP 67 25.457 -5.909 -8.360 532 HE3 TRP 67 HE3 TRP 67 23.608 -10.132 -11.130 533 HZ2 TRP 67 HZ2 TRP 67 25.350 -5.449 -11.144 534 HZ3 TRP 67 HZ3 TRP 67 23.854 -8.890 -13.242 535 HH2 TRP 67 HH2 TRP 67 24.714 -6.586 -13.257 536 H VAL 68 H VAL 68 22.778 -12.764 -9.137 537 HA VAL 68 HA VAL 68 21.501 -14.547 -7.394 538 HB VAL 68 HB VAL 68 24.171 -14.804 -8.838 539 HG11 VAL 68 1HG1 VAL 68 23.944 -17.221 -8.530 540 HG12 VAL 68 2HG1 VAL 68 24.114 -16.364 -6.979 541 HG13 VAL 68 3HG1 VAL 68 22.517 -16.954 -7.500 542 HG21 VAL 68 1HG2 VAL 68 22.824 -16.115 -10.448 543 HG22 VAL 68 2HG2 VAL 68 21.366 -15.808 -9.475 544 HG23 VAL 68 3HG2 VAL 68 22.198 -14.458 -10.284 545 H VAL 69 H VAL 69 24.841 -13.233 -7.120 546 HA VAL 69 HA VAL 69 25.262 -13.977 -4.412 547 HB VAL 69 HB VAL 69 26.164 -11.530 -5.983 548 HG11 VAL 69 1HG1 VAL 69 27.833 -11.184 -4.226 549 HG12 VAL 69 2HG1 VAL 69 26.172 -10.996 -3.614 550 HG13 VAL 69 3HG1 VAL 69 27.086 -12.483 -3.264 551 HG21 VAL 69 1HG2 VAL 69 28.305 -12.767 -6.078 552 HG22 VAL 69 2HG2 VAL 69 27.566 -14.112 -5.177 553 HG23 VAL 69 3HG2 VAL 69 26.985 -13.707 -6.810 554 H LYS 70 H LYS 70 24.377 -13.367 -2.559 555 HA LYS 70 HA LYS 70 22.951 -10.777 -2.406 556 HB2 LYS 70 1HB LYS 70 21.233 -12.421 -3.096 557 HB3 LYS 70 2HB LYS 70 21.652 -13.447 -1.731 558 HG2 LYS 70 1HG LYS 70 20.957 -11.615 -0.185 559 HG3 LYS 70 2HG LYS 70 20.447 -10.669 -1.591 560 HD2 LYS 70 1HD LYS 70 18.877 -12.486 -2.229 561 HD3 LYS 70 2HD LYS 70 19.374 -13.403 -0.798 562 HE2 LYS 70 1HE LYS 70 18.583 -11.557 0.653 563 HE3 LYS 70 2HE LYS 70 18.074 -10.654 -0.776 564 HZ1 LYS 70 1HZ LYS 70 16.253 -11.830 0.219 565 HZ2 LYS 70 2HZ LYS 70 16.549 -12.434 -1.287 566 HZ3 LYS 70 3HZ LYS 70 17.023 -13.278 0.049 567 H PHE 71 H PHE 71 22.900 -9.857 -0.411 568 HA PHE 71 HA PHE 71 23.972 -11.510 1.838 569 HB2 PHE 71 1HB PHE 71 24.436 -8.563 1.241 570 HB3 PHE 71 2HB PHE 71 24.829 -9.317 2.778 571 HD1 PHE 71 HD1 PHE 71 25.559 -9.448 -0.862 572 HD2 PHE 71 HD2 PHE 71 26.845 -10.472 3.080 573 HE1 PHE 71 HE1 PHE 71 27.761 -10.124 -1.759 574 HE2 PHE 71 HE2 PHE 71 29.050 -11.148 2.188 575 HZ PHE 71 HZ PHE 71 29.506 -10.974 -0.233 576 H ASN 72 H ASN 72 23.539 -9.626 3.865 577 HA ASN 72 HA ASN 72 20.930 -10.616 4.510 578 HB2 ASN 72 1HB ASN 72 22.779 -8.651 5.887 579 HB3 ASN 72 2HB ASN 72 21.224 -9.117 6.560 580 HD21 ASN 72 1HD2 ASN 72 24.440 -11.506 6.919 581 HD22 ASN 72 2HD2 ASN 72 24.497 -9.945 6.172 582 H SER 73 H SER 73 22.014 -7.674 3.048 583 HA SER 73 HA SER 73 19.224 -6.797 2.768 584 HB2 SER 73 1HB SER 73 19.548 -4.614 3.739 585 HB3 SER 73 2HB SER 73 19.952 -5.828 4.943 586 HG SER 73 HG SER 73 21.893 -5.174 4.957 587 H LEU 74 H LEU 74 18.949 -5.095 1.213 588 HA LEU 74 HA LEU 74 20.632 -5.035 -1.023 589 HB2 LEU 74 1HB LEU 74 18.378 -4.117 -1.057 590 HB3 LEU 74 2HB LEU 74 18.830 -2.862 0.101 591 HG LEU 74 HG LEU 74 20.364 -1.883 -1.602 592 HD11 LEU 74 1HD1 LEU 74 20.200 -2.664 -3.923 593 HD12 LEU 74 2HD1 LEU 74 20.839 -3.930 -2.847 594 HD13 LEU 74 3HD1 LEU 74 19.148 -4.001 -3.399 595 HD21 LEU 74 1HD2 LEU 74 18.558 -0.988 -3.033 596 HD22 LEU 74 2HD2 LEU 74 17.482 -2.300 -2.497 597 HD23 LEU 74 3HD2 LEU 74 18.042 -1.077 -1.331 598 H ASN 75 H ASN 75 20.686 -2.956 1.869 599 HA ASN 75 HA ASN 75 22.689 -1.161 0.932 600 HB2 ASN 75 1HB ASN 75 21.834 -1.992 3.716 601 HB3 ASN 75 2HB ASN 75 23.075 -0.779 3.431 602 HD21 ASN 75 1HD2 ASN 75 19.748 0.845 3.852 603 HD22 ASN 75 2HD2 ASN 75 20.685 -0.273 4.784 604 H GLU 76 H GLU 76 22.901 -4.327 2.452 605 HA GLU 76 HA GLU 76 25.725 -4.084 3.069 606 HB2 GLU 76 1HB GLU 76 24.119 -5.594 4.288 607 HB3 GLU 76 2HB GLU 76 24.021 -6.599 2.849 608 HG2 GLU 76 1HG GLU 76 26.242 -7.327 3.052 609 HG3 GLU 76 2HG GLU 76 26.672 -6.017 4.150 610 H LEU 77 H LEU 77 23.826 -5.529 0.435 611 HA LEU 77 HA LEU 77 26.091 -6.993 -0.621 612 HB2 LEU 77 1HB LEU 77 24.615 -7.766 -2.285 613 HB3 LEU 77 2HB LEU 77 23.609 -7.581 -0.845 614 HG LEU 77 HG LEU 77 23.102 -5.199 -1.927 615 HD11 LEU 77 1HD1 LEU 77 23.034 -5.351 -4.376 616 HD12 LEU 77 2HD1 LEU 77 24.698 -5.460 -3.757 617 HD13 LEU 77 3HD1 LEU 77 23.852 -6.929 -4.301 618 HD21 LEU 77 1HD2 LEU 77 21.134 -6.242 -2.998 619 HD22 LEU 77 2HD2 LEU 77 21.926 -7.834 -2.905 620 HD23 LEU 77 3HD2 LEU 77 21.465 -6.980 -1.412 621 H VAL 78 H VAL 78 24.616 -3.861 -1.235 622 HA VAL 78 HA VAL 78 26.168 -3.334 -3.632 623 HB VAL 78 HB VAL 78 25.371 -1.020 -3.369 624 HG11 VAL 78 1HG1 VAL 78 22.962 -1.441 -3.447 625 HG12 VAL 78 2HG1 VAL 78 23.880 -2.643 -4.386 626 HG13 VAL 78 3HG1 VAL 78 23.227 -3.072 -2.787 627 HG21 VAL 78 1HG2 VAL 78 23.966 -0.411 -1.425 628 HG22 VAL 78 2HG2 VAL 78 24.269 -2.010 -0.706 629 HG23 VAL 78 3HG2 VAL 78 25.611 -0.859 -0.915 630 H ASP 79 H ASP 79 26.624 -2.917 -0.170 631 HA ASP 79 HA ASP 79 29.058 -1.374 -0.392 632 HB2 ASP 79 1HB ASP 79 27.664 -1.603 1.702 633 HB3 ASP 79 2HB ASP 79 28.215 -3.267 1.838 634 H TYR 80 H TYR 80 28.366 -4.870 -0.049 635 HA TYR 80 HA TYR 80 31.005 -5.819 -0.396 636 HB2 TYR 80 1HB TYR 80 29.211 -7.352 0.146 637 HB3 TYR 80 2HB TYR 80 28.339 -6.946 -1.326 638 HD1 TYR 80 HD1 TYR 80 31.485 -8.499 -0.073 639 HD2 TYR 80 HD2 TYR 80 28.697 -8.128 -3.313 640 HE1 TYR 80 HE1 TYR 80 32.610 -10.356 -1.254 641 HE2 TYR 80 HE2 TYR 80 29.822 -9.986 -4.494 642 HH TYR 80 HH TYR 80 31.481 -11.454 -4.455 643 H HIS 81 H HIS 81 28.563 -4.995 -2.870 644 HA HIS 81 HA HIS 81 30.542 -5.373 -5.020 645 HB2 HIS 81 1HB HIS 81 27.632 -4.516 -4.981 646 HB3 HIS 81 2HB HIS 81 28.606 -4.491 -6.444 647 HD2 HIS 81 HD2 HIS 81 26.257 -6.975 -4.700 648 HE1 HIS 81 HE1 HIS 81 28.999 -9.269 -6.998 649 H ARG 82 H ARG 82 30.237 -3.032 -2.782 650 HA ARG 82 HA ARG 82 31.102 -0.892 -4.620 651 HB2 ARG 82 1HB ARG 82 29.875 -0.251 -2.607 652 HB3 ARG 82 2HB ARG 82 31.049 -1.069 -1.588 653 HG2 ARG 82 1HG ARG 82 32.782 0.526 -2.275 654 HG3 ARG 82 2HG ARG 82 31.604 1.349 -3.325 655 HD2 ARG 82 1HD ARG 82 31.827 2.536 -1.262 656 HD3 ARG 82 2HD ARG 82 30.214 1.790 -1.350 657 HE ARG 82 HE ARG 82 30.747 0.424 0.426 658 HH11 ARG 82 1HH1 ARG 82 33.639 2.060 -0.716 659 HH12 ARG 82 2HH1 ARG 82 34.606 1.578 0.659 660 HH21 ARG 82 1HH2 ARG 82 32.013 -0.194 2.207 661 HH22 ARG 82 2HH2 ARG 82 33.687 0.302 2.314 662 H SER 83 H SER 83 32.492 -3.100 -2.190 663 HA SER 83 HA SER 83 35.209 -2.254 -2.575 664 HB2 SER 83 1HB SER 83 34.044 -4.888 -1.615 665 HB3 SER 83 2HB SER 83 35.752 -4.480 -1.553 666 HG SER 83 HG SER 83 33.591 -3.297 -0.227 667 H THR 84 H THR 84 33.153 -4.666 -4.155 668 HA THR 84 HA THR 84 35.317 -5.029 -6.179 669 HB THR 84 HB THR 84 33.501 -7.211 -5.065 670 HG1 THR 84 HG1 THR 84 36.099 -6.368 -4.538 671 HG21 THR 84 1HG2 THR 84 34.790 -8.709 -6.536 672 HG22 THR 84 2HG2 THR 84 33.933 -7.470 -7.484 673 HG23 THR 84 3HG2 THR 84 35.679 -7.312 -7.187 674 H SER 85 H SER 85 34.734 -5.041 -8.275 675 HA SER 85 HA SER 85 32.331 -3.760 -9.032 676 HB2 SER 85 1HB SER 85 34.253 -3.734 -10.485 677 HB3 SER 85 2HB SER 85 34.265 -5.486 -10.603 678 HG SER 85 HG SER 85 33.271 -4.820 -12.368 679 H VAL 86 H VAL 86 30.446 -4.452 -10.028 680 HA VAL 86 HA VAL 86 29.382 -6.933 -9.026 681 HB VAL 86 HB VAL 86 27.367 -6.341 -10.292 682 HG11 VAL 86 1HG1 VAL 86 26.924 -4.138 -9.323 683 HG12 VAL 86 2HG1 VAL 86 27.750 -5.217 -8.174 684 HG13 VAL 86 3HG1 VAL 86 28.662 -3.932 -9.002 685 HG21 VAL 86 1HG2 VAL 86 27.355 -4.348 -11.758 686 HG22 VAL 86 2HG2 VAL 86 29.107 -4.157 -11.510 687 HG23 VAL 86 3HG2 VAL 86 28.479 -5.586 -12.364 688 H SER 87 H SER 87 31.223 -6.126 -11.810 689 HA SER 87 HA SER 87 30.260 -8.582 -13.214 690 HB2 SER 87 1HB SER 87 29.283 -6.674 -14.328 691 HB3 SER 87 2HB SER 87 30.826 -5.835 -14.365 692 HG SER 87 HG SER 87 29.928 -7.221 -16.222 693 H ARG 88 H ARG 88 31.754 -9.684 -14.501 694 HA ARG 88 HA ARG 88 34.577 -9.189 -13.808 695 HB2 ARG 88 1HB ARG 88 33.233 -11.380 -15.425 696 HB3 ARG 88 2HB ARG 88 34.962 -11.295 -15.119 697 HG2 ARG 88 1HG ARG 88 34.555 -11.496 -12.704 698 HG3 ARG 88 2HG ARG 88 32.804 -11.582 -13.012 699 HD2 ARG 88 1HD ARG 88 33.137 -13.588 -14.339 700 HD3 ARG 88 2HD ARG 88 34.886 -13.502 -14.029 701 HE ARG 88 HE ARG 88 33.532 -13.475 -11.552 702 HH11 ARG 88 1HH1 ARG 88 34.151 -15.635 -14.253 703 HH12 ARG 88 2HH1 ARG 88 34.058 -17.084 -13.277 704 HH21 ARG 88 1HH2 ARG 88 33.413 -15.363 -10.296 705 HH22 ARG 88 2HH2 ARG 88 33.640 -16.932 -11.038 706 H ASN 89 H ASN 89 32.438 -8.086 -16.106 707 HA ASN 89 HA ASN 89 34.639 -7.708 -18.096 708 HB2 ASN 89 1HB ASN 89 31.635 -7.790 -18.524 709 HB3 ASN 89 2HB ASN 89 32.807 -7.357 -19.761 710 HD21 ASN 89 1HD2 ASN 89 31.986 -11.199 -18.961 711 HD22 ASN 89 2HD2 ASN 89 31.139 -9.868 -18.248 712 H GLN 90 H GLN 90 32.129 -6.181 -16.183 713 HA GLN 90 HA GLN 90 33.111 -3.532 -17.153 714 HB2 GLN 90 1HB GLN 90 30.517 -4.146 -15.685 715 HB3 GLN 90 2HB GLN 90 30.997 -2.596 -16.363 716 HG2 GLN 90 1HG GLN 90 30.957 -3.591 -18.625 717 HG3 GLN 90 2HG GLN 90 30.390 -5.124 -17.907 718 HE21 GLN 90 1HE2 GLN 90 27.623 -2.742 -19.157 719 HE22 GLN 90 2HE2 GLN 90 29.183 -3.079 -19.831 720 H GLN 91 H GLN 91 33.765 -1.970 -15.735 721 HA GLN 91 HA GLN 91 34.426 -2.979 -13.018 722 HB2 GLN 91 1HB GLN 91 35.486 -0.605 -14.603 723 HB3 GLN 91 2HB GLN 91 35.966 -0.987 -12.956 724 HG2 GLN 91 1HG GLN 91 36.310 -2.895 -15.274 725 HG3 GLN 91 2HG GLN 91 37.554 -1.736 -14.729 726 HE21 GLN 91 1HE2 GLN 91 37.267 -5.324 -13.010 727 HE22 GLN 91 2HE2 GLN 91 36.535 -4.884 -14.517 728 H ILE 92 H ILE 92 32.276 -2.738 -12.207 729 HA ILE 92 HA ILE 92 31.454 0.116 -11.859 730 HB ILE 92 HB ILE 92 29.606 -2.301 -12.020 731 HG12 ILE 92 1HG1 ILE 92 30.516 -0.350 -14.126 732 HG13 ILE 92 2HG1 ILE 92 30.493 -2.106 -14.184 733 HG21 ILE 92 1HG2 ILE 92 27.849 -0.588 -12.220 734 HG22 ILE 92 2HG2 ILE 92 28.741 -0.415 -10.691 735 HG23 ILE 92 3HG2 ILE 92 29.072 0.692 -12.043 736 HD11 ILE 92 1HD1 ILE 92 28.738 -1.159 -15.576 737 HD12 ILE 92 2HD1 ILE 92 28.036 -2.086 -14.228 738 HD13 ILE 92 3HD1 ILE 92 28.059 -0.307 -14.169 739 H PHE 93 H PHE 93 31.805 0.749 -9.857 740 HA PHE 93 HA PHE 93 31.452 -1.264 -7.675 741 HB2 PHE 93 1HB PHE 93 33.210 1.223 -7.684 742 HB3 PHE 93 2HB PHE 93 33.084 0.048 -6.385 743 HD1 PHE 93 HD1 PHE 93 34.177 0.508 -9.897 744 HD2 PHE 93 HD2 PHE 93 34.353 -1.939 -6.399 745 HE1 PHE 93 HE1 PHE 93 36.007 -0.808 -10.912 746 HE2 PHE 93 HE2 PHE 93 36.186 -3.256 -7.410 747 HZ PHE 93 HZ PHE 93 37.011 -2.690 -9.669 748 H LEU 94 H LEU 94 29.651 -0.984 -6.559 749 HA LEU 94 HA LEU 94 28.065 1.391 -7.010 750 HB2 LEU 94 1HB LEU 94 27.632 -0.946 -5.116 751 HB3 LEU 94 2HB LEU 94 26.425 0.278 -5.521 752 HG LEU 94 HG LEU 94 27.580 -1.858 -7.337 753 HD11 LEU 94 1HD1 LEU 94 25.224 -2.529 -7.494 754 HD12 LEU 94 2HD1 LEU 94 25.806 -2.560 -5.812 755 HD13 LEU 94 3HD1 LEU 94 24.777 -1.221 -6.374 756 HD21 LEU 94 1HD2 LEU 94 26.174 -0.859 -9.108 757 HD22 LEU 94 2HD2 LEU 94 25.739 0.475 -8.011 758 HD23 LEU 94 3HD2 LEU 94 27.423 0.286 -8.559 759 H ARG 95 H ARG 95 29.528 3.000 -6.152 760 HA ARG 95 HA ARG 95 30.043 3.036 -3.282 761 HB2 ARG 95 1HB ARG 95 30.375 5.173 -5.413 762 HB3 ARG 95 2HB ARG 95 30.903 5.336 -3.746 763 HG2 ARG 95 1HG ARG 95 32.495 3.519 -4.027 764 HG3 ARG 95 2HG ARG 95 31.912 3.239 -5.686 765 HD2 ARG 95 1HD ARG 95 32.563 5.563 -6.231 766 HD3 ARG 95 2HD ARG 95 33.290 5.686 -4.613 767 HE ARG 95 HE ARG 95 34.282 4.157 -6.902 768 HH11 ARG 95 1HH1 ARG 95 34.508 4.823 -3.461 769 HH12 ARG 95 2HH1 ARG 95 36.131 4.186 -3.317 770 HH21 ARG 95 1HH2 ARG 95 36.388 3.333 -6.703 771 HH22 ARG 95 2HH2 ARG 95 37.196 3.343 -5.151 772 H ASP 96 H ASP 96 29.138 4.348 -1.728 773 HA ASP 96 HA ASP 96 26.441 5.392 -2.414 774 HB2 ASP 96 1HB ASP 96 26.676 3.771 -0.516 775 HB3 ASP 96 2HB ASP 96 27.707 4.926 0.316 Start of MODEL 11 1 H1 MET 1 1H MET 1 -1.926 3.036 -2.748 2 H2 MET 1 2H MET 1 -1.468 4.478 -2.136 3 H3 MET 1 3H MET 1 -1.009 4.048 -3.642 4 HA MET 1 HA MET 1 -0.192 2.771 -1.158 5 HB2 MET 1 1HB MET 1 -0.411 1.173 -3.033 6 HB3 MET 1 2HB MET 1 0.599 2.199 -4.043 7 HG2 MET 1 1HG MET 1 2.518 1.814 -2.596 8 HG3 MET 1 2HG MET 1 1.522 0.889 -1.469 9 HE1 MET 1 1HE MET 1 3.935 -1.723 -3.262 10 HE2 MET 1 2HE MET 1 4.306 -0.006 -2.969 11 HE3 MET 1 3HE MET 1 3.501 -0.971 -1.707 12 H LYS 2 H LYS 2 0.831 4.375 -0.136 13 HA LYS 2 HA LYS 2 2.400 6.390 -1.423 14 HB2 LYS 2 1HB LYS 2 1.494 6.587 0.888 15 HB3 LYS 2 2HB LYS 2 2.598 5.329 1.425 16 HG2 LYS 2 1HG LYS 2 4.522 6.753 0.868 17 HG3 LYS 2 2HG LYS 2 3.426 8.013 0.283 18 HD2 LYS 2 1HD LYS 2 2.421 8.197 2.530 19 HD3 LYS 2 2HD LYS 2 3.493 6.917 3.119 20 HE2 LYS 2 1HE LYS 2 5.460 8.317 2.586 21 HE3 LYS 2 2HE LYS 2 4.396 9.593 1.990 22 HZ1 LYS 2 1HZ LYS 2 5.089 9.999 4.236 23 HZ2 LYS 2 2HZ LYS 2 3.457 9.759 4.192 24 HZ3 LYS 2 3HZ LYS 2 4.452 8.567 4.750 25 HA PRO 3 HA PRO 3 5.874 3.951 -2.423 26 HB2 PRO 3 1HB PRO 3 7.477 5.928 -3.435 27 HB3 PRO 3 2HB PRO 3 6.041 5.358 -4.295 28 HG2 PRO 3 1HG PRO 3 6.340 7.792 -2.481 29 HG3 PRO 3 2HG PRO 3 5.616 7.711 -4.090 30 HD2 PRO 3 1HD PRO 3 4.078 7.619 -1.845 31 HD3 PRO 3 2HD PRO 3 3.647 6.668 -3.322 32 H HIS 4 H HIS 4 8.298 3.973 -1.982 33 HA HIS 4 HA HIS 4 8.735 4.368 0.849 34 HB2 HIS 4 1HB HIS 4 10.552 3.576 -1.445 35 HB3 HIS 4 2HB HIS 4 11.143 3.767 0.200 36 HD2 HIS 4 HD2 HIS 4 8.965 1.287 -1.896 37 HE1 HIS 4 HE1 HIS 4 9.551 -0.365 1.989 38 HA PRO 5 HA PRO 5 10.270 8.482 0.695 39 HB2 PRO 5 1HB PRO 5 11.183 8.670 3.262 40 HB3 PRO 5 2HB PRO 5 9.453 8.641 2.893 41 HG2 PRO 5 1HG PRO 5 11.256 6.353 3.787 42 HG3 PRO 5 2HG PRO 5 9.665 6.799 4.407 43 HD2 PRO 5 1HD PRO 5 9.990 4.818 2.543 44 HD3 PRO 5 2HD PRO 5 8.520 5.872 2.578 45 H TRP 6 H TRP 6 12.015 5.571 1.088 46 HA TRP 6 HA TRP 6 14.637 6.481 1.656 47 HB2 TRP 6 1HB TRP 6 13.677 4.123 -0.012 48 HB3 TRP 6 2HB TRP 6 15.355 4.380 0.441 49 HD1 TRP 6 HD1 TRP 6 12.315 2.665 1.610 50 HE1 TRP 6 HE1 TRP 6 12.558 1.876 4.060 51 HE3 TRP 6 HE3 TRP 6 16.482 5.363 2.895 52 HZ2 TRP 6 HZ2 TRP 6 14.301 2.349 6.230 53 HZ3 TRP 6 HZ3 TRP 6 17.387 5.151 5.176 54 HH2 TRP 6 HH2 TRP 6 16.320 3.667 6.822 55 H PHE 7 H PHE 7 16.309 7.237 0.461 56 HA PHE 7 HA PHE 7 17.204 8.619 -1.153 57 HB2 PHE 7 1HB PHE 7 16.104 6.261 -2.606 58 HB3 PHE 7 2HB PHE 7 16.480 7.660 -3.601 59 HD1 PHE 7 HD1 PHE 7 17.885 5.167 -1.268 60 HD2 PHE 7 HD2 PHE 7 18.730 8.310 -4.037 61 HE1 PHE 7 HE1 PHE 7 20.271 4.524 -1.267 62 HE2 PHE 7 HE2 PHE 7 21.118 7.667 -4.039 63 HZ PHE 7 HZ PHE 7 21.889 5.774 -2.653 64 H PHE 8 H PHE 8 14.658 7.862 -3.421 65 HA PHE 8 HA PHE 8 13.613 10.635 -3.099 66 HB2 PHE 8 1HB PHE 8 14.685 9.408 -5.672 67 HB3 PHE 8 2HB PHE 8 13.767 10.903 -5.595 68 HD1 PHE 8 HD1 PHE 8 16.958 9.283 -4.760 69 HD2 PHE 8 HD2 PHE 8 14.752 12.942 -4.780 70 HE1 PHE 8 HE1 PHE 8 19.047 10.543 -4.360 71 HE2 PHE 8 HE2 PHE 8 16.839 14.205 -4.382 72 HZ PHE 8 HZ PHE 8 18.988 13.005 -4.170 73 H GLY 9 H GLY 9 12.785 7.594 -2.906 74 HA2 GLY 9 1HA GLY 9 10.894 6.328 -3.349 75 HA3 GLY 9 2HA GLY 9 10.045 7.850 -3.535 76 H LYS 10 H LYS 10 8.918 7.796 -5.374 77 HA LYS 10 HA LYS 10 9.894 6.305 -7.700 78 HB2 LYS 10 1HB LYS 10 7.402 7.982 -7.219 79 HB3 LYS 10 2HB LYS 10 7.752 7.183 -8.746 80 HG2 LYS 10 1HG LYS 10 7.661 4.999 -7.688 81 HG3 LYS 10 2HG LYS 10 7.473 5.742 -6.094 82 HD2 LYS 10 1HD LYS 10 5.317 6.664 -6.705 83 HD3 LYS 10 2HD LYS 10 5.524 6.159 -8.389 84 HE2 LYS 10 1HE LYS 10 5.491 3.800 -7.714 85 HE3 LYS 10 2HE LYS 10 5.375 4.264 -6.014 86 HZ1 LYS 10 1HZ LYS 10 3.244 3.696 -6.921 87 HZ2 LYS 10 2HZ LYS 10 3.262 5.291 -6.499 88 HZ3 LYS 10 3HZ LYS 10 3.369 4.857 -8.087 89 H ILE 11 H ILE 11 11.865 7.898 -7.466 90 HA ILE 11 HA ILE 11 11.513 10.408 -8.900 91 HB ILE 11 HB ILE 11 13.380 9.917 -7.231 92 HG12 ILE 11 1HG1 ILE 11 14.128 10.921 -9.987 93 HG13 ILE 11 2HG1 ILE 11 13.408 11.867 -8.694 94 HG21 ILE 11 1HG2 ILE 11 15.372 8.773 -8.115 95 HG22 ILE 11 2HG2 ILE 11 13.973 7.675 -8.068 96 HG23 ILE 11 3HG2 ILE 11 14.492 8.388 -9.613 97 HD11 ILE 11 1HD1 ILE 11 15.799 12.275 -8.853 98 HD12 ILE 11 2HD1 ILE 11 15.399 11.501 -7.301 99 HD13 ILE 11 3HD1 ILE 11 16.129 10.544 -8.612 100 HA PRO 12 HA PRO 12 11.820 8.713 -12.983 101 HB2 PRO 12 1HB PRO 12 12.169 11.039 -14.352 102 HB3 PRO 12 2HB PRO 12 10.606 10.620 -13.639 103 HG2 PRO 12 1HG PRO 12 12.800 12.413 -12.502 104 HG3 PRO 12 2HG PRO 12 11.080 12.773 -12.673 105 HD2 PRO 12 1HD PRO 12 12.105 11.876 -10.315 106 HD3 PRO 12 2HD PRO 12 10.452 11.391 -10.867 107 H ARG 13 H ARG 13 13.538 8.127 -14.301 108 HA ARG 13 HA ARG 13 16.233 8.501 -13.529 109 HB2 ARG 13 1HB ARG 13 15.031 7.879 -16.246 110 HB3 ARG 13 2HB ARG 13 16.753 7.821 -15.903 111 HG2 ARG 13 1HG ARG 13 16.508 5.983 -14.429 112 HG3 ARG 13 2HG ARG 13 14.740 6.177 -14.362 113 HD2 ARG 13 1HD ARG 13 15.305 4.329 -15.770 114 HD3 ARG 13 2HD ARG 13 14.634 5.648 -16.758 115 HE ARG 13 HE ARG 13 17.457 5.880 -16.687 116 HH11 ARG 13 1HH1 ARG 13 14.935 3.820 -18.006 117 HH12 ARG 13 2HH1 ARG 13 15.888 3.321 -19.385 118 HH21 ARG 13 1HH2 ARG 13 18.684 5.225 -18.483 119 HH22 ARG 13 2HH2 ARG 13 18.011 4.117 -19.655 120 H ALA 14 H ALA 14 14.105 10.454 -15.548 121 HA ALA 14 HA ALA 14 15.822 12.218 -16.778 122 HB1 ALA 14 1HB ALA 14 14.110 13.966 -16.418 123 HB2 ALA 14 2HB ALA 14 13.378 12.415 -16.890 124 HB3 ALA 14 3HB ALA 14 13.332 12.940 -15.191 125 H LYS 15 H LYS 15 15.134 11.998 -13.323 126 HA LYS 15 HA LYS 15 16.837 14.390 -12.848 127 HB2 LYS 15 1HB LYS 15 14.451 13.995 -11.811 128 HB3 LYS 15 2HB LYS 15 15.295 12.918 -10.706 129 HG2 LYS 15 1HG LYS 15 15.141 15.009 -9.614 130 HG3 LYS 15 2HG LYS 15 16.824 14.862 -10.140 131 HD2 LYS 15 1HD LYS 15 16.180 16.190 -12.213 132 HD3 LYS 15 2HD LYS 15 14.621 16.498 -11.436 133 HE2 LYS 15 1HE LYS 15 15.657 17.677 -9.621 134 HE3 LYS 15 2HE LYS 15 17.270 17.149 -10.107 135 HZ1 LYS 15 1HZ LYS 15 16.842 19.400 -10.769 136 HZ2 LYS 15 2HZ LYS 15 17.030 18.453 -12.107 137 HZ3 LYS 15 3HZ LYS 15 15.524 18.947 -11.652 138 H ALA 16 H ALA 16 16.511 10.961 -11.980 139 HA ALA 16 HA ALA 16 18.661 10.910 -10.116 140 HB1 ALA 16 1HB ALA 16 18.620 8.460 -10.455 141 HB2 ALA 16 2HB ALA 16 16.982 9.125 -10.250 142 HB3 ALA 16 3HB ALA 16 17.566 8.682 -11.870 143 H GLU 17 H GLU 17 18.556 10.386 -13.624 144 HA GLU 17 HA GLU 17 21.389 9.730 -13.773 145 HB2 GLU 17 1HB GLU 17 19.390 10.503 -15.937 146 HB3 GLU 17 2HB GLU 17 21.025 9.931 -16.240 147 HG2 GLU 17 1HG GLU 17 20.432 7.803 -15.056 148 HG3 GLU 17 2HG GLU 17 18.772 8.384 -14.945 149 H GLU 18 H GLU 18 19.395 12.622 -14.266 150 HA GLU 18 HA GLU 18 21.445 14.375 -15.144 151 HB2 GLU 18 1HB GLU 18 19.081 15.021 -15.142 152 HB3 GLU 18 2HB GLU 18 19.017 14.916 -13.388 153 HG2 GLU 18 1HG GLU 18 20.644 16.769 -13.227 154 HG3 GLU 18 2HG GLU 18 20.669 16.884 -14.986 155 H MET 19 H MET 19 20.417 13.477 -11.847 156 HA MET 19 HA MET 19 22.203 15.266 -10.512 157 HB2 MET 19 1HB MET 19 20.721 12.761 -9.693 158 HB3 MET 19 2HB MET 19 21.856 13.526 -8.589 159 HG2 MET 19 1HG MET 19 20.536 15.660 -8.839 160 HG3 MET 19 2HG MET 19 19.343 14.743 -9.761 161 HE1 MET 19 1HE MET 19 17.546 12.568 -7.234 162 HE2 MET 19 2HE MET 19 17.439 13.476 -8.762 163 HE3 MET 19 3HE MET 19 18.633 12.167 -8.585 164 H LEU 20 H LEU 20 22.518 11.842 -11.439 165 HA LEU 20 HA LEU 20 24.998 11.373 -10.146 166 HB2 LEU 20 1HB LEU 20 23.749 10.148 -12.625 167 HB3 LEU 20 2HB LEU 20 25.251 9.556 -11.909 168 HG LEU 20 HG LEU 20 22.592 9.658 -10.443 169 HD11 LEU 20 1HD1 LEU 20 22.513 7.238 -10.842 170 HD12 LEU 20 2HD1 LEU 20 22.471 8.157 -12.365 171 HD13 LEU 20 3HD1 LEU 20 23.975 7.356 -11.850 172 HD21 LEU 20 1HD2 LEU 20 23.767 8.156 -8.870 173 HD22 LEU 20 2HD2 LEU 20 25.248 8.286 -9.850 174 HD23 LEU 20 3HD2 LEU 20 24.607 9.719 -9.010 175 H SER 21 H SER 21 24.251 12.611 -13.396 176 HA SER 21 HA SER 21 26.946 12.515 -14.359 177 HB2 SER 21 1HB SER 21 26.153 13.820 -16.200 178 HB3 SER 21 2HB SER 21 24.872 12.699 -15.765 179 HG SER 21 HG SER 21 24.177 14.535 -14.360 180 H LYS 22 H LYS 22 25.367 14.608 -12.152 181 HA LYS 22 HA LYS 22 27.254 16.832 -12.657 182 HB2 LYS 22 1HB LYS 22 24.872 16.536 -10.789 183 HB3 LYS 22 2HB LYS 22 25.914 17.951 -10.811 184 HG2 LYS 22 1HG LYS 22 25.311 18.367 -13.167 185 HG3 LYS 22 2HG LYS 22 24.264 16.941 -13.146 186 HD2 LYS 22 1HD LYS 22 22.894 17.951 -11.365 187 HD3 LYS 22 2HD LYS 22 23.958 19.365 -11.335 188 HE2 LYS 22 1HE LYS 22 23.373 19.866 -13.681 189 HE3 LYS 22 2HE LYS 22 22.325 18.446 -13.730 190 HZ1 LYS 22 1HZ LYS 22 21.087 20.441 -13.311 191 HZ2 LYS 22 2HZ LYS 22 20.990 19.442 -12.002 192 HZ3 LYS 22 3HZ LYS 22 21.969 20.770 -11.957 193 H GLN 23 H GLN 23 27.096 14.012 -10.818 194 HA GLN 23 HA GLN 23 28.567 15.006 -8.506 195 HB2 GLN 23 1HB GLN 23 28.145 12.152 -9.481 196 HB3 GLN 23 2HB GLN 23 28.774 12.618 -7.907 197 HG2 GLN 23 1HG GLN 23 25.989 13.070 -8.984 198 HG3 GLN 23 2HG GLN 23 26.496 12.022 -7.629 199 HE21 GLN 23 1HE2 GLN 23 25.329 15.746 -6.899 200 HE22 GLN 23 2HE2 GLN 23 24.983 14.843 -8.336 201 H ARG 24 H ARG 24 29.343 13.830 -11.681 202 HA ARG 24 HA ARG 24 31.345 13.369 -12.725 203 HB2 ARG 24 1HB ARG 24 32.626 15.172 -10.656 204 HB3 ARG 24 2HB ARG 24 33.155 14.871 -12.304 205 HG2 ARG 24 1HG ARG 24 30.767 16.477 -11.390 206 HG3 ARG 24 2HG ARG 24 32.207 17.034 -12.275 207 HD2 ARG 24 1HD ARG 24 30.159 15.094 -13.324 208 HD3 ARG 24 2HD ARG 24 30.222 16.834 -13.690 209 HE ARG 24 HE ARG 24 32.707 16.001 -14.385 210 HH11 ARG 24 1HH1 ARG 24 29.493 14.813 -15.161 211 HH12 ARG 24 2HH1 ARG 24 29.961 14.204 -16.732 212 HH21 ARG 24 1HH2 ARG 24 33.302 15.207 -16.428 213 HH22 ARG 24 2HH2 ARG 24 32.116 14.427 -17.451 214 H HIS 25 H HIS 25 30.569 11.501 -10.754 215 HA HIS 25 HA HIS 25 33.253 10.443 -10.009 216 HB2 HIS 25 1HB HIS 25 32.535 11.448 -7.949 217 HB3 HIS 25 2HB HIS 25 30.908 10.807 -8.120 218 HD2 HIS 25 HD2 HIS 25 30.594 8.620 -6.360 219 HE1 HIS 25 HE1 HIS 25 34.609 7.253 -6.631 220 H ASP 26 H ASP 26 33.278 8.807 -11.427 221 HA ASP 26 HA ASP 26 31.056 7.133 -12.053 222 HB2 ASP 26 1HB ASP 26 34.050 6.873 -12.311 223 HB3 ASP 26 2HB ASP 26 33.039 5.465 -12.603 224 H GLY 27 H GLY 27 30.365 5.171 -11.298 225 HA2 GLY 27 1HA GLY 27 30.464 3.330 -9.705 226 HA3 GLY 27 2HA GLY 27 31.467 4.315 -8.657 227 H ALA 28 H ALA 28 29.790 6.734 -9.102 228 HA ALA 28 HA ALA 28 28.026 6.433 -6.896 229 HB1 ALA 28 1HB ALA 28 27.148 8.649 -7.558 230 HB2 ALA 28 2HB ALA 28 28.928 8.608 -7.589 231 HB3 ALA 28 3HB ALA 28 28.009 8.517 -9.109 232 H PHE 29 H PHE 29 25.770 6.400 -6.742 233 HA PHE 29 HA PHE 29 24.291 5.505 -9.137 234 HB2 PHE 29 1HB PHE 29 23.598 3.393 -8.114 235 HB3 PHE 29 2HB PHE 29 25.346 3.439 -8.280 236 HD1 PHE 29 HD1 PHE 29 22.547 3.306 -5.969 237 HD2 PHE 29 HD2 PHE 29 26.781 3.771 -6.294 238 HE1 PHE 29 HE1 PHE 29 22.785 2.799 -3.561 239 HE2 PHE 29 HE2 PHE 29 27.025 3.261 -3.888 240 HZ PHE 29 HZ PHE 29 25.024 2.777 -2.521 241 H LEU 30 H LEU 30 21.980 5.145 -8.683 242 HA LEU 30 HA LEU 30 21.047 6.473 -6.188 243 HB2 LEU 30 1HB LEU 30 21.070 8.028 -8.243 244 HB3 LEU 30 2HB LEU 30 19.771 7.015 -8.881 245 HG LEU 30 HG LEU 30 19.417 8.155 -6.135 246 HD11 LEU 30 1HD1 LEU 30 18.605 10.270 -7.082 247 HD12 LEU 30 2HD1 LEU 30 20.340 10.032 -7.394 248 HD13 LEU 30 3HD1 LEU 30 19.155 9.758 -8.695 249 HD21 LEU 30 1HD2 LEU 30 17.085 8.277 -6.941 250 HD22 LEU 30 2HD2 LEU 30 17.612 7.739 -8.553 251 HD23 LEU 30 3HD2 LEU 30 17.752 6.641 -7.159 252 H ILE 31 H ILE 31 19.621 5.287 -5.144 253 HA ILE 31 HA ILE 31 18.316 3.059 -6.618 254 HB ILE 31 HB ILE 31 18.856 3.534 -3.665 255 HG12 ILE 31 1HG1 ILE 31 19.638 1.167 -5.357 256 HG13 ILE 31 2HG1 ILE 31 20.622 2.621 -5.300 257 HG21 ILE 31 1HG2 ILE 31 17.711 1.395 -3.248 258 HG22 ILE 31 2HG2 ILE 31 16.589 2.602 -3.917 259 HG23 ILE 31 3HG2 ILE 31 17.234 1.313 -4.960 260 HD11 ILE 31 1HD1 ILE 31 21.433 0.950 -3.731 261 HD12 ILE 31 2HD1 ILE 31 20.845 2.389 -2.863 262 HD13 ILE 31 3HD1 ILE 31 19.849 0.916 -2.922 263 H ARG 32 H ARG 32 16.181 2.910 -6.899 264 HA ARG 32 HA ARG 32 14.417 4.864 -5.544 265 HB2 ARG 32 1HB ARG 32 13.592 5.829 -7.566 266 HB3 ARG 32 2HB ARG 32 15.343 5.962 -7.614 267 HG2 ARG 32 1HG ARG 32 15.333 3.848 -9.040 268 HG3 ARG 32 2HG ARG 32 13.574 4.083 -9.174 269 HD2 ARG 32 1HD ARG 32 14.034 6.386 -9.994 270 HD3 ARG 32 2HD ARG 32 15.758 5.952 -10.048 271 HE ARG 32 HE ARG 32 13.652 5.090 -11.858 272 HH11 ARG 32 1HH1 ARG 32 16.875 4.448 -10.620 273 HH12 ARG 32 2HH1 ARG 32 17.368 3.528 -12.025 274 HH21 ARG 32 1HH2 ARG 32 14.302 3.895 -13.676 275 HH22 ARG 32 2HH2 ARG 32 15.912 3.214 -13.755 276 H GLU 33 H GLU 33 12.150 4.461 -5.881 277 HA GLU 33 HA GLU 33 11.627 1.578 -6.194 278 HB2 GLU 33 1HB GLU 33 10.653 2.765 -4.268 279 HB3 GLU 33 2HB GLU 33 9.823 3.879 -5.346 280 HG2 GLU 33 1HG GLU 33 8.465 2.057 -6.235 281 HG3 GLU 33 2HG GLU 33 9.333 0.895 -5.232 282 H SER 34 H SER 34 10.540 0.624 -7.797 283 HA SER 34 HA SER 34 10.304 1.999 -10.300 284 HB2 SER 34 1HB SER 34 10.736 -0.384 -10.223 285 HB3 SER 34 2HB SER 34 9.240 -0.677 -9.349 286 HG SER 34 HG SER 34 9.691 -0.326 -11.981 287 H GLU 35 H GLU 35 8.614 2.873 -11.368 288 HA GLU 35 HA GLU 35 6.113 3.292 -9.878 289 HB2 GLU 35 1HB GLU 35 6.990 4.208 -12.646 290 HB3 GLU 35 2HB GLU 35 5.480 4.666 -11.871 291 HG2 GLU 35 1HG GLU 35 6.811 5.697 -10.019 292 HG3 GLU 35 2HG GLU 35 8.274 5.344 -10.935 293 H SER 36 H SER 36 7.368 0.917 -11.882 294 HA SER 36 HA SER 36 4.684 0.236 -12.991 295 HB2 SER 36 1HB SER 36 5.879 -1.186 -14.568 296 HB3 SER 36 2HB SER 36 6.516 0.450 -14.626 297 HG SER 36 HG SER 36 7.920 -0.638 -12.825 298 H ALA 37 H ALA 37 7.181 -0.782 -10.788 299 HA ALA 37 HA ALA 37 5.368 -2.987 -9.959 300 HB1 ALA 37 1HB ALA 37 7.322 -4.433 -9.503 301 HB2 ALA 37 2HB ALA 37 7.192 -4.025 -11.230 302 HB3 ALA 37 3HB ALA 37 8.390 -3.198 -10.208 303 HA PRO 38 HA PRO 38 6.306 0.005 -6.591 304 HB2 PRO 38 1HB PRO 38 3.621 -1.214 -5.821 305 HB3 PRO 38 2HB PRO 38 4.177 0.452 -5.627 306 HG2 PRO 38 1HG PRO 38 2.545 -0.092 -7.651 307 HG3 PRO 38 2HG PRO 38 3.938 0.951 -7.945 308 HD2 PRO 38 1HD PRO 38 3.579 -1.999 -8.591 309 HD3 PRO 38 2HD PRO 38 4.352 -0.698 -9.583 310 H GLY 39 H GLY 39 7.231 -0.518 -4.649 311 HA2 GLY 39 1HA GLY 39 7.579 -1.891 -2.705 312 HA3 GLY 39 2HA GLY 39 6.835 -3.247 -3.532 313 H ASP 40 H ASP 40 8.442 -2.520 -6.026 314 HA ASP 40 HA ASP 40 11.014 -3.738 -5.134 315 HB2 ASP 40 1HB ASP 40 9.661 -3.649 -7.858 316 HB3 ASP 40 2HB ASP 40 11.294 -4.250 -7.603 317 H PHE 41 H PHE 41 12.993 -3.025 -6.147 318 HA PHE 41 HA PHE 41 12.885 -0.073 -6.610 319 HB2 PHE 41 1HB PHE 41 14.870 -1.790 -5.089 320 HB3 PHE 41 2HB PHE 41 15.289 -0.181 -5.656 321 HD1 PHE 41 HD1 PHE 41 13.051 -2.088 -3.422 322 HD2 PHE 41 HD2 PHE 41 14.472 1.774 -4.570 323 HE1 PHE 41 HE1 PHE 41 12.016 -1.109 -1.402 324 HE2 PHE 41 HE2 PHE 41 13.441 2.757 -2.549 325 HZ PHE 41 HZ PHE 41 12.211 1.314 -0.965 326 H SER 42 H SER 42 14.220 0.845 -8.177 327 HA SER 42 HA SER 42 15.971 -1.057 -9.672 328 HB2 SER 42 1HB SER 42 14.917 1.692 -10.402 329 HB3 SER 42 2HB SER 42 16.121 0.825 -11.342 330 HG SER 42 HG SER 42 14.633 -0.312 -12.147 331 H LEU 43 H LEU 43 18.132 -0.477 -10.121 332 HA LEU 43 HA LEU 43 19.217 1.653 -8.325 333 HB2 LEU 43 1HB LEU 43 19.717 -0.840 -7.770 334 HB3 LEU 43 2HB LEU 43 20.782 -0.789 -9.179 335 HG LEU 43 HG LEU 43 21.144 1.322 -7.082 336 HD11 LEU 43 1HD1 LEU 43 22.540 -0.198 -5.753 337 HD12 LEU 43 2HD1 LEU 43 20.838 -0.716 -5.771 338 HD13 LEU 43 3HD1 LEU 43 22.036 -1.560 -6.780 339 HD21 LEU 43 1HD2 LEU 43 23.501 0.985 -7.747 340 HD22 LEU 43 2HD2 LEU 43 23.012 -0.362 -8.803 341 HD23 LEU 43 3HD2 LEU 43 22.474 1.296 -9.168 342 H SER 44 H SER 44 19.775 3.327 -9.526 343 HA SER 44 HA SER 44 20.813 2.863 -12.264 344 HB2 SER 44 1HB SER 44 19.963 5.371 -10.781 345 HB3 SER 44 2HB SER 44 20.651 5.381 -12.398 346 HG SER 44 HG SER 44 18.843 4.802 -13.144 347 H VAL 45 H VAL 45 22.902 2.686 -12.598 348 HA VAL 45 HA VAL 45 24.746 4.024 -10.661 349 HB VAL 45 HB VAL 45 24.782 1.539 -10.523 350 HG11 VAL 45 1HG1 VAL 45 25.629 0.218 -12.398 351 HG12 VAL 45 2HG1 VAL 45 24.095 1.028 -12.793 352 HG13 VAL 45 3HG1 VAL 45 25.629 1.672 -13.423 353 HG21 VAL 45 1HG2 VAL 45 27.225 1.274 -10.819 354 HG22 VAL 45 2HG2 VAL 45 27.268 2.765 -11.790 355 HG23 VAL 45 3HG2 VAL 45 26.834 2.837 -10.065 356 H LYS 46 H LYS 46 26.110 5.483 -11.441 357 HA LYS 46 HA LYS 46 26.525 5.606 -14.382 358 HB2 LYS 46 1HB LYS 46 25.840 7.666 -13.035 359 HB3 LYS 46 2HB LYS 46 27.431 7.613 -12.288 360 HG2 LYS 46 1HG LYS 46 28.484 7.877 -14.508 361 HG3 LYS 46 2HG LYS 46 26.880 7.943 -15.252 362 HD2 LYS 46 1HD LYS 46 27.638 10.206 -14.965 363 HD3 LYS 46 2HD LYS 46 26.357 9.923 -13.778 364 HE2 LYS 46 1HE LYS 46 28.445 11.131 -12.936 365 HE3 LYS 46 2HE LYS 46 27.902 9.748 -11.984 366 HZ1 LYS 46 1HZ LYS 46 30.260 9.705 -12.335 367 HZ2 LYS 46 2HZ LYS 46 29.563 8.411 -13.084 368 HZ3 LYS 46 3HZ LYS 46 30.072 9.704 -13.973 369 H PHE 47 H PHE 47 28.006 4.046 -14.848 370 HA PHE 47 HA PHE 47 30.741 4.803 -13.914 371 HB2 PHE 47 1HB PHE 47 29.767 2.457 -13.185 372 HB3 PHE 47 2HB PHE 47 30.116 2.001 -14.844 373 HD1 PHE 47 HD1 PHE 47 32.399 1.845 -15.653 374 HD2 PHE 47 HD2 PHE 47 31.553 2.970 -11.619 375 HE1 PHE 47 HE1 PHE 47 34.757 1.423 -15.041 376 HE2 PHE 47 HE2 PHE 47 33.911 2.550 -11.005 377 HZ PHE 47 HZ PHE 47 35.513 1.775 -12.718 378 H GLY 48 H GLY 48 32.101 5.397 -15.459 379 HA2 GLY 48 1HA GLY 48 32.978 5.603 -17.644 380 HA3 GLY 48 2HA GLY 48 31.685 4.592 -18.261 381 H ASN 49 H ASN 49 30.874 7.218 -16.121 382 HA ASN 49 HA ASN 49 29.703 9.172 -16.445 383 HB2 ASN 49 1HB ASN 49 31.287 9.089 -19.024 384 HB3 ASN 49 2HB ASN 49 30.182 10.404 -18.647 385 HD21 ASN 49 1HD2 ASN 49 33.876 10.554 -17.289 386 HD22 ASN 49 2HD2 ASN 49 33.309 9.589 -18.609 387 H ASP 50 H ASP 50 28.826 6.419 -17.622 388 HA ASP 50 HA ASP 50 26.305 7.632 -18.641 389 HB2 ASP 50 1HB ASP 50 27.848 5.324 -19.860 390 HB3 ASP 50 2HB ASP 50 26.113 5.488 -20.094 391 H VAL 51 H VAL 51 24.458 6.780 -17.842 392 HA VAL 51 HA VAL 51 24.894 5.210 -15.397 393 HB VAL 51 HB VAL 51 22.365 6.507 -16.500 394 HG11 VAL 51 1HG1 VAL 51 21.506 6.270 -14.221 395 HG12 VAL 51 2HG1 VAL 51 21.868 4.694 -14.964 396 HG13 VAL 51 3HG1 VAL 51 22.978 5.386 -13.757 397 HG21 VAL 51 1HG2 VAL 51 22.842 8.270 -14.831 398 HG22 VAL 51 2HG2 VAL 51 24.356 7.445 -14.394 399 HG23 VAL 51 3HG2 VAL 51 24.157 8.139 -16.021 400 H GLN 52 H GLN 52 24.701 3.080 -15.327 401 HA GLN 52 HA GLN 52 22.891 1.714 -17.236 402 HB2 GLN 52 1HB GLN 52 24.831 0.635 -15.153 403 HB3 GLN 52 2HB GLN 52 23.812 -0.373 -16.170 404 HG2 GLN 52 1HG GLN 52 25.831 1.594 -17.262 405 HG3 GLN 52 2HG GLN 52 26.171 -0.130 -16.944 406 HE21 GLN 52 1HE2 GLN 52 23.884 -1.252 -19.549 407 HE22 GLN 52 2HE2 GLN 52 24.217 -1.563 -17.878 408 H HIS 53 H HIS 53 21.387 0.083 -16.441 409 HA HIS 53 HA HIS 53 20.186 0.902 -13.818 410 HB2 HIS 53 1HB HIS 53 18.656 1.615 -15.485 411 HB3 HIS 53 2HB HIS 53 18.885 0.162 -16.447 412 HD2 HIS 53 HD2 HIS 53 16.308 1.493 -13.894 413 HE1 HIS 53 HE1 HIS 53 15.993 -2.743 -13.933 414 H PHE 54 H PHE 54 20.201 -0.583 -12.307 415 HA PHE 54 HA PHE 54 20.132 -3.445 -13.154 416 HB2 PHE 54 1HB PHE 54 20.835 -2.304 -10.422 417 HB3 PHE 54 2HB PHE 54 20.970 -3.983 -10.925 418 HD1 PHE 54 HD1 PHE 54 22.024 -3.102 -13.791 419 HD2 PHE 54 HD2 PHE 54 23.175 -2.253 -9.765 420 HE1 PHE 54 HE1 PHE 54 24.344 -2.693 -14.541 421 HE2 PHE 54 HE2 PHE 54 25.494 -1.841 -10.512 422 HZ PHE 54 HZ PHE 54 26.079 -2.063 -12.901 423 H LYS 55 H LYS 55 18.913 -4.901 -11.647 424 HA LYS 55 HA LYS 55 16.333 -3.572 -10.928 425 HB2 LYS 55 1HB LYS 55 15.221 -5.699 -11.512 426 HB3 LYS 55 2HB LYS 55 16.080 -5.020 -12.889 427 HG2 LYS 55 1HG LYS 55 18.019 -6.609 -12.169 428 HG3 LYS 55 2HG LYS 55 16.763 -7.443 -11.242 429 HD2 LYS 55 1HD LYS 55 15.399 -7.436 -13.444 430 HD3 LYS 55 2HD LYS 55 16.928 -7.022 -14.234 431 HE2 LYS 55 1HE LYS 55 17.971 -9.051 -13.265 432 HE3 LYS 55 2HE LYS 55 16.439 -9.468 -12.495 433 HZ1 LYS 55 1HZ LYS 55 16.743 -10.644 -14.549 434 HZ2 LYS 55 2HZ LYS 55 15.451 -9.625 -14.677 435 HZ3 LYS 55 3HZ LYS 55 16.885 -9.237 -15.397 436 H VAL 56 H VAL 56 15.914 -3.520 -8.858 437 HA VAL 56 HA VAL 56 17.212 -5.556 -7.108 438 HB VAL 56 HB VAL 56 16.004 -2.850 -6.390 439 HG11 VAL 56 1HG1 VAL 56 17.076 -3.190 -4.217 440 HG12 VAL 56 2HG1 VAL 56 15.855 -4.440 -4.561 441 HG13 VAL 56 3HG1 VAL 56 17.587 -4.817 -4.725 442 HG21 VAL 56 1HG2 VAL 56 18.358 -2.158 -6.074 443 HG22 VAL 56 2HG2 VAL 56 18.902 -3.754 -6.644 444 HG23 VAL 56 3HG2 VAL 56 18.053 -2.653 -7.756 445 H LEU 57 H LEU 57 15.903 -7.240 -6.684 446 HA LEU 57 HA LEU 57 12.973 -6.705 -6.900 447 HB2 LEU 57 1HB LEU 57 14.479 -9.266 -7.535 448 HB3 LEU 57 2HB LEU 57 12.760 -8.960 -7.803 449 HG LEU 57 HG LEU 57 15.043 -7.555 -9.235 450 HD11 LEU 57 1HD1 LEU 57 14.297 -8.865 -11.173 451 HD12 LEU 57 2HD1 LEU 57 14.848 -9.912 -9.843 452 HD13 LEU 57 3HD1 LEU 57 13.106 -9.702 -10.148 453 HD21 LEU 57 1HD2 LEU 57 13.229 -6.654 -10.652 454 HD22 LEU 57 2HD2 LEU 57 12.023 -7.460 -9.621 455 HD23 LEU 57 3HD2 LEU 57 13.028 -6.150 -8.957 456 H ARG 58 H ARG 58 11.544 -7.630 -5.471 457 HA ARG 58 HA ARG 58 12.595 -8.888 -3.051 458 HB2 ARG 58 1HB ARG 58 9.772 -8.457 -4.079 459 HB3 ARG 58 2HB ARG 58 10.144 -9.222 -2.542 460 HG2 ARG 58 1HG ARG 58 11.121 -7.200 -1.685 461 HG3 ARG 58 2HG ARG 58 11.003 -6.414 -3.278 462 HD2 ARG 58 1HD ARG 58 8.659 -7.417 -1.683 463 HD3 ARG 58 2HD ARG 58 9.249 -5.739 -1.687 464 HE ARG 58 HE ARG 58 8.874 -6.332 -4.343 465 HH11 ARG 58 1HH1 ARG 58 6.856 -6.440 -1.470 466 HH12 ARG 58 2HH1 ARG 58 5.377 -6.112 -2.344 467 HH21 ARG 58 1HH2 ARG 58 6.947 -5.906 -5.467 468 HH22 ARG 58 2HH2 ARG 58 5.428 -5.810 -4.606 469 H ASP 59 H ASP 59 12.753 -10.999 -2.584 470 HA ASP 59 HA ASP 59 11.872 -12.975 -4.592 471 HB2 ASP 59 1HB ASP 59 13.044 -14.607 -3.246 472 HB3 ASP 59 2HB ASP 59 14.084 -13.202 -3.438 473 H GLY 60 H GLY 60 11.198 -15.130 -3.068 474 HA2 GLY 60 1HA GLY 60 8.398 -14.608 -2.685 475 HA3 GLY 60 2HA GLY 60 9.225 -16.113 -2.334 476 H ALA 61 H ALA 61 11.115 -14.221 -0.642 477 HA ALA 61 HA ALA 61 9.607 -14.652 1.846 478 HB1 ALA 61 1HB ALA 61 11.727 -14.024 2.954 479 HB2 ALA 61 2HB ALA 61 11.968 -15.315 1.754 480 HB3 ALA 61 3HB ALA 61 12.434 -13.643 1.368 481 H GLY 62 H GLY 62 9.916 -12.172 -0.397 482 HA2 GLY 62 1HA GLY 62 9.313 -9.895 -0.227 483 HA3 GLY 62 2HA GLY 62 9.156 -10.065 1.510 484 H LYS 63 H LYS 63 12.039 -11.458 0.372 485 HA LYS 63 HA LYS 63 13.578 -9.255 1.594 486 HB2 LYS 63 1HB LYS 63 14.283 -12.077 0.724 487 HB3 LYS 63 2HB LYS 63 15.509 -10.918 1.218 488 HG2 LYS 63 1HG LYS 63 14.244 -10.678 3.411 489 HG3 LYS 63 2HG LYS 63 13.265 -12.059 2.895 490 HD2 LYS 63 1HD LYS 63 16.299 -12.131 3.018 491 HD3 LYS 63 2HD LYS 63 15.262 -12.609 4.370 492 HE2 LYS 63 1HE LYS 63 14.225 -14.354 3.016 493 HE3 LYS 63 2HE LYS 63 15.120 -13.828 1.588 494 HZ1 LYS 63 1HZ LYS 63 16.141 -15.720 2.620 495 HZ2 LYS 63 2HZ LYS 63 17.154 -14.422 2.715 496 HZ3 LYS 63 3HZ LYS 63 16.317 -14.915 4.049 497 H TYR 64 H TYR 64 15.094 -8.018 0.605 498 HA TYR 64 HA TYR 64 14.666 -7.773 -2.303 499 HB2 TYR 64 1HB TYR 64 16.012 -5.991 -0.240 500 HB3 TYR 64 2HB TYR 64 16.029 -5.637 -1.962 501 HD1 TYR 64 HD1 TYR 64 13.891 -5.963 1.029 502 HD2 TYR 64 HD2 TYR 64 14.092 -4.803 -3.096 503 HE1 TYR 64 HE1 TYR 64 11.698 -4.843 1.237 504 HE2 TYR 64 HE2 TYR 64 11.900 -3.682 -2.889 505 HH TYR 64 HH TYR 64 10.087 -3.414 -1.580 506 H PHE 65 H PHE 65 16.090 -8.186 -3.856 507 HA PHE 65 HA PHE 65 18.958 -8.356 -3.156 508 HB2 PHE 65 1HB PHE 65 19.290 -10.505 -4.196 509 HB3 PHE 65 2HB PHE 65 18.039 -10.687 -2.977 510 HD1 PHE 65 HD1 PHE 65 18.835 -10.852 -6.512 511 HD2 PHE 65 HD2 PHE 65 15.664 -10.913 -3.650 512 HE1 PHE 65 HE1 PHE 65 17.322 -11.822 -8.210 513 HE2 PHE 65 HE2 PHE 65 14.149 -11.884 -5.345 514 HZ PHE 65 HZ PHE 65 14.980 -12.338 -7.626 515 H LEU 66 H LEU 66 20.320 -8.596 -5.159 516 HA LEU 66 HA LEU 66 18.966 -7.419 -7.541 517 HB2 LEU 66 1HB LEU 66 20.274 -5.725 -6.132 518 HB3 LEU 66 2HB LEU 66 21.732 -6.599 -6.610 519 HG LEU 66 HG LEU 66 19.800 -5.281 -8.550 520 HD11 LEU 66 1HD1 LEU 66 21.544 -3.569 -8.776 521 HD12 LEU 66 2HD1 LEU 66 20.898 -3.635 -7.119 522 HD13 LEU 66 3HD1 LEU 66 22.484 -4.355 -7.487 523 HD21 LEU 66 1HD2 LEU 66 21.637 -5.661 -10.158 524 HD22 LEU 66 2HD2 LEU 66 22.580 -6.478 -8.890 525 HD23 LEU 66 3HD2 LEU 66 21.060 -7.198 -9.472 526 H TRP 67 H TRP 67 22.111 -8.749 -6.430 527 HA TRP 67 HA TRP 67 22.563 -9.727 -9.188 528 HB2 TRP 67 1HB TRP 67 24.404 -9.540 -6.771 529 HB3 TRP 67 2HB TRP 67 24.887 -10.179 -8.336 530 HD1 TRP 67 HD1 TRP 67 24.712 -6.998 -6.428 531 HE1 TRP 67 HE1 TRP 67 25.249 -4.977 -7.949 532 HE3 TRP 67 HE3 TRP 67 24.407 -9.337 -10.982 533 HZ2 TRP 67 HZ2 TRP 67 25.507 -4.470 -10.714 534 HZ3 TRP 67 HZ3 TRP 67 24.808 -8.026 -13.028 535 HH2 TRP 67 HH2 TRP 67 25.353 -5.631 -12.903 536 H VAL 68 H VAL 68 24.056 -11.268 -6.440 537 HA VAL 68 HA VAL 68 22.401 -13.701 -6.903 538 HB VAL 68 HB VAL 68 24.446 -15.091 -6.913 539 HG11 VAL 68 1HG1 VAL 68 25.250 -14.503 -9.147 540 HG12 VAL 68 2HG1 VAL 68 23.477 -14.410 -9.032 541 HG13 VAL 68 3HG1 VAL 68 24.449 -12.920 -9.018 542 HG21 VAL 68 1HG2 VAL 68 26.656 -14.005 -7.164 543 HG22 VAL 68 2HG2 VAL 68 25.892 -12.410 -6.969 544 HG23 VAL 68 3HG2 VAL 68 25.895 -13.567 -5.616 545 H VAL 69 H VAL 69 23.953 -11.535 -4.792 546 HA VAL 69 HA VAL 69 23.714 -13.487 -2.538 547 HB VAL 69 HB VAL 69 26.086 -13.041 -3.048 548 HG11 VAL 69 1HG1 VAL 69 27.021 -10.790 -2.828 549 HG12 VAL 69 2HG1 VAL 69 25.838 -10.894 -4.153 550 HG13 VAL 69 3HG1 VAL 69 25.382 -10.132 -2.610 551 HG21 VAL 69 1HG2 VAL 69 26.764 -12.219 -0.815 552 HG22 VAL 69 2HG2 VAL 69 25.114 -11.610 -0.540 553 HG23 VAL 69 3HG2 VAL 69 25.404 -13.359 -0.695 554 H LYS 70 H LYS 70 22.649 -12.844 -0.761 555 HA LYS 70 HA LYS 70 21.630 -10.034 -0.764 556 HB2 LYS 70 1HB LYS 70 20.031 -12.123 -0.992 557 HB3 LYS 70 2HB LYS 70 20.295 -12.285 0.738 558 HG2 LYS 70 1HG LYS 70 19.552 -9.564 -0.180 559 HG3 LYS 70 2HG LYS 70 18.314 -10.813 -0.373 560 HD2 LYS 70 1HD LYS 70 18.323 -11.325 1.960 561 HD3 LYS 70 2HD LYS 70 19.816 -10.414 2.231 562 HE2 LYS 70 1HE LYS 70 18.545 -8.332 1.498 563 HE3 LYS 70 2HE LYS 70 17.074 -9.306 1.552 564 HZ1 LYS 70 1HZ LYS 70 17.420 -8.119 3.591 565 HZ2 LYS 70 2HZ LYS 70 17.515 -9.742 3.870 566 HZ3 LYS 70 3HZ LYS 70 18.889 -8.831 3.820 567 H PHE 71 H PHE 71 21.976 -8.753 0.922 568 HA PHE 71 HA PHE 71 23.225 -9.996 3.337 569 HB2 PHE 71 1HB PHE 71 23.647 -7.250 2.098 570 HB3 PHE 71 2HB PHE 71 24.224 -7.687 3.698 571 HD1 PHE 71 HD1 PHE 71 24.573 -8.367 0.090 572 HD2 PHE 71 HD2 PHE 71 26.151 -9.062 4.000 573 HE1 PHE 71 HE1 PHE 71 26.632 -9.302 -0.909 574 HE2 PHE 71 HE2 PHE 71 28.212 -9.996 3.003 575 HZ PHE 71 HZ PHE 71 28.451 -10.117 0.548 576 H ASN 72 H ASN 72 23.101 -7.932 5.091 577 HA ASN 72 HA ASN 72 20.505 -8.301 6.155 578 HB2 ASN 72 1HB ASN 72 22.667 -6.265 6.753 579 HB3 ASN 72 2HB ASN 72 21.159 -6.334 7.656 580 HD21 ASN 72 1HD2 ASN 72 23.762 -8.324 9.406 581 HD22 ASN 72 2HD2 ASN 72 23.631 -6.689 8.850 582 H SER 73 H SER 73 21.709 -5.948 3.894 583 HA SER 73 HA SER 73 18.979 -4.995 3.452 584 HB2 SER 73 1HB SER 73 19.602 -3.530 5.279 585 HB3 SER 73 2HB SER 73 21.136 -3.146 4.513 586 HG SER 73 HG SER 73 18.805 -1.996 4.203 587 H LEU 74 H LEU 74 18.704 -3.938 1.468 588 HA LEU 74 HA LEU 74 20.412 -4.251 -0.688 589 HB2 LEU 74 1HB LEU 74 18.177 -3.356 -0.948 590 HB3 LEU 74 2HB LEU 74 18.592 -1.913 -0.017 591 HG LEU 74 HG LEU 74 20.147 -1.214 -1.824 592 HD11 LEU 74 1HD1 LEU 74 20.087 -2.401 -3.971 593 HD12 LEU 74 2HD1 LEU 74 20.714 -3.435 -2.665 594 HD13 LEU 74 3HD1 LEU 74 19.047 -3.651 -3.251 595 HD21 LEU 74 1HD2 LEU 74 18.377 -0.640 -3.450 596 HD22 LEU 74 2HD2 LEU 74 17.310 -1.866 -2.723 597 HD23 LEU 74 3HD2 LEU 74 17.799 -0.439 -1.778 598 H ASN 75 H ASN 75 20.606 -1.848 1.892 599 HA ASN 75 HA ASN 75 22.579 -0.220 0.515 600 HB2 ASN 75 1HB ASN 75 21.587 -0.297 3.378 601 HB3 ASN 75 2HB ASN 75 22.825 0.822 2.827 602 HD21 ASN 75 1HD2 ASN 75 19.405 2.354 2.661 603 HD22 ASN 75 2HD2 ASN 75 20.274 1.501 3.894 604 H GLU 76 H GLU 76 22.759 -3.225 1.931 605 HA GLU 76 HA GLU 76 25.547 -2.821 2.879 606 HB2 GLU 76 1HB GLU 76 23.628 -5.167 3.157 607 HB3 GLU 76 2HB GLU 76 25.292 -5.188 3.721 608 HG2 GLU 76 1HG GLU 76 23.302 -3.121 4.655 609 HG3 GLU 76 2HG GLU 76 23.468 -4.697 5.426 610 H LEU 77 H LEU 77 23.622 -4.626 0.513 611 HA LEU 77 HA LEU 77 25.859 -6.197 -0.434 612 HB2 LEU 77 1HB LEU 77 24.367 -7.071 -2.030 613 HB3 LEU 77 2HB LEU 77 23.360 -6.744 -0.616 614 HG LEU 77 HG LEU 77 22.898 -4.455 -1.881 615 HD11 LEU 77 1HD1 LEU 77 22.865 -4.776 -4.314 616 HD12 LEU 77 2HD1 LEU 77 24.517 -4.862 -3.662 617 HD13 LEU 77 3HD1 LEU 77 23.662 -6.354 -4.117 618 HD21 LEU 77 1HD2 LEU 77 20.933 -5.545 -2.909 619 HD22 LEU 77 2HD2 LEU 77 21.701 -7.136 -2.692 620 HD23 LEU 77 3HD2 LEU 77 21.230 -6.175 -1.270 621 H VAL 78 H VAL 78 24.455 -3.086 -1.280 622 HA VAL 78 HA VAL 78 26.035 -2.707 -3.669 623 HB VAL 78 HB VAL 78 25.418 -0.337 -3.441 624 HG11 VAL 78 1HG1 VAL 78 22.983 -0.576 -3.459 625 HG12 VAL 78 2HG1 VAL 78 23.785 -1.864 -4.390 626 HG13 VAL 78 3HG1 VAL 78 23.137 -2.208 -2.768 627 HG21 VAL 78 1HG2 VAL 78 24.107 0.418 -1.483 628 HG22 VAL 78 2HG2 VAL 78 24.305 -1.184 -0.734 629 HG23 VAL 78 3HG2 VAL 78 25.724 -0.143 -0.997 630 H ASP 79 H ASP 79 26.593 -2.294 -0.228 631 HA ASP 79 HA ASP 79 29.134 -0.926 -0.558 632 HB2 ASP 79 1HB ASP 79 27.738 -0.900 1.551 633 HB3 ASP 79 2HB ASP 79 28.169 -2.585 1.802 634 H TYR 80 H TYR 80 28.157 -4.314 0.050 635 HA TYR 80 HA TYR 80 30.680 -5.531 -0.155 636 HB2 TYR 80 1HB TYR 80 28.650 -6.790 0.392 637 HB3 TYR 80 2HB TYR 80 27.991 -6.487 -1.209 638 HD1 TYR 80 HD1 TYR 80 30.887 -8.084 0.523 639 HD2 TYR 80 HD2 TYR 80 28.371 -7.980 -2.950 640 HE1 TYR 80 HE1 TYR 80 31.947 -10.157 -0.307 641 HE2 TYR 80 HE2 TYR 80 29.431 -10.053 -3.781 642 HH TYR 80 HH TYR 80 32.072 -11.614 -1.987 643 H HIS 81 H HIS 81 28.450 -4.587 -2.779 644 HA HIS 81 HA HIS 81 30.565 -5.153 -4.778 645 HB2 HIS 81 1HB HIS 81 27.683 -4.230 -5.041 646 HB3 HIS 81 2HB HIS 81 28.781 -4.404 -6.403 647 HD2 HIS 81 HD2 HIS 81 26.253 -6.620 -4.467 648 HE1 HIS 81 HE1 HIS 81 28.905 -9.199 -6.556 649 H ARG 82 H ARG 82 30.475 -2.850 -2.664 650 HA ARG 82 HA ARG 82 31.226 -0.730 -4.598 651 HB2 ARG 82 1HB ARG 82 30.015 -0.033 -2.580 652 HB3 ARG 82 2HB ARG 82 31.240 -0.772 -1.560 653 HG2 ARG 82 1HG ARG 82 32.905 0.831 -2.326 654 HG3 ARG 82 2HG ARG 82 31.723 1.546 -3.448 655 HD2 ARG 82 1HD ARG 82 31.887 2.891 -1.481 656 HD3 ARG 82 2HD ARG 82 30.295 2.096 -1.525 657 HE ARG 82 HE ARG 82 30.846 0.890 0.357 658 HH11 ARG 82 1HH1 ARG 82 33.708 2.499 -0.891 659 HH12 ARG 82 2HH1 ARG 82 34.676 2.149 0.524 660 HH21 ARG 82 1HH2 ARG 82 32.111 0.441 2.189 661 HH22 ARG 82 2HH2 ARG 82 33.773 0.984 2.268 662 H SER 83 H SER 83 32.679 -2.626 -1.929 663 HA SER 83 HA SER 83 35.369 -1.764 -2.581 664 HB2 SER 83 1HB SER 83 36.073 -3.314 -0.886 665 HB3 SER 83 2HB SER 83 34.624 -2.504 -0.311 666 HG SER 83 HG SER 83 33.969 -4.656 -1.732 667 H THR 84 H THR 84 33.243 -4.256 -3.713 668 HA THR 84 HA THR 84 35.451 -5.161 -5.504 669 HB THR 84 HB THR 84 33.317 -6.948 -4.256 670 HG1 THR 84 HG1 THR 84 35.903 -6.290 -3.578 671 HG21 THR 84 1HG2 THR 84 34.491 -8.767 -5.431 672 HG22 THR 84 2HG2 THR 84 33.850 -7.574 -6.586 673 HG23 THR 84 3HG2 THR 84 35.582 -7.583 -6.185 674 H SER 85 H SER 85 34.930 -5.572 -7.615 675 HA SER 85 HA SER 85 32.838 -4.037 -8.739 676 HB2 SER 85 1HB SER 85 33.433 -5.036 -10.832 677 HB3 SER 85 2HB SER 85 34.914 -4.826 -9.908 678 HG SER 85 HG SER 85 34.077 -6.977 -10.980 679 H VAL 86 H VAL 86 31.031 -4.776 -10.066 680 HA VAL 86 HA VAL 86 29.410 -6.737 -8.653 681 HB VAL 86 HB VAL 86 27.686 -6.182 -10.303 682 HG11 VAL 86 1HG1 VAL 86 27.509 -3.775 -9.904 683 HG12 VAL 86 2HG1 VAL 86 28.003 -4.658 -8.440 684 HG13 VAL 86 3HG1 VAL 86 29.207 -3.739 -9.374 685 HG21 VAL 86 1HG2 VAL 86 28.178 -4.605 -12.144 686 HG22 VAL 86 2HG2 VAL 86 29.895 -4.602 -11.681 687 HG23 VAL 86 3HG2 VAL 86 29.142 -6.092 -12.296 688 H SER 87 H SER 87 31.769 -6.919 -11.086 689 HA SER 87 HA SER 87 31.112 -9.643 -11.823 690 HB2 SER 87 1HB SER 87 29.407 -8.590 -13.168 691 HB3 SER 87 2HB SER 87 30.546 -7.402 -13.785 692 HG SER 87 HG SER 87 29.960 -9.689 -14.798 693 H ARG 88 H ARG 88 32.678 -10.613 -13.189 694 HA ARG 88 HA ARG 88 35.293 -9.345 -13.156 695 HB2 ARG 88 1HB ARG 88 34.270 -11.892 -14.448 696 HB3 ARG 88 2HB ARG 88 35.946 -11.373 -14.517 697 HG2 ARG 88 1HG ARG 88 36.108 -11.506 -12.075 698 HG3 ARG 88 2HG ARG 88 34.401 -12.004 -11.989 699 HD2 ARG 88 1HD ARG 88 34.910 -13.972 -13.314 700 HD3 ARG 88 2HD ARG 88 36.616 -13.473 -13.401 701 HE ARG 88 HE ARG 88 35.929 -13.554 -10.693 702 HH11 ARG 88 1HH1 ARG 88 36.154 -15.784 -13.398 703 HH12 ARG 88 2HH1 ARG 88 36.542 -17.162 -12.392 704 HH21 ARG 88 1HH2 ARG 88 36.434 -15.349 -9.398 705 HH22 ARG 88 2HH2 ARG 88 36.701 -16.917 -10.127 706 H ASN 89 H ASN 89 32.598 -9.338 -15.290 707 HA ASN 89 HA ASN 89 34.346 -8.457 -17.550 708 HB2 ASN 89 1HB ASN 89 31.615 -9.785 -17.606 709 HB3 ASN 89 2HB ASN 89 32.450 -9.158 -19.020 710 HD21 ASN 89 1HD2 ASN 89 33.275 -12.813 -17.612 711 HD22 ASN 89 2HD2 ASN 89 31.986 -11.819 -17.021 712 H GLN 90 H GLN 90 31.348 -7.829 -15.769 713 HA GLN 90 HA GLN 90 30.924 -5.364 -17.354 714 HB2 GLN 90 1HB GLN 90 29.220 -6.601 -15.155 715 HB3 GLN 90 2HB GLN 90 28.770 -5.229 -16.156 716 HG2 GLN 90 1HG GLN 90 28.782 -6.639 -18.147 717 HG3 GLN 90 2HG GLN 90 29.293 -8.036 -17.159 718 HE21 GLN 90 1HE2 GLN 90 25.537 -7.912 -17.766 719 HE22 GLN 90 2HE2 GLN 90 26.888 -7.686 -18.827 720 H GLN 91 H GLN 91 32.330 -3.810 -16.720 721 HA GLN 91 HA GLN 91 33.340 -3.872 -13.986 722 HB2 GLN 91 1HB GLN 91 33.947 -1.971 -16.287 723 HB3 GLN 91 2HB GLN 91 34.824 -2.032 -14.764 724 HG2 GLN 91 1HG GLN 91 34.613 -4.349 -16.697 725 HG3 GLN 91 2HG GLN 91 35.966 -3.184 -16.633 726 HE21 GLN 91 1HE2 GLN 91 36.006 -6.422 -14.310 727 HE22 GLN 91 2HE2 GLN 91 34.986 -6.200 -15.693 728 H ILE 92 H ILE 92 31.171 -3.419 -13.045 729 HA ILE 92 HA ILE 92 30.857 -0.457 -12.804 730 HB ILE 92 HB ILE 92 28.791 -2.541 -12.005 731 HG12 ILE 92 1HG1 ILE 92 29.415 -2.581 -14.475 732 HG13 ILE 92 2HG1 ILE 92 27.720 -2.360 -14.067 733 HG21 ILE 92 1HG2 ILE 92 27.268 -0.609 -12.099 734 HG22 ILE 92 2HG2 ILE 92 28.592 -0.323 -10.947 735 HG23 ILE 92 3HG2 ILE 92 28.628 0.446 -12.551 736 HD11 ILE 92 1HD1 ILE 92 28.385 -0.883 -15.880 737 HD12 ILE 92 2HD1 ILE 92 27.932 0.059 -14.439 738 HD13 ILE 92 3HD1 ILE 92 29.647 -0.164 -14.855 739 H PHE 93 H PHE 93 31.153 0.499 -10.853 740 HA PHE 93 HA PHE 93 30.934 -1.290 -8.467 741 HB2 PHE 93 1HB PHE 93 32.497 1.311 -8.712 742 HB3 PHE 93 2HB PHE 93 32.329 0.356 -7.247 743 HD1 PHE 93 HD1 PHE 93 33.747 0.380 -10.664 744 HD2 PHE 93 HD2 PHE 93 33.676 -1.555 -6.856 745 HE1 PHE 93 HE1 PHE 93 35.741 -0.936 -11.299 746 HE2 PHE 93 HE2 PHE 93 35.672 -2.872 -7.485 747 HZ PHE 93 HZ PHE 93 36.703 -2.562 -9.709 748 H LEU 94 H LEU 94 29.739 -0.568 -6.706 749 HA LEU 94 HA LEU 94 27.994 1.788 -7.262 750 HB2 LEU 94 1HB LEU 94 27.582 -0.480 -5.283 751 HB3 LEU 94 2HB LEU 94 26.445 0.828 -5.625 752 HG LEU 94 HG LEU 94 27.225 -1.474 -7.436 753 HD11 LEU 94 1HD1 LEU 94 24.815 -1.928 -7.340 754 HD12 LEU 94 2HD1 LEU 94 25.552 -1.943 -5.720 755 HD13 LEU 94 3HD1 LEU 94 24.597 -0.539 -6.250 756 HD21 LEU 94 1HD2 LEU 94 25.749 -0.421 -9.116 757 HD22 LEU 94 2HD2 LEU 94 25.543 0.990 -8.053 758 HD23 LEU 94 3HD2 LEU 94 27.141 0.623 -8.744 759 H ARG 95 H ARG 95 29.169 3.488 -6.512 760 HA ARG 95 HA ARG 95 30.381 3.203 -3.800 761 HB2 ARG 95 1HB ARG 95 31.083 5.043 -6.110 762 HB3 ARG 95 2HB ARG 95 31.808 5.147 -4.513 763 HG2 ARG 95 1HG ARG 95 32.836 2.992 -4.750 764 HG3 ARG 95 2HG ARG 95 31.946 2.681 -6.261 765 HD2 ARG 95 1HD ARG 95 33.094 4.533 -7.321 766 HD3 ARG 95 2HD ARG 95 33.973 4.860 -5.810 767 HE ARG 95 HE ARG 95 34.728 2.375 -6.152 768 HH11 ARG 95 1HH1 ARG 95 34.281 4.822 -8.633 769 HH12 ARG 95 2HH1 ARG 95 35.494 4.143 -9.697 770 HH21 ARG 95 1HH2 ARG 95 36.299 1.504 -7.541 771 HH22 ARG 95 2HH2 ARG 95 36.636 2.266 -9.079 772 H ASP 96 H ASP 96 30.277 4.947 -2.326 773 HA ASP 96 HA ASP 96 27.747 6.196 -2.100 774 HB2 ASP 96 1HB ASP 96 30.425 6.898 -0.836 775 HB3 ASP 96 2HB ASP 96 28.907 7.659 -0.381 Start of MODEL 12 1 H1 MET 1 1H MET 1 -1.816 2.742 -2.307 2 H2 MET 1 2H MET 1 -1.355 4.154 -1.630 3 H3 MET 1 3H MET 1 -0.969 3.829 -3.182 4 HA MET 1 HA MET 1 0.007 2.421 -0.830 5 HB2 MET 1 1HB MET 1 -0.275 0.932 -2.781 6 HB3 MET 1 2HB MET 1 0.644 2.047 -3.783 7 HG2 MET 1 1HG MET 1 2.655 1.636 -2.468 8 HG3 MET 1 2HG MET 1 1.751 0.604 -1.357 9 HE1 MET 1 1HE MET 1 4.134 -1.802 -3.452 10 HE2 MET 1 2HE MET 1 4.472 -0.099 -3.059 11 HE3 MET 1 3HE MET 1 3.762 -1.174 -1.829 12 H LYS 2 H LYS 2 1.030 4.005 0.233 13 HA LYS 2 HA LYS 2 2.523 6.109 -0.987 14 HB2 LYS 2 1HB LYS 2 1.755 6.123 1.382 15 HB3 LYS 2 2HB LYS 2 2.896 4.839 1.756 16 HG2 LYS 2 1HG LYS 2 4.776 6.319 1.196 17 HG3 LYS 2 2HG LYS 2 3.642 7.610 0.772 18 HD2 LYS 2 1HD LYS 2 2.771 7.618 3.081 19 HD3 LYS 2 2HD LYS 2 3.878 6.306 3.509 20 HE2 LYS 2 1HE LYS 2 5.808 7.754 2.972 21 HE3 LYS 2 2HE LYS 2 4.710 9.064 2.533 22 HZ1 LYS 2 1HZ LYS 2 5.528 9.308 4.760 23 HZ2 LYS 2 2HZ LYS 2 3.897 9.061 4.790 24 HZ3 LYS 2 3HZ LYS 2 4.924 7.838 5.201 25 HA PRO 3 HA PRO 3 5.923 3.776 -2.388 26 HB2 PRO 3 1HB PRO 3 7.443 5.829 -3.377 27 HB3 PRO 3 2HB PRO 3 5.950 5.304 -4.167 28 HG2 PRO 3 1HG PRO 3 6.370 7.614 -2.219 29 HG3 PRO 3 2HG PRO 3 5.535 7.636 -3.774 30 HD2 PRO 3 1HD PRO 3 4.159 7.381 -1.438 31 HD3 PRO 3 2HD PRO 3 3.629 6.525 -2.941 32 H HIS 4 H HIS 4 8.412 3.884 -2.171 33 HA HIS 4 HA HIS 4 9.081 3.938 0.623 34 HB2 HIS 4 1HB HIS 4 10.772 3.723 -1.887 35 HB3 HIS 4 2HB HIS 4 11.459 3.676 -0.270 36 HD2 HIS 4 HD2 HIS 4 9.877 1.301 -2.802 37 HE1 HIS 4 HE1 HIS 4 9.956 -0.759 0.928 38 HA PRO 5 HA PRO 5 10.282 8.169 0.986 39 HB2 PRO 5 1HB PRO 5 11.257 8.078 3.527 40 HB3 PRO 5 2HB PRO 5 9.521 7.971 3.205 41 HG2 PRO 5 1HG PRO 5 11.511 5.727 3.744 42 HG3 PRO 5 2HG PRO 5 9.911 5.967 4.453 43 HD2 PRO 5 1HD PRO 5 10.338 4.283 2.320 44 HD3 PRO 5 2HD PRO 5 8.783 5.179 2.555 45 H TRP 6 H TRP 6 12.175 5.345 0.876 46 HA TRP 6 HA TRP 6 14.770 6.362 1.506 47 HB2 TRP 6 1HB TRP 6 13.935 4.102 -0.355 48 HB3 TRP 6 2HB TRP 6 15.588 4.410 0.159 49 HD1 TRP 6 HD1 TRP 6 12.612 2.449 1.108 50 HE1 TRP 6 HE1 TRP 6 12.863 1.447 3.478 51 HE3 TRP 6 HE3 TRP 6 16.636 5.199 2.703 52 HZ2 TRP 6 HZ2 TRP 6 14.558 1.792 5.710 53 HZ3 TRP 6 HZ3 TRP 6 17.523 4.815 4.968 54 HH2 TRP 6 HH2 TRP 6 16.507 3.138 6.452 55 H PHE 7 H PHE 7 16.371 7.268 0.304 56 HA PHE 7 HA PHE 7 17.181 8.736 -1.284 57 HB2 PHE 7 1HB PHE 7 16.172 6.351 -2.762 58 HB3 PHE 7 2HB PHE 7 16.505 7.773 -3.738 59 HD1 PHE 7 HD1 PHE 7 17.977 5.280 -1.455 60 HD2 PHE 7 HD2 PHE 7 18.740 8.525 -4.127 61 HE1 PHE 7 HE1 PHE 7 20.383 4.718 -1.447 62 HE2 PHE 7 HE2 PHE 7 21.147 7.964 -4.123 63 HZ PHE 7 HZ PHE 7 21.970 6.060 -2.782 64 H PHE 8 H PHE 8 14.838 7.996 -3.698 65 HA PHE 8 HA PHE 8 13.619 10.687 -3.250 66 HB2 PHE 8 1HB PHE 8 14.665 9.509 -5.854 67 HB3 PHE 8 2HB PHE 8 13.675 10.957 -5.759 68 HD1 PHE 8 HD1 PHE 8 16.936 9.492 -4.806 69 HD2 PHE 8 HD2 PHE 8 14.604 13.054 -5.166 70 HE1 PHE 8 HE1 PHE 8 18.969 10.856 -4.460 71 HE2 PHE 8 HE2 PHE 8 16.636 14.422 -4.822 72 HZ PHE 8 HZ PHE 8 18.818 13.321 -4.468 73 H GLY 9 H GLY 9 12.804 7.731 -2.891 74 HA2 GLY 9 1HA GLY 9 10.936 6.405 -3.252 75 HA3 GLY 9 2HA GLY 9 10.067 7.905 -3.522 76 H LYS 10 H LYS 10 8.910 7.699 -5.333 77 HA LYS 10 HA LYS 10 9.941 6.159 -7.612 78 HB2 LYS 10 1HB LYS 10 7.355 7.694 -7.157 79 HB3 LYS 10 2HB LYS 10 7.737 6.865 -8.660 80 HG2 LYS 10 1HG LYS 10 7.782 4.719 -7.540 81 HG3 LYS 10 2HG LYS 10 7.591 5.494 -5.961 82 HD2 LYS 10 1HD LYS 10 5.373 6.276 -6.536 83 HD3 LYS 10 2HD LYS 10 5.565 5.739 -8.212 84 HE2 LYS 10 1HE LYS 10 5.661 3.405 -7.496 85 HE3 LYS 10 2HE LYS 10 5.609 3.890 -5.799 86 HZ1 LYS 10 1HZ LYS 10 3.465 3.203 -6.586 87 HZ2 LYS 10 2HZ LYS 10 3.424 4.803 -6.187 88 HZ3 LYS 10 3HZ LYS 10 3.472 4.349 -7.771 89 H ILE 11 H ILE 11 11.767 8.029 -7.303 90 HA ILE 11 HA ILE 11 11.366 10.302 -9.017 91 HB ILE 11 HB ILE 11 13.322 9.878 -7.388 92 HG12 ILE 11 1HG1 ILE 11 13.896 10.832 -10.204 93 HG13 ILE 11 2HG1 ILE 11 13.198 11.792 -8.909 94 HG21 ILE 11 1HG2 ILE 11 15.282 8.762 -8.373 95 HG22 ILE 11 2HG2 ILE 11 13.916 7.633 -8.216 96 HG23 ILE 11 3HG2 ILE 11 14.320 8.325 -9.805 97 HD11 ILE 11 1HD1 ILE 11 15.566 12.274 -9.181 98 HD12 ILE 11 2HD1 ILE 11 15.257 11.534 -7.592 99 HD13 ILE 11 3HD1 ILE 11 15.964 10.562 -8.904 100 HA PRO 12 HA PRO 12 11.437 8.321 -12.973 101 HB2 PRO 12 1HB PRO 12 12.022 10.509 -14.506 102 HB3 PRO 12 2HB PRO 12 10.427 10.284 -13.776 103 HG2 PRO 12 1HG PRO 12 12.787 11.917 -12.727 104 HG3 PRO 12 2HG PRO 12 11.117 12.444 -12.954 105 HD2 PRO 12 1HD PRO 12 11.974 11.639 -10.520 106 HD3 PRO 12 2HD PRO 12 10.314 11.206 -11.097 107 H ARG 13 H ARG 13 13.043 7.449 -14.265 108 HA ARG 13 HA ARG 13 15.767 7.512 -13.552 109 HB2 ARG 13 1HB ARG 13 14.531 5.896 -15.127 110 HB3 ARG 13 2HB ARG 13 14.779 7.098 -16.384 111 HG2 ARG 13 1HG ARG 13 17.244 6.446 -14.942 112 HG3 ARG 13 2HG ARG 13 16.492 5.048 -15.745 113 HD2 ARG 13 1HD ARG 13 17.261 7.674 -16.992 114 HD3 ARG 13 2HD ARG 13 18.025 6.088 -17.243 115 HE ARG 13 HE ARG 13 15.310 5.833 -17.902 116 HH11 ARG 13 1HH1 ARG 13 18.153 7.556 -19.036 117 HH12 ARG 13 2HH1 ARG 13 17.617 7.600 -20.701 118 HH21 ARG 13 1HH2 ARG 13 14.625 5.896 -20.066 119 HH22 ARG 13 2HH2 ARG 13 15.620 6.660 -21.285 120 H ALA 14 H ALA 14 13.944 9.550 -15.821 121 HA ALA 14 HA ALA 14 15.864 11.102 -16.996 122 HB1 ALA 14 1HB ALA 14 14.330 13.028 -16.758 123 HB2 ALA 14 2HB ALA 14 13.459 11.543 -17.207 124 HB3 ALA 14 3HB ALA 14 13.408 12.132 -15.529 125 H LYS 15 H LYS 15 14.624 11.785 -13.692 126 HA LYS 15 HA LYS 15 16.473 13.989 -13.423 127 HB2 LYS 15 1HB LYS 15 14.134 13.629 -12.311 128 HB3 LYS 15 2HB LYS 15 15.013 12.687 -11.115 129 HG2 LYS 15 1HG LYS 15 14.797 14.870 -10.230 130 HG3 LYS 15 2HG LYS 15 16.484 14.716 -10.740 131 HD2 LYS 15 1HD LYS 15 15.896 15.863 -12.887 132 HD3 LYS 15 2HD LYS 15 14.254 16.101 -12.271 133 HE2 LYS 15 1HE LYS 15 15.049 17.491 -10.468 134 HE3 LYS 15 2HE LYS 15 16.732 17.096 -10.826 135 HZ1 LYS 15 1HZ LYS 15 16.126 19.238 -11.681 136 HZ2 LYS 15 2HZ LYS 15 16.487 18.223 -12.930 137 HZ3 LYS 15 3HZ LYS 15 14.915 18.593 -12.594 138 H ALA 16 H ALA 16 16.413 10.640 -12.293 139 HA ALA 16 HA ALA 16 18.443 10.911 -10.319 140 HB1 ALA 16 1HB ALA 16 18.646 8.452 -10.489 141 HB2 ALA 16 2HB ALA 16 16.944 8.970 -10.424 142 HB3 ALA 16 3HB ALA 16 17.668 8.482 -11.975 143 H GLU 17 H GLU 17 18.619 10.041 -13.767 144 HA GLU 17 HA GLU 17 21.476 9.643 -13.745 145 HB2 GLU 17 1HB GLU 17 19.519 10.212 -16.006 146 HB3 GLU 17 2HB GLU 17 21.221 9.852 -16.257 147 HG2 GLU 17 1HG GLU 17 20.809 7.677 -14.995 148 HG3 GLU 17 2HG GLU 17 19.091 8.041 -15.124 149 H GLU 18 H GLU 18 19.363 12.401 -14.486 150 HA GLU 18 HA GLU 18 21.357 14.220 -15.338 151 HB2 GLU 18 1HB GLU 18 18.898 14.638 -15.443 152 HB3 GLU 18 2HB GLU 18 18.861 14.805 -13.694 153 HG2 GLU 18 1HG GLU 18 20.387 16.744 -13.859 154 HG3 GLU 18 2HG GLU 18 20.378 16.585 -15.614 155 H MET 19 H MET 19 20.174 13.481 -12.052 156 HA MET 19 HA MET 19 21.926 15.327 -10.730 157 HB2 MET 19 1HB MET 19 20.371 12.888 -9.853 158 HB3 MET 19 2HB MET 19 21.476 13.685 -8.745 159 HG2 MET 19 1HG MET 19 20.210 15.823 -9.121 160 HG3 MET 19 2HG MET 19 19.044 14.903 -10.076 161 HE1 MET 19 1HE MET 19 17.142 12.767 -7.562 162 HE2 MET 19 2HE MET 19 17.118 13.583 -9.144 163 HE3 MET 19 3HE MET 19 18.328 12.321 -8.812 164 H LEU 20 H LEU 20 22.266 11.943 -11.701 165 HA LEU 20 HA LEU 20 24.752 11.491 -10.344 166 HB2 LEU 20 1HB LEU 20 23.434 10.191 -12.743 167 HB3 LEU 20 2HB LEU 20 24.989 9.647 -12.107 168 HG LEU 20 HG LEU 20 22.385 9.681 -10.541 169 HD11 LEU 20 1HD1 LEU 20 22.463 7.243 -10.820 170 HD12 LEU 20 2HD1 LEU 20 22.332 8.080 -12.384 171 HD13 LEU 20 3HD1 LEU 20 23.895 7.407 -11.861 172 HD21 LEU 20 1HD2 LEU 20 23.684 8.342 -8.921 173 HD22 LEU 20 2HD2 LEU 20 25.135 8.520 -9.935 174 HD23 LEU 20 3HD2 LEU 20 24.414 9.948 -9.154 175 H SER 21 H SER 21 23.900 13.049 -13.353 176 HA SER 21 HA SER 21 26.672 12.945 -14.347 177 HB2 SER 21 1HB SER 21 25.785 14.053 -16.321 178 HB3 SER 21 2HB SER 21 24.774 12.678 -15.905 179 HG SER 21 HG SER 21 23.722 14.539 -14.573 180 H LYS 22 H LYS 22 24.510 15.181 -12.704 181 HA LYS 22 HA LYS 22 26.377 17.377 -12.695 182 HB2 LYS 22 1HB LYS 22 24.203 16.511 -10.755 183 HB3 LYS 22 2HB LYS 22 25.173 17.958 -10.515 184 HG2 LYS 22 1HG LYS 22 24.358 18.860 -12.668 185 HG3 LYS 22 2HG LYS 22 23.368 17.410 -12.889 186 HD2 LYS 22 1HD LYS 22 22.142 17.919 -10.806 187 HD3 LYS 22 2HD LYS 22 23.140 19.362 -10.567 188 HE2 LYS 22 1HE LYS 22 22.304 20.286 -12.711 189 HE3 LYS 22 2HE LYS 22 21.295 18.853 -12.932 190 HZ1 LYS 22 1HZ LYS 22 20.059 20.667 -12.000 191 HZ2 LYS 22 2HZ LYS 22 20.135 19.430 -10.912 192 HZ3 LYS 22 3HZ LYS 22 21.077 20.768 -10.707 193 H GLN 23 H GLN 23 25.896 14.581 -10.497 194 HA GLN 23 HA GLN 23 28.435 14.939 -9.181 195 HB2 GLN 23 1HB GLN 23 26.779 13.460 -8.205 196 HB3 GLN 23 2HB GLN 23 26.707 12.484 -9.664 197 HG2 GLN 23 1HG GLN 23 27.964 11.311 -8.003 198 HG3 GLN 23 2HG GLN 23 29.082 11.829 -9.296 199 HE21 GLN 23 1HE2 GLN 23 29.455 13.203 -5.459 200 HE22 GLN 23 2HE2 GLN 23 28.088 12.261 -5.955 201 H ARG 24 H ARG 24 30.425 14.024 -9.570 202 HA ARG 24 HA ARG 24 30.807 13.086 -12.383 203 HB2 ARG 24 1HB ARG 24 32.852 14.533 -10.674 204 HB3 ARG 24 2HB ARG 24 32.974 14.143 -12.383 205 HG2 ARG 24 1HG ARG 24 31.063 16.127 -11.125 206 HG3 ARG 24 2HG ARG 24 32.506 16.490 -12.102 207 HD2 ARG 24 1HD ARG 24 30.128 14.934 -13.083 208 HD3 ARG 24 2HD ARG 24 30.373 16.679 -13.325 209 HE ARG 24 HE ARG 24 32.686 15.436 -14.243 210 HH11 ARG 24 1HH1 ARG 24 29.258 15.390 -15.009 211 HH12 ARG 24 2HH1 ARG 24 29.513 15.023 -16.701 212 HH21 ARG 24 1HH2 ARG 24 33.004 14.959 -16.441 213 HH22 ARG 24 2HH2 ARG 24 31.633 14.779 -17.512 214 H HIS 25 H HIS 25 31.218 12.407 -9.037 215 HA HIS 25 HA HIS 25 33.375 10.553 -9.103 216 HB2 HIS 25 1HB HIS 25 32.392 11.336 -7.003 217 HB3 HIS 25 2HB HIS 25 30.862 10.563 -7.394 218 HD2 HIS 25 HD2 HIS 25 30.645 8.022 -6.165 219 HE1 HIS 25 HE1 HIS 25 34.826 7.327 -5.866 220 H ASP 26 H ASP 26 33.656 8.730 -10.136 221 HA ASP 26 HA ASP 26 31.375 7.296 -11.295 222 HB2 ASP 26 1HB ASP 26 34.375 6.835 -11.298 223 HB3 ASP 26 2HB ASP 26 33.253 5.649 -11.952 224 H GLY 27 H GLY 27 30.564 5.341 -10.698 225 HA2 GLY 27 1HA GLY 27 30.586 3.335 -9.317 226 HA3 GLY 27 2HA GLY 27 31.576 4.178 -8.140 227 H ALA 28 H ALA 28 29.797 6.644 -8.603 228 HA ALA 28 HA ALA 28 28.008 6.234 -6.424 229 HB1 ALA 28 1HB ALA 28 27.044 8.415 -7.080 230 HB2 ALA 28 2HB ALA 28 28.824 8.458 -7.067 231 HB3 ALA 28 3HB ALA 28 27.948 8.344 -8.610 232 H PHE 29 H PHE 29 25.681 6.348 -6.412 233 HA PHE 29 HA PHE 29 24.328 5.415 -8.859 234 HB2 PHE 29 1HB PHE 29 23.407 3.403 -7.734 235 HB3 PHE 29 2HB PHE 29 25.149 3.310 -7.938 236 HD1 PHE 29 HD1 PHE 29 22.436 3.861 -5.498 237 HD2 PHE 29 HD2 PHE 29 26.621 3.214 -6.066 238 HE1 PHE 29 HE1 PHE 29 22.695 3.421 -3.079 239 HE2 PHE 29 HE2 PHE 29 26.883 2.771 -3.648 240 HZ PHE 29 HZ PHE 29 24.918 2.876 -2.154 241 H LEU 30 H LEU 30 22.030 5.459 -8.720 242 HA LEU 30 HA LEU 30 20.962 6.670 -6.206 243 HB2 LEU 30 1HB LEU 30 21.018 8.144 -8.343 244 HB3 LEU 30 2HB LEU 30 19.721 7.099 -8.930 245 HG LEU 30 HG LEU 30 19.383 8.373 -6.238 246 HD11 LEU 30 1HD1 LEU 30 18.538 10.425 -7.290 247 HD12 LEU 30 2HD1 LEU 30 20.272 10.188 -7.610 248 HD13 LEU 30 3HD1 LEU 30 19.076 9.832 -8.878 249 HD21 LEU 30 1HD2 LEU 30 17.039 8.429 -7.023 250 HD22 LEU 30 2HD2 LEU 30 17.555 7.808 -8.609 251 HD23 LEU 30 3HD2 LEU 30 17.721 6.790 -7.158 252 H ILE 31 H ILE 31 19.869 5.174 -5.150 253 HA ILE 31 HA ILE 31 18.446 3.062 -6.647 254 HB ILE 31 HB ILE 31 19.027 3.497 -3.697 255 HG12 ILE 31 1HG1 ILE 31 19.767 1.161 -5.456 256 HG13 ILE 31 2HG1 ILE 31 20.771 2.598 -5.341 257 HG21 ILE 31 1HG2 ILE 31 17.871 1.363 -3.285 258 HG22 ILE 31 2HG2 ILE 31 16.748 2.586 -3.922 259 HG23 ILE 31 3HG2 ILE 31 17.364 1.304 -4.990 260 HD11 ILE 31 1HD1 ILE 31 21.556 0.857 -3.837 261 HD12 ILE 31 2HD1 ILE 31 20.986 2.270 -2.916 262 HD13 ILE 31 3HD1 ILE 31 19.970 0.814 -3.032 263 H ARG 32 H ARG 32 16.307 2.911 -6.902 264 HA ARG 32 HA ARG 32 14.558 4.844 -5.496 265 HB2 ARG 32 1HB ARG 32 13.683 5.808 -7.498 266 HB3 ARG 32 2HB ARG 32 15.431 5.955 -7.581 267 HG2 ARG 32 1HG ARG 32 15.454 3.900 -9.041 268 HG3 ARG 32 2HG ARG 32 13.676 4.005 -9.081 269 HD2 ARG 32 1HD ARG 32 13.870 6.287 -9.963 270 HD3 ARG 32 2HD ARG 32 15.637 6.092 -10.002 271 HE ARG 32 HE ARG 32 13.663 4.845 -11.773 272 HH11 ARG 32 1HH1 ARG 32 17.000 5.007 -10.685 273 HH12 ARG 32 2HH1 ARG 32 17.636 4.237 -12.121 274 HH21 ARG 32 1HH2 ARG 32 14.503 3.847 -13.632 275 HH22 ARG 32 2HH2 ARG 32 16.224 3.579 -13.790 276 H GLU 33 H GLU 33 12.281 4.435 -5.809 277 HA GLU 33 HA GLU 33 11.723 1.570 -6.086 278 HB2 GLU 33 1HB GLU 33 10.631 2.865 -4.300 279 HB3 GLU 33 2HB GLU 33 9.906 3.940 -5.488 280 HG2 GLU 33 1HG GLU 33 8.579 2.097 -6.387 281 HG3 GLU 33 2HG GLU 33 9.346 0.974 -5.264 282 H SER 34 H SER 34 10.768 0.543 -7.724 283 HA SER 34 HA SER 34 10.452 1.874 -10.268 284 HB2 SER 34 1HB SER 34 11.074 -0.466 -10.175 285 HB3 SER 34 2HB SER 34 9.619 -0.870 -9.277 286 HG SER 34 HG SER 34 9.991 -0.656 -11.888 287 H GLU 35 H GLU 35 8.716 2.707 -11.249 288 HA GLU 35 HA GLU 35 6.213 2.945 -9.745 289 HB2 GLU 35 1HB GLU 35 7.002 3.872 -12.537 290 HB3 GLU 35 2HB GLU 35 5.459 4.225 -11.773 291 HG2 GLU 35 1HG GLU 35 6.692 5.390 -9.938 292 HG3 GLU 35 2HG GLU 35 8.187 5.127 -10.832 293 H SER 36 H SER 36 7.480 1.085 -12.451 294 HA SER 36 HA SER 36 4.918 0.041 -13.289 295 HB2 SER 36 1HB SER 36 7.754 -0.956 -13.710 296 HB3 SER 36 2HB SER 36 6.338 -1.665 -14.471 297 HG SER 36 HG SER 36 6.771 -0.246 -15.905 298 H ALA 37 H ALA 37 7.399 -0.969 -10.984 299 HA ALA 37 HA ALA 37 5.474 -3.029 -10.017 300 HB1 ALA 37 1HB ALA 37 7.388 -4.491 -9.453 301 HB2 ALA 37 2HB ALA 37 7.295 -4.172 -11.201 302 HB3 ALA 37 3HB ALA 37 8.494 -3.318 -10.203 303 HA PRO 38 HA PRO 38 6.357 0.109 -6.799 304 HB2 PRO 38 1HB PRO 38 3.719 -1.152 -5.938 305 HB3 PRO 38 2HB PRO 38 4.222 0.540 -5.836 306 HG2 PRO 38 1HG PRO 38 2.594 -0.162 -7.815 307 HG3 PRO 38 2HG PRO 38 3.951 0.908 -8.176 308 HD2 PRO 38 1HD PRO 38 3.680 -2.080 -8.667 309 HD3 PRO 38 2HD PRO 38 4.411 -0.808 -9.728 310 H GLY 39 H GLY 39 7.274 -0.257 -4.809 311 HA2 GLY 39 1HA GLY 39 7.642 -1.542 -2.794 312 HA3 GLY 39 2HA GLY 39 7.059 -2.978 -3.615 313 H ASP 40 H ASP 40 8.579 -2.525 -6.068 314 HA ASP 40 HA ASP 40 11.157 -3.582 -5.085 315 HB2 ASP 40 1HB ASP 40 9.883 -3.485 -7.845 316 HB3 ASP 40 2HB ASP 40 11.511 -4.085 -7.555 317 H PHE 41 H PHE 41 13.170 -2.939 -6.173 318 HA PHE 41 HA PHE 41 13.155 0.024 -6.570 319 HB2 PHE 41 1HB PHE 41 15.119 -1.817 -5.182 320 HB3 PHE 41 2HB PHE 41 15.621 -0.241 -5.773 321 HD1 PHE 41 HD1 PHE 41 13.500 -2.016 -3.354 322 HD2 PHE 41 HD2 PHE 41 14.879 1.792 -4.714 323 HE1 PHE 41 HE1 PHE 41 12.647 -0.970 -1.284 324 HE2 PHE 41 HE2 PHE 41 14.030 2.842 -2.643 325 HZ PHE 41 HZ PHE 41 12.911 1.460 -0.928 326 H SER 42 H SER 42 14.448 0.930 -8.201 327 HA SER 42 HA SER 42 16.141 -1.005 -9.723 328 HB2 SER 42 1HB SER 42 15.184 1.791 -10.415 329 HB3 SER 42 2HB SER 42 16.359 0.895 -11.365 330 HG SER 42 HG SER 42 14.751 0.024 -12.264 331 H LEU 43 H LEU 43 18.322 -0.479 -10.160 332 HA LEU 43 HA LEU 43 19.461 1.611 -8.351 333 HB2 LEU 43 1HB LEU 43 19.891 -0.931 -7.854 334 HB3 LEU 43 2HB LEU 43 21.013 -0.826 -9.214 335 HG LEU 43 HG LEU 43 21.277 1.193 -7.012 336 HD11 LEU 43 1HD1 LEU 43 22.644 -0.378 -5.712 337 HD12 LEU 43 2HD1 LEU 43 20.950 -0.912 -5.817 338 HD13 LEU 43 3HD1 LEU 43 22.193 -1.691 -6.825 339 HD21 LEU 43 1HD2 LEU 43 23.660 0.915 -7.609 340 HD22 LEU 43 2HD2 LEU 43 23.225 -0.381 -8.749 341 HD23 LEU 43 3HD2 LEU 43 22.679 1.287 -9.047 342 H SER 44 H SER 44 19.995 3.277 -9.584 343 HA SER 44 HA SER 44 21.145 2.749 -12.276 344 HB2 SER 44 1HB SER 44 19.882 5.157 -10.963 345 HB3 SER 44 2HB SER 44 20.875 5.333 -12.403 346 HG SER 44 HG SER 44 19.506 4.147 -13.535 347 H VAL 45 H VAL 45 23.275 2.597 -12.387 348 HA VAL 45 HA VAL 45 24.848 3.867 -10.199 349 HB VAL 45 HB VAL 45 24.956 1.382 -10.406 350 HG11 VAL 45 1HG1 VAL 45 26.098 0.369 -12.318 351 HG12 VAL 45 2HG1 VAL 45 24.594 1.189 -12.799 352 HG13 VAL 45 3HG1 VAL 45 26.169 1.957 -13.116 353 HG21 VAL 45 1HG2 VAL 45 27.425 1.221 -10.402 354 HG22 VAL 45 2HG2 VAL 45 27.530 2.838 -11.138 355 HG23 VAL 45 3HG2 VAL 45 26.872 2.648 -9.496 356 H LYS 46 H LYS 46 26.088 5.545 -10.639 357 HA LYS 46 HA LYS 46 26.718 6.202 -13.445 358 HB2 LYS 46 1HB LYS 46 25.971 8.011 -11.963 359 HB3 LYS 46 2HB LYS 46 27.281 7.674 -10.840 360 HG2 LYS 46 1HG LYS 46 28.059 9.518 -12.009 361 HG3 LYS 46 2HG LYS 46 28.850 8.176 -12.847 362 HD2 LYS 46 1HD LYS 46 27.419 8.321 -14.706 363 HD3 LYS 46 2HD LYS 46 26.178 9.203 -13.804 364 HE2 LYS 46 1HE LYS 46 28.574 10.211 -15.205 365 HE3 LYS 46 2HE LYS 46 27.044 11.019 -14.852 366 HZ1 LYS 46 1HZ LYS 46 28.866 12.025 -13.685 367 HZ2 LYS 46 2HZ LYS 46 27.812 11.359 -12.603 368 HZ3 LYS 46 3HZ LYS 46 29.241 10.605 -12.934 369 H PHE 47 H PHE 47 28.157 4.580 -14.032 370 HA PHE 47 HA PHE 47 30.895 5.137 -12.980 371 HB2 PHE 47 1HB PHE 47 29.892 2.841 -12.320 372 HB3 PHE 47 2HB PHE 47 30.045 2.417 -14.017 373 HD1 PHE 47 HD1 PHE 47 32.330 2.490 -15.095 374 HD2 PHE 47 HD2 PHE 47 31.745 2.767 -10.872 375 HE1 PHE 47 HE1 PHE 47 34.691 1.856 -14.727 376 HE2 PHE 47 HE2 PHE 47 34.106 2.136 -10.501 377 HZ PHE 47 HZ PHE 47 35.579 1.679 -12.430 378 H GLY 48 H GLY 48 32.105 6.042 -14.475 379 HA2 GLY 48 1HA GLY 48 33.378 5.878 -16.484 380 HA3 GLY 48 2HA GLY 48 32.161 4.818 -17.172 381 H ASN 49 H ASN 49 31.569 7.932 -15.563 382 HA ASN 49 HA ASN 49 30.426 9.797 -16.283 383 HB2 ASN 49 1HB ASN 49 32.589 9.783 -17.757 384 HB3 ASN 49 2HB ASN 49 31.499 9.333 -19.061 385 HD21 ASN 49 1HD2 ASN 49 31.038 12.718 -19.661 386 HD22 ASN 49 2HD2 ASN 49 31.602 11.182 -20.229 387 H ASP 50 H ASP 50 29.230 7.078 -16.573 388 HA ASP 50 HA ASP 50 26.814 8.114 -17.857 389 HB2 ASP 50 1HB ASP 50 28.375 6.823 -19.603 390 HB3 ASP 50 2HB ASP 50 27.663 5.405 -18.846 391 H VAL 51 H VAL 51 25.038 6.341 -17.761 392 HA VAL 51 HA VAL 51 25.274 5.148 -15.029 393 HB VAL 51 HB VAL 51 22.771 6.305 -16.326 394 HG11 VAL 51 1HG1 VAL 51 21.827 6.137 -14.075 395 HG12 VAL 51 2HG1 VAL 51 22.315 4.549 -14.713 396 HG13 VAL 51 3HG1 VAL 51 23.329 5.373 -13.503 397 HG21 VAL 51 1HG2 VAL 51 23.067 8.181 -14.740 398 HG22 VAL 51 2HG2 VAL 51 24.608 7.476 -14.196 399 HG23 VAL 51 3HG2 VAL 51 24.440 8.068 -15.866 400 H GLN 52 H GLN 52 24.879 3.042 -14.840 401 HA GLN 52 HA GLN 52 23.288 1.723 -16.994 402 HB2 GLN 52 1HB GLN 52 25.376 0.668 -15.066 403 HB3 GLN 52 2HB GLN 52 24.254 -0.411 -15.881 404 HG2 GLN 52 1HG GLN 52 25.057 0.544 -18.069 405 HG3 GLN 52 2HG GLN 52 26.327 1.386 -17.138 406 HE21 GLN 52 1HE2 GLN 52 26.402 -2.749 -17.135 407 HE22 GLN 52 2HE2 GLN 52 24.892 -1.908 -17.023 408 H HIS 53 H HIS 53 21.550 0.429 -16.508 409 HA HIS 53 HA HIS 53 20.348 1.032 -13.840 410 HB2 HIS 53 1HB HIS 53 18.995 1.850 -15.656 411 HB3 HIS 53 2HB HIS 53 19.118 0.325 -16.522 412 HD2 HIS 53 HD2 HIS 53 16.292 1.945 -14.802 413 HE1 HIS 53 HE1 HIS 53 16.138 -2.072 -13.429 414 H PHE 54 H PHE 54 20.373 -0.490 -12.376 415 HA PHE 54 HA PHE 54 20.271 -3.328 -13.294 416 HB2 PHE 54 1HB PHE 54 21.029 -2.291 -10.538 417 HB3 PHE 54 2HB PHE 54 21.199 -3.934 -11.134 418 HD1 PHE 54 HD1 PHE 54 22.189 -2.960 -13.959 419 HD2 PHE 54 HD2 PHE 54 23.355 -2.115 -9.936 420 HE1 PHE 54 HE1 PHE 54 24.479 -2.445 -14.732 421 HE2 PHE 54 HE2 PHE 54 25.646 -1.597 -10.707 422 HZ PHE 54 HZ PHE 54 26.208 -1.762 -13.107 423 H LYS 55 H LYS 55 19.091 -4.823 -11.789 424 HA LYS 55 HA LYS 55 16.486 -3.523 -11.107 425 HB2 LYS 55 1HB LYS 55 15.426 -5.679 -11.709 426 HB3 LYS 55 2HB LYS 55 16.284 -4.966 -13.069 427 HG2 LYS 55 1HG LYS 55 18.251 -6.509 -12.376 428 HG3 LYS 55 2HG LYS 55 17.037 -7.372 -11.420 429 HD2 LYS 55 1HD LYS 55 15.634 -7.427 -13.594 430 HD3 LYS 55 2HD LYS 55 17.133 -6.969 -14.418 431 HE2 LYS 55 1HE LYS 55 18.260 -8.957 -13.457 432 HE3 LYS 55 2HE LYS 55 16.757 -9.418 -12.653 433 HZ1 LYS 55 1HZ LYS 55 17.057 -10.597 -14.704 434 HZ2 LYS 55 2HZ LYS 55 15.732 -9.622 -14.812 435 HZ3 LYS 55 3HZ LYS 55 17.135 -9.192 -15.564 436 H VAL 56 H VAL 56 15.990 -3.493 -9.053 437 HA VAL 56 HA VAL 56 17.296 -5.505 -7.275 438 HB VAL 56 HB VAL 56 16.168 -2.750 -6.611 439 HG11 VAL 56 1HG1 VAL 56 17.191 -3.085 -4.414 440 HG12 VAL 56 2HG1 VAL 56 15.929 -4.294 -4.752 441 HG13 VAL 56 3HG1 VAL 56 17.647 -4.741 -4.880 442 HG21 VAL 56 1HG2 VAL 56 18.543 -2.143 -6.270 443 HG22 VAL 56 2HG2 VAL 56 19.032 -3.771 -6.798 444 HG23 VAL 56 3HG2 VAL 56 18.245 -2.662 -7.946 445 H LEU 57 H LEU 57 15.978 -7.133 -6.731 446 HA LEU 57 HA LEU 57 13.047 -6.571 -6.899 447 HB2 LEU 57 1HB LEU 57 14.459 -9.173 -7.569 448 HB3 LEU 57 2HB LEU 57 12.758 -8.780 -7.840 449 HG LEU 57 HG LEU 57 15.106 -7.472 -9.260 450 HD11 LEU 57 1HD1 LEU 57 14.334 -8.762 -11.201 451 HD12 LEU 57 2HD1 LEU 57 14.839 -9.823 -9.864 452 HD13 LEU 57 3HD1 LEU 57 13.109 -9.557 -10.185 453 HD21 LEU 57 1HD2 LEU 57 13.334 -6.516 -10.695 454 HD22 LEU 57 2HD2 LEU 57 12.093 -7.279 -9.672 455 HD23 LEU 57 3HD2 LEU 57 13.136 -6.001 -9.003 456 H ARG 58 H ARG 58 11.667 -7.471 -5.433 457 HA ARG 58 HA ARG 58 12.804 -8.439 -2.933 458 HB2 ARG 58 1HB ARG 58 9.947 -8.189 -3.924 459 HB3 ARG 58 2HB ARG 58 10.371 -8.760 -2.319 460 HG2 ARG 58 1HG ARG 58 11.314 -6.638 -1.721 461 HG3 ARG 58 2HG ARG 58 11.170 -6.047 -3.394 462 HD2 ARG 58 1HD ARG 58 8.847 -6.893 -1.681 463 HD3 ARG 58 2HD ARG 58 9.423 -5.219 -1.858 464 HE ARG 58 HE ARG 58 9.043 -6.086 -4.439 465 HH11 ARG 58 1HH1 ARG 58 7.039 -5.895 -1.560 466 HH12 ARG 58 2HH1 ARG 58 5.555 -5.663 -2.456 467 HH21 ARG 58 1HH2 ARG 58 7.111 -5.784 -5.591 468 HH22 ARG 58 2HH2 ARG 58 5.594 -5.600 -4.738 469 H ASP 59 H ASP 59 12.858 -10.487 -2.120 470 HA ASP 59 HA ASP 59 11.880 -12.690 -3.841 471 HB2 ASP 59 1HB ASP 59 13.003 -14.176 -2.295 472 HB3 ASP 59 2HB ASP 59 14.108 -12.877 -2.720 473 H GLY 60 H GLY 60 11.155 -14.568 -1.991 474 HA2 GLY 60 1HA GLY 60 8.390 -13.794 -1.631 475 HA3 GLY 60 2HA GLY 60 9.108 -15.331 -1.183 476 H ALA 61 H ALA 61 11.174 -13.345 0.254 477 HA ALA 61 HA ALA 61 9.757 -13.494 2.832 478 HB1 ALA 61 1HB ALA 61 11.945 -12.861 3.797 479 HB2 ALA 61 2HB ALA 61 12.083 -14.271 2.720 480 HB3 ALA 61 3HB ALA 61 12.603 -12.665 2.157 481 H GLY 62 H GLY 62 9.985 -11.282 0.354 482 HA2 GLY 62 1HA GLY 62 9.461 -8.992 0.289 483 HA3 GLY 62 2HA GLY 62 9.333 -8.975 2.037 484 H LYS 63 H LYS 63 12.174 -10.444 0.727 485 HA LYS 63 HA LYS 63 13.747 -8.081 1.645 486 HB2 LYS 63 1HB LYS 63 14.323 -11.053 1.620 487 HB3 LYS 63 2HB LYS 63 15.631 -9.882 1.715 488 HG2 LYS 63 1HG LYS 63 14.397 -8.901 3.744 489 HG3 LYS 63 2HG LYS 63 13.417 -10.373 3.708 490 HD2 LYS 63 1HD LYS 63 16.445 -10.472 3.724 491 HD3 LYS 63 2HD LYS 63 15.503 -10.372 5.219 492 HE2 LYS 63 1HE LYS 63 14.248 -12.426 4.499 493 HE3 LYS 63 2HE LYS 63 15.328 -12.551 3.108 494 HZ1 LYS 63 1HZ LYS 63 16.053 -13.929 4.914 495 HZ2 LYS 63 2HZ LYS 63 17.172 -12.751 4.630 496 HZ3 LYS 63 3HZ LYS 63 16.163 -12.635 5.930 497 H TYR 64 H TYR 64 15.661 -7.475 0.492 498 HA TYR 64 HA TYR 64 14.892 -7.557 -2.376 499 HB2 TYR 64 1HB TYR 64 16.486 -5.536 -0.751 500 HB3 TYR 64 2HB TYR 64 16.255 -5.428 -2.492 501 HD1 TYR 64 HD1 TYR 64 14.637 -5.155 0.794 502 HD2 TYR 64 HD2 TYR 64 14.112 -4.833 -3.451 503 HE1 TYR 64 HE1 TYR 64 12.502 -3.962 1.149 504 HE2 TYR 64 HE2 TYR 64 11.977 -3.639 -3.096 505 HH TYR 64 HH TYR 64 10.542 -2.839 -1.611 506 H PHE 65 H PHE 65 16.224 -8.127 -3.989 507 HA PHE 65 HA PHE 65 19.128 -8.263 -3.423 508 HB2 PHE 65 1HB PHE 65 19.379 -10.462 -4.418 509 HB3 PHE 65 2HB PHE 65 18.244 -10.571 -3.082 510 HD1 PHE 65 HD1 PHE 65 18.707 -10.902 -6.667 511 HD2 PHE 65 HD2 PHE 65 15.822 -10.825 -3.518 512 HE1 PHE 65 HE1 PHE 65 17.041 -11.940 -8.170 513 HE2 PHE 65 HE2 PHE 65 14.154 -11.866 -5.017 514 HZ PHE 65 HZ PHE 65 14.765 -12.422 -7.345 515 H LEU 66 H LEU 66 20.336 -8.777 -5.546 516 HA LEU 66 HA LEU 66 18.973 -7.383 -7.800 517 HB2 LEU 66 1HB LEU 66 20.460 -5.850 -6.376 518 HB3 LEU 66 2HB LEU 66 21.829 -6.792 -6.975 519 HG LEU 66 HG LEU 66 19.890 -5.276 -8.757 520 HD11 LEU 66 1HD1 LEU 66 21.699 -3.630 -8.970 521 HD12 LEU 66 2HD1 LEU 66 21.112 -3.750 -7.293 522 HD13 LEU 66 3HD1 LEU 66 22.650 -4.518 -7.756 523 HD21 LEU 66 1HD2 LEU 66 21.648 -5.654 -10.452 524 HD22 LEU 66 2HD2 LEU 66 22.601 -6.572 -9.260 525 HD23 LEU 66 3HD2 LEU 66 21.029 -7.198 -9.816 526 H TRP 67 H TRP 67 22.107 -8.924 -6.932 527 HA TRP 67 HA TRP 67 22.420 -9.601 -9.787 528 HB2 TRP 67 1HB TRP 67 24.324 -9.756 -7.418 529 HB3 TRP 67 2HB TRP 67 24.748 -10.264 -9.047 530 HD1 TRP 67 HD1 TRP 67 24.723 -7.265 -6.848 531 HE1 TRP 67 HE1 TRP 67 25.329 -5.136 -8.184 532 HE3 TRP 67 HE3 TRP 67 24.290 -9.167 -11.590 533 HZ2 TRP 67 HZ2 TRP 67 25.585 -4.391 -10.895 534 HZ3 TRP 67 HZ3 TRP 67 24.728 -7.692 -13.513 535 HH2 TRP 67 HH2 TRP 67 25.368 -5.341 -13.178 536 H VAL 68 H VAL 68 23.978 -11.547 -7.367 537 HA VAL 68 HA VAL 68 22.112 -13.799 -7.868 538 HB VAL 68 HB VAL 68 25.113 -13.910 -8.399 539 HG11 VAL 68 1HG1 VAL 68 24.728 -16.246 -9.015 540 HG12 VAL 68 2HG1 VAL 68 24.344 -15.936 -7.305 541 HG13 VAL 68 3HG1 VAL 68 23.032 -16.102 -8.495 542 HG21 VAL 68 1HG2 VAL 68 24.408 -14.459 -10.707 543 HG22 VAL 68 2HG2 VAL 68 22.705 -14.255 -10.233 544 HG23 VAL 68 3HG2 VAL 68 23.808 -12.858 -10.215 545 H VAL 69 H VAL 69 25.388 -13.327 -6.428 546 HA VAL 69 HA VAL 69 24.795 -14.464 -3.901 547 HB VAL 69 HB VAL 69 27.069 -13.742 -4.718 548 HG11 VAL 69 1HG1 VAL 69 27.733 -11.404 -4.439 549 HG12 VAL 69 2HG1 VAL 69 26.454 -11.592 -5.662 550 HG13 VAL 69 3HG1 VAL 69 26.053 -10.975 -4.040 551 HG21 VAL 69 1HG2 VAL 69 27.845 -12.954 -2.505 552 HG22 VAL 69 2HG2 VAL 69 26.165 -12.579 -2.052 553 HG23 VAL 69 3HG2 VAL 69 26.654 -14.266 -2.340 554 H LYS 70 H LYS 70 23.827 -13.752 -2.082 555 HA LYS 70 HA LYS 70 22.682 -10.995 -2.141 556 HB2 LYS 70 1HB LYS 70 20.909 -12.624 -2.698 557 HB3 LYS 70 2HB LYS 70 21.271 -13.541 -1.243 558 HG2 LYS 70 1HG LYS 70 20.595 -11.609 0.142 559 HG3 LYS 70 2HG LYS 70 20.216 -10.699 -1.327 560 HD2 LYS 70 1HD LYS 70 18.552 -12.429 -1.958 561 HD3 LYS 70 2HD LYS 70 18.918 -13.312 -0.469 562 HE2 LYS 70 1HE LYS 70 18.219 -11.315 0.853 563 HE3 LYS 70 2HE LYS 70 17.786 -10.495 -0.649 564 HZ1 LYS 70 1HZ LYS 70 15.889 -11.507 0.381 565 HZ2 LYS 70 2HZ LYS 70 16.186 -12.234 -1.069 566 HZ3 LYS 70 3HZ LYS 70 16.590 -13.000 0.336 567 H PHE 71 H PHE 71 22.632 -9.875 -0.255 568 HA PHE 71 HA PHE 71 23.699 -11.299 2.150 569 HB2 PHE 71 1HB PHE 71 24.098 -8.404 1.299 570 HB3 PHE 71 2HB PHE 71 24.561 -9.043 2.868 571 HD1 PHE 71 HD1 PHE 71 25.158 -9.426 -0.781 572 HD2 PHE 71 HD2 PHE 71 26.615 -10.124 3.175 573 HE1 PHE 71 HE1 PHE 71 27.339 -10.126 -1.709 574 HE2 PHE 71 HE2 PHE 71 28.799 -10.821 2.250 575 HZ PHE 71 HZ PHE 71 29.160 -10.823 -0.194 576 H ASN 72 H ASN 72 23.238 -9.416 4.070 577 HA ASN 72 HA ASN 72 20.600 -10.308 4.699 578 HB2 ASN 72 1HB ASN 72 22.486 -8.349 6.029 579 HB3 ASN 72 2HB ASN 72 20.895 -8.708 6.688 580 HD21 ASN 72 1HD2 ASN 72 23.986 -11.242 7.204 581 HD22 ASN 72 2HD2 ASN 72 24.132 -9.735 6.363 582 H SER 73 H SER 73 21.759 -7.453 3.133 583 HA SER 73 HA SER 73 18.990 -6.555 2.751 584 HB2 SER 73 1HB SER 73 19.293 -4.349 3.648 585 HB3 SER 73 2HB SER 73 19.705 -5.502 4.907 586 HG SER 73 HG SER 73 21.630 -4.809 4.906 587 H LEU 74 H LEU 74 18.787 -4.880 1.137 588 HA LEU 74 HA LEU 74 20.517 -4.946 -1.066 589 HB2 LEU 74 1HB LEU 74 18.307 -3.972 -1.218 590 HB3 LEU 74 2HB LEU 74 18.724 -2.718 -0.047 591 HG LEU 74 HG LEU 74 20.357 -1.782 -1.691 592 HD11 LEU 74 1HD1 LEU 74 20.248 -2.560 -4.017 593 HD12 LEU 74 2HD1 LEU 74 20.816 -3.841 -2.921 594 HD13 LEU 74 3HD1 LEU 74 19.143 -3.866 -3.527 595 HD21 LEU 74 1HD2 LEU 74 18.625 -0.837 -3.180 596 HD22 LEU 74 2HD2 LEU 74 17.496 -2.119 -2.679 597 HD23 LEU 74 3HD2 LEU 74 18.052 -0.911 -1.497 598 H ASN 75 H ASN 75 20.519 -2.678 1.693 599 HA ASN 75 HA ASN 75 22.633 -1.035 0.722 600 HB2 ASN 75 1HB ASN 75 21.613 -1.608 3.516 601 HB3 ASN 75 2HB ASN 75 22.908 -0.461 3.199 602 HD21 ASN 75 1HD2 ASN 75 19.624 1.294 3.316 603 HD22 ASN 75 2HD2 ASN 75 20.474 0.227 4.382 604 H GLU 76 H GLU 76 22.649 -4.152 2.275 605 HA GLU 76 HA GLU 76 25.455 -3.991 3.061 606 HB2 GLU 76 1HB GLU 76 23.695 -5.397 4.232 607 HB3 GLU 76 2HB GLU 76 23.691 -6.460 2.832 608 HG2 GLU 76 1HG GLU 76 25.882 -7.204 3.235 609 HG3 GLU 76 2HG GLU 76 26.240 -5.860 4.317 610 H LEU 77 H LEU 77 23.592 -5.423 0.397 611 HA LEU 77 HA LEU 77 25.847 -6.983 -0.553 612 HB2 LEU 77 1HB LEU 77 24.394 -7.794 -2.201 613 HB3 LEU 77 2HB LEU 77 23.333 -7.485 -0.823 614 HG LEU 77 HG LEU 77 22.964 -5.156 -2.049 615 HD11 LEU 77 1HD1 LEU 77 23.025 -5.421 -4.488 616 HD12 LEU 77 2HD1 LEU 77 24.649 -5.552 -3.773 617 HD13 LEU 77 3HD1 LEU 77 23.785 -7.018 -4.297 618 HD21 LEU 77 1HD2 LEU 77 21.024 -6.186 -3.181 619 HD22 LEU 77 2HD2 LEU 77 21.755 -7.796 -2.970 620 HD23 LEU 77 3HD2 LEU 77 21.242 -6.859 -1.547 621 H VAL 78 H VAL 78 24.459 -3.835 -1.285 622 HA VAL 78 HA VAL 78 26.058 -3.385 -3.656 623 HB VAL 78 HB VAL 78 25.376 -1.034 -3.402 624 HG11 VAL 78 1HG1 VAL 78 22.949 -1.337 -3.474 625 HG12 VAL 78 2HG1 VAL 78 23.804 -2.587 -4.408 626 HG13 VAL 78 3HG1 VAL 78 23.134 -2.976 -2.806 627 HG21 VAL 78 1HG2 VAL 78 24.006 -0.348 -1.459 628 HG22 VAL 78 2HG2 VAL 78 24.232 -1.958 -0.733 629 HG23 VAL 78 3HG2 VAL 78 25.627 -0.874 -0.948 630 H ASP 79 H ASP 79 26.577 -3.090 -0.210 631 HA ASP 79 HA ASP 79 29.036 -1.570 -0.425 632 HB2 ASP 79 1HB ASP 79 27.660 -1.783 1.675 633 HB3 ASP 79 2HB ASP 79 28.153 -3.466 1.787 634 H TYR 80 H TYR 80 28.264 -5.054 -0.137 635 HA TYR 80 HA TYR 80 30.879 -6.057 -0.518 636 HB2 TYR 80 1HB TYR 80 29.072 -7.569 0.008 637 HB3 TYR 80 2HB TYR 80 28.174 -7.099 -1.429 638 HD1 TYR 80 HD1 TYR 80 31.346 -8.725 -0.327 639 HD2 TYR 80 HD2 TYR 80 28.421 -8.269 -3.432 640 HE1 TYR 80 HE1 TYR 80 32.396 -10.572 -1.588 641 HE2 TYR 80 HE2 TYR 80 29.471 -10.117 -4.693 642 HH TYR 80 HH TYR 80 31.091 -11.627 -4.736 643 H HIS 81 H HIS 81 28.440 -5.117 -2.954 644 HA HIS 81 HA HIS 81 30.391 -5.498 -5.129 645 HB2 HIS 81 1HB HIS 81 27.506 -4.573 -5.033 646 HB3 HIS 81 2HB HIS 81 28.464 -4.505 -6.506 647 HD2 HIS 81 HD2 HIS 81 26.153 -7.051 -4.741 648 HE1 HIS 81 HE1 HIS 81 28.707 -9.235 -7.341 649 H ARG 82 H ARG 82 30.205 -3.223 -2.830 650 HA ARG 82 HA ARG 82 31.054 -1.036 -4.621 651 HB2 ARG 82 1HB ARG 82 29.874 -0.414 -2.588 652 HB3 ARG 82 2HB ARG 82 31.019 -1.305 -1.597 653 HG2 ARG 82 1HG ARG 82 32.799 0.255 -2.192 654 HG3 ARG 82 2HG ARG 82 31.683 1.135 -3.264 655 HD2 ARG 82 1HD ARG 82 31.862 2.296 -1.195 656 HD3 ARG 82 2HD ARG 82 30.243 1.569 -1.309 657 HE ARG 82 HE ARG 82 30.737 0.188 0.466 658 HH11 ARG 82 1HH1 ARG 82 33.661 1.797 -0.630 659 HH12 ARG 82 2HH1 ARG 82 34.606 1.296 0.754 660 HH21 ARG 82 1HH2 ARG 82 31.974 -0.455 2.259 661 HH22 ARG 82 2HH2 ARG 82 33.652 0.022 2.391 662 H SER 83 H SER 83 32.482 -3.193 -2.150 663 HA SER 83 HA SER 83 35.183 -2.329 -2.621 664 HB2 SER 83 1HB SER 83 34.067 -4.893 -1.440 665 HB3 SER 83 2HB SER 83 35.769 -4.461 -1.431 666 HG SER 83 HG SER 83 33.609 -3.237 -0.155 667 H THR 84 H THR 84 33.152 -4.890 -3.985 668 HA THR 84 HA THR 84 35.389 -5.528 -5.865 669 HB THR 84 HB THR 84 33.260 -7.419 -4.775 670 HG1 THR 84 HG1 THR 84 34.986 -8.336 -3.687 671 HG21 THR 84 1HG2 THR 84 34.486 -9.148 -6.029 672 HG22 THR 84 2HG2 THR 84 33.847 -7.901 -7.125 673 HG23 THR 84 3HG2 THR 84 35.572 -7.905 -6.691 674 H SER 85 H SER 85 34.994 -5.557 -7.992 675 HA SER 85 HA SER 85 32.780 -4.169 -9.051 676 HB2 SER 85 1HB SER 85 34.770 -4.370 -10.353 677 HB3 SER 85 2HB SER 85 34.731 -6.125 -10.287 678 HG SER 85 HG SER 85 33.686 -5.993 -12.036 679 H VAL 86 H VAL 86 30.937 -4.784 -10.172 680 HA VAL 86 HA VAL 86 29.583 -7.087 -9.090 681 HB VAL 86 HB VAL 86 27.725 -6.425 -10.531 682 HG11 VAL 86 1HG1 VAL 86 27.434 -4.106 -9.805 683 HG12 VAL 86 2HG1 VAL 86 28.081 -5.135 -8.506 684 HG13 VAL 86 3HG1 VAL 86 29.160 -4.022 -9.381 685 HG21 VAL 86 1HG2 VAL 86 27.993 -4.593 -12.173 686 HG22 VAL 86 2HG2 VAL 86 29.736 -4.533 -11.819 687 HG23 VAL 86 3HG2 VAL 86 29.031 -5.979 -12.580 688 H SER 87 H SER 87 31.732 -6.668 -11.718 689 HA SER 87 HA SER 87 31.113 -9.315 -12.817 690 HB2 SER 87 1HB SER 87 29.449 -8.062 -14.004 691 HB3 SER 87 2HB SER 87 30.576 -6.760 -14.352 692 HG SER 87 HG SER 87 30.047 -8.708 -15.863 693 H ARG 88 H ARG 88 32.674 -10.080 -14.303 694 HA ARG 88 HA ARG 88 35.309 -8.851 -13.980 695 HB2 ARG 88 1HB ARG 88 34.368 -11.285 -15.531 696 HB3 ARG 88 2HB ARG 88 36.045 -10.772 -15.433 697 HG2 ARG 88 1HG ARG 88 36.023 -11.103 -13.003 698 HG3 ARG 88 2HG ARG 88 34.317 -11.606 -13.090 699 HD2 ARG 88 1HD ARG 88 34.938 -13.457 -14.532 700 HD3 ARG 88 2HD ARG 88 36.642 -12.953 -14.447 701 HE ARG 88 HE ARG 88 35.712 -13.271 -11.816 702 HH11 ARG 88 1HH1 ARG 88 36.304 -15.230 -14.671 703 HH12 ARG 88 2HH1 ARG 88 36.657 -16.679 -13.757 704 HH21 ARG 88 1HH2 ARG 88 36.173 -15.158 -10.640 705 HH22 ARG 88 2HH2 ARG 88 36.583 -16.639 -11.476 706 H ASN 89 H ASN 89 32.709 -8.487 -16.121 707 HA ASN 89 HA ASN 89 34.537 -7.435 -18.240 708 HB2 ASN 89 1HB ASN 89 31.726 -8.554 -18.489 709 HB3 ASN 89 2HB ASN 89 32.613 -7.785 -19.798 710 HD21 ASN 89 1HD2 ASN 89 33.198 -11.650 -18.909 711 HD22 ASN 89 2HD2 ASN 89 31.983 -10.667 -18.165 712 H GLN 90 H GLN 90 31.723 -6.818 -16.229 713 HA GLN 90 HA GLN 90 31.636 -4.040 -17.318 714 HB2 GLN 90 1HB GLN 90 29.541 -5.506 -15.664 715 HB3 GLN 90 2HB GLN 90 29.378 -3.900 -16.360 716 HG2 GLN 90 1HG GLN 90 29.581 -4.894 -18.626 717 HG3 GLN 90 2HG GLN 90 29.620 -6.510 -17.867 718 HE21 GLN 90 1HE2 GLN 90 26.167 -6.569 -18.470 719 HE22 GLN 90 2HE2 GLN 90 27.727 -7.166 -18.931 720 H GLN 91 H GLN 91 33.178 -2.977 -16.181 721 HA GLN 91 HA GLN 91 33.692 -3.655 -13.403 722 HB2 GLN 91 1HB GLN 91 34.804 -1.454 -15.188 723 HB3 GLN 91 2HB GLN 91 35.376 -1.792 -13.560 724 HG2 GLN 91 1HG GLN 91 35.388 -3.867 -15.752 725 HG3 GLN 91 2HG GLN 91 36.743 -2.744 -15.447 726 HE21 GLN 91 1HE2 GLN 91 36.464 -6.152 -13.395 727 HE22 GLN 91 2HE2 GLN 91 35.599 -5.797 -14.853 728 H ILE 92 H ILE 92 31.567 -3.208 -12.543 729 HA ILE 92 HA ILE 92 31.146 -0.290 -12.073 730 HB ILE 92 HB ILE 92 29.138 -2.530 -11.603 731 HG12 ILE 92 1HG1 ILE 92 29.931 -2.255 -14.019 732 HG13 ILE 92 2HG1 ILE 92 28.204 -2.195 -13.705 733 HG21 ILE 92 1HG2 ILE 92 27.524 -0.672 -11.600 734 HG22 ILE 92 2HG2 ILE 92 28.754 -0.452 -10.334 735 HG23 ILE 92 3HG2 ILE 92 28.851 0.488 -11.842 736 HD11 ILE 92 1HD1 ILE 92 28.866 -0.481 -15.297 737 HD12 ILE 92 2HD1 ILE 92 28.259 0.260 -13.796 738 HD13 ILE 92 3HD1 ILE 92 30.010 0.199 -14.115 739 H PHE 93 H PHE 93 31.503 0.529 -10.134 740 HA PHE 93 HA PHE 93 31.477 -1.352 -7.809 741 HB2 PHE 93 1HB PHE 93 33.206 1.127 -8.178 742 HB3 PHE 93 2HB PHE 93 33.157 0.125 -6.737 743 HD1 PHE 93 HD1 PHE 93 33.818 -0.101 -10.406 744 HD2 PHE 93 HD2 PHE 93 34.658 -1.618 -6.502 745 HE1 PHE 93 HE1 PHE 93 35.589 -1.543 -11.350 746 HE2 PHE 93 HE2 PHE 93 36.432 -3.061 -7.442 747 HZ PHE 93 HZ PHE 93 36.896 -3.024 -9.868 748 H LEU 94 H LEU 94 29.747 -1.018 -6.606 749 HA LEU 94 HA LEU 94 28.169 1.391 -6.987 750 HB2 LEU 94 1HB LEU 94 27.814 -0.954 -5.087 751 HB3 LEU 94 2HB LEU 94 26.618 0.315 -5.370 752 HG LEU 94 HG LEU 94 27.550 -1.816 -7.316 753 HD11 LEU 94 1HD1 LEU 94 25.172 -2.421 -7.280 754 HD12 LEU 94 2HD1 LEU 94 25.896 -2.503 -5.657 755 HD13 LEU 94 3HD1 LEU 94 24.859 -1.127 -6.101 756 HD21 LEU 94 1HD2 LEU 94 26.026 -0.741 -8.938 757 HD22 LEU 94 2HD2 LEU 94 25.724 0.578 -7.782 758 HD23 LEU 94 3HD2 LEU 94 27.347 0.358 -8.478 759 H ARG 95 H ARG 95 29.752 2.949 -6.229 760 HA ARG 95 HA ARG 95 30.412 2.856 -3.356 761 HB2 ARG 95 1HB ARG 95 31.187 4.810 -5.548 762 HB3 ARG 95 2HB ARG 95 31.743 4.908 -3.884 763 HG2 ARG 95 1HG ARG 95 33.038 2.945 -4.079 764 HG3 ARG 95 2HG ARG 95 32.230 2.465 -5.590 765 HD2 ARG 95 1HD ARG 95 33.177 4.445 -6.683 766 HD3 ARG 95 2HD ARG 95 34.048 4.827 -5.179 767 HE ARG 95 HE ARG 95 34.940 2.374 -5.564 768 HH11 ARG 95 1HH1 ARG 95 34.410 4.898 -7.949 769 HH12 ARG 95 2HH1 ARG 95 35.681 4.335 -9.011 770 HH21 ARG 95 1HH2 ARG 95 36.587 1.653 -6.951 771 HH22 ARG 95 2HH2 ARG 95 36.914 2.498 -8.447 772 H ASP 96 H ASP 96 29.896 4.463 -1.864 773 HA ASP 96 HA ASP 96 27.360 5.844 -2.382 774 HB2 ASP 96 1HB ASP 96 29.162 5.658 0.060 775 HB3 ASP 96 2HB ASP 96 27.699 6.631 0.022 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.251 1.427 -7.866 2 H2 MET 1 2H MET 1 -1.169 2.985 -7.385 3 H3 MET 1 3H MET 1 -0.006 2.366 -8.348 4 HA MET 1 HA MET 1 -0.572 1.582 -5.603 5 HB2 MET 1 1HB MET 1 1.533 0.617 -7.576 6 HB3 MET 1 2HB MET 1 1.542 0.242 -5.859 7 HG2 MET 1 1HG MET 1 -0.625 -0.917 -6.103 8 HG3 MET 1 2HG MET 1 -0.623 -0.548 -7.828 9 HE1 MET 1 1HE MET 1 2.218 -3.489 -5.682 10 HE2 MET 1 2HE MET 1 2.210 -1.748 -5.305 11 HE3 MET 1 3HE MET 1 0.773 -2.741 -4.960 12 H LYS 2 H LYS 2 -0.047 3.194 -4.329 13 HA LYS 2 HA LYS 2 1.705 5.325 -5.069 14 HB2 LYS 2 1HB LYS 2 -0.061 5.507 -3.323 15 HB3 LYS 2 2HB LYS 2 0.855 4.421 -2.289 16 HG2 LYS 2 1HG LYS 2 2.692 6.047 -2.171 17 HG3 LYS 2 2HG LYS 2 1.807 7.135 -3.250 18 HD2 LYS 2 1HD LYS 2 -0.024 7.296 -1.604 19 HD3 LYS 2 2HD LYS 2 0.834 6.181 -0.531 20 HE2 LYS 2 1HE LYS 2 2.706 7.778 -0.353 21 HE3 LYS 2 2HE LYS 2 1.877 8.887 -1.447 22 HZ1 LYS 2 1HZ LYS 2 1.545 9.490 0.836 23 HZ2 LYS 2 2HZ LYS 2 0.104 9.057 0.161 24 HZ3 LYS 2 3HZ LYS 2 0.880 8.023 1.185 25 HA PRO 3 HA PRO 3 5.550 3.352 -4.376 26 HB2 PRO 3 1HB PRO 3 7.174 5.535 -4.715 27 HB3 PRO 3 2HB PRO 3 6.353 4.757 -6.073 28 HG2 PRO 3 1HG PRO 3 5.505 7.219 -4.485 29 HG3 PRO 3 2HG PRO 3 5.586 7.025 -6.239 30 HD2 PRO 3 1HD PRO 3 3.236 6.726 -4.899 31 HD3 PRO 3 2HD PRO 3 3.633 5.704 -6.338 32 H HIS 4 H HIS 4 7.254 3.347 -2.785 33 HA HIS 4 HA HIS 4 6.360 3.953 -0.148 34 HB2 HIS 4 1HB HIS 4 8.528 3.221 0.596 35 HB3 HIS 4 2HB HIS 4 8.027 2.182 -0.732 36 HD2 HIS 4 HD2 HIS 4 9.804 2.054 -2.825 37 HE1 HIS 4 HE1 HIS 4 12.328 5.252 -1.573 38 HA PRO 5 HA PRO 5 7.387 8.160 0.009 39 HB2 PRO 5 1HB PRO 5 6.674 8.682 2.592 40 HB3 PRO 5 2HB PRO 5 5.467 8.289 1.360 41 HG2 PRO 5 1HG PRO 5 6.750 6.457 3.431 42 HG3 PRO 5 2HG PRO 5 5.038 6.625 3.031 43 HD2 PRO 5 1HD PRO 5 6.577 4.628 1.966 44 HD3 PRO 5 2HD PRO 5 5.223 5.390 1.040 45 H TRP 6 H TRP 6 9.714 7.172 -0.189 46 HA TRP 6 HA TRP 6 11.259 8.411 1.994 47 HB2 TRP 6 1HB TRP 6 11.163 6.094 2.742 48 HB3 TRP 6 2HB TRP 6 11.627 5.512 1.150 49 HD1 TRP 6 HD1 TRP 6 14.168 5.232 0.685 50 HE1 TRP 6 HE1 TRP 6 16.339 5.761 1.987 51 HE3 TRP 6 HE3 TRP 6 12.142 7.988 4.507 52 HZ2 TRP 6 HZ2 TRP 6 17.067 7.169 4.323 53 HZ3 TRP 6 HZ3 TRP 6 13.631 8.897 6.245 54 HH2 TRP 6 HH2 TRP 6 16.057 8.499 6.159 55 H PHE 7 H PHE 7 13.328 9.074 1.404 56 HA PHE 7 HA PHE 7 14.872 9.954 -0.059 57 HB2 PHE 7 1HB PHE 7 15.126 7.436 -0.543 58 HB3 PHE 7 2HB PHE 7 14.149 7.715 -1.975 59 HD1 PHE 7 HD1 PHE 7 16.882 9.730 -0.402 60 HD2 PHE 7 HD2 PHE 7 15.506 7.576 -3.825 61 HE1 PHE 7 HE1 PHE 7 18.903 10.420 -1.647 62 HE2 PHE 7 HE2 PHE 7 17.527 8.262 -5.073 63 HZ PHE 7 HZ PHE 7 19.225 9.687 -3.983 64 H PHE 8 H PHE 8 14.130 9.069 -3.095 65 HA PHE 8 HA PHE 8 12.349 11.415 -3.536 66 HB2 PHE 8 1HB PHE 8 14.216 9.870 -5.361 67 HB3 PHE 8 2HB PHE 8 13.003 10.972 -5.992 68 HD1 PHE 8 HD1 PHE 8 16.063 10.724 -3.947 69 HD2 PHE 8 HD2 PHE 8 13.279 13.337 -5.864 70 HE1 PHE 8 HE1 PHE 8 17.616 12.619 -3.616 71 HE2 PHE 8 HE2 PHE 8 14.831 15.234 -5.538 72 HZ PHE 8 HZ PHE 8 17.000 14.874 -4.412 73 H GLY 9 H GLY 9 12.051 8.221 -2.949 74 HA2 GLY 9 1HA GLY 9 10.492 6.585 -3.473 75 HA3 GLY 9 2HA GLY 9 9.400 7.911 -3.827 76 H LYS 10 H LYS 10 8.527 7.763 -5.785 77 HA LYS 10 HA LYS 10 9.781 6.141 -7.864 78 HB2 LYS 10 1HB LYS 10 7.371 6.042 -7.639 79 HB3 LYS 10 2HB LYS 10 7.227 7.788 -7.781 80 HG2 LYS 10 1HG LYS 10 7.983 7.680 -10.118 81 HG3 LYS 10 2HG LYS 10 8.171 5.926 -9.980 82 HD2 LYS 10 1HD LYS 10 6.050 6.337 -11.026 83 HD3 LYS 10 2HD LYS 10 5.722 5.788 -9.376 84 HE2 LYS 10 1HE LYS 10 5.308 8.059 -8.636 85 HE3 LYS 10 2HE LYS 10 5.830 8.713 -10.191 86 HZ1 LYS 10 1HZ LYS 10 3.453 8.623 -10.024 87 HZ2 LYS 10 2HZ LYS 10 3.965 7.604 -11.216 88 HZ3 LYS 10 3HZ LYS 10 3.477 6.995 -9.764 89 H ILE 11 H ILE 11 11.734 7.645 -7.726 90 HA ILE 11 HA ILE 11 11.489 10.172 -9.151 91 HB ILE 11 HB ILE 11 13.275 9.597 -7.397 92 HG12 ILE 11 1HG1 ILE 11 14.115 10.728 -10.076 93 HG13 ILE 11 2HG1 ILE 11 13.361 11.612 -8.758 94 HG21 ILE 11 1HG2 ILE 11 15.301 8.493 -8.255 95 HG22 ILE 11 2HG2 ILE 11 13.903 7.395 -8.311 96 HG23 ILE 11 3HG2 ILE 11 14.478 8.177 -9.802 97 HD11 ILE 11 1HD1 ILE 11 15.757 12.017 -8.828 98 HD12 ILE 11 2HD1 ILE 11 15.311 11.168 -7.329 99 HD13 ILE 11 3HD1 ILE 11 16.074 10.274 -8.665 100 HA PRO 12 HA PRO 12 12.009 8.493 -13.231 101 HB2 PRO 12 1HB PRO 12 12.379 10.830 -14.566 102 HB3 PRO 12 2HB PRO 12 10.790 10.385 -13.933 103 HG2 PRO 12 1HG PRO 12 12.894 12.213 -12.690 104 HG3 PRO 12 2HG PRO 12 11.176 12.538 -12.933 105 HD2 PRO 12 1HD PRO 12 12.139 11.638 -10.540 106 HD3 PRO 12 2HD PRO 12 10.504 11.160 -11.149 107 H ARG 13 H ARG 13 13.808 7.970 -14.460 108 HA ARG 13 HA ARG 13 16.425 8.283 -13.444 109 HB2 ARG 13 1HB ARG 13 15.408 7.696 -16.237 110 HB3 ARG 13 2HB ARG 13 17.119 7.715 -15.841 111 HG2 ARG 13 1HG ARG 13 16.883 5.865 -14.343 112 HG3 ARG 13 2HG ARG 13 15.107 5.939 -14.443 113 HD2 ARG 13 1HD ARG 13 15.964 4.147 -15.797 114 HD3 ARG 13 2HD ARG 13 15.239 5.407 -16.822 115 HE ARG 13 HE ARG 13 17.944 6.022 -16.649 116 HH11 ARG 13 1HH1 ARG 13 15.986 3.337 -17.791 117 HH12 ARG 13 2HH1 ARG 13 17.136 2.857 -19.018 118 HH21 ARG 13 1HH2 ARG 13 19.429 5.389 -18.247 119 HH22 ARG 13 2HH2 ARG 13 19.085 4.018 -19.277 120 H ALA 14 H ALA 14 14.589 10.258 -15.755 121 HA ALA 14 HA ALA 14 16.324 12.133 -16.652 122 HB1 ALA 14 1HB ALA 14 14.597 13.857 -16.250 123 HB2 ALA 14 2HB ALA 14 13.889 12.347 -16.873 124 HB3 ALA 14 3HB ALA 14 13.756 12.746 -15.144 125 H LYS 15 H LYS 15 15.124 12.070 -13.280 126 HA LYS 15 HA LYS 15 16.877 14.339 -12.624 127 HB2 LYS 15 1HB LYS 15 14.451 13.908 -11.756 128 HB3 LYS 15 2HB LYS 15 15.205 12.774 -10.645 129 HG2 LYS 15 1HG LYS 15 15.014 14.774 -9.435 130 HG3 LYS 15 2HG LYS 15 16.715 14.708 -9.918 131 HD2 LYS 15 1HD LYS 15 16.070 16.137 -11.934 132 HD3 LYS 15 2HD LYS 15 14.498 16.368 -11.155 133 HE2 LYS 15 1HE LYS 15 17.158 17.029 -9.844 134 HE3 LYS 15 2HE LYS 15 16.160 18.204 -10.705 135 HZ1 LYS 15 1HZ LYS 15 15.761 18.262 -8.354 136 HZ2 LYS 15 2HZ LYS 15 14.396 17.767 -9.138 137 HZ3 LYS 15 3HZ LYS 15 15.329 16.672 -8.333 138 H ALA 16 H ALA 16 16.591 10.885 -11.853 139 HA ALA 16 HA ALA 16 18.637 10.814 -9.882 140 HB1 ALA 16 1HB ALA 16 18.714 8.385 -10.345 141 HB2 ALA 16 2HB ALA 16 17.042 8.978 -10.207 142 HB3 ALA 16 3HB ALA 16 17.737 8.642 -11.809 143 H GLU 17 H GLU 17 18.768 10.295 -13.406 144 HA GLU 17 HA GLU 17 21.584 9.755 -13.481 145 HB2 GLU 17 1HB GLU 17 19.699 10.824 -15.620 146 HB3 GLU 17 2HB GLU 17 21.354 10.320 -15.925 147 HG2 GLU 17 1HG GLU 17 20.783 8.039 -15.141 148 HG3 GLU 17 2HG GLU 17 19.115 8.559 -14.906 149 H GLU 18 H GLU 18 19.679 12.739 -13.815 150 HA GLU 18 HA GLU 18 21.806 14.515 -14.376 151 HB2 GLU 18 1HB GLU 18 19.424 15.168 -14.450 152 HB3 GLU 18 2HB GLU 18 19.304 14.986 -12.706 153 HG2 GLU 18 1HG GLU 18 20.979 16.795 -12.427 154 HG3 GLU 18 2HG GLU 18 21.013 17.001 -14.177 155 H MET 19 H MET 19 20.540 13.375 -11.239 156 HA MET 19 HA MET 19 22.218 15.057 -9.653 157 HB2 MET 19 1HB MET 19 20.667 12.518 -9.123 158 HB3 MET 19 2HB MET 19 21.720 13.189 -7.885 159 HG2 MET 19 1HG MET 19 20.439 15.355 -8.089 160 HG3 MET 19 2HG MET 19 19.310 14.513 -9.154 161 HE1 MET 19 1HE MET 19 17.222 12.315 -6.924 162 HE2 MET 19 2HE MET 19 17.260 13.380 -8.351 163 HE3 MET 19 3HE MET 19 18.344 11.972 -8.263 164 H LEU 20 H LEU 20 22.685 11.845 -11.036 165 HA LEU 20 HA LEU 20 25.138 11.327 -9.584 166 HB2 LEU 20 1HB LEU 20 24.043 10.101 -12.141 167 HB3 LEU 20 2HB LEU 20 25.414 9.477 -11.218 168 HG LEU 20 HG LEU 20 22.551 9.647 -10.213 169 HD11 LEU 20 1HD1 LEU 20 22.594 7.203 -10.435 170 HD12 LEU 20 2HD1 LEU 20 22.828 8.011 -12.004 171 HD13 LEU 20 3HD1 LEU 20 24.219 7.297 -11.152 172 HD21 LEU 20 1HD2 LEU 20 23.427 8.298 -8.337 173 HD22 LEU 20 2HD2 LEU 20 25.066 8.407 -9.024 174 HD23 LEU 20 3HD2 LEU 20 24.251 9.874 -8.432 175 H SER 21 H SER 21 24.300 12.804 -12.674 176 HA SER 21 HA SER 21 27.056 12.896 -13.610 177 HB2 SER 21 1HB SER 21 26.185 14.160 -15.456 178 HB3 SER 21 2HB SER 21 25.057 12.858 -15.116 179 HG SER 21 HG SER 21 24.188 14.673 -13.630 180 H LYS 22 H LYS 22 25.020 14.885 -11.599 181 HA LYS 22 HA LYS 22 26.811 17.158 -11.557 182 HB2 LYS 22 1HB LYS 22 24.718 16.118 -9.617 183 HB3 LYS 22 2HB LYS 22 25.680 17.551 -9.283 184 HG2 LYS 22 1HG LYS 22 24.796 18.631 -11.315 185 HG3 LYS 22 2HG LYS 22 23.836 17.186 -11.662 186 HD2 LYS 22 1HD LYS 22 22.595 17.465 -9.569 187 HD3 LYS 22 2HD LYS 22 23.602 18.852 -9.130 188 HE2 LYS 22 1HE LYS 22 22.773 20.109 -11.060 189 HE3 LYS 22 2HE LYS 22 21.837 18.713 -11.602 190 HZ1 LYS 22 1HZ LYS 22 20.481 20.280 -10.421 191 HZ2 LYS 22 2HZ LYS 22 20.553 18.862 -9.581 192 HZ3 LYS 22 3HZ LYS 22 21.426 20.167 -9.075 193 H GLN 23 H GLN 23 26.532 14.172 -9.617 194 HA GLN 23 HA GLN 23 28.987 14.597 -8.181 195 HB2 GLN 23 1HB GLN 23 27.640 11.994 -9.006 196 HB3 GLN 23 2HB GLN 23 28.935 12.141 -7.826 197 HG2 GLN 23 1HG GLN 23 26.245 13.494 -7.547 198 HG3 GLN 23 2HG GLN 23 26.659 11.901 -6.852 199 HE21 GLN 23 1HE2 GLN 23 27.432 15.204 -4.789 200 HE22 GLN 23 2HE2 GLN 23 26.320 15.077 -6.111 201 H ARG 24 H ARG 24 31.069 14.058 -8.616 202 HA ARG 24 HA ARG 24 31.599 13.488 -11.502 203 HB2 ARG 24 1HB ARG 24 33.276 15.176 -9.616 204 HB3 ARG 24 2HB ARG 24 33.566 14.918 -11.329 205 HG2 ARG 24 1HG ARG 24 31.258 16.428 -10.089 206 HG3 ARG 24 2HG ARG 24 32.620 17.094 -11.020 207 HD2 ARG 24 1HD ARG 24 30.577 15.161 -12.085 208 HD3 ARG 24 2HD ARG 24 30.540 16.926 -12.307 209 HE ARG 24 HE ARG 24 33.045 16.094 -13.180 210 HH11 ARG 24 1HH1 ARG 24 29.692 15.474 -14.024 211 HH12 ARG 24 2HH1 ARG 24 30.043 15.168 -15.711 212 HH21 ARG 24 1HH2 ARG 24 33.487 15.694 -15.371 213 HH22 ARG 24 2HH2 ARG 24 32.190 15.293 -16.474 214 H HIS 25 H HIS 25 31.361 11.479 -9.437 215 HA HIS 25 HA HIS 25 34.028 10.273 -10.026 216 HB2 HIS 25 1HB HIS 25 34.215 9.260 -7.901 217 HB3 HIS 25 2HB HIS 25 33.812 10.938 -7.569 218 HD2 HIS 25 HD2 HIS 25 32.280 7.381 -7.121 219 HE1 HIS 25 HE1 HIS 25 29.635 10.218 -5.353 220 H ASP 26 H ASP 26 33.669 8.760 -11.472 221 HA ASP 26 HA ASP 26 31.312 7.319 -11.938 222 HB2 ASP 26 1HB ASP 26 34.229 6.549 -12.277 223 HB3 ASP 26 2HB ASP 26 32.921 5.485 -12.771 224 H GLY 27 H GLY 27 30.332 5.554 -11.123 225 HA2 GLY 27 1HA GLY 27 30.501 3.512 -9.690 226 HA3 GLY 27 2HA GLY 27 31.503 4.445 -8.595 227 H ALA 28 H ALA 28 29.789 6.885 -9.048 228 HA ALA 28 HA ALA 28 27.982 6.631 -6.902 229 HB1 ALA 28 1HB ALA 28 26.962 8.716 -7.754 230 HB2 ALA 28 2HB ALA 28 28.739 8.798 -7.767 231 HB3 ALA 28 3HB ALA 28 27.850 8.517 -9.281 232 H PHE 29 H PHE 29 25.765 6.376 -6.733 233 HA PHE 29 HA PHE 29 24.319 5.341 -9.089 234 HB2 PHE 29 1HB PHE 29 23.763 3.210 -8.022 235 HB3 PHE 29 2HB PHE 29 25.503 3.355 -8.211 236 HD1 PHE 29 HD1 PHE 29 22.778 2.926 -5.900 237 HD2 PHE 29 HD2 PHE 29 26.907 3.980 -6.214 238 HE1 PHE 29 HE1 PHE 29 23.075 2.474 -3.487 239 HE2 PHE 29 HE2 PHE 29 27.207 3.527 -3.802 240 HZ PHE 29 HZ PHE 29 25.290 2.776 -2.439 241 H LEU 30 H LEU 30 22.047 5.021 -8.712 242 HA LEU 30 HA LEU 30 21.043 6.214 -6.173 243 HB2 LEU 30 1HB LEU 30 21.029 7.843 -8.149 244 HB3 LEU 30 2HB LEU 30 19.813 6.793 -8.883 245 HG LEU 30 HG LEU 30 19.255 7.745 -6.110 246 HD11 LEU 30 1HD1 LEU 30 18.455 9.913 -6.938 247 HD12 LEU 30 2HD1 LEU 30 20.214 9.740 -7.143 248 HD13 LEU 30 3HD1 LEU 30 19.131 9.549 -8.543 249 HD21 LEU 30 1HD2 LEU 30 16.982 7.886 -7.070 250 HD22 LEU 30 2HD2 LEU 30 17.637 7.493 -8.678 251 HD23 LEU 30 3HD2 LEU 30 17.707 6.288 -7.370 252 H ILE 31 H ILE 31 19.535 5.050 -5.202 253 HA ILE 31 HA ILE 31 18.383 2.768 -6.731 254 HB ILE 31 HB ILE 31 18.840 3.213 -3.759 255 HG12 ILE 31 1HG1 ILE 31 19.736 0.870 -5.413 256 HG13 ILE 31 2HG1 ILE 31 20.650 2.370 -5.427 257 HG21 ILE 31 1HG2 ILE 31 17.768 1.025 -3.404 258 HG22 ILE 31 2HG2 ILE 31 16.615 2.200 -4.079 259 HG23 ILE 31 3HG2 ILE 31 17.333 0.955 -5.128 260 HD11 ILE 31 1HD1 ILE 31 21.560 0.805 -3.805 261 HD12 ILE 31 2HD1 ILE 31 20.913 2.247 -2.987 262 HD13 ILE 31 3HD1 ILE 31 19.990 0.726 -2.973 263 H ARG 32 H ARG 32 16.288 2.637 -7.160 264 HA ARG 32 HA ARG 32 14.403 4.407 -5.709 265 HB2 ARG 32 1HB ARG 32 13.595 5.490 -7.654 266 HB3 ARG 32 2HB ARG 32 15.344 5.631 -7.729 267 HG2 ARG 32 1HG ARG 32 15.250 3.534 -9.239 268 HG3 ARG 32 2HG ARG 32 13.518 3.913 -9.387 269 HD2 ARG 32 1HD ARG 32 14.037 6.106 -10.219 270 HD3 ARG 32 2HD ARG 32 15.776 5.810 -9.987 271 HE ARG 32 HE ARG 32 15.813 4.595 -11.929 272 HH11 ARG 32 1HH1 ARG 32 12.477 5.020 -10.914 273 HH12 ARG 32 2HH1 ARG 32 11.812 4.365 -12.394 274 HH21 ARG 32 1HH2 ARG 32 14.939 3.747 -13.844 275 HH22 ARG 32 2HH2 ARG 32 13.205 3.644 -14.053 276 H GLU 33 H GLU 33 12.132 3.985 -6.303 277 HA GLU 33 HA GLU 33 11.679 1.111 -6.441 278 HB2 GLU 33 1HB GLU 33 10.336 2.673 -5.000 279 HB3 GLU 33 2HB GLU 33 9.658 3.388 -6.456 280 HG2 GLU 33 1HG GLU 33 8.478 1.425 -7.014 281 HG3 GLU 33 2HG GLU 33 9.415 0.439 -5.893 282 H SER 34 H SER 34 10.839 -0.099 -8.048 283 HA SER 34 HA SER 34 11.109 1.067 -10.732 284 HB2 SER 34 1HB SER 34 12.117 -1.103 -10.295 285 HB3 SER 34 2HB SER 34 10.578 -1.759 -9.762 286 HG SER 34 HG SER 34 11.512 -1.822 -12.119 287 H GLU 35 H GLU 35 9.494 1.913 -11.822 288 HA GLU 35 HA GLU 35 6.823 1.922 -10.815 289 HB2 GLU 35 1HB GLU 35 7.916 2.655 -13.560 290 HB3 GLU 35 2HB GLU 35 6.268 2.971 -13.039 291 HG2 GLU 35 1HG GLU 35 7.155 4.375 -11.190 292 HG3 GLU 35 2HG GLU 35 8.784 4.107 -11.803 293 H SER 36 H SER 36 8.484 -0.122 -13.139 294 HA SER 36 HA SER 36 6.019 -1.264 -14.201 295 HB2 SER 36 1HB SER 36 7.469 -2.705 -15.477 296 HB3 SER 36 2HB SER 36 8.124 -1.076 -15.521 297 HG SER 36 HG SER 36 8.951 -2.683 -13.449 298 H ALA 37 H ALA 37 7.744 -1.655 -11.342 299 HA ALA 37 HA ALA 37 6.213 -4.061 -10.687 300 HB1 ALA 37 1HB ALA 37 8.193 -5.369 -9.988 301 HB2 ALA 37 2HB ALA 37 8.200 -5.046 -11.739 302 HB3 ALA 37 3HB ALA 37 9.253 -4.106 -10.656 303 HA PRO 38 HA PRO 38 6.793 -0.793 -7.472 304 HB2 PRO 38 1HB PRO 38 4.020 -1.929 -6.906 305 HB3 PRO 38 2HB PRO 38 4.580 -0.258 -6.770 306 HG2 PRO 38 1HG PRO 38 3.166 -0.930 -8.916 307 HG3 PRO 38 2HG PRO 38 4.602 0.075 -9.130 308 HD2 PRO 38 1HD PRO 38 4.259 -2.908 -9.605 309 HD3 PRO 38 2HD PRO 38 5.164 -1.690 -10.591 310 H GLY 39 H GLY 39 7.429 -1.143 -5.363 311 HA2 GLY 39 1HA GLY 39 7.652 -2.436 -3.346 312 HA3 GLY 39 2HA GLY 39 7.057 -3.852 -4.192 313 H ASP 40 H ASP 40 8.757 -3.448 -6.553 314 HA ASP 40 HA ASP 40 11.346 -4.329 -5.401 315 HB2 ASP 40 1HB ASP 40 10.210 -4.458 -8.221 316 HB3 ASP 40 2HB ASP 40 11.851 -4.939 -7.812 317 H PHE 41 H PHE 41 13.356 -3.550 -6.332 318 HA PHE 41 HA PHE 41 13.108 -0.608 -6.790 319 HB2 PHE 41 1HB PHE 41 15.207 -2.247 -5.328 320 HB3 PHE 41 2HB PHE 41 15.464 -0.570 -5.785 321 HD1 PHE 41 HD1 PHE 41 12.130 -0.508 -5.236 322 HD2 PHE 41 HD2 PHE 41 15.747 -1.111 -3.045 323 HE1 PHE 41 HE1 PHE 41 10.997 0.230 -3.166 324 HE2 PHE 41 HE2 PHE 41 14.617 -0.377 -0.972 325 HZ PHE 41 HZ PHE 41 12.241 0.296 -1.034 326 H SER 42 H SER 42 14.539 0.429 -8.231 327 HA SER 42 HA SER 42 16.307 -1.400 -9.802 328 HB2 SER 42 1HB SER 42 15.152 1.317 -10.504 329 HB3 SER 42 2HB SER 42 16.375 0.494 -11.461 330 HG SER 42 HG SER 42 14.858 -0.564 -12.312 331 H LEU 43 H LEU 43 18.439 -0.723 -10.267 332 HA LEU 43 HA LEU 43 19.456 1.412 -8.440 333 HB2 LEU 43 1HB LEU 43 20.020 -1.096 -7.937 334 HB3 LEU 43 2HB LEU 43 21.127 -0.947 -9.306 335 HG LEU 43 HG LEU 43 21.334 1.123 -7.159 336 HD11 LEU 43 1HD1 LEU 43 22.704 -0.372 -5.775 337 HD12 LEU 43 2HD1 LEU 43 21.018 -0.931 -5.877 338 HD13 LEU 43 3HD1 LEU 43 22.284 -1.738 -6.834 339 HD21 LEU 43 1HD2 LEU 43 23.728 0.851 -7.713 340 HD22 LEU 43 2HD2 LEU 43 23.324 -0.499 -8.801 341 HD23 LEU 43 3HD2 LEU 43 22.762 1.147 -9.178 342 H SER 44 H SER 44 20.064 3.107 -9.575 343 HA SER 44 HA SER 44 21.056 2.674 -12.347 344 HB2 SER 44 1HB SER 44 19.981 5.135 -10.934 345 HB3 SER 44 2HB SER 44 20.650 5.153 -12.558 346 HG SER 44 HG SER 44 19.102 3.486 -13.037 347 H VAL 45 H VAL 45 23.178 2.585 -12.585 348 HA VAL 45 HA VAL 45 24.840 3.931 -10.500 349 HB VAL 45 HB VAL 45 24.957 1.455 -10.489 350 HG11 VAL 45 1HG1 VAL 45 25.930 0.250 -12.382 351 HG12 VAL 45 2HG1 VAL 45 24.397 1.042 -12.815 352 HG13 VAL 45 3HG1 VAL 45 25.945 1.753 -13.332 353 HG21 VAL 45 1HG2 VAL 45 27.417 1.262 -10.672 354 HG22 VAL 45 2HG2 VAL 45 27.469 2.800 -11.566 355 HG23 VAL 45 3HG2 VAL 45 26.949 2.776 -9.864 356 H LYS 46 H LYS 46 26.074 5.558 -11.115 357 HA LYS 46 HA LYS 46 26.362 6.100 -14.000 358 HB2 LYS 46 1HB LYS 46 25.659 7.951 -12.568 359 HB3 LYS 46 2HB LYS 46 27.062 7.735 -11.531 360 HG2 LYS 46 1HG LYS 46 27.754 8.175 -14.358 361 HG3 LYS 46 2HG LYS 46 26.867 9.512 -13.613 362 HD2 LYS 46 1HD LYS 46 28.650 8.946 -11.628 363 HD3 LYS 46 2HD LYS 46 29.599 8.490 -13.052 364 HE2 LYS 46 1HE LYS 46 29.445 10.668 -13.990 365 HE3 LYS 46 2HE LYS 46 28.132 11.135 -12.905 366 HZ1 LYS 46 1HZ LYS 46 30.214 12.089 -12.234 367 HZ2 LYS 46 2HZ LYS 46 29.685 11.036 -11.077 368 HZ3 LYS 46 3HZ LYS 46 30.911 10.602 -12.091 369 H PHE 47 H PHE 47 27.799 4.366 -14.489 370 HA PHE 47 HA PHE 47 30.601 4.954 -13.629 371 HB2 PHE 47 1HB PHE 47 29.524 2.600 -13.281 372 HB3 PHE 47 2HB PHE 47 29.714 2.414 -15.017 373 HD1 PHE 47 HD1 PHE 47 31.791 1.855 -15.964 374 HD2 PHE 47 HD2 PHE 47 31.575 3.060 -11.872 375 HE1 PHE 47 HE1 PHE 47 34.137 1.148 -15.634 376 HE2 PHE 47 HE2 PHE 47 33.921 2.358 -11.538 377 HZ PHE 47 HZ PHE 47 35.201 1.400 -13.420 378 H GLY 48 H GLY 48 32.106 5.517 -15.077 379 HA2 GLY 48 1HA GLY 48 33.115 5.915 -17.140 380 HA3 GLY 48 2HA GLY 48 31.878 4.935 -17.906 381 H ASN 49 H ASN 49 31.302 7.762 -15.838 382 HA ASN 49 HA ASN 49 30.089 9.681 -16.226 383 HB2 ASN 49 1HB ASN 49 32.197 9.957 -17.743 384 HB3 ASN 49 2HB ASN 49 31.084 9.666 -19.073 385 HD21 ASN 49 1HD2 ASN 49 30.526 13.091 -19.156 386 HD22 ASN 49 2HD2 ASN 49 31.129 11.676 -19.953 387 H ASP 50 H ASP 50 28.876 7.066 -16.790 388 HA ASP 50 HA ASP 50 26.442 8.232 -17.915 389 HB2 ASP 50 1HB ASP 50 27.882 7.202 -19.856 390 HB3 ASP 50 2HB ASP 50 27.373 5.655 -19.193 391 H VAL 51 H VAL 51 24.580 6.700 -17.760 392 HA VAL 51 HA VAL 51 24.934 5.316 -15.138 393 HB VAL 51 HB VAL 51 22.473 6.689 -16.304 394 HG11 VAL 51 1HG1 VAL 51 21.481 6.341 -14.094 395 HG12 VAL 51 2HG1 VAL 51 21.868 4.803 -14.902 396 HG13 VAL 51 3HG1 VAL 51 22.916 5.412 -13.598 397 HG21 VAL 51 1HG2 VAL 51 22.873 8.352 -14.515 398 HG22 VAL 51 2HG2 VAL 51 24.351 7.483 -14.040 399 HG23 VAL 51 3HG2 VAL 51 24.253 8.267 -15.634 400 H GLN 52 H GLN 52 24.721 3.194 -15.148 401 HA GLN 52 HA GLN 52 22.975 1.953 -17.223 402 HB2 GLN 52 1HB GLN 52 25.385 1.200 -17.049 403 HB3 GLN 52 2HB GLN 52 25.032 0.599 -15.434 404 HG2 GLN 52 1HG GLN 52 23.489 -1.020 -16.282 405 HG3 GLN 52 2HG GLN 52 23.576 -0.315 -17.921 406 HE21 GLN 52 1HE2 GLN 52 25.748 -3.396 -17.554 407 HE22 GLN 52 2HE2 GLN 52 24.102 -3.064 -17.127 408 H HIS 53 H HIS 53 21.512 0.291 -16.646 409 HA HIS 53 HA HIS 53 20.346 0.862 -13.949 410 HB2 HIS 53 1HB HIS 53 18.860 1.578 -15.692 411 HB3 HIS 53 2HB HIS 53 19.078 0.084 -16.592 412 HD2 HIS 53 HD2 HIS 53 16.463 1.545 -14.184 413 HE1 HIS 53 HE1 HIS 53 16.194 -2.685 -13.894 414 H PHE 54 H PHE 54 20.488 -0.657 -12.482 415 HA PHE 54 HA PHE 54 20.467 -3.498 -13.393 416 HB2 PHE 54 1HB PHE 54 21.165 -2.418 -10.636 417 HB3 PHE 54 2HB PHE 54 21.369 -4.068 -11.207 418 HD1 PHE 54 HD1 PHE 54 22.344 -3.009 -14.047 419 HD2 PHE 54 HD2 PHE 54 23.511 -2.305 -9.999 420 HE1 PHE 54 HE1 PHE 54 24.634 -2.466 -14.805 421 HE2 PHE 54 HE2 PHE 54 25.801 -1.759 -10.752 422 HZ PHE 54 HZ PHE 54 26.364 -1.841 -13.156 423 H LYS 55 H LYS 55 19.091 -5.011 -12.395 424 HA LYS 55 HA LYS 55 16.642 -3.834 -11.213 425 HB2 LYS 55 1HB LYS 55 15.677 -6.079 -11.502 426 HB3 LYS 55 2HB LYS 55 16.352 -5.485 -13.012 427 HG2 LYS 55 1HG LYS 55 18.465 -6.841 -12.376 428 HG3 LYS 55 2HG LYS 55 17.415 -7.642 -11.199 429 HD2 LYS 55 1HD LYS 55 15.797 -8.040 -13.170 430 HD3 LYS 55 2HD LYS 55 17.150 -7.583 -14.215 431 HE2 LYS 55 1HE LYS 55 18.532 -9.373 -13.202 432 HE3 LYS 55 2HE LYS 55 17.175 -9.835 -12.171 433 HZ1 LYS 55 1HZ LYS 55 17.322 -11.219 -14.108 434 HZ2 LYS 55 2HZ LYS 55 15.921 -10.349 -14.151 435 HZ3 LYS 55 3HZ LYS 55 17.189 -9.919 -15.114 436 H VAL 56 H VAL 56 16.125 -3.915 -9.142 437 HA VAL 56 HA VAL 56 17.667 -5.804 -7.410 438 HB VAL 56 HB VAL 56 16.472 -3.094 -6.680 439 HG11 VAL 56 1HG1 VAL 56 17.522 -3.436 -4.497 440 HG12 VAL 56 2HG1 VAL 56 16.284 -4.668 -4.841 441 HG13 VAL 56 3HG1 VAL 56 18.011 -5.075 -4.990 442 HG21 VAL 56 1HG2 VAL 56 18.835 -2.439 -6.351 443 HG22 VAL 56 2HG2 VAL 56 19.357 -4.047 -6.906 444 HG23 VAL 56 3HG2 VAL 56 18.534 -2.940 -8.032 445 H LEU 57 H LEU 57 16.396 -7.504 -6.977 446 HA LEU 57 HA LEU 57 13.451 -7.010 -6.988 447 HB2 LEU 57 1HB LEU 57 14.923 -9.578 -7.666 448 HB3 LEU 57 2HB LEU 57 13.197 -9.260 -7.861 449 HG LEU 57 HG LEU 57 15.426 -7.900 -9.418 450 HD11 LEU 57 1HD1 LEU 57 14.584 -9.237 -11.297 451 HD12 LEU 57 2HD1 LEU 57 15.184 -10.266 -9.975 452 HD13 LEU 57 3HD1 LEU 57 13.434 -10.046 -10.206 453 HD21 LEU 57 1HD2 LEU 57 13.558 -7.008 -10.769 454 HD22 LEU 57 2HD2 LEU 57 12.392 -7.785 -9.671 455 HD23 LEU 57 3HD2 LEU 57 13.437 -6.472 -9.076 456 H ARG 58 H ARG 58 12.133 -7.940 -5.477 457 HA ARG 58 HA ARG 58 13.365 -8.728 -2.964 458 HB2 ARG 58 1HB ARG 58 10.482 -8.678 -3.910 459 HB3 ARG 58 2HB ARG 58 10.962 -9.152 -2.287 460 HG2 ARG 58 1HG ARG 58 11.831 -6.950 -1.827 461 HG3 ARG 58 2HG ARG 58 11.564 -6.450 -3.515 462 HD2 ARG 58 1HD ARG 58 9.410 -7.328 -1.607 463 HD3 ARG 58 2HD ARG 58 9.843 -5.641 -1.969 464 HE ARG 58 HE ARG 58 9.368 -6.721 -4.433 465 HH11 ARG 58 1HH1 ARG 58 7.537 -6.577 -1.439 466 HH12 ARG 58 2HH1 ARG 58 5.983 -6.573 -2.243 467 HH21 ARG 58 1HH2 ARG 58 7.346 -6.715 -5.465 468 HH22 ARG 58 2HH2 ARG 58 5.874 -6.650 -4.522 469 H ASP 59 H ASP 59 13.580 -10.710 -2.066 470 HA ASP 59 HA ASP 59 12.881 -13.061 -3.715 471 HB2 ASP 59 1HB ASP 59 14.155 -14.351 -2.105 472 HB3 ASP 59 2HB ASP 59 15.097 -12.942 -2.571 473 H GLY 60 H GLY 60 12.391 -14.956 -1.785 474 HA2 GLY 60 1HA GLY 60 9.549 -14.637 -1.550 475 HA3 GLY 60 2HA GLY 60 10.498 -15.952 -0.882 476 H ALA 61 H ALA 61 12.163 -13.631 0.436 477 HA ALA 61 HA ALA 61 10.594 -13.670 2.921 478 HB1 ALA 61 1HB ALA 61 12.621 -12.675 3.931 479 HB2 ALA 61 2HB ALA 61 12.997 -14.156 3.020 480 HB3 ALA 61 3HB ALA 61 13.360 -12.563 2.317 481 H GLY 62 H GLY 62 10.731 -11.704 0.235 482 HA2 GLY 62 1HA GLY 62 9.925 -9.522 -0.103 483 HA3 GLY 62 2HA GLY 62 9.682 -9.347 1.625 484 H LYS 63 H LYS 63 12.766 -10.561 0.664 485 HA LYS 63 HA LYS 63 13.963 -7.937 1.423 486 HB2 LYS 63 1HB LYS 63 14.907 -10.799 1.719 487 HB3 LYS 63 2HB LYS 63 16.044 -9.461 1.790 488 HG2 LYS 63 1HG LYS 63 14.592 -8.481 3.642 489 HG3 LYS 63 2HG LYS 63 13.737 -10.029 3.658 490 HD2 LYS 63 1HD LYS 63 16.753 -9.891 3.888 491 HD3 LYS 63 2HD LYS 63 15.706 -9.712 5.305 492 HE2 LYS 63 1HE LYS 63 14.654 -11.909 4.770 493 HE3 LYS 63 2HE LYS 63 15.769 -12.092 3.413 494 HZ1 LYS 63 1HZ LYS 63 16.545 -13.240 5.354 495 HZ2 LYS 63 2HZ LYS 63 17.589 -12.021 4.975 496 HZ3 LYS 63 3HZ LYS 63 16.548 -11.852 6.242 497 H TYR 64 H TYR 64 15.799 -7.139 0.313 498 HA TYR 64 HA TYR 64 15.238 -7.519 -2.554 499 HB2 TYR 64 1HB TYR 64 16.783 -5.390 -1.024 500 HB3 TYR 64 2HB TYR 64 16.616 -5.405 -2.775 501 HD1 TYR 64 HD1 TYR 64 14.867 -4.928 0.424 502 HD2 TYR 64 HD2 TYR 64 14.524 -4.853 -3.852 503 HE1 TYR 64 HE1 TYR 64 12.724 -3.712 0.617 504 HE2 TYR 64 HE2 TYR 64 12.381 -3.637 -3.659 505 HH TYR 64 HH TYR 64 10.724 -3.047 -2.213 506 H PHE 65 H PHE 65 16.608 -8.241 -4.075 507 HA PHE 65 HA PHE 65 19.503 -8.158 -3.463 508 HB2 PHE 65 1HB PHE 65 19.925 -10.403 -4.215 509 HB3 PHE 65 2HB PHE 65 18.699 -10.490 -2.960 510 HD1 PHE 65 HD1 PHE 65 19.427 -10.971 -6.500 511 HD2 PHE 65 HD2 PHE 65 16.369 -11.013 -3.516 512 HE1 PHE 65 HE1 PHE 65 17.949 -12.225 -8.034 513 HE2 PHE 65 HE2 PHE 65 14.888 -12.268 -5.047 514 HZ PHE 65 HZ PHE 65 15.679 -12.872 -7.308 515 H LEU 66 H LEU 66 20.847 -8.409 -5.411 516 HA LEU 66 HA LEU 66 19.474 -6.935 -7.602 517 HB2 LEU 66 1HB LEU 66 21.509 -6.013 -6.259 518 HB3 LEU 66 2HB LEU 66 22.465 -7.139 -7.227 519 HG LEU 66 HG LEU 66 20.642 -5.267 -8.688 520 HD11 LEU 66 1HD1 LEU 66 22.320 -3.480 -8.573 521 HD12 LEU 66 2HD1 LEU 66 21.628 -3.835 -6.973 522 HD13 LEU 66 3HD1 LEU 66 23.252 -4.430 -7.392 523 HD21 LEU 66 1HD2 LEU 66 22.543 -5.318 -10.268 524 HD22 LEU 66 2HD2 LEU 66 23.478 -6.296 -9.111 525 HD23 LEU 66 3HD2 LEU 66 22.007 -6.965 -9.857 526 H TRP 67 H TRP 67 22.401 -8.988 -7.439 527 HA TRP 67 HA TRP 67 21.517 -10.256 -9.984 528 HB2 TRP 67 1HB TRP 67 24.228 -10.060 -8.625 529 HB3 TRP 67 2HB TRP 67 23.929 -11.099 -10.011 530 HD1 TRP 67 HD1 TRP 67 25.502 -7.994 -9.447 531 HE1 TRP 67 HE1 TRP 67 25.325 -6.354 -11.439 532 HE3 TRP 67 HE3 TRP 67 21.648 -10.241 -11.976 533 HZ2 TRP 67 HZ2 TRP 67 23.751 -6.077 -13.766 534 HZ3 TRP 67 HZ3 TRP 67 20.853 -9.236 -14.080 535 HH2 TRP 67 HH2 TRP 67 21.885 -7.188 -14.967 536 H VAL 68 H VAL 68 23.755 -11.604 -7.605 537 HA VAL 68 HA VAL 68 21.842 -13.841 -7.145 538 HB VAL 68 HB VAL 68 23.683 -15.470 -7.499 539 HG11 VAL 68 1HG1 VAL 68 23.762 -15.339 -9.940 540 HG12 VAL 68 2HG1 VAL 68 22.131 -15.014 -9.308 541 HG13 VAL 68 3HG1 VAL 68 23.153 -13.669 -9.870 542 HG21 VAL 68 1HG2 VAL 68 25.761 -14.715 -8.609 543 HG22 VAL 68 2HG2 VAL 68 25.209 -13.027 -8.491 544 HG23 VAL 68 3HG2 VAL 68 25.571 -13.951 -7.014 545 H VAL 69 H VAL 69 24.825 -12.154 -6.210 546 HA VAL 69 HA VAL 69 25.132 -13.352 -3.644 547 HB VAL 69 HB VAL 69 26.784 -11.827 -4.822 548 HG11 VAL 69 1HG1 VAL 69 26.533 -9.411 -4.528 549 HG12 VAL 69 2HG1 VAL 69 25.234 -10.099 -5.530 550 HG13 VAL 69 3HG1 VAL 69 24.914 -9.666 -3.833 551 HG21 VAL 69 1HG2 VAL 69 27.567 -10.771 -2.727 552 HG22 VAL 69 2HG2 VAL 69 25.980 -11.073 -1.983 553 HG23 VAL 69 3HG2 VAL 69 27.023 -12.440 -2.440 554 H LYS 70 H LYS 70 24.284 -12.946 -1.666 555 HA LYS 70 HA LYS 70 22.102 -10.919 -1.521 556 HB2 LYS 70 1HB LYS 70 21.522 -13.556 -1.852 557 HB3 LYS 70 2HB LYS 70 21.661 -13.504 -0.100 558 HG2 LYS 70 1HG LYS 70 19.976 -11.430 -1.462 559 HG3 LYS 70 2HG LYS 70 19.358 -13.081 -1.311 560 HD2 LYS 70 1HD LYS 70 19.336 -13.004 1.028 561 HD3 LYS 70 2HD LYS 70 20.529 -11.700 1.099 562 HE2 LYS 70 1HE LYS 70 18.390 -10.766 1.679 563 HE3 LYS 70 2HE LYS 70 18.820 -10.162 0.077 564 HZ1 LYS 70 1HZ LYS 70 16.546 -10.874 0.170 565 HZ2 LYS 70 2HZ LYS 70 17.387 -11.834 -0.875 566 HZ3 LYS 70 3HZ LYS 70 16.984 -12.399 0.622 567 H PHE 71 H PHE 71 22.351 -9.596 0.127 568 HA PHE 71 HA PHE 71 23.477 -10.754 2.645 569 HB2 PHE 71 1HB PHE 71 23.604 -7.906 1.584 570 HB3 PHE 71 2HB PHE 71 24.008 -8.339 3.239 571 HD1 PHE 71 HD1 PHE 71 24.956 -8.856 -0.304 572 HD2 PHE 71 HD2 PHE 71 26.105 -9.280 3.789 573 HE1 PHE 71 HE1 PHE 71 27.265 -9.386 -1.009 574 HE2 PHE 71 HE2 PHE 71 28.417 -9.807 3.088 575 HZ PHE 71 HZ PHE 71 28.996 -9.861 0.688 576 H ASN 72 H ASN 72 22.743 -9.115 4.539 577 HA ASN 72 HA ASN 72 20.012 -9.874 4.916 578 HB2 ASN 72 1HB ASN 72 21.867 -8.038 6.451 579 HB3 ASN 72 2HB ASN 72 20.213 -8.347 6.962 580 HD21 ASN 72 1HD2 ASN 72 22.560 -10.695 8.656 581 HD22 ASN 72 2HD2 ASN 72 22.469 -8.973 8.491 582 H SER 73 H SER 73 21.460 -7.080 3.500 583 HA SER 73 HA SER 73 18.766 -6.044 2.913 584 HB2 SER 73 1HB SER 73 19.180 -3.827 3.734 585 HB3 SER 73 2HB SER 73 19.452 -4.951 5.056 586 HG SER 73 HG SER 73 21.425 -4.405 5.116 587 H LEU 74 H LEU 74 18.711 -4.544 1.172 588 HA LEU 74 HA LEU 74 20.561 -4.784 -0.913 589 HB2 LEU 74 1HB LEU 74 18.359 -3.769 -1.199 590 HB3 LEU 74 2HB LEU 74 18.814 -2.413 -0.163 591 HG LEU 74 HG LEU 74 20.497 -1.710 -1.851 592 HD11 LEU 74 1HD1 LEU 74 20.472 -2.764 -4.068 593 HD12 LEU 74 2HD1 LEU 74 20.967 -3.910 -2.800 594 HD13 LEU 74 3HD1 LEU 74 19.321 -3.985 -3.474 595 HD21 LEU 74 1HD2 LEU 74 18.848 -0.930 -3.518 596 HD22 LEU 74 2HD2 LEU 74 17.673 -2.125 -2.917 597 HD23 LEU 74 3HD2 LEU 74 18.201 -0.791 -1.865 598 H ASN 75 H ASN 75 20.541 -2.493 1.804 599 HA ASN 75 HA ASN 75 22.606 -0.791 0.868 600 HB2 ASN 75 1HB ASN 75 21.697 -1.524 3.662 601 HB3 ASN 75 2HB ASN 75 22.957 -0.336 3.360 602 HD21 ASN 75 1HD2 ASN 75 19.658 1.355 3.681 603 HD22 ASN 75 2HD2 ASN 75 20.575 0.263 4.665 604 H GLU 76 H GLU 76 22.753 -3.887 2.551 605 HA GLU 76 HA GLU 76 25.588 -3.705 3.110 606 HB2 GLU 76 1HB GLU 76 23.593 -5.995 3.128 607 HB3 GLU 76 2HB GLU 76 25.299 -6.239 3.477 608 HG2 GLU 76 1HG GLU 76 25.104 -4.568 5.327 609 HG3 GLU 76 2HG GLU 76 23.371 -4.493 5.018 610 H LEU 77 H LEU 77 23.632 -4.967 0.457 611 HA LEU 77 HA LEU 77 25.860 -6.560 -0.585 612 HB2 LEU 77 1HB LEU 77 24.317 -7.517 -2.026 613 HB3 LEU 77 2HB LEU 77 23.302 -7.097 -0.643 614 HG LEU 77 HG LEU 77 22.768 -4.924 -1.969 615 HD11 LEU 77 1HD1 LEU 77 22.946 -5.179 -4.404 616 HD12 LEU 77 2HD1 LEU 77 24.546 -5.171 -3.625 617 HD13 LEU 77 3HD1 LEU 77 23.834 -6.704 -4.179 618 HD21 LEU 77 1HD2 LEU 77 20.970 -6.116 -3.174 619 HD22 LEU 77 2HD2 LEU 77 21.828 -7.656 -2.932 620 HD23 LEU 77 3HD2 LEU 77 21.182 -6.768 -1.532 621 H VAL 78 H VAL 78 24.476 -3.410 -1.085 622 HA VAL 78 HA VAL 78 25.923 -2.960 -3.590 623 HB VAL 78 HB VAL 78 25.174 -0.627 -3.337 624 HG11 VAL 78 1HG1 VAL 78 22.758 -1.010 -3.382 625 HG12 VAL 78 2HG1 VAL 78 23.643 -2.232 -4.323 626 HG13 VAL 78 3HG1 VAL 78 23.003 -2.638 -2.712 627 HG21 VAL 78 1HG2 VAL 78 23.803 0.021 -1.382 628 HG22 VAL 78 2HG2 VAL 78 24.088 -1.578 -0.653 629 HG23 VAL 78 3HG2 VAL 78 25.445 -0.450 -0.887 630 H ASP 79 H ASP 79 26.511 -2.622 -0.154 631 HA ASP 79 HA ASP 79 29.019 -1.213 -0.451 632 HB2 ASP 79 1HB ASP 79 27.689 -1.523 1.708 633 HB3 ASP 79 2HB ASP 79 28.268 -3.183 1.739 634 H TYR 80 H TYR 80 28.106 -4.666 -0.291 635 HA TYR 80 HA TYR 80 30.663 -5.750 -0.854 636 HB2 TYR 80 1HB TYR 80 28.789 -7.188 -0.277 637 HB3 TYR 80 2HB TYR 80 27.886 -6.666 -1.692 638 HD1 TYR 80 HD1 TYR 80 30.945 -8.488 -0.616 639 HD2 TYR 80 HD2 TYR 80 28.130 -7.742 -3.766 640 HE1 TYR 80 HE1 TYR 80 31.911 -10.351 -1.921 641 HE2 TYR 80 HE2 TYR 80 29.096 -9.605 -5.071 642 HH TYR 80 HH TYR 80 31.843 -11.491 -3.827 643 H HIS 81 H HIS 81 28.117 -4.632 -3.101 644 HA HIS 81 HA HIS 81 29.833 -5.047 -5.432 645 HB2 HIS 81 1HB HIS 81 27.099 -3.847 -4.977 646 HB3 HIS 81 2HB HIS 81 27.928 -3.616 -6.510 647 HD2 HIS 81 HD2 HIS 81 29.063 -6.985 -6.031 648 HE1 HIS 81 HE1 HIS 81 25.007 -7.568 -7.202 649 H ARG 82 H ARG 82 29.959 -2.821 -3.000 650 HA ARG 82 HA ARG 82 30.997 -0.665 -4.718 651 HB2 ARG 82 1HB ARG 82 29.878 -0.110 -2.590 652 HB3 ARG 82 2HB ARG 82 31.083 -1.031 -1.703 653 HG2 ARG 82 1HG ARG 82 32.821 0.524 -2.317 654 HG3 ARG 82 2HG ARG 82 31.708 1.400 -3.396 655 HD2 ARG 82 1HD ARG 82 31.922 2.604 -1.358 656 HD3 ARG 82 2HD ARG 82 30.294 1.893 -1.430 657 HE ARG 82 HE ARG 82 30.801 0.554 0.372 658 HH11 ARG 82 1HH1 ARG 82 33.731 2.083 -0.818 659 HH12 ARG 82 2HH1 ARG 82 34.693 1.600 0.561 660 HH21 ARG 82 1HH2 ARG 82 32.059 -0.068 2.157 661 HH22 ARG 82 2HH2 ARG 82 33.748 0.383 2.246 662 H SER 83 H SER 83 32.288 -2.970 -2.298 663 HA SER 83 HA SER 83 35.043 -2.355 -2.923 664 HB2 SER 83 1HB SER 83 33.763 -4.716 -1.509 665 HB3 SER 83 2HB SER 83 35.496 -4.452 -1.618 666 HG SER 83 HG SER 83 33.548 -3.074 -0.221 667 H THR 84 H THR 84 32.683 -4.703 -4.082 668 HA THR 84 HA THR 84 34.761 -5.732 -5.968 669 HB THR 84 HB THR 84 32.410 -7.245 -4.753 670 HG1 THR 84 HG1 THR 84 35.229 -7.306 -4.362 671 HG21 THR 84 1HG2 THR 84 33.327 -9.185 -5.964 672 HG22 THR 84 2HG2 THR 84 32.842 -7.899 -7.096 673 HG23 THR 84 3HG2 THR 84 34.561 -8.143 -6.708 674 H SER 85 H SER 85 34.264 -5.951 -8.092 675 HA SER 85 HA SER 85 32.338 -4.164 -9.162 676 HB2 SER 85 1HB SER 85 32.921 -5.077 -11.310 677 HB3 SER 85 2HB SER 85 34.382 -4.984 -10.337 678 HG SER 85 HG SER 85 33.294 -7.069 -11.492 679 H VAL 86 H VAL 86 30.439 -4.531 -10.374 680 HA VAL 86 HA VAL 86 28.703 -6.510 -9.143 681 HB VAL 86 HB VAL 86 26.955 -5.544 -10.572 682 HG11 VAL 86 1HG1 VAL 86 27.063 -3.225 -9.800 683 HG12 VAL 86 2HG1 VAL 86 27.536 -4.373 -8.526 684 HG13 VAL 86 3HG1 VAL 86 28.781 -3.441 -9.392 685 HG21 VAL 86 1HG2 VAL 86 27.515 -3.751 -12.183 686 HG22 VAL 86 2HG2 VAL 86 29.246 -3.992 -11.846 687 HG23 VAL 86 3HG2 VAL 86 28.302 -5.284 -12.626 688 H SER 87 H SER 87 30.895 -6.607 -11.705 689 HA SER 87 HA SER 87 29.748 -9.109 -12.732 690 HB2 SER 87 1HB SER 87 28.535 -7.571 -14.113 691 HB3 SER 87 2HB SER 87 29.967 -6.597 -14.411 692 HG SER 87 HG SER 87 29.098 -8.459 -15.879 693 H ARG 88 H ARG 88 31.198 -10.354 -13.941 694 HA ARG 88 HA ARG 88 34.001 -9.842 -13.425 695 HB2 ARG 88 1HB ARG 88 32.580 -11.917 -15.122 696 HB3 ARG 88 2HB ARG 88 34.323 -11.872 -14.903 697 HG2 ARG 88 1HG ARG 88 34.051 -12.214 -12.493 698 HG3 ARG 88 2HG ARG 88 32.283 -12.225 -12.693 699 HD2 ARG 88 1HD ARG 88 32.460 -14.162 -14.143 700 HD3 ARG 88 2HD ARG 88 34.227 -14.150 -13.946 701 HE ARG 88 HE ARG 88 33.129 -14.224 -11.380 702 HH11 ARG 88 1HH1 ARG 88 33.162 -16.236 -14.258 703 HH12 ARG 88 2HH1 ARG 88 33.004 -17.733 -13.365 704 HH21 ARG 88 1HH2 ARG 88 32.924 -16.172 -10.232 705 HH22 ARG 88 2HH2 ARG 88 32.869 -17.697 -11.086 706 H ASN 89 H ASN 89 31.798 -9.001 -15.943 707 HA ASN 89 HA ASN 89 34.072 -8.505 -17.817 708 HB2 ASN 89 1HB ASN 89 31.126 -8.967 -18.390 709 HB3 ASN 89 2HB ASN 89 32.326 -8.539 -19.603 710 HD21 ASN 89 1HD2 ASN 89 31.847 -12.345 -18.447 711 HD22 ASN 89 2HD2 ASN 89 30.818 -11.047 -17.940 712 H GLN 90 H GLN 90 31.287 -7.101 -16.210 713 HA GLN 90 HA GLN 90 31.958 -4.482 -17.477 714 HB2 GLN 90 1HB GLN 90 29.389 -5.306 -16.066 715 HB3 GLN 90 2HB GLN 90 29.685 -3.772 -16.870 716 HG2 GLN 90 1HG GLN 90 29.941 -4.968 -19.022 717 HG3 GLN 90 2HG GLN 90 29.542 -6.493 -18.181 718 HE21 GLN 90 1HE2 GLN 90 26.434 -5.314 -19.750 719 HE22 GLN 90 2HE2 GLN 90 27.986 -5.889 -20.262 720 H GLN 91 H GLN 91 33.519 -3.640 -16.195 721 HA GLN 91 HA GLN 91 33.546 -4.252 -13.351 722 HB2 GLN 91 1HB GLN 91 35.327 -2.464 -15.054 723 HB3 GLN 91 2HB GLN 91 35.615 -2.821 -13.357 724 HG2 GLN 91 1HG GLN 91 35.411 -4.972 -15.465 725 HG3 GLN 91 2HG GLN 91 36.940 -4.164 -15.019 726 HE21 GLN 91 1HE2 GLN 91 35.645 -7.300 -12.922 727 HE22 GLN 91 2HE2 GLN 91 35.067 -6.846 -14.490 728 H ILE 92 H ILE 92 31.318 -3.210 -13.156 729 HA ILE 92 HA ILE 92 31.616 -0.296 -12.616 730 HB ILE 92 HB ILE 92 29.135 -2.053 -12.816 731 HG12 ILE 92 1HG1 ILE 92 30.222 0.138 -14.599 732 HG13 ILE 92 2HG1 ILE 92 30.170 -1.579 -14.966 733 HG21 ILE 92 1HG2 ILE 92 27.869 0.043 -12.553 734 HG22 ILE 92 2HG2 ILE 92 28.847 -0.299 -11.107 735 HG23 ILE 92 3HG2 ILE 92 29.388 0.929 -12.275 736 HD11 ILE 92 1HD1 ILE 92 28.374 -0.389 -16.091 737 HD12 ILE 92 2HD1 ILE 92 27.715 -1.533 -14.898 738 HD13 ILE 92 3HD1 ILE 92 27.766 0.206 -14.529 739 H PHE 93 H PHE 93 31.505 0.551 -10.625 740 HA PHE 93 HA PHE 93 30.950 -1.348 -8.382 741 HB2 PHE 93 1HB PHE 93 32.720 1.117 -8.224 742 HB3 PHE 93 2HB PHE 93 32.534 -0.147 -7.020 743 HD1 PHE 93 HD1 PHE 93 33.915 0.640 -10.353 744 HD2 PHE 93 HD2 PHE 93 33.769 -2.176 -7.143 745 HE1 PHE 93 HE1 PHE 93 35.834 -0.574 -11.333 746 HE2 PHE 93 HE2 PHE 93 35.690 -3.390 -8.118 747 HZ PHE 93 HZ PHE 93 36.721 -2.589 -10.215 748 H LEU 94 H LEU 94 29.835 -0.570 -6.572 749 HA LEU 94 HA LEU 94 28.164 1.824 -7.162 750 HB2 LEU 94 1HB LEU 94 27.726 -0.352 -5.087 751 HB3 LEU 94 2HB LEU 94 26.592 0.928 -5.533 752 HG LEU 94 HG LEU 94 27.427 -1.467 -7.193 753 HD11 LEU 94 1HD1 LEU 94 25.021 -1.950 -7.107 754 HD12 LEU 94 2HD1 LEU 94 25.735 -1.865 -5.478 755 HD13 LEU 94 3HD1 LEU 94 24.769 -0.505 -6.098 756 HD21 LEU 94 1HD2 LEU 94 25.962 -0.532 -8.951 757 HD22 LEU 94 2HD2 LEU 94 25.722 0.934 -7.970 758 HD23 LEU 94 3HD2 LEU 94 27.335 0.552 -8.617 759 H ARG 95 H ARG 95 29.443 3.509 -6.481 760 HA ARG 95 HA ARG 95 30.629 3.253 -3.751 761 HB2 ARG 95 1HB ARG 95 31.555 4.859 -6.156 762 HB3 ARG 95 2HB ARG 95 32.280 4.960 -4.559 763 HG2 ARG 95 1HG ARG 95 33.060 2.700 -4.674 764 HG3 ARG 95 2HG ARG 95 32.128 2.398 -6.162 765 HD2 ARG 95 1HD ARG 95 33.475 3.968 -7.370 766 HD3 ARG 95 2HD ARG 95 34.349 4.408 -5.885 767 HE ARG 95 HE ARG 95 34.767 1.740 -6.018 768 HH11 ARG 95 1HH1 ARG 95 35.108 4.305 -8.394 769 HH12 ARG 95 2HH1 ARG 95 36.410 3.511 -9.250 770 HH21 ARG 95 1HH2 ARG 95 36.460 0.718 -7.137 771 HH22 ARG 95 2HH2 ARG 95 37.176 1.481 -8.539 772 H ASP 96 H ASP 96 30.475 4.912 -2.293 773 HA ASP 96 HA ASP 96 28.312 6.855 -2.877 774 HB2 ASP 96 1HB ASP 96 29.627 5.966 -0.282 775 HB3 ASP 96 2HB ASP 96 28.442 7.262 -0.371 Start of MODEL 14 1 H1 MET 1 1H MET 1 -2.108 2.492 -0.225 2 H2 MET 1 2H MET 1 -1.852 3.987 -0.830 3 H3 MET 1 3H MET 1 -1.063 2.705 -1.462 4 HA MET 1 HA MET 1 -0.745 3.774 1.227 5 HB2 MET 1 1HB MET 1 0.602 1.442 -0.186 6 HB3 MET 1 2HB MET 1 1.164 2.132 1.330 7 HG2 MET 1 1HG MET 1 -0.958 1.517 2.411 8 HG3 MET 1 2HG MET 1 -1.546 0.846 0.887 9 HE1 MET 1 1HE MET 1 1.857 -0.915 3.471 10 HE2 MET 1 2HE MET 1 1.994 0.681 2.694 11 HE3 MET 1 3HE MET 1 0.776 0.411 3.965 12 H LYS 2 H LYS 2 1.320 4.717 1.640 13 HA LYS 2 HA LYS 2 2.218 6.370 -0.579 14 HB2 LYS 2 1HB LYS 2 3.220 6.057 2.277 15 HB3 LYS 2 2HB LYS 2 3.885 7.211 1.130 16 HG2 LYS 2 1HG LYS 2 1.664 8.297 0.950 17 HG3 LYS 2 2HG LYS 2 1.027 7.155 2.141 18 HD2 LYS 2 1HD LYS 2 2.677 7.961 3.801 19 HD3 LYS 2 2HD LYS 2 3.313 9.105 2.609 20 HE2 LYS 2 1HE LYS 2 1.111 10.216 2.488 21 HE3 LYS 2 2HE LYS 2 0.459 9.066 3.658 22 HZ1 LYS 2 1HZ LYS 2 1.098 11.116 4.697 23 HZ2 LYS 2 2HZ LYS 2 2.043 9.888 5.262 24 HZ3 LYS 2 3HZ LYS 2 2.653 10.963 4.169 25 HA PRO 3 HA PRO 3 5.499 3.842 -1.951 26 HB2 PRO 3 1HB PRO 3 7.040 5.679 -3.260 27 HB3 PRO 3 2HB PRO 3 5.451 5.198 -3.871 28 HG2 PRO 3 1HG PRO 3 6.198 7.642 -2.207 29 HG3 PRO 3 2HG PRO 3 5.226 7.579 -3.682 30 HD2 PRO 3 1HD PRO 3 4.072 7.637 -1.204 31 HD3 PRO 3 2HD PRO 3 3.331 6.725 -2.580 32 H HIS 4 H HIS 4 7.997 3.824 -1.912 33 HA HIS 4 HA HIS 4 8.825 4.137 0.838 34 HB2 HIS 4 1HB HIS 4 10.269 3.353 -1.707 35 HB3 HIS 4 2HB HIS 4 11.120 3.534 -0.179 36 HD2 HIS 4 HD2 HIS 4 8.577 1.092 -1.882 37 HE1 HIS 4 HE1 HIS 4 9.812 -0.591 1.834 38 HA PRO 5 HA PRO 5 10.317 8.237 0.526 39 HB2 PRO 5 1HB PRO 5 11.339 8.506 3.035 40 HB3 PRO 5 2HB PRO 5 9.596 8.391 2.763 41 HG2 PRO 5 1HG PRO 5 11.550 6.202 3.588 42 HG3 PRO 5 2HG PRO 5 9.980 6.593 4.298 43 HD2 PRO 5 1HD PRO 5 10.289 4.593 2.442 44 HD3 PRO 5 2HD PRO 5 8.771 5.570 2.567 45 H TRP 6 H TRP 6 12.125 5.387 0.717 46 HA TRP 6 HA TRP 6 14.715 6.291 1.434 47 HB2 TRP 6 1HB TRP 6 13.835 4.006 -0.371 48 HB3 TRP 6 2HB TRP 6 15.499 4.259 0.137 49 HD1 TRP 6 HD1 TRP 6 12.440 2.472 1.152 50 HE1 TRP 6 HE1 TRP 6 12.633 1.570 3.568 51 HE3 TRP 6 HE3 TRP 6 16.563 5.125 2.655 52 HZ2 TRP 6 HZ2 TRP 6 14.325 1.949 5.796 53 HZ3 TRP 6 HZ3 TRP 6 17.418 4.811 4.943 54 HH2 TRP 6 HH2 TRP 6 16.323 3.246 6.493 55 H PHE 7 H PHE 7 16.415 7.134 0.348 56 HA PHE 7 HA PHE 7 17.405 8.522 -1.200 57 HB2 PHE 7 1HB PHE 7 16.311 6.232 -2.753 58 HB3 PHE 7 2HB PHE 7 16.699 7.658 -3.703 59 HD1 PHE 7 HD1 PHE 7 18.069 5.066 -1.472 60 HD2 PHE 7 HD2 PHE 7 18.963 8.350 -4.054 61 HE1 PHE 7 HE1 PHE 7 20.455 4.419 -1.465 62 HE2 PHE 7 HE2 PHE 7 21.350 7.704 -4.052 63 HZ PHE 7 HZ PHE 7 22.096 5.738 -2.755 64 H PHE 8 H PHE 8 14.940 7.926 -3.588 65 HA PHE 8 HA PHE 8 13.928 10.700 -3.155 66 HB2 PHE 8 1HB PHE 8 14.921 9.479 -5.758 67 HB3 PHE 8 2HB PHE 8 13.989 10.966 -5.672 68 HD1 PHE 8 HD1 PHE 8 17.185 9.375 -4.705 69 HD2 PHE 8 HD2 PHE 8 14.996 13.025 -5.071 70 HE1 PHE 8 HE1 PHE 8 19.268 10.658 -4.350 71 HE2 PHE 8 HE2 PHE 8 17.078 14.311 -4.719 72 HZ PHE 8 HZ PHE 8 19.215 13.126 -4.357 73 H GLY 9 H GLY 9 13.001 7.716 -2.921 74 HA2 GLY 9 1HA GLY 9 11.027 6.543 -3.244 75 HA3 GLY 9 2HA GLY 9 10.250 8.108 -3.398 76 H LYS 10 H LYS 10 9.071 8.215 -5.194 77 HA LYS 10 HA LYS 10 9.759 6.549 -7.515 78 HB2 LYS 10 1HB LYS 10 7.457 8.504 -7.122 79 HB3 LYS 10 2HB LYS 10 7.618 7.343 -8.434 80 HG2 LYS 10 1HG LYS 10 7.470 6.514 -5.526 81 HG3 LYS 10 2HG LYS 10 6.046 6.708 -6.557 82 HD2 LYS 10 1HD LYS 10 7.158 5.086 -8.187 83 HD3 LYS 10 2HD LYS 10 8.348 4.764 -6.919 84 HE2 LYS 10 1HE LYS 10 6.580 3.083 -6.849 85 HE3 LYS 10 2HE LYS 10 6.523 4.074 -5.389 86 HZ1 LYS 10 1HZ LYS 10 4.348 3.729 -6.305 87 HZ2 LYS 10 2HZ LYS 10 4.735 5.331 -6.381 88 HZ3 LYS 10 3HZ LYS 10 4.787 4.405 -7.745 89 H ILE 11 H ILE 11 11.824 8.195 -7.256 90 HA ILE 11 HA ILE 11 11.605 10.539 -8.921 91 HB ILE 11 HB ILE 11 13.522 9.905 -7.296 92 HG12 ILE 11 1HG1 ILE 11 14.154 10.928 -10.075 93 HG13 ILE 11 2HG1 ILE 11 13.530 11.883 -8.739 94 HG21 ILE 11 1HG2 ILE 11 15.393 8.691 -8.337 95 HG22 ILE 11 2HG2 ILE 11 13.949 7.659 -8.218 96 HG23 ILE 11 3HG2 ILE 11 14.397 8.385 -9.780 97 HD11 ILE 11 1HD1 ILE 11 15.924 12.206 -9.003 98 HD12 ILE 11 2HD1 ILE 11 15.566 11.426 -7.444 99 HD13 ILE 11 3HD1 ILE 11 16.200 10.460 -8.797 100 HA PRO 12 HA PRO 12 11.553 8.602 -12.908 101 HB2 PRO 12 1HB PRO 12 12.256 10.771 -14.410 102 HB3 PRO 12 2HB PRO 12 10.653 10.633 -13.676 103 HG2 PRO 12 1HG PRO 12 13.107 12.115 -12.622 104 HG3 PRO 12 2HG PRO 12 11.468 12.739 -12.830 105 HD2 PRO 12 1HD PRO 12 12.305 11.844 -10.414 106 HD3 PRO 12 2HD PRO 12 10.612 11.539 -10.976 107 H ARG 13 H ARG 13 13.119 7.664 -14.204 108 HA ARG 13 HA ARG 13 15.841 7.579 -13.481 109 HB2 ARG 13 1HB ARG 13 14.535 6.048 -15.080 110 HB3 ARG 13 2HB ARG 13 14.839 7.254 -16.321 111 HG2 ARG 13 1HG ARG 13 17.271 6.465 -14.887 112 HG3 ARG 13 2HG ARG 13 16.453 5.116 -15.713 113 HD2 ARG 13 1HD ARG 13 17.310 7.731 -16.931 114 HD3 ARG 13 2HD ARG 13 18.056 6.135 -17.174 115 HE ARG 13 HE ARG 13 15.365 5.881 -17.876 116 HH11 ARG 13 1HH1 ARG 13 18.179 7.694 -18.945 117 HH12 ARG 13 2HH1 ARG 13 17.649 7.774 -20.611 118 HH21 ARG 13 1HH2 ARG 13 14.688 5.993 -20.041 119 HH22 ARG 13 2HH2 ARG 13 15.674 6.812 -21.232 120 H ALA 14 H ALA 14 14.126 9.751 -15.702 121 HA ALA 14 HA ALA 14 16.136 11.208 -16.863 122 HB1 ALA 14 1HB ALA 14 14.703 13.209 -16.611 123 HB2 ALA 14 2HB ALA 14 13.758 11.776 -17.083 124 HB3 ALA 14 3HB ALA 14 13.728 12.350 -15.399 125 H LYS 15 H LYS 15 14.922 11.885 -13.549 126 HA LYS 15 HA LYS 15 16.872 13.990 -13.214 127 HB2 LYS 15 1HB LYS 15 14.522 13.686 -12.100 128 HB3 LYS 15 2HB LYS 15 15.374 12.678 -10.937 129 HG2 LYS 15 1HG LYS 15 15.240 14.849 -9.996 130 HG3 LYS 15 2HG LYS 15 16.919 14.635 -10.509 131 HD2 LYS 15 1HD LYS 15 16.379 15.858 -12.631 132 HD3 LYS 15 2HD LYS 15 14.752 16.157 -12.002 133 HE2 LYS 15 1HE LYS 15 15.625 17.452 -10.157 134 HE3 LYS 15 2HE LYS 15 17.285 17.006 -10.558 135 HZ1 LYS 15 1HZ LYS 15 16.747 19.195 -11.337 136 HZ2 LYS 15 2HZ LYS 15 17.047 18.205 -12.623 137 HZ3 LYS 15 3HZ LYS 15 15.496 18.623 -12.247 138 H ALA 16 H ALA 16 16.668 10.610 -12.196 139 HA ALA 16 HA ALA 16 18.712 10.746 -10.216 140 HB1 ALA 16 1HB ALA 16 18.782 8.282 -10.422 141 HB2 ALA 16 2HB ALA 16 17.111 8.891 -10.340 142 HB3 ALA 16 3HB ALA 16 17.798 8.386 -11.902 143 H GLU 17 H GLU 17 18.816 10.075 -13.696 144 HA GLU 17 HA GLU 17 21.660 9.518 -13.715 145 HB2 GLU 17 1HB GLU 17 19.718 10.275 -15.932 146 HB3 GLU 17 2HB GLU 17 21.400 9.844 -16.209 147 HG2 GLU 17 1HG GLU 17 20.896 7.635 -15.058 148 HG3 GLU 17 2HG GLU 17 19.195 8.087 -15.129 149 H GLU 18 H GLU 18 19.650 12.380 -14.359 150 HA GLU 18 HA GLU 18 21.706 14.117 -15.229 151 HB2 GLU 18 1HB GLU 18 19.270 14.636 -15.326 152 HB3 GLU 18 2HB GLU 18 19.240 14.798 -13.577 153 HG2 GLU 18 1HG GLU 18 20.866 16.669 -13.754 154 HG3 GLU 18 2HG GLU 18 20.793 16.532 -15.509 155 H MET 19 H MET 19 20.517 13.442 -11.931 156 HA MET 19 HA MET 19 22.251 15.259 -10.594 157 HB2 MET 19 1HB MET 19 20.793 12.744 -9.775 158 HB3 MET 19 2HB MET 19 21.911 13.514 -8.658 159 HG2 MET 19 1HG MET 19 20.593 15.639 -8.905 160 HG3 MET 19 2HG MET 19 19.422 14.739 -9.872 161 HE1 MET 19 1HE MET 19 17.585 12.495 -7.420 162 HE2 MET 19 2HE MET 19 17.513 13.407 -8.948 163 HE3 MET 19 3HE MET 19 18.725 12.120 -8.736 164 H LEU 20 H LEU 20 22.690 11.861 -11.537 165 HA LEU 20 HA LEU 20 25.227 11.538 -10.250 166 HB2 LEU 20 1HB LEU 20 23.956 10.124 -12.616 167 HB3 LEU 20 2HB LEU 20 25.486 9.625 -11.887 168 HG LEU 20 HG LEU 20 22.850 9.739 -10.381 169 HD11 LEU 20 1HD1 LEU 20 22.823 7.299 -10.646 170 HD12 LEU 20 2HD1 LEU 20 22.726 8.133 -12.216 171 HD13 LEU 20 3HD1 LEU 20 24.260 7.396 -11.691 172 HD21 LEU 20 1HD2 LEU 20 24.094 8.353 -8.756 173 HD22 LEU 20 2HD2 LEU 20 25.550 8.465 -9.774 174 HD23 LEU 20 3HD2 LEU 20 24.892 9.925 -8.999 175 H SER 21 H SER 21 24.250 12.783 -13.402 176 HA SER 21 HA SER 21 26.977 12.814 -14.439 177 HB2 SER 21 1HB SER 21 26.015 13.883 -16.377 178 HB3 SER 21 2HB SER 21 24.972 12.555 -15.889 179 HG SER 21 HG SER 21 24.063 14.488 -14.545 180 H LYS 22 H LYS 22 25.054 14.884 -12.459 181 HA LYS 22 HA LYS 22 27.009 17.079 -12.739 182 HB2 LYS 22 1HB LYS 22 24.632 16.667 -10.885 183 HB3 LYS 22 2HB LYS 22 25.697 18.064 -10.806 184 HG2 LYS 22 1HG LYS 22 25.073 18.692 -13.100 185 HG3 LYS 22 2HG LYS 22 24.026 17.271 -13.209 186 HD2 LYS 22 1HD LYS 22 22.671 18.116 -11.323 187 HD3 LYS 22 2HD LYS 22 23.724 19.533 -11.199 188 HE2 LYS 22 1HE LYS 22 23.095 20.228 -13.470 189 HE3 LYS 22 2HE LYS 22 22.094 18.786 -13.656 190 HZ1 LYS 22 1HZ LYS 22 20.792 20.692 -13.057 191 HZ2 LYS 22 2HZ LYS 22 20.727 19.571 -11.847 192 HZ3 LYS 22 3HZ LYS 22 21.661 20.920 -11.675 193 H GLN 23 H GLN 23 26.224 14.405 -10.565 194 HA GLN 23 HA GLN 23 28.187 15.004 -8.572 195 HB2 GLN 23 1HB GLN 23 26.349 13.314 -8.325 196 HB3 GLN 23 2HB GLN 23 27.181 12.275 -9.473 197 HG2 GLN 23 1HG GLN 23 27.677 11.484 -7.295 198 HG3 GLN 23 2HG GLN 23 29.155 12.269 -7.917 199 HE21 GLN 23 1HE2 GLN 23 29.469 14.253 -5.105 200 HE22 GLN 23 2HE2 GLN 23 30.198 13.334 -6.380 201 H ARG 24 H ARG 24 28.347 13.269 -11.658 202 HA ARG 24 HA ARG 24 30.142 12.406 -12.824 203 HB2 ARG 24 1HB ARG 24 31.583 14.729 -11.500 204 HB3 ARG 24 2HB ARG 24 32.141 13.848 -12.913 205 HG2 ARG 24 1HG ARG 24 29.572 15.446 -12.795 206 HG3 ARG 24 2HG ARG 24 31.121 16.028 -13.454 207 HD2 ARG 24 1HD ARG 24 29.487 13.702 -14.441 208 HD3 ARG 24 2HD ARG 24 29.703 15.280 -15.230 209 HE ARG 24 HE ARG 24 31.568 13.047 -15.178 210 HH11 ARG 24 1HH1 ARG 24 31.159 16.496 -15.709 211 HH12 ARG 24 2HH1 ARG 24 32.591 16.640 -16.704 212 HH21 ARG 24 1HH2 ARG 24 33.424 13.246 -16.470 213 HH22 ARG 24 2HH2 ARG 24 33.874 14.801 -17.135 214 H HIS 25 H HIS 25 29.729 10.889 -10.656 215 HA HIS 25 HA HIS 25 32.501 10.315 -9.676 216 HB2 HIS 25 1HB HIS 25 31.206 11.341 -7.850 217 HB3 HIS 25 2HB HIS 25 29.923 10.159 -8.070 218 HD2 HIS 25 HD2 HIS 25 31.092 7.268 -7.603 219 HE1 HIS 25 HE1 HIS 25 33.696 8.958 -4.702 220 H ASP 26 H ASP 26 32.969 8.659 -11.010 221 HA ASP 26 HA ASP 26 31.180 6.596 -11.786 222 HB2 ASP 26 1HB ASP 26 34.206 6.706 -11.559 223 HB3 ASP 26 2HB ASP 26 33.367 5.271 -12.134 224 H GLY 27 H GLY 27 30.527 4.726 -10.912 225 HA2 GLY 27 1HA GLY 27 30.697 2.933 -9.270 226 HA3 GLY 27 2HA GLY 27 31.588 4.010 -8.212 227 H ALA 28 H ALA 28 29.806 6.306 -8.699 228 HA ALA 28 HA ALA 28 28.043 5.800 -6.495 229 HB1 ALA 28 1HB ALA 28 27.207 8.086 -6.930 230 HB2 ALA 28 2HB ALA 28 28.985 8.023 -6.934 231 HB3 ALA 28 3HB ALA 28 28.094 8.109 -8.471 232 H PHE 29 H PHE 29 25.753 5.919 -6.411 233 HA PHE 29 HA PHE 29 24.367 5.186 -8.928 234 HB2 PHE 29 1HB PHE 29 23.409 3.161 -7.934 235 HB3 PHE 29 2HB PHE 29 25.161 3.048 -7.985 236 HD1 PHE 29 HD1 PHE 29 22.282 3.744 -5.752 237 HD2 PHE 29 HD2 PHE 29 26.424 2.733 -6.022 238 HE1 PHE 29 HE1 PHE 29 22.317 3.252 -3.330 239 HE2 PHE 29 HE2 PHE 29 26.463 2.237 -3.601 240 HZ PHE 29 HZ PHE 29 24.409 2.499 -2.254 241 H LEU 30 H LEU 30 22.014 5.107 -8.692 242 HA LEU 30 HA LEU 30 21.020 6.368 -6.178 243 HB2 LEU 30 1HB LEU 30 21.083 7.892 -8.275 244 HB3 LEU 30 2HB LEU 30 19.763 6.885 -8.881 245 HG LEU 30 HG LEU 30 19.443 8.074 -6.153 246 HD11 LEU 30 1HD1 LEU 30 18.679 10.197 -7.121 247 HD12 LEU 30 2HD1 LEU 30 20.408 9.917 -7.432 248 HD13 LEU 30 3HD1 LEU 30 19.217 9.658 -8.728 249 HD21 LEU 30 1HD2 LEU 30 17.112 8.242 -6.960 250 HD22 LEU 30 2HD2 LEU 30 17.627 7.675 -8.567 251 HD23 LEU 30 3HD2 LEU 30 17.743 6.589 -7.162 252 H ILE 31 H ILE 31 19.694 5.075 -5.139 253 HA ILE 31 HA ILE 31 18.292 2.944 -6.660 254 HB ILE 31 HB ILE 31 18.825 3.334 -3.689 255 HG12 ILE 31 1HG1 ILE 31 19.652 1.061 -5.496 256 HG13 ILE 31 2HG1 ILE 31 20.641 2.495 -5.266 257 HG21 ILE 31 1HG2 ILE 31 17.680 1.180 -3.358 258 HG22 ILE 31 2HG2 ILE 31 16.563 2.404 -4.006 259 HG23 ILE 31 3HG2 ILE 31 17.228 1.150 -5.079 260 HD11 ILE 31 1HD1 ILE 31 21.362 0.690 -3.807 261 HD12 ILE 31 2HD1 ILE 31 20.740 2.056 -2.851 262 HD13 ILE 31 3HD1 ILE 31 19.739 0.602 -3.084 263 H ARG 32 H ARG 32 16.149 2.848 -6.912 264 HA ARG 32 HA ARG 32 14.443 4.789 -5.468 265 HB2 ARG 32 1HB ARG 32 13.619 5.865 -7.408 266 HB3 ARG 32 2HB ARG 32 15.368 5.886 -7.572 267 HG2 ARG 32 1HG ARG 32 15.127 3.813 -9.036 268 HG3 ARG 32 2HG ARG 32 13.380 4.157 -9.041 269 HD2 ARG 32 1HD ARG 32 13.808 6.361 -9.946 270 HD3 ARG 32 2HD ARG 32 15.557 6.038 -9.922 271 HE ARG 32 HE ARG 32 13.560 4.904 -11.755 272 HH11 ARG 32 1HH1 ARG 32 16.881 4.971 -10.614 273 HH12 ARG 32 2HH1 ARG 32 17.522 4.198 -12.047 274 HH21 ARG 32 1HH2 ARG 32 14.403 3.902 -13.610 275 HH22 ARG 32 2HH2 ARG 32 16.119 3.593 -13.743 276 H GLU 33 H GLU 33 12.133 4.466 -5.904 277 HA GLU 33 HA GLU 33 11.542 1.609 -6.412 278 HB2 GLU 33 1HB GLU 33 10.608 2.783 -4.390 279 HB3 GLU 33 2HB GLU 33 9.692 3.834 -5.461 280 HG2 GLU 33 1HG GLU 33 8.473 1.898 -6.345 281 HG3 GLU 33 2HG GLU 33 9.411 0.824 -5.308 282 H SER 34 H SER 34 10.423 0.841 -8.096 283 HA SER 34 HA SER 34 10.289 2.497 -10.456 284 HB2 SER 34 1HB SER 34 10.783 0.123 -10.623 285 HB3 SER 34 2HB SER 34 9.253 -0.294 -9.868 286 HG SER 34 HG SER 34 9.831 0.454 -12.415 287 H GLU 35 H GLU 35 8.604 3.438 -11.481 288 HA GLU 35 HA GLU 35 6.023 3.554 -10.061 289 HB2 GLU 35 1HB GLU 35 7.041 4.922 -12.582 290 HB3 GLU 35 2HB GLU 35 5.424 5.147 -11.932 291 HG2 GLU 35 1HG GLU 35 6.386 6.042 -9.848 292 HG3 GLU 35 2HG GLU 35 8.006 5.822 -10.505 293 H SER 36 H SER 36 7.487 1.549 -12.307 294 HA SER 36 HA SER 36 4.917 0.913 -13.665 295 HB2 SER 36 1HB SER 36 7.765 0.019 -14.227 296 HB3 SER 36 2HB SER 36 6.356 -0.501 -15.138 297 HG SER 36 HG SER 36 5.970 1.851 -15.348 298 H ALA 37 H ALA 37 7.318 -0.369 -11.440 299 HA ALA 37 HA ALA 37 5.372 -2.539 -10.838 300 HB1 ALA 37 1HB ALA 37 7.251 -4.087 -10.400 301 HB2 ALA 37 2HB ALA 37 7.220 -3.552 -12.098 302 HB3 ALA 37 3HB ALA 37 8.394 -2.847 -10.963 303 HA PRO 38 HA PRO 38 6.239 0.169 -7.222 304 HB2 PRO 38 1HB PRO 38 3.491 -1.026 -6.662 305 HB3 PRO 38 2HB PRO 38 4.080 0.604 -6.318 306 HG2 PRO 38 1HG PRO 38 2.528 0.259 -8.446 307 HG3 PRO 38 2HG PRO 38 3.959 1.282 -8.599 308 HD2 PRO 38 1HD PRO 38 3.555 -1.598 -9.484 309 HD3 PRO 38 2HD PRO 38 4.408 -0.251 -10.338 310 H GLY 39 H GLY 39 7.046 -0.511 -5.273 311 HA2 GLY 39 1HA GLY 39 7.270 -2.039 -3.427 312 HA3 GLY 39 2HA GLY 39 6.560 -3.313 -4.401 313 H ASP 40 H ASP 40 8.255 -2.537 -6.760 314 HA ASP 40 HA ASP 40 10.748 -3.880 -5.860 315 HB2 ASP 40 1HB ASP 40 9.466 -3.487 -8.583 316 HB3 ASP 40 2HB ASP 40 11.127 -4.037 -8.409 317 H PHE 41 H PHE 41 12.809 -3.132 -6.526 318 HA PHE 41 HA PHE 41 12.842 -0.155 -6.757 319 HB2 PHE 41 1HB PHE 41 14.736 -2.108 -5.408 320 HB3 PHE 41 2HB PHE 41 15.195 -0.447 -5.752 321 HD1 PHE 41 HD1 PHE 41 11.885 -0.023 -5.224 322 HD2 PHE 41 HD2 PHE 41 15.371 -1.196 -3.051 323 HE1 PHE 41 HE1 PHE 41 10.816 0.710 -3.119 324 HE2 PHE 41 HE2 PHE 41 14.305 -0.467 -0.943 325 HZ PHE 41 HZ PHE 41 12.027 0.487 -0.978 326 H SER 42 H SER 42 14.481 0.851 -8.028 327 HA SER 42 HA SER 42 16.031 -1.023 -9.768 328 HB2 SER 42 1HB SER 42 15.110 1.816 -10.314 329 HB3 SER 42 2HB SER 42 16.244 0.937 -11.328 330 HG SER 42 HG SER 42 14.635 0.057 -12.208 331 H LEU 43 H LEU 43 18.217 -0.569 -10.150 332 HA LEU 43 HA LEU 43 19.398 1.512 -8.357 333 HB2 LEU 43 1HB LEU 43 19.805 -1.027 -7.849 334 HB3 LEU 43 2HB LEU 43 20.902 -0.954 -9.231 335 HG LEU 43 HG LEU 43 21.244 1.078 -7.052 336 HD11 LEU 43 1HD1 LEU 43 22.613 -0.505 -5.770 337 HD12 LEU 43 2HD1 LEU 43 20.909 -1.012 -5.835 338 HD13 LEU 43 3HD1 LEU 43 22.117 -1.819 -6.863 339 HD21 LEU 43 1HD2 LEU 43 23.609 0.758 -7.696 340 HD22 LEU 43 2HD2 LEU 43 23.129 -0.539 -8.818 341 HD23 LEU 43 3HD2 LEU 43 22.604 1.136 -9.116 342 H SER 44 H SER 44 19.984 3.167 -9.573 343 HA SER 44 HA SER 44 21.073 2.632 -12.288 344 HB2 SER 44 1HB SER 44 19.928 5.075 -10.928 345 HB3 SER 44 2HB SER 44 20.883 5.218 -12.396 346 HG SER 44 HG SER 44 19.437 4.091 -13.491 347 H VAL 45 H VAL 45 23.190 2.419 -12.446 348 HA VAL 45 HA VAL 45 24.859 3.630 -10.297 349 HB VAL 45 HB VAL 45 24.943 1.158 -10.535 350 HG11 VAL 45 1HG1 VAL 45 25.946 0.142 -12.523 351 HG12 VAL 45 2HG1 VAL 45 24.427 0.990 -12.901 352 HG13 VAL 45 3HG1 VAL 45 25.991 1.736 -13.313 353 HG21 VAL 45 1HG2 VAL 45 27.405 0.961 -10.690 354 HG22 VAL 45 2HG2 VAL 45 27.488 2.581 -11.419 355 HG23 VAL 45 3HG2 VAL 45 26.933 2.388 -9.740 356 H LYS 46 H LYS 46 26.039 5.347 -10.764 357 HA LYS 46 HA LYS 46 26.687 6.023 -13.545 358 HB2 LYS 46 1HB LYS 46 26.115 7.794 -11.905 359 HB3 LYS 46 2HB LYS 46 27.507 7.348 -10.929 360 HG2 LYS 46 1HG LYS 46 28.023 9.318 -12.219 361 HG3 LYS 46 2HG LYS 46 29.004 7.969 -12.809 362 HD2 LYS 46 1HD LYS 46 28.125 8.137 -14.869 363 HD3 LYS 46 2HD LYS 46 26.474 8.079 -14.233 364 HE2 LYS 46 1HE LYS 46 26.510 10.476 -13.791 365 HE3 LYS 46 2HE LYS 46 28.208 10.576 -14.264 366 HZ1 LYS 46 1HZ LYS 46 26.759 11.277 -16.024 367 HZ2 LYS 46 2HZ LYS 46 27.569 9.915 -16.480 368 HZ3 LYS 46 3HZ LYS 46 25.982 9.823 -16.038 369 H PHE 47 H PHE 47 28.007 4.394 -14.297 370 HA PHE 47 HA PHE 47 30.796 4.671 -13.269 371 HB2 PHE 47 1HB PHE 47 29.640 2.402 -12.778 372 HB3 PHE 47 2HB PHE 47 29.740 2.112 -14.507 373 HD1 PHE 47 HD1 PHE 47 31.769 1.462 -15.536 374 HD2 PHE 47 HD2 PHE 47 31.744 2.738 -11.458 375 HE1 PHE 47 HE1 PHE 47 34.085 0.640 -15.266 376 HE2 PHE 47 HE2 PHE 47 34.060 1.918 -11.185 377 HZ PHE 47 HZ PHE 47 35.231 0.868 -13.091 378 H GLY 48 H GLY 48 32.263 5.237 -14.725 379 HA2 GLY 48 1HA GLY 48 33.265 5.555 -16.817 380 HA3 GLY 48 2HA GLY 48 31.981 4.623 -17.563 381 H ASN 49 H ASN 49 31.300 7.332 -15.426 382 HA ASN 49 HA ASN 49 30.148 9.291 -15.788 383 HB2 ASN 49 1HB ASN 49 31.733 9.119 -18.360 384 HB3 ASN 49 2HB ASN 49 30.636 10.454 -18.033 385 HD21 ASN 49 1HD2 ASN 49 34.319 10.630 -16.662 386 HD22 ASN 49 2HD2 ASN 49 33.754 9.632 -17.959 387 H ASP 50 H ASP 50 29.423 6.486 -17.282 388 HA ASP 50 HA ASP 50 26.846 7.668 -18.225 389 HB2 ASP 50 1HB ASP 50 28.296 6.075 -19.736 390 HB3 ASP 50 2HB ASP 50 27.661 4.798 -18.707 391 H VAL 51 H VAL 51 24.922 6.227 -17.800 392 HA VAL 51 HA VAL 51 25.168 4.996 -15.085 393 HB VAL 51 HB VAL 51 22.709 6.332 -16.293 394 HG11 VAL 51 1HG1 VAL 51 21.801 6.162 -14.027 395 HG12 VAL 51 2HG1 VAL 51 22.174 4.564 -14.718 396 HG13 VAL 51 3HG1 VAL 51 23.262 5.287 -13.509 397 HG21 VAL 51 1HG2 VAL 51 23.157 8.140 -14.664 398 HG22 VAL 51 2HG2 VAL 51 24.661 7.323 -14.174 399 HG23 VAL 51 3HG2 VAL 51 24.496 7.971 -15.824 400 H GLN 52 H GLN 52 24.726 2.907 -14.950 401 HA GLN 52 HA GLN 52 23.026 1.692 -17.085 402 HB2 GLN 52 1HB GLN 52 25.448 0.852 -16.655 403 HB3 GLN 52 2HB GLN 52 24.807 0.155 -15.174 404 HG2 GLN 52 1HG GLN 52 23.476 -1.376 -16.302 405 HG3 GLN 52 2HG GLN 52 23.503 -0.431 -17.817 406 HE21 GLN 52 1HE2 GLN 52 26.058 -3.438 -17.310 407 HE22 GLN 52 2HE2 GLN 52 24.613 -3.185 -16.388 408 H HIS 53 H HIS 53 21.341 0.320 -16.556 409 HA HIS 53 HA HIS 53 20.226 0.920 -13.848 410 HB2 HIS 53 1HB HIS 53 18.820 1.757 -15.611 411 HB3 HIS 53 2HB HIS 53 18.913 0.242 -16.499 412 HD2 HIS 53 HD2 HIS 53 16.106 1.821 -14.766 413 HE1 HIS 53 HE1 HIS 53 16.043 -2.160 -13.284 414 H PHE 54 H PHE 54 20.318 -0.615 -12.394 415 HA PHE 54 HA PHE 54 20.091 -3.443 -13.311 416 HB2 PHE 54 1HB PHE 54 20.883 -2.423 -10.558 417 HB3 PHE 54 2HB PHE 54 20.991 -4.075 -11.144 418 HD1 PHE 54 HD1 PHE 54 21.993 -3.058 -13.985 419 HD2 PHE 54 HD2 PHE 54 23.236 -2.429 -9.947 420 HE1 PHE 54 HE1 PHE 54 24.302 -2.634 -14.764 421 HE2 PHE 54 HE2 PHE 54 25.545 -2.001 -10.722 422 HZ PHE 54 HZ PHE 54 26.078 -2.106 -13.131 423 H LYS 55 H LYS 55 18.596 -4.848 -12.402 424 HA LYS 55 HA LYS 55 16.209 -3.499 -11.279 425 HB2 LYS 55 1HB LYS 55 16.465 -6.417 -12.075 426 HB3 LYS 55 2HB LYS 55 14.991 -5.482 -11.861 427 HG2 LYS 55 1HG LYS 55 15.509 -4.149 -13.846 428 HG3 LYS 55 2HG LYS 55 17.041 -5.011 -14.045 429 HD2 LYS 55 1HD LYS 55 15.805 -7.139 -14.328 430 HD3 LYS 55 2HD LYS 55 14.274 -6.271 -14.137 431 HE2 LYS 55 1HE LYS 55 14.788 -4.916 -16.138 432 HE3 LYS 55 2HE LYS 55 16.325 -5.763 -16.325 433 HZ1 LYS 55 1HZ LYS 55 14.640 -6.673 -17.744 434 HZ2 LYS 55 2HZ LYS 55 15.099 -7.802 -16.634 435 HZ3 LYS 55 3HZ LYS 55 13.663 -7.011 -16.460 436 H VAL 56 H VAL 56 15.880 -3.403 -9.194 437 HA VAL 56 HA VAL 56 17.167 -5.462 -7.463 438 HB VAL 56 HB VAL 56 16.056 -2.704 -6.788 439 HG11 VAL 56 1HG1 VAL 56 16.992 -3.071 -4.558 440 HG12 VAL 56 2HG1 VAL 56 15.712 -4.245 -4.945 441 HG13 VAL 56 3HG1 VAL 56 17.421 -4.737 -5.012 442 HG21 VAL 56 1HG2 VAL 56 18.432 -2.160 -6.360 443 HG22 VAL 56 2HG2 VAL 56 18.899 -3.797 -6.876 444 HG23 VAL 56 3HG2 VAL 56 18.182 -2.665 -8.048 445 H LEU 57 H LEU 57 15.864 -7.091 -6.829 446 HA LEU 57 HA LEU 57 12.960 -6.606 -7.333 447 HB2 LEU 57 1HB LEU 57 14.498 -9.206 -7.637 448 HB3 LEU 57 2HB LEU 57 12.830 -8.892 -8.128 449 HG LEU 57 HG LEU 57 15.260 -7.544 -9.358 450 HD11 LEU 57 1HD1 LEU 57 14.877 -9.061 -11.248 451 HD12 LEU 57 2HD1 LEU 57 15.284 -9.951 -9.762 452 HD13 LEU 57 3HD1 LEU 57 13.598 -9.887 -10.328 453 HD21 LEU 57 1HD2 LEU 57 13.627 -6.891 -11.095 454 HD22 LEU 57 2HD2 LEU 57 12.327 -7.685 -10.171 455 HD23 LEU 57 3HD2 LEU 57 13.152 -6.259 -9.499 456 H ARG 58 H ARG 58 11.420 -7.449 -5.997 457 HA ARG 58 HA ARG 58 12.129 -7.934 -3.264 458 HB2 ARG 58 1HB ARG 58 9.575 -8.363 -4.835 459 HB3 ARG 58 2HB ARG 58 9.697 -8.732 -3.122 460 HG2 ARG 58 1HG ARG 58 10.081 -6.445 -2.560 461 HG3 ARG 58 2HG ARG 58 10.296 -5.999 -4.270 462 HD2 ARG 58 1HD ARG 58 7.759 -7.174 -3.177 463 HD3 ARG 58 2HD ARG 58 8.087 -5.427 -3.246 464 HE ARG 58 HE ARG 58 8.583 -6.404 -5.800 465 HH11 ARG 58 1HH1 ARG 58 5.855 -6.252 -3.591 466 HH12 ARG 58 2HH1 ARG 58 4.664 -6.181 -4.869 467 HH21 ARG 58 1HH2 ARG 58 7.026 -6.312 -7.451 468 HH22 ARG 58 2HH2 ARG 58 5.326 -6.214 -7.055 469 H ASP 59 H ASP 59 12.468 -9.748 -2.116 470 HA ASP 59 HA ASP 59 12.336 -12.340 -3.565 471 HB2 ASP 59 1HB ASP 59 14.337 -11.442 -2.045 472 HB3 ASP 59 2HB ASP 59 13.345 -12.083 -0.743 473 H GLY 60 H GLY 60 11.684 -14.234 -2.077 474 HA2 GLY 60 1HA GLY 60 8.913 -13.938 -1.436 475 HA3 GLY 60 2HA GLY 60 9.913 -15.326 -1.051 476 H ALA 61 H ALA 61 11.782 -13.228 0.333 477 HA ALA 61 HA ALA 61 10.591 -13.598 2.974 478 HB1 ALA 61 1HB ALA 61 12.683 -12.564 3.791 479 HB2 ALA 61 2HB ALA 61 13.006 -13.893 2.651 480 HB3 ALA 61 3HB ALA 61 13.152 -12.203 2.113 481 H GLY 62 H GLY 62 10.123 -11.336 0.581 482 HA2 GLY 62 1HA GLY 62 9.248 -9.149 0.666 483 HA3 GLY 62 2HA GLY 62 9.395 -9.158 2.414 484 H LYS 63 H LYS 63 12.270 -10.306 1.177 485 HA LYS 63 HA LYS 63 13.623 -7.771 1.771 486 HB2 LYS 63 1HB LYS 63 14.642 -10.542 1.039 487 HB3 LYS 63 2HB LYS 63 15.702 -9.166 1.311 488 HG2 LYS 63 1HG LYS 63 14.992 -8.987 3.615 489 HG3 LYS 63 2HG LYS 63 13.747 -10.220 3.372 490 HD2 LYS 63 1HD LYS 63 15.583 -11.844 2.759 491 HD3 LYS 63 2HD LYS 63 16.757 -10.607 3.234 492 HE2 LYS 63 1HE LYS 63 14.569 -11.525 5.115 493 HE3 LYS 63 2HE LYS 63 16.107 -12.382 4.990 494 HZ1 LYS 63 1HZ LYS 63 16.140 -10.761 6.739 495 HZ2 LYS 63 2HZ LYS 63 17.226 -10.340 5.570 496 HZ3 LYS 63 3HZ LYS 63 15.789 -9.540 5.687 497 H TYR 64 H TYR 64 15.435 -7.044 0.344 498 HA TYR 64 HA TYR 64 14.602 -7.235 -2.519 499 HB2 TYR 64 1HB TYR 64 16.091 -5.065 -0.996 500 HB3 TYR 64 2HB TYR 64 16.004 -5.111 -2.751 501 HD1 TYR 64 HD1 TYR 64 14.182 -4.465 0.349 502 HD2 TYR 64 HD2 TYR 64 13.879 -4.745 -3.922 503 HE1 TYR 64 HE1 TYR 64 12.018 -3.275 0.423 504 HE2 TYR 64 HE2 TYR 64 11.715 -3.554 -3.847 505 HH TYR 64 HH TYR 64 10.071 -2.807 -2.504 506 H PHE 65 H PHE 65 16.011 -7.816 -4.084 507 HA PHE 65 HA PHE 65 18.883 -7.996 -3.390 508 HB2 PHE 65 1HB PHE 65 19.137 -10.246 -4.202 509 HB3 PHE 65 2HB PHE 65 17.869 -10.266 -2.985 510 HD1 PHE 65 HD1 PHE 65 18.690 -10.798 -6.478 511 HD2 PHE 65 HD2 PHE 65 15.494 -10.473 -3.662 512 HE1 PHE 65 HE1 PHE 65 17.160 -11.873 -8.094 513 HE2 PHE 65 HE2 PHE 65 13.961 -11.551 -5.275 514 HZ PHE 65 HZ PHE 65 14.795 -12.249 -7.492 515 H LEU 66 H LEU 66 20.187 -8.575 -5.406 516 HA LEU 66 HA LEU 66 18.926 -7.350 -7.811 517 HB2 LEU 66 1HB LEU 66 20.325 -5.710 -6.411 518 HB3 LEU 66 2HB LEU 66 21.730 -6.665 -6.892 519 HG LEU 66 HG LEU 66 19.856 -5.295 -8.850 520 HD11 LEU 66 1HD1 LEU 66 21.643 -3.626 -9.074 521 HD12 LEU 66 2HD1 LEU 66 20.976 -3.658 -7.425 522 HD13 LEU 66 3HD1 LEU 66 22.548 -4.419 -7.765 523 HD21 LEU 66 1HD2 LEU 66 21.705 -5.737 -10.431 524 HD22 LEU 66 2HD2 LEU 66 22.612 -6.560 -9.141 525 HD23 LEU 66 3HD2 LEU 66 21.083 -7.251 -9.733 526 H TRP 67 H TRP 67 22.091 -8.666 -6.753 527 HA TRP 67 HA TRP 67 22.359 -10.009 -9.362 528 HB2 TRP 67 1HB TRP 67 24.270 -9.990 -6.993 529 HB3 TRP 67 2HB TRP 67 24.632 -10.534 -8.625 530 HD1 TRP 67 HD1 TRP 67 24.700 -7.485 -6.467 531 HE1 TRP 67 HE1 TRP 67 25.383 -5.408 -7.847 532 HE3 TRP 67 HE3 TRP 67 24.263 -9.486 -11.169 533 HZ2 TRP 67 HZ2 TRP 67 25.692 -4.735 -10.571 534 HZ3 TRP 67 HZ3 TRP 67 24.766 -8.071 -13.120 535 HH2 TRP 67 HH2 TRP 67 25.474 -5.733 -12.834 536 H VAL 68 H VAL 68 23.171 -12.306 -9.398 537 HA VAL 68 HA VAL 68 21.798 -14.158 -7.719 538 HB VAL 68 HB VAL 68 23.443 -15.810 -8.547 539 HG11 VAL 68 1HG1 VAL 68 23.011 -15.557 -10.942 540 HG12 VAL 68 2HG1 VAL 68 21.564 -15.212 -9.963 541 HG13 VAL 68 3HG1 VAL 68 22.500 -13.874 -10.671 542 HG21 VAL 68 1HG2 VAL 68 25.269 -15.065 -10.041 543 HG22 VAL 68 2HG2 VAL 68 24.827 -13.368 -9.735 544 HG23 VAL 68 3HG2 VAL 68 25.453 -14.379 -8.410 545 H VAL 69 H VAL 69 24.802 -12.355 -7.304 546 HA VAL 69 HA VAL 69 25.322 -13.556 -4.695 547 HB VAL 69 HB VAL 69 26.263 -10.961 -5.985 548 HG11 VAL 69 1HG1 VAL 69 27.904 -10.835 -4.174 549 HG12 VAL 69 2HG1 VAL 69 26.234 -10.710 -3.570 550 HG13 VAL 69 3HG1 VAL 69 27.139 -12.233 -3.383 551 HG21 VAL 69 1HG2 VAL 69 28.401 -12.191 -6.191 552 HG22 VAL 69 2HG2 VAL 69 27.642 -13.628 -5.466 553 HG23 VAL 69 3HG2 VAL 69 27.088 -13.033 -7.049 554 H LYS 70 H LYS 70 24.282 -13.175 -2.870 555 HA LYS 70 HA LYS 70 22.875 -10.582 -2.527 556 HB2 LYS 70 1HB LYS 70 21.199 -12.185 -3.406 557 HB3 LYS 70 2HB LYS 70 21.577 -13.304 -2.103 558 HG2 LYS 70 1HG LYS 70 20.855 -11.498 -0.476 559 HG3 LYS 70 2HG LYS 70 20.270 -10.584 -1.873 560 HD2 LYS 70 1HD LYS 70 18.737 -12.370 -2.473 561 HD3 LYS 70 2HD LYS 70 19.409 -13.426 -1.222 562 HE2 LYS 70 1HE LYS 70 18.701 -11.662 0.478 563 HE3 LYS 70 2HE LYS 70 17.816 -10.873 -0.831 564 HZ1 LYS 70 1HZ LYS 70 16.415 -12.342 0.422 565 HZ2 LYS 70 2HZ LYS 70 16.562 -12.898 -1.124 566 HZ3 LYS 70 3HZ LYS 70 17.388 -13.634 0.099 567 H PHE 71 H PHE 71 22.879 -9.784 -0.506 568 HA PHE 71 HA PHE 71 23.867 -11.603 1.653 569 HB2 PHE 71 1HB PHE 71 24.310 -8.618 1.273 570 HB3 PHE 71 2HB PHE 71 24.671 -9.467 2.767 571 HD1 PHE 71 HD1 PHE 71 25.509 -9.314 -0.846 572 HD2 PHE 71 HD2 PHE 71 26.680 -10.655 3.038 573 HE1 PHE 71 HE1 PHE 71 27.740 -9.908 -1.726 574 HE2 PHE 71 HE2 PHE 71 28.915 -11.247 2.161 575 HZ PHE 71 HZ PHE 71 29.444 -10.875 -0.223 576 H ASN 72 H ASN 72 23.374 -9.874 3.796 577 HA ASN 72 HA ASN 72 20.784 -10.858 4.399 578 HB2 ASN 72 1HB ASN 72 22.523 -8.775 5.745 579 HB3 ASN 72 2HB ASN 72 20.975 -9.286 6.404 580 HD21 ASN 72 1HD2 ASN 72 23.720 -11.280 7.924 581 HD22 ASN 72 2HD2 ASN 72 23.375 -9.590 7.766 582 H SER 73 H SER 73 21.790 -7.902 2.892 583 HA SER 73 HA SER 73 18.990 -7.179 2.438 584 HB2 SER 73 1HB SER 73 19.065 -5.014 3.462 585 HB3 SER 73 2HB SER 73 19.528 -6.190 4.681 586 HG SER 73 HG SER 73 21.352 -5.287 4.822 587 H LEU 74 H LEU 74 18.751 -5.389 0.931 588 HA LEU 74 HA LEU 74 20.539 -5.245 -1.213 589 HB2 LEU 74 1HB LEU 74 18.283 -4.338 -1.325 590 HB3 LEU 74 2HB LEU 74 18.672 -3.115 -0.112 591 HG LEU 74 HG LEU 74 20.312 -2.115 -1.732 592 HD11 LEU 74 1HD1 LEU 74 20.161 -2.797 -4.086 593 HD12 LEU 74 2HD1 LEU 74 20.741 -4.124 -3.053 594 HD13 LEU 74 3HD1 LEU 74 19.059 -4.118 -3.632 595 HD21 LEU 74 1HD2 LEU 74 18.559 -1.104 -3.152 596 HD22 LEU 74 2HD2 LEU 74 17.433 -2.402 -2.685 597 HD23 LEU 74 3HD2 LEU 74 18.014 -1.245 -1.463 598 H ASN 75 H ASN 75 20.446 -3.260 1.743 599 HA ASN 75 HA ASN 75 22.461 -1.410 0.958 600 HB2 ASN 75 1HB ASN 75 21.520 -2.370 3.672 601 HB3 ASN 75 2HB ASN 75 22.754 -1.132 3.485 602 HD21 ASN 75 1HD2 ASN 75 19.397 0.439 3.855 603 HD22 ASN 75 2HD2 ASN 75 20.317 -0.705 4.773 604 H GLU 76 H GLU 76 22.666 -4.626 2.382 605 HA GLU 76 HA GLU 76 25.457 -4.415 3.089 606 HB2 GLU 76 1HB GLU 76 23.575 -6.772 2.724 607 HB3 GLU 76 2HB GLU 76 25.264 -6.978 3.165 608 HG2 GLU 76 1HG GLU 76 23.293 -5.325 4.756 609 HG3 GLU 76 2HG GLU 76 23.649 -7.022 5.069 610 H LEU 77 H LEU 77 23.700 -5.638 0.250 611 HA LEU 77 HA LEU 77 26.048 -6.995 -0.789 612 HB2 LEU 77 1HB LEU 77 24.657 -7.715 -2.553 613 HB3 LEU 77 2HB LEU 77 23.606 -7.663 -1.133 614 HG LEU 77 HG LEU 77 23.026 -5.240 -2.076 615 HD11 LEU 77 1HD1 LEU 77 23.032 -5.233 -4.530 616 HD12 LEU 77 2HD1 LEU 77 24.682 -5.314 -3.870 617 HD13 LEU 77 3HD1 LEU 77 23.914 -6.777 -4.533 618 HD21 LEU 77 1HD2 LEU 77 21.135 -6.290 -3.270 619 HD22 LEU 77 2HD2 LEU 77 21.991 -7.851 -3.255 620 HD23 LEU 77 3HD2 LEU 77 21.455 -7.115 -1.726 621 H VAL 78 H VAL 78 24.478 -3.888 -1.291 622 HA VAL 78 HA VAL 78 26.069 -3.168 -3.605 623 HB VAL 78 HB VAL 78 25.215 -0.893 -3.204 624 HG11 VAL 78 1HG1 VAL 78 22.819 -1.362 -3.360 625 HG12 VAL 78 2HG1 VAL 78 23.783 -2.478 -4.357 626 HG13 VAL 78 3HG1 VAL 78 23.110 -3.027 -2.804 627 HG21 VAL 78 1HG2 VAL 78 23.759 -0.446 -1.254 628 HG22 VAL 78 2HG2 VAL 78 24.087 -2.083 -0.636 629 HG23 VAL 78 3HG2 VAL 78 25.404 -0.890 -0.741 630 H ASP 79 H ASP 79 26.459 -2.964 -0.115 631 HA ASP 79 HA ASP 79 28.859 -1.348 -0.213 632 HB2 ASP 79 1HB ASP 79 27.422 -1.683 1.836 633 HB3 ASP 79 2HB ASP 79 28.000 -3.341 1.922 634 H TYR 80 H TYR 80 28.225 -4.863 -0.030 635 HA TYR 80 HA TYR 80 30.889 -5.757 -0.306 636 HB2 TYR 80 1HB TYR 80 29.085 -7.328 0.103 637 HB3 TYR 80 2HB TYR 80 28.289 -6.892 -1.403 638 HD1 TYR 80 HD1 TYR 80 31.383 -8.437 -0.018 639 HD2 TYR 80 HD2 TYR 80 28.782 -8.006 -3.403 640 HE1 TYR 80 HE1 TYR 80 32.604 -10.241 -1.186 641 HE2 TYR 80 HE2 TYR 80 30.003 -9.810 -4.571 642 HH TYR 80 HH TYR 80 31.685 -11.251 -4.481 643 H HIS 81 H HIS 81 28.538 -4.876 -2.848 644 HA HIS 81 HA HIS 81 30.607 -5.144 -4.928 645 HB2 HIS 81 1HB HIS 81 27.698 -4.279 -4.991 646 HB3 HIS 81 2HB HIS 81 28.739 -4.256 -6.408 647 HD2 HIS 81 HD2 HIS 81 26.320 -6.742 -4.722 648 HE1 HIS 81 HE1 HIS 81 29.060 -9.018 -7.037 649 H ARG 82 H ARG 82 30.187 -2.908 -2.611 650 HA ARG 82 HA ARG 82 30.986 -0.634 -4.303 651 HB2 ARG 82 1HB ARG 82 29.703 -0.229 -2.238 652 HB3 ARG 82 2HB ARG 82 30.976 -0.976 -1.285 653 HG2 ARG 82 1HG ARG 82 32.521 0.802 -1.858 654 HG3 ARG 82 2HG ARG 82 31.319 1.529 -2.951 655 HD2 ARG 82 1HD ARG 82 31.347 2.712 -0.876 656 HD3 ARG 82 2HD ARG 82 29.815 1.820 -1.029 657 HE ARG 82 HE ARG 82 30.407 0.497 0.762 658 HH11 ARG 82 1HH1 ARG 82 33.176 2.399 -0.268 659 HH12 ARG 82 2HH1 ARG 82 34.132 1.998 1.140 660 HH21 ARG 82 1HH2 ARG 82 31.659 -0.016 2.585 661 HH22 ARG 82 2HH2 ARG 82 33.275 0.630 2.755 662 H SER 83 H SER 83 32.465 -2.875 -1.952 663 HA SER 83 HA SER 83 35.124 -1.735 -2.405 664 HB2 SER 83 1HB SER 83 35.882 -3.360 -0.798 665 HB3 SER 83 2HB SER 83 34.394 -2.641 -0.200 666 HG SER 83 HG SER 83 33.771 -4.697 -1.721 667 H THR 84 H THR 84 33.151 -4.202 -3.787 668 HA THR 84 HA THR 84 35.489 -5.108 -5.401 669 HB THR 84 HB THR 84 33.333 -6.926 -4.240 670 HG1 THR 84 HG1 THR 84 35.907 -6.217 -3.462 671 HG21 THR 84 1HG2 THR 84 34.650 -8.737 -5.270 672 HG22 THR 84 2HG2 THR 84 34.056 -7.601 -6.505 673 HG23 THR 84 3HG2 THR 84 35.754 -7.536 -5.980 674 H SER 85 H SER 85 35.125 -5.515 -7.529 675 HA SER 85 HA SER 85 32.940 -4.160 -8.761 676 HB2 SER 85 1HB SER 85 33.813 -4.983 -10.831 677 HB3 SER 85 2HB SER 85 35.183 -4.623 -9.792 678 HG SER 85 HG SER 85 34.661 -6.835 -10.983 679 H VAL 86 H VAL 86 31.257 -4.998 -10.098 680 HA VAL 86 HA VAL 86 29.902 -7.278 -8.898 681 HB VAL 86 HB VAL 86 28.108 -6.780 -10.482 682 HG11 VAL 86 1HG1 VAL 86 27.651 -4.453 -9.877 683 HG12 VAL 86 2HG1 VAL 86 28.264 -5.393 -8.496 684 HG13 VAL 86 3HG1 VAL 86 29.339 -4.260 -9.349 685 HG21 VAL 86 1HG2 VAL 86 28.386 -5.004 -12.182 686 HG22 VAL 86 2HG2 VAL 86 30.097 -4.834 -11.723 687 HG23 VAL 86 3HG2 VAL 86 29.519 -6.346 -12.464 688 H SER 87 H SER 87 32.244 -6.905 -11.321 689 HA SER 87 HA SER 87 31.995 -9.683 -12.156 690 HB2 SER 87 1HB SER 87 30.300 -8.785 -13.614 691 HB3 SER 87 2HB SER 87 31.328 -7.439 -14.081 692 HG SER 87 HG SER 87 31.116 -9.701 -15.252 693 H ARG 88 H ARG 88 33.767 -10.419 -13.402 694 HA ARG 88 HA ARG 88 36.230 -8.967 -12.992 695 HB2 ARG 88 1HB ARG 88 35.555 -11.424 -14.638 696 HB3 ARG 88 2HB ARG 88 37.184 -10.783 -14.483 697 HG2 ARG 88 1HG ARG 88 37.128 -11.163 -12.065 698 HG3 ARG 88 2HG ARG 88 35.462 -11.780 -12.198 699 HD2 ARG 88 1HD ARG 88 36.239 -13.561 -13.652 700 HD3 ARG 88 2HD ARG 88 37.903 -12.945 -13.520 701 HE ARG 88 HE ARG 88 36.992 -13.347 -10.913 702 HH11 ARG 88 1HH1 ARG 88 37.579 -15.280 -13.787 703 HH12 ARG 88 2HH1 ARG 88 37.963 -16.730 -12.887 704 HH21 ARG 88 1HH2 ARG 88 37.493 -15.235 -9.755 705 HH22 ARG 88 2HH2 ARG 88 37.915 -16.705 -10.604 706 H ASN 89 H ASN 89 33.840 -9.051 -15.506 707 HA ASN 89 HA ASN 89 35.734 -7.650 -17.348 708 HB2 ASN 89 1HB ASN 89 33.318 -9.372 -17.997 709 HB3 ASN 89 2HB ASN 89 34.241 -8.456 -19.180 710 HD21 ASN 89 1HD2 ASN 89 35.464 -12.079 -17.985 711 HD22 ASN 89 2HD2 ASN 89 33.951 -11.373 -17.525 712 H GLN 90 H GLN 90 32.416 -7.742 -16.096 713 HA GLN 90 HA GLN 90 31.924 -5.070 -17.291 714 HB2 GLN 90 1HB GLN 90 30.017 -6.859 -15.732 715 HB3 GLN 90 2HB GLN 90 29.594 -5.410 -16.632 716 HG2 GLN 90 1HG GLN 90 30.217 -6.492 -18.729 717 HG3 GLN 90 2HG GLN 90 30.699 -7.958 -17.830 718 HE21 GLN 90 1HE2 GLN 90 26.954 -7.567 -19.094 719 HE22 GLN 90 2HE2 GLN 90 28.317 -6.682 -19.692 720 H GLN 91 H GLN 91 33.475 -3.967 -15.870 721 HA GLN 91 HA GLN 91 33.344 -4.724 -13.043 722 HB2 GLN 91 1HB GLN 91 35.214 -2.845 -14.541 723 HB3 GLN 91 2HB GLN 91 35.389 -3.295 -12.851 724 HG2 GLN 91 1HG GLN 91 35.715 -5.630 -13.472 725 HG3 GLN 91 2HG GLN 91 35.486 -5.208 -15.192 726 HE21 GLN 91 1HE2 GLN 91 39.083 -5.374 -14.884 727 HE22 GLN 91 2HE2 GLN 91 37.699 -6.409 -15.017 728 H ILE 92 H ILE 92 31.057 -3.679 -13.115 729 HA ILE 92 HA ILE 92 31.081 -0.814 -12.559 730 HB ILE 92 HB ILE 92 28.925 -2.867 -11.910 731 HG12 ILE 92 1HG1 ILE 92 29.674 -2.775 -14.336 732 HG13 ILE 92 2HG1 ILE 92 27.967 -2.524 -14.011 733 HG21 ILE 92 1HG2 ILE 92 27.437 -0.906 -11.964 734 HG22 ILE 92 2HG2 ILE 92 28.699 -0.716 -10.725 735 HG23 ILE 92 3HG2 ILE 92 28.836 0.151 -12.272 736 HD11 ILE 92 1HD1 ILE 92 28.777 -0.965 -15.691 737 HD12 ILE 92 2HD1 ILE 92 28.270 -0.094 -14.224 738 HD13 ILE 92 3HD1 ILE 92 30.000 -0.348 -14.556 739 H PHE 93 H PHE 93 31.252 0.215 -10.644 740 HA PHE 93 HA PHE 93 31.089 -1.480 -8.186 741 HB2 PHE 93 1HB PHE 93 32.530 1.161 -8.641 742 HB3 PHE 93 2HB PHE 93 32.316 0.420 -7.062 743 HD1 PHE 93 HD1 PHE 93 33.908 0.018 -10.374 744 HD2 PHE 93 HD2 PHE 93 33.678 -1.389 -6.347 745 HE1 PHE 93 HE1 PHE 93 35.965 -1.310 -10.722 746 HE2 PHE 93 HE2 PHE 93 35.736 -2.716 -6.690 747 HZ PHE 93 HZ PHE 93 36.878 -2.676 -8.880 748 H LEU 94 H LEU 94 29.823 -0.806 -6.473 749 HA LEU 94 HA LEU 94 27.922 1.407 -7.115 750 HB2 LEU 94 1HB LEU 94 27.569 -0.911 -5.182 751 HB3 LEU 94 2HB LEU 94 26.363 0.322 -5.567 752 HG LEU 94 HG LEU 94 27.389 -1.896 -7.361 753 HD11 LEU 94 1HD1 LEU 94 25.014 -2.516 -7.390 754 HD12 LEU 94 2HD1 LEU 94 25.670 -2.503 -5.736 755 HD13 LEU 94 3HD1 LEU 94 24.646 -1.159 -6.299 756 HD21 LEU 94 1HD2 LEU 94 25.929 -0.924 -9.103 757 HD22 LEU 94 2HD2 LEU 94 25.573 0.455 -8.036 758 HD23 LEU 94 3HD2 LEU 94 27.226 0.207 -8.650 759 H ARG 95 H ARG 95 28.596 3.229 -6.204 760 HA ARG 95 HA ARG 95 29.785 3.052 -3.469 761 HB2 ARG 95 1HB ARG 95 30.261 5.037 -5.713 762 HB3 ARG 95 2HB ARG 95 30.842 5.273 -4.072 763 HG2 ARG 95 1HG ARG 95 32.193 3.227 -4.245 764 HG3 ARG 95 2HG ARG 95 31.604 2.988 -5.907 765 HD2 ARG 95 1HD ARG 95 32.558 5.149 -6.531 766 HD3 ARG 95 2HD ARG 95 33.191 5.328 -4.878 767 HE ARG 95 HE ARG 95 34.098 2.863 -5.843 768 HH11 ARG 95 1HH1 ARG 95 34.459 6.271 -6.616 769 HH12 ARG 95 2HH1 ARG 95 36.069 6.080 -7.273 770 HH21 ARG 95 1HH2 ARG 95 36.188 2.627 -6.698 771 HH22 ARG 95 2HH2 ARG 95 37.048 4.019 -7.319 772 H ASP 96 H ASP 96 29.266 4.634 -1.930 773 HA ASP 96 HA ASP 96 26.599 5.846 -2.324 774 HB2 ASP 96 1HB ASP 96 28.395 5.547 0.112 775 HB3 ASP 96 2HB ASP 96 26.879 6.438 0.137 Start of MODEL 15 1 H1 MET 1 1H MET 1 -1.920 2.883 -2.763 2 H2 MET 1 2H MET 1 -1.493 4.308 -2.091 3 H3 MET 1 3H MET 1 -1.087 3.981 -3.637 4 HA MET 1 HA MET 1 -0.105 2.607 -1.266 5 HB2 MET 1 1HB MET 1 -0.345 1.108 -3.222 6 HB3 MET 1 2HB MET 1 0.580 2.230 -4.210 7 HG2 MET 1 1HG MET 1 2.571 1.842 -2.867 8 HG3 MET 1 2HG MET 1 1.660 0.818 -1.753 9 HE1 MET 1 1HE MET 1 4.072 -1.624 -3.753 10 HE2 MET 1 2HE MET 1 4.407 0.083 -3.365 11 HE3 MET 1 3HE MET 1 3.653 -0.977 -2.147 12 H LYS 2 H LYS 2 0.820 4.277 -0.219 13 HA LYS 2 HA LYS 2 2.326 6.351 -1.505 14 HB2 LYS 2 1HB LYS 2 1.386 6.535 0.792 15 HB3 LYS 2 2HB LYS 2 2.520 5.314 1.352 16 HG2 LYS 2 1HG LYS 2 4.408 6.790 0.812 17 HG3 LYS 2 2HG LYS 2 3.285 8.014 0.202 18 HD2 LYS 2 1HD LYS 2 2.241 8.181 2.434 19 HD3 LYS 2 2HD LYS 2 3.346 6.941 3.048 20 HE2 LYS 2 1HE LYS 2 5.275 8.400 2.527 21 HE3 LYS 2 2HE LYS 2 4.176 9.637 1.910 22 HZ1 LYS 2 1HZ LYS 2 4.827 10.079 4.161 23 HZ2 LYS 2 2HZ LYS 2 3.206 9.786 4.099 24 HZ3 LYS 2 3HZ LYS 2 4.232 8.631 4.677 25 HA PRO 3 HA PRO 3 5.889 4.010 -2.438 26 HB2 PRO 3 1HB PRO 3 7.431 6.021 -3.473 27 HB3 PRO 3 2HB PRO 3 6.022 5.388 -4.333 28 HG2 PRO 3 1HG PRO 3 6.225 7.863 -2.563 29 HG3 PRO 3 2HG PRO 3 5.519 7.729 -4.176 30 HD2 PRO 3 1HD PRO 3 3.968 7.624 -1.936 31 HD3 PRO 3 2HD PRO 3 3.577 6.640 -3.403 32 H HIS 4 H HIS 4 8.281 4.074 -1.940 33 HA HIS 4 HA HIS 4 8.696 4.613 0.869 34 HB2 HIS 4 1HB HIS 4 10.540 3.759 -1.381 35 HB3 HIS 4 2HB HIS 4 11.123 4.043 0.253 36 HD2 HIS 4 HD2 HIS 4 8.808 1.487 -1.651 37 HE1 HIS 4 HE1 HIS 4 9.779 -0.091 2.188 38 HA PRO 5 HA PRO 5 10.122 8.748 0.539 39 HB2 PRO 5 1HB PRO 5 11.046 9.074 3.089 40 HB3 PRO 5 2HB PRO 5 9.316 8.970 2.736 41 HG2 PRO 5 1HG PRO 5 11.204 6.784 3.707 42 HG3 PRO 5 2HG PRO 5 9.601 7.200 4.322 43 HD2 PRO 5 1HD PRO 5 9.984 5.156 2.538 44 HD3 PRO 5 2HD PRO 5 8.478 6.160 2.541 45 H TRP 6 H TRP 6 11.974 5.922 1.024 46 HA TRP 6 HA TRP 6 14.551 6.964 1.594 47 HB2 TRP 6 1HB TRP 6 13.720 4.482 0.043 48 HB3 TRP 6 2HB TRP 6 15.373 4.827 0.526 49 HD1 TRP 6 HD1 TRP 6 12.369 3.057 1.703 50 HE1 TRP 6 HE1 TRP 6 12.568 2.415 4.200 51 HE3 TRP 6 HE3 TRP 6 16.385 5.993 2.955 52 HZ2 TRP 6 HZ2 TRP 6 14.223 3.078 6.389 53 HZ3 TRP 6 HZ3 TRP 6 17.226 5.943 5.268 54 HH2 TRP 6 HH2 TRP 6 16.168 4.508 6.963 55 H PHE 7 H PHE 7 16.232 7.679 0.373 56 HA PHE 7 HA PHE 7 17.123 8.978 -1.312 57 HB2 PHE 7 1HB PHE 7 16.055 6.535 -2.638 58 HB3 PHE 7 2HB PHE 7 16.396 7.886 -3.709 59 HD1 PHE 7 HD1 PHE 7 17.856 5.503 -1.312 60 HD2 PHE 7 HD2 PHE 7 18.641 8.602 -4.146 61 HE1 PHE 7 HE1 PHE 7 20.255 4.906 -1.297 62 HE2 PHE 7 HE2 PHE 7 21.041 8.005 -4.136 63 HZ PHE 7 HZ PHE 7 21.847 6.158 -2.708 64 H PHE 8 H PHE 8 14.603 8.094 -3.555 65 HA PHE 8 HA PHE 8 13.510 10.860 -3.343 66 HB2 PHE 8 1HB PHE 8 14.559 9.510 -5.861 67 HB3 PHE 8 2HB PHE 8 13.598 10.981 -5.862 68 HD1 PHE 8 HD1 PHE 8 16.836 9.506 -4.891 69 HD2 PHE 8 HD2 PHE 8 14.549 13.093 -5.282 70 HE1 PHE 8 HE1 PHE 8 18.893 10.847 -4.606 71 HE2 PHE 8 HE2 PHE 8 16.604 14.437 -5.000 72 HZ PHE 8 HZ PHE 8 18.777 13.313 -4.659 73 H GLY 9 H GLY 9 12.715 7.839 -2.950 74 HA2 GLY 9 1HA GLY 9 10.858 6.500 -3.322 75 HA3 GLY 9 2HA GLY 9 9.969 7.990 -3.575 76 H LYS 10 H LYS 10 8.833 7.826 -5.401 77 HA LYS 10 HA LYS 10 9.851 6.281 -7.679 78 HB2 LYS 10 1HB LYS 10 7.296 7.866 -7.226 79 HB3 LYS 10 2HB LYS 10 7.671 7.055 -8.740 80 HG2 LYS 10 1HG LYS 10 7.676 4.889 -7.647 81 HG3 LYS 10 2HG LYS 10 7.471 5.650 -6.063 82 HD2 LYS 10 1HD LYS 10 5.273 6.466 -6.660 83 HD3 LYS 10 2HD LYS 10 5.487 5.957 -8.342 84 HE2 LYS 10 1HE LYS 10 5.566 3.604 -7.646 85 HE3 LYS 10 2HE LYS 10 5.433 4.080 -5.951 86 HZ1 LYS 10 1HZ LYS 10 3.327 3.410 -6.848 87 HZ2 LYS 10 2HZ LYS 10 3.275 5.008 -6.442 88 HZ3 LYS 10 3HZ LYS 10 3.399 4.561 -8.025 89 H ILE 11 H ILE 11 11.731 8.078 -7.390 90 HA ILE 11 HA ILE 11 11.383 10.351 -9.129 91 HB ILE 11 HB ILE 11 13.322 9.905 -7.482 92 HG12 ILE 11 1HG1 ILE 11 13.926 10.819 -10.304 93 HG13 ILE 11 2HG1 ILE 11 13.239 11.806 -9.024 94 HG21 ILE 11 1HG2 ILE 11 15.265 8.742 -8.448 95 HG22 ILE 11 2HG2 ILE 11 13.876 7.642 -8.285 96 HG23 ILE 11 3HG2 ILE 11 14.300 8.310 -9.879 97 HD11 ILE 11 1HD1 ILE 11 15.615 12.242 -9.288 98 HD12 ILE 11 2HD1 ILE 11 15.284 11.525 -7.693 99 HD13 ILE 11 3HD1 ILE 11 15.982 10.527 -8.990 100 HA PRO 12 HA PRO 12 11.444 8.302 -13.056 101 HB2 PRO 12 1HB PRO 12 12.090 10.456 -14.613 102 HB3 PRO 12 2HB PRO 12 10.482 10.272 -13.901 103 HG2 PRO 12 1HG PRO 12 12.857 11.878 -12.848 104 HG3 PRO 12 2HG PRO 12 11.199 12.431 -13.099 105 HD2 PRO 12 1HD PRO 12 12.018 11.644 -10.647 106 HD3 PRO 12 2HD PRO 12 10.356 11.235 -11.234 107 H ARG 13 H ARG 13 13.049 7.364 -14.293 108 HA ARG 13 HA ARG 13 15.767 7.403 -13.552 109 HB2 ARG 13 1HB ARG 13 14.515 5.766 -15.097 110 HB3 ARG 13 2HB ARG 13 14.809 6.925 -16.384 111 HG2 ARG 13 1HG ARG 13 17.235 6.258 -14.880 112 HG3 ARG 13 2HG ARG 13 16.465 4.858 -15.665 113 HD2 ARG 13 1HD ARG 13 17.300 7.438 -16.965 114 HD3 ARG 13 2HD ARG 13 18.055 5.839 -17.150 115 HE ARG 13 HE ARG 13 15.376 5.548 -17.871 116 HH11 ARG 13 1HH1 ARG 13 18.179 7.361 -18.964 117 HH12 ARG 13 2HH1 ARG 13 17.662 7.393 -20.636 118 HH21 ARG 13 1HH2 ARG 13 14.716 5.597 -20.044 119 HH22 ARG 13 2HH2 ARG 13 15.702 6.396 -21.247 120 H ALA 14 H ALA 14 13.997 9.418 -15.878 121 HA ALA 14 HA ALA 14 15.951 10.910 -17.076 122 HB1 ALA 14 1HB ALA 14 14.453 12.868 -16.883 123 HB2 ALA 14 2HB ALA 14 13.556 11.392 -17.308 124 HB3 ALA 14 3HB ALA 14 13.509 12.014 -15.642 125 H LYS 15 H LYS 15 14.705 11.694 -13.797 126 HA LYS 15 HA LYS 15 16.588 13.869 -13.569 127 HB2 LYS 15 1HB LYS 15 14.245 13.576 -12.454 128 HB3 LYS 15 2HB LYS 15 15.100 12.633 -11.240 129 HG2 LYS 15 1HG LYS 15 14.917 14.842 -10.398 130 HG3 LYS 15 2HG LYS 15 16.607 14.631 -10.878 131 HD2 LYS 15 1HD LYS 15 16.084 15.755 -13.055 132 HD3 LYS 15 2HD LYS 15 14.439 16.049 -12.470 133 HE2 LYS 15 1HE LYS 15 15.259 17.435 -10.663 134 HE3 LYS 15 2HE LYS 15 16.933 17.010 -11.025 135 HZ1 LYS 15 1HZ LYS 15 16.359 19.153 -11.901 136 HZ2 LYS 15 2HZ LYS 15 16.695 18.118 -13.140 137 HZ3 LYS 15 3HZ LYS 15 15.132 18.516 -12.801 138 H ALA 16 H ALA 16 16.482 10.546 -12.368 139 HA ALA 16 HA ALA 16 18.501 10.840 -10.386 140 HB1 ALA 16 1HB ALA 16 18.671 8.374 -10.491 141 HB2 ALA 16 2HB ALA 16 16.976 8.919 -10.450 142 HB3 ALA 16 3HB ALA 16 17.702 8.380 -11.982 143 H GLU 17 H GLU 17 18.679 9.975 -13.825 144 HA GLU 17 HA GLU 17 21.539 9.529 -13.779 145 HB2 GLU 17 1HB GLU 17 19.605 10.088 -16.063 146 HB3 GLU 17 2HB GLU 17 21.302 9.691 -16.290 147 HG2 GLU 17 1HG GLU 17 20.858 7.539 -15.030 148 HG3 GLU 17 2HG GLU 17 19.144 7.937 -15.117 149 H GLU 18 H GLU 18 19.442 12.278 -14.613 150 HA GLU 18 HA GLU 18 21.441 14.055 -15.521 151 HB2 GLU 18 1HB GLU 18 19.046 14.554 -15.704 152 HB3 GLU 18 2HB GLU 18 18.893 14.629 -13.955 153 HG2 GLU 18 1HG GLU 18 20.417 16.578 -13.922 154 HG3 GLU 18 2HG GLU 18 20.515 16.513 -15.679 155 H MET 19 H MET 19 20.255 13.459 -12.207 156 HA MET 19 HA MET 19 21.891 15.420 -10.946 157 HB2 MET 19 1HB MET 19 20.513 12.901 -10.007 158 HB3 MET 19 2HB MET 19 21.575 13.783 -8.918 159 HG2 MET 19 1HG MET 19 20.177 15.833 -9.323 160 HG3 MET 19 2HG MET 19 19.062 14.825 -10.250 161 HE1 MET 19 1HE MET 19 17.261 12.679 -7.691 162 HE2 MET 19 2HE MET 19 17.183 13.496 -9.271 163 HE3 MET 19 3HE MET 19 18.433 12.266 -8.965 164 H LEU 20 H LEU 20 22.459 11.976 -11.636 165 HA LEU 20 HA LEU 20 24.936 11.786 -10.243 166 HB2 LEU 20 1HB LEU 20 23.856 10.254 -12.633 167 HB3 LEU 20 2HB LEU 20 25.336 9.817 -11.772 168 HG LEU 20 HG LEU 20 22.578 9.913 -10.500 169 HD11 LEU 20 1HD1 LEU 20 22.674 7.464 -10.622 170 HD12 LEU 20 2HD1 LEU 20 22.695 8.204 -12.240 171 HD13 LEU 20 3HD1 LEU 20 24.199 7.569 -11.532 172 HD21 LEU 20 1HD2 LEU 20 23.714 8.676 -8.687 173 HD22 LEU 20 2HD2 LEU 20 25.256 8.799 -9.570 174 HD23 LEU 20 3HD2 LEU 20 24.468 10.268 -8.946 175 H SER 21 H SER 21 24.123 12.833 -13.520 176 HA SER 21 HA SER 21 26.892 12.930 -14.397 177 HB2 SER 21 1HB SER 21 26.013 13.949 -16.399 178 HB3 SER 21 2HB SER 21 24.962 12.619 -15.939 179 HG SER 21 HG SER 21 23.885 14.466 -14.701 180 H LYS 22 H LYS 22 25.102 14.828 -12.292 181 HA LYS 22 HA LYS 22 26.883 17.165 -12.779 182 HB2 LYS 22 1HB LYS 22 24.461 16.822 -10.967 183 HB3 LYS 22 2HB LYS 22 25.459 18.269 -11.012 184 HG2 LYS 22 1HG LYS 22 24.871 18.612 -13.381 185 HG3 LYS 22 2HG LYS 22 23.875 17.150 -13.344 186 HD2 LYS 22 1HD LYS 22 22.453 18.151 -11.590 187 HD3 LYS 22 2HD LYS 22 23.457 19.609 -11.603 188 HE2 LYS 22 1HE LYS 22 22.855 20.032 -13.946 189 HE3 LYS 22 2HE LYS 22 21.906 18.545 -13.992 190 HZ1 LYS 22 1HZ LYS 22 20.530 20.458 -13.628 191 HZ2 LYS 22 2HZ LYS 22 20.475 19.475 -12.305 192 HZ3 LYS 22 3HZ LYS 22 21.361 20.865 -12.264 193 H GLN 23 H GLN 23 26.291 14.490 -10.619 194 HA GLN 23 HA GLN 23 28.068 15.385 -8.527 195 HB2 GLN 23 1HB GLN 23 27.167 12.592 -9.338 196 HB3 GLN 23 2HB GLN 23 28.095 12.953 -7.889 197 HG2 GLN 23 1HG GLN 23 25.358 14.086 -8.502 198 HG3 GLN 23 2HG GLN 23 25.685 12.668 -7.467 199 HE21 GLN 23 1HE2 GLN 23 25.516 16.185 -5.752 200 HE22 GLN 23 2HE2 GLN 23 24.704 15.672 -7.193 201 H ARG 24 H ARG 24 28.477 13.468 -11.486 202 HA ARG 24 HA ARG 24 30.371 12.822 -12.620 203 HB2 ARG 24 1HB ARG 24 31.917 14.884 -11.039 204 HB3 ARG 24 2HB ARG 24 32.233 14.296 -12.664 205 HG2 ARG 24 1HG ARG 24 29.901 16.037 -11.827 206 HG3 ARG 24 2HG ARG 24 31.353 16.553 -12.719 207 HD2 ARG 24 1HD ARG 24 29.350 14.517 -13.664 208 HD3 ARG 24 2HD ARG 24 29.422 16.220 -14.169 209 HE ARG 24 HE ARG 24 31.943 14.952 -14.578 210 HH11 ARG 24 1HH1 ARG 24 28.685 15.112 -15.880 211 HH12 ARG 24 2HH1 ARG 24 29.181 14.703 -17.507 212 HH21 ARG 24 1HH2 ARG 24 32.575 14.421 -16.693 213 HH22 ARG 24 2HH2 ARG 24 31.383 14.311 -17.968 214 H HIS 25 H HIS 25 29.703 11.675 -9.950 215 HA HIS 25 HA HIS 25 32.426 10.801 -9.076 216 HB2 HIS 25 1HB HIS 25 30.984 11.708 -7.297 217 HB3 HIS 25 2HB HIS 25 29.729 10.543 -7.696 218 HD2 HIS 25 HD2 HIS 25 29.964 9.202 -5.110 219 HE1 HIS 25 HE1 HIS 25 33.938 7.898 -5.851 220 H ASP 26 H ASP 26 32.913 9.307 -10.646 221 HA ASP 26 HA ASP 26 31.276 7.189 -11.522 222 HB2 ASP 26 1HB ASP 26 33.396 7.592 -12.597 223 HB3 ASP 26 2HB ASP 26 34.281 7.353 -11.096 224 H GLY 27 H GLY 27 30.496 5.399 -10.651 225 HA2 GLY 27 1HA GLY 27 30.716 3.457 -9.194 226 HA3 GLY 27 2HA GLY 27 31.668 4.423 -8.083 227 H ALA 28 H ALA 28 29.745 6.742 -8.501 228 HA ALA 28 HA ALA 28 28.002 6.188 -6.299 229 HB1 ALA 28 1HB ALA 28 26.975 8.369 -6.850 230 HB2 ALA 28 2HB ALA 28 28.753 8.461 -6.841 231 HB3 ALA 28 3HB ALA 28 27.873 8.394 -8.385 232 H PHE 29 H PHE 29 25.619 6.438 -6.358 233 HA PHE 29 HA PHE 29 24.300 5.465 -8.789 234 HB2 PHE 29 1HB PHE 29 23.428 3.403 -7.680 235 HB3 PHE 29 2HB PHE 29 25.158 3.351 -7.973 236 HD1 PHE 29 HD1 PHE 29 22.536 3.561 -5.426 237 HD2 PHE 29 HD2 PHE 29 26.747 3.435 -6.138 238 HE1 PHE 29 HE1 PHE 29 22.923 3.052 -3.039 239 HE2 PHE 29 HE2 PHE 29 27.138 2.924 -3.751 240 HZ PHE 29 HZ PHE 29 25.224 2.734 -2.201 241 H LEU 30 H LEU 30 22.006 5.428 -8.634 242 HA LEU 30 HA LEU 30 20.932 6.688 -6.145 243 HB2 LEU 30 1HB LEU 30 21.009 8.129 -8.293 244 HB3 LEU 30 2HB LEU 30 19.732 7.070 -8.897 245 HG LEU 30 HG LEU 30 19.318 8.371 -6.229 246 HD11 LEU 30 1HD1 LEU 30 18.497 10.410 -7.322 247 HD12 LEU 30 2HD1 LEU 30 20.240 10.175 -7.594 248 HD13 LEU 30 3HD1 LEU 30 19.078 9.804 -8.891 249 HD21 LEU 30 1HD2 LEU 30 16.998 8.412 -7.076 250 HD22 LEU 30 2HD2 LEU 30 17.556 7.778 -8.643 251 HD23 LEU 30 3HD2 LEU 30 17.687 6.775 -7.178 252 H ILE 31 H ILE 31 19.630 5.396 -5.074 253 HA ILE 31 HA ILE 31 18.335 3.157 -6.536 254 HB ILE 31 HB ILE 31 18.844 3.630 -3.571 255 HG12 ILE 31 1HG1 ILE 31 19.840 1.358 -5.278 256 HG13 ILE 31 2HG1 ILE 31 20.705 2.885 -5.194 257 HG21 ILE 31 1HG2 ILE 31 17.859 1.401 -3.221 258 HG22 ILE 31 2HG2 ILE 31 16.661 2.530 -3.893 259 HG23 ILE 31 3HG2 ILE 31 17.426 1.316 -4.945 260 HD11 ILE 31 1HD1 ILE 31 21.622 1.269 -3.625 261 HD12 ILE 31 2HD1 ILE 31 20.908 2.649 -2.756 262 HD13 ILE 31 3HD1 ILE 31 20.034 1.101 -2.842 263 H ARG 32 H ARG 32 16.196 2.961 -6.778 264 HA ARG 32 HA ARG 32 14.433 4.932 -5.441 265 HB2 ARG 32 1HB ARG 32 13.584 5.846 -7.475 266 HB3 ARG 32 2HB ARG 32 15.334 5.975 -7.554 267 HG2 ARG 32 1HG ARG 32 15.336 3.867 -8.947 268 HG3 ARG 32 2HG ARG 32 13.562 4.006 -9.007 269 HD2 ARG 32 1HD ARG 32 13.801 6.249 -9.962 270 HD3 ARG 32 2HD ARG 32 15.567 6.035 -9.965 271 HE ARG 32 HE ARG 32 13.611 4.759 -11.734 272 HH11 ARG 32 1HH1 ARG 32 16.928 4.902 -10.583 273 HH12 ARG 32 2HH1 ARG 32 17.580 4.077 -11.981 274 HH21 ARG 32 1HH2 ARG 32 14.470 3.690 -13.543 275 HH22 ARG 32 2HH2 ARG 32 16.189 3.390 -13.657 276 H GLU 33 H GLU 33 12.128 4.557 -5.925 277 HA GLU 33 HA GLU 33 11.595 1.660 -6.184 278 HB2 GLU 33 1HB GLU 33 10.561 2.975 -4.326 279 HB3 GLU 33 2HB GLU 33 9.710 3.956 -5.510 280 HG2 GLU 33 1HG GLU 33 8.419 2.070 -6.255 281 HG3 GLU 33 2HG GLU 33 9.382 0.960 -5.282 282 H SER 34 H SER 34 10.615 0.701 -7.845 283 HA SER 34 HA SER 34 10.355 2.106 -10.342 284 HB2 SER 34 1HB SER 34 10.905 -0.254 -10.301 285 HB3 SER 34 2HB SER 34 9.421 -0.635 -9.440 286 HG SER 34 HG SER 34 9.857 -0.324 -12.046 287 H GLU 35 H GLU 35 8.627 2.909 -11.406 288 HA GLU 35 HA GLU 35 6.106 3.191 -9.918 289 HB2 GLU 35 1HB GLU 35 6.943 4.164 -12.680 290 HB3 GLU 35 2HB GLU 35 5.409 4.540 -11.909 291 HG2 GLU 35 1HG GLU 35 6.684 5.623 -10.044 292 HG3 GLU 35 2HG GLU 35 8.162 5.359 -10.966 293 H SER 36 H SER 36 7.421 1.342 -12.597 294 HA SER 36 HA SER 36 4.795 0.399 -13.473 295 HB2 SER 36 1HB SER 36 6.022 -0.929 -15.066 296 HB3 SER 36 2HB SER 36 6.723 0.680 -15.025 297 HG SER 36 HG SER 36 7.696 -1.331 -13.356 298 H ALA 37 H ALA 37 7.231 -0.570 -11.192 299 HA ALA 37 HA ALA 37 5.438 -2.807 -10.422 300 HB1 ALA 37 1HB ALA 37 7.391 -4.252 -9.958 301 HB2 ALA 37 2HB ALA 37 7.278 -3.829 -11.684 302 HB3 ALA 37 3HB ALA 37 8.463 -3.008 -10.641 303 HA PRO 38 HA PRO 38 6.372 0.137 -6.994 304 HB2 PRO 38 1HB PRO 38 3.622 -0.986 -6.327 305 HB3 PRO 38 2HB PRO 38 4.233 0.657 -6.103 306 HG2 PRO 38 1HG PRO 38 2.639 0.190 -8.176 307 HG3 PRO 38 2HG PRO 38 4.079 1.184 -8.422 308 HD2 PRO 38 1HD PRO 38 3.636 -1.751 -9.094 309 HD3 PRO 38 2HD PRO 38 4.467 -0.469 -10.065 310 H GLY 39 H GLY 39 7.191 -0.456 -5.022 311 HA2 GLY 39 1HA GLY 39 7.401 -1.882 -3.096 312 HA3 GLY 39 2HA GLY 39 6.656 -3.194 -3.990 313 H ASP 40 H ASP 40 8.401 -2.469 -6.387 314 HA ASP 40 HA ASP 40 10.871 -3.824 -5.422 315 HB2 ASP 40 1HB ASP 40 9.607 -3.549 -8.171 316 HB3 ASP 40 2HB ASP 40 11.259 -4.112 -7.953 317 H PHE 41 H PHE 41 12.940 -3.134 -6.225 318 HA PHE 41 HA PHE 41 12.977 -0.153 -6.436 319 HB2 PHE 41 1HB PHE 41 14.898 -2.072 -5.067 320 HB3 PHE 41 2HB PHE 41 15.255 -0.373 -5.331 321 HD1 PHE 41 HD1 PHE 41 12.066 0.168 -4.894 322 HD2 PHE 41 HD2 PHE 41 15.255 -1.573 -2.647 323 HE1 PHE 41 HE1 PHE 41 10.897 0.743 -2.793 324 HE2 PHE 41 HE2 PHE 41 14.087 -1.003 -0.544 325 HZ PHE 41 HZ PHE 41 11.908 0.157 -0.618 326 H SER 42 H SER 42 14.676 0.838 -7.648 327 HA SER 42 HA SER 42 16.279 -1.053 -9.317 328 HB2 SER 42 1HB SER 42 15.223 1.695 -10.056 329 HB3 SER 42 2HB SER 42 16.391 0.794 -11.010 330 HG SER 42 HG SER 42 14.801 -0.178 -11.830 331 H LEU 43 H LEU 43 18.440 -0.508 -9.718 332 HA LEU 43 HA LEU 43 19.488 1.760 -8.075 333 HB2 LEU 43 1HB LEU 43 20.062 -0.669 -7.360 334 HB3 LEU 43 2HB LEU 43 21.097 -0.699 -8.791 335 HG LEU 43 HG LEU 43 21.474 1.582 -6.899 336 HD11 LEU 43 1HD1 LEU 43 22.868 0.204 -5.421 337 HD12 LEU 43 2HD1 LEU 43 21.163 -0.304 -5.380 338 HD13 LEU 43 3HD1 LEU 43 22.354 -1.256 -6.298 339 HD21 LEU 43 1HD2 LEU 43 23.828 1.167 -7.532 340 HD22 LEU 43 2HD2 LEU 43 23.328 -0.281 -8.439 341 HD23 LEU 43 3HD2 LEU 43 22.796 1.331 -8.973 342 H SER 44 H SER 44 20.002 3.369 -9.379 343 HA SER 44 HA SER 44 21.095 2.734 -12.071 344 HB2 SER 44 1HB SER 44 19.816 5.169 -10.835 345 HB3 SER 44 2HB SER 44 20.795 5.318 -12.285 346 HG SER 44 HG SER 44 19.454 4.020 -13.358 347 H VAL 45 H VAL 45 23.220 2.686 -12.311 348 HA VAL 45 HA VAL 45 24.829 3.888 -10.113 349 HB VAL 45 HB VAL 45 25.042 1.461 -10.346 350 HG11 VAL 45 1HG1 VAL 45 25.920 0.436 -12.387 351 HG12 VAL 45 2HG1 VAL 45 24.358 1.243 -12.665 352 HG13 VAL 45 3HG1 VAL 45 25.869 2.018 -13.202 353 HG21 VAL 45 1HG2 VAL 45 27.490 1.317 -10.679 354 HG22 VAL 45 2HG2 VAL 45 27.479 2.928 -11.436 355 HG23 VAL 45 3HG2 VAL 45 27.054 2.748 -9.717 356 H LYS 46 H LYS 46 26.050 5.595 -10.494 357 HA LYS 46 HA LYS 46 26.499 6.553 -13.210 358 HB2 LYS 46 1HB LYS 46 26.160 8.164 -11.408 359 HB3 LYS 46 2HB LYS 46 27.524 7.512 -10.510 360 HG2 LYS 46 1HG LYS 46 28.128 9.601 -11.590 361 HG3 LYS 46 2HG LYS 46 29.062 8.267 -12.280 362 HD2 LYS 46 1HD LYS 46 27.788 8.251 -14.276 363 HD3 LYS 46 2HD LYS 46 26.479 9.196 -13.552 364 HE2 LYS 46 1HE LYS 46 27.808 10.586 -15.071 365 HE3 LYS 46 2HE LYS 46 27.965 11.162 -13.409 366 HZ1 LYS 46 1HZ LYS 46 30.074 11.089 -14.522 367 HZ2 LYS 46 2HZ LYS 46 30.067 10.012 -13.272 368 HZ3 LYS 46 3HZ LYS 46 29.920 9.475 -14.825 369 H PHE 47 H PHE 47 27.629 4.848 -14.188 370 HA PHE 47 HA PHE 47 30.435 4.528 -13.209 371 HB2 PHE 47 1HB PHE 47 29.355 2.394 -13.152 372 HB3 PHE 47 2HB PHE 47 28.597 2.644 -14.716 373 HD1 PHE 47 HD1 PHE 47 32.144 3.125 -13.639 374 HD2 PHE 47 HD2 PHE 47 29.394 0.987 -16.112 375 HE1 PHE 47 HE1 PHE 47 34.033 1.967 -14.736 376 HE2 PHE 47 HE2 PHE 47 31.279 -0.175 -17.209 377 HZ PHE 47 HZ PHE 47 33.601 0.317 -16.522 378 H GLY 48 H GLY 48 32.008 5.345 -14.404 379 HA2 GLY 48 1HA GLY 48 33.033 6.507 -16.132 380 HA3 GLY 48 2HA GLY 48 32.008 5.626 -17.248 381 H ASN 49 H ASN 49 31.248 7.170 -18.588 382 HA ASN 49 HA ASN 49 30.133 9.655 -17.382 383 HB2 ASN 49 1HB ASN 49 31.029 8.969 -20.194 384 HB3 ASN 49 2HB ASN 49 30.129 10.431 -19.811 385 HD21 ASN 49 1HD2 ASN 49 33.958 10.734 -19.660 386 HD22 ASN 49 2HD2 ASN 49 32.961 9.802 -20.727 387 H ASP 50 H ASP 50 28.889 6.879 -17.560 388 HA ASP 50 HA ASP 50 26.264 7.952 -18.431 389 HB2 ASP 50 1HB ASP 50 27.515 6.353 -20.176 390 HB3 ASP 50 2HB ASP 50 26.887 5.094 -19.122 391 H VAL 51 H VAL 51 24.508 6.223 -17.842 392 HA VAL 51 HA VAL 51 25.181 5.184 -15.121 393 HB VAL 51 HB VAL 51 22.538 6.437 -15.973 394 HG11 VAL 51 1HG1 VAL 51 22.011 6.361 -13.585 395 HG12 VAL 51 2HG1 VAL 51 22.298 4.738 -14.257 396 HG13 VAL 51 3HG1 VAL 51 23.553 5.529 -13.272 397 HG21 VAL 51 1HG2 VAL 51 23.207 8.324 -14.519 398 HG22 VAL 51 2HG2 VAL 51 24.784 7.549 -14.243 399 HG23 VAL 51 3HG2 VAL 51 24.345 8.118 -15.872 400 H GLN 52 H GLN 52 24.871 3.084 -14.898 401 HA GLN 52 HA GLN 52 23.035 1.696 -16.777 402 HB2 GLN 52 1HB GLN 52 25.100 0.628 -14.812 403 HB3 GLN 52 2HB GLN 52 24.060 -0.387 -15.801 404 HG2 GLN 52 1HG GLN 52 26.031 1.630 -16.894 405 HG3 GLN 52 2HG GLN 52 26.332 -0.122 -16.716 406 HE21 GLN 52 1HE2 GLN 52 23.832 -0.958 -19.258 407 HE22 GLN 52 2HE2 GLN 52 24.200 -1.380 -17.618 408 H HIS 53 H HIS 53 21.821 -0.205 -15.771 409 HA HIS 53 HA HIS 53 20.496 0.761 -13.265 410 HB2 HIS 53 1HB HIS 53 19.089 1.539 -15.053 411 HB3 HIS 53 2HB HIS 53 19.192 -0.001 -15.896 412 HD2 HIS 53 HD2 HIS 53 16.284 1.502 -14.441 413 HE1 HIS 53 HE1 HIS 53 16.403 -2.241 -12.436 414 H PHE 54 H PHE 54 20.732 -0.733 -11.783 415 HA PHE 54 HA PHE 54 20.682 -3.589 -12.591 416 HB2 PHE 54 1HB PHE 54 21.258 -2.330 -9.879 417 HB3 PHE 54 2HB PHE 54 21.416 -4.033 -10.278 418 HD1 PHE 54 HD1 PHE 54 22.527 -3.238 -13.176 419 HD2 PHE 54 HD2 PHE 54 23.594 -2.299 -9.147 420 HE1 PHE 54 HE1 PHE 54 24.865 -2.857 -13.885 421 HE2 PHE 54 HE2 PHE 54 25.932 -1.913 -9.853 422 HZ PHE 54 HZ PHE 54 26.567 -2.195 -12.224 423 H LYS 55 H LYS 55 19.143 -5.019 -11.986 424 HA LYS 55 HA LYS 55 16.611 -3.924 -11.003 425 HB2 LYS 55 1HB LYS 55 15.711 -6.137 -11.417 426 HB3 LYS 55 2HB LYS 55 16.697 -5.660 -12.794 427 HG2 LYS 55 1HG LYS 55 18.593 -7.010 -11.713 428 HG3 LYS 55 2HG LYS 55 17.350 -7.673 -10.640 429 HD2 LYS 55 1HD LYS 55 16.056 -8.141 -12.888 430 HD3 LYS 55 2HD LYS 55 17.663 -7.997 -13.617 431 HE2 LYS 55 1HE LYS 55 18.522 -9.754 -12.132 432 HE3 LYS 55 2HE LYS 55 16.952 -9.873 -11.332 433 HZ1 LYS 55 1HZ LYS 55 17.234 -11.574 -12.981 434 HZ2 LYS 55 2HZ LYS 55 16.005 -10.568 -13.424 435 HZ3 LYS 55 3HZ LYS 55 17.472 -10.458 -14.171 436 H VAL 56 H VAL 56 16.066 -3.719 -8.971 437 HA VAL 56 HA VAL 56 17.454 -5.451 -6.970 438 HB VAL 56 HB VAL 56 16.128 -2.744 -6.523 439 HG11 VAL 56 1HG1 VAL 56 17.279 -2.806 -4.365 440 HG12 VAL 56 2HG1 VAL 56 16.133 -4.155 -4.549 441 HG13 VAL 56 3HG1 VAL 56 17.881 -4.439 -4.735 442 HG21 VAL 56 1HG2 VAL 56 18.440 -1.879 -6.353 443 HG22 VAL 56 2HG2 VAL 56 19.070 -3.486 -6.788 444 HG23 VAL 56 3HG2 VAL 56 18.122 -2.552 -7.970 445 H LEU 57 H LEU 57 16.087 -7.181 -6.666 446 HA LEU 57 HA LEU 57 13.187 -6.577 -7.014 447 HB2 LEU 57 1HB LEU 57 14.690 -9.166 -7.542 448 HB3 LEU 57 2HB LEU 57 12.984 -8.860 -7.881 449 HG LEU 57 HG LEU 57 15.328 -7.485 -9.241 450 HD11 LEU 57 1HD1 LEU 57 14.640 -8.806 -11.191 451 HD12 LEU 57 2HD1 LEU 57 15.130 -9.844 -9.833 452 HD13 LEU 57 3HD1 LEU 57 13.403 -9.620 -10.203 453 HD21 LEU 57 1HD2 LEU 57 13.578 -6.578 -10.731 454 HD22 LEU 57 2HD2 LEU 57 12.326 -7.361 -9.737 455 HD23 LEU 57 3HD2 LEU 57 13.320 -6.055 -9.050 456 H ARG 58 H ARG 58 11.641 -7.515 -5.702 457 HA ARG 58 HA ARG 58 12.477 -8.623 -3.145 458 HB2 ARG 58 1HB ARG 58 9.770 -8.408 -4.498 459 HB3 ARG 58 2HB ARG 58 10.003 -9.078 -2.891 460 HG2 ARG 58 1HG ARG 58 10.699 -6.985 -2.007 461 HG3 ARG 58 2HG ARG 58 10.864 -6.277 -3.632 462 HD2 ARG 58 1HD ARG 58 8.284 -7.259 -2.439 463 HD3 ARG 58 2HD ARG 58 8.837 -5.568 -2.433 464 HE ARG 58 HE ARG 58 8.952 -6.390 -5.080 465 HH11 ARG 58 1HH1 ARG 58 6.484 -6.114 -2.596 466 HH12 ARG 58 2HH1 ARG 58 5.193 -5.808 -3.735 467 HH21 ARG 58 1HH2 ARG 58 7.267 -5.990 -6.551 468 HH22 ARG 58 2HH2 ARG 58 5.635 -5.737 -5.974 469 H ASP 59 H ASP 59 12.719 -10.686 -2.549 470 HA ASP 59 HA ASP 59 12.181 -12.811 -4.530 471 HB2 ASP 59 1HB ASP 59 13.364 -14.284 -3.017 472 HB3 ASP 59 2HB ASP 59 14.303 -12.809 -3.203 473 H GLY 60 H GLY 60 11.588 -14.941 -2.888 474 HA2 GLY 60 1HA GLY 60 8.734 -14.704 -2.845 475 HA3 GLY 60 2HA GLY 60 9.662 -16.063 -2.243 476 H ALA 61 H ALA 61 11.160 -13.902 -0.538 477 HA ALA 61 HA ALA 61 9.380 -14.220 1.779 478 HB1 ALA 61 1HB ALA 61 11.296 -13.331 3.065 479 HB2 ALA 61 2HB ALA 61 11.773 -14.700 2.034 480 HB3 ALA 61 3HB ALA 61 12.171 -13.036 1.544 481 H GLY 62 H GLY 62 9.716 -11.960 -0.653 482 HA2 GLY 62 1HA GLY 62 8.991 -9.727 -0.795 483 HA3 GLY 62 2HA GLY 62 8.625 -9.737 0.919 484 H LYS 63 H LYS 63 11.730 -10.973 0.123 485 HA LYS 63 HA LYS 63 12.938 -8.553 1.351 486 HB2 LYS 63 1HB LYS 63 13.946 -11.400 0.994 487 HB3 LYS 63 2HB LYS 63 14.958 -10.090 1.590 488 HG2 LYS 63 1HG LYS 63 13.544 -9.799 3.536 489 HG3 LYS 63 2HG LYS 63 12.376 -10.972 2.910 490 HD2 LYS 63 1HD LYS 63 14.250 -12.690 2.927 491 HD3 LYS 63 2HD LYS 63 15.230 -11.502 3.801 492 HE2 LYS 63 1HE LYS 63 12.491 -12.383 4.762 493 HE3 LYS 63 2HE LYS 63 13.977 -13.217 5.224 494 HZ1 LYS 63 1HZ LYS 63 13.343 -11.582 6.841 495 HZ2 LYS 63 2HZ LYS 63 14.778 -11.154 6.150 496 HZ3 LYS 63 3HZ LYS 63 13.390 -10.375 5.719 497 H TYR 64 H TYR 64 14.719 -7.496 0.493 498 HA TYR 64 HA TYR 64 14.523 -7.442 -2.445 499 HB2 TYR 64 1HB TYR 64 15.847 -5.580 -0.434 500 HB3 TYR 64 2HB TYR 64 15.902 -5.331 -2.174 501 HD1 TYR 64 HD1 TYR 64 13.770 -5.305 0.818 502 HD2 TYR 64 HD2 TYR 64 13.948 -4.618 -3.413 503 HE1 TYR 64 HE1 TYR 64 11.609 -4.111 0.921 504 HE2 TYR 64 HE2 TYR 64 11.787 -3.424 -3.311 505 HH TYR 64 HH TYR 64 9.958 -3.038 -2.005 506 H PHE 65 H PHE 65 16.030 -8.023 -3.864 507 HA PHE 65 HA PHE 65 18.836 -8.222 -2.914 508 HB2 PHE 65 1HB PHE 65 19.197 -10.358 -3.973 509 HB3 PHE 65 2HB PHE 65 17.834 -10.526 -2.879 510 HD1 PHE 65 HD1 PHE 65 18.914 -10.502 -6.367 511 HD2 PHE 65 HD2 PHE 65 15.562 -10.796 -3.734 512 HE1 PHE 65 HE1 PHE 65 17.537 -11.384 -8.221 513 HE2 PHE 65 HE2 PHE 65 14.183 -11.681 -5.587 514 HZ PHE 65 HZ PHE 65 15.172 -11.973 -7.830 515 H LEU 66 H LEU 66 20.407 -8.253 -4.675 516 HA LEU 66 HA LEU 66 19.337 -6.842 -7.083 517 HB2 LEU 66 1HB LEU 66 20.610 -5.416 -5.384 518 HB3 LEU 66 2HB LEU 66 22.048 -6.349 -5.815 519 HG LEU 66 HG LEU 66 20.459 -4.881 -7.928 520 HD11 LEU 66 1HD1 LEU 66 21.966 -2.971 -7.604 521 HD12 LEU 66 2HD1 LEU 66 20.957 -3.263 -6.167 522 HD13 LEU 66 3HD1 LEU 66 22.665 -3.764 -6.173 523 HD21 LEU 66 1HD2 LEU 66 22.662 -4.902 -9.048 524 HD22 LEU 66 2HD2 LEU 66 23.373 -5.723 -7.638 525 HD23 LEU 66 3HD2 LEU 66 22.144 -6.551 -8.624 526 H TRP 67 H TRP 67 19.757 -7.790 -8.957 527 HA TRP 67 HA TRP 67 20.380 -9.511 -10.353 528 HB2 TRP 67 1HB TRP 67 23.031 -8.944 -8.978 529 HB3 TRP 67 2HB TRP 67 22.874 -10.091 -10.300 530 HD1 TRP 67 HD1 TRP 67 24.025 -6.761 -9.876 531 HE1 TRP 67 HE1 TRP 67 23.726 -5.290 -11.981 532 HE3 TRP 67 HE3 TRP 67 20.628 -9.666 -12.392 533 HZ2 TRP 67 HZ2 TRP 67 22.243 -5.377 -14.382 534 HZ3 TRP 67 HZ3 TRP 67 19.807 -8.914 -14.588 535 HH2 TRP 67 HH2 TRP 67 20.600 -6.805 -15.574 536 H VAL 68 H VAL 68 22.650 -10.435 -7.780 537 HA VAL 68 HA VAL 68 21.127 -12.977 -7.475 538 HB VAL 68 HB VAL 68 23.227 -14.264 -7.748 539 HG11 VAL 68 1HG1 VAL 68 23.442 -14.038 -10.175 540 HG12 VAL 68 2HG1 VAL 68 21.743 -14.005 -9.650 541 HG13 VAL 68 3HG1 VAL 68 22.563 -12.493 -10.107 542 HG21 VAL 68 1HG2 VAL 68 25.220 -13.142 -8.693 543 HG22 VAL 68 2HG2 VAL 68 24.391 -11.572 -8.573 544 HG23 VAL 68 3HG2 VAL 68 24.803 -12.476 -7.096 545 H VAL 69 H VAL 69 22.696 -10.388 -6.058 546 HA VAL 69 HA VAL 69 23.808 -12.025 -3.825 547 HB VAL 69 HB VAL 69 25.446 -10.620 -5.040 548 HG11 VAL 69 1HG1 VAL 69 25.299 -8.179 -4.956 549 HG12 VAL 69 2HG1 VAL 69 23.938 -8.898 -5.850 550 HG13 VAL 69 3HG1 VAL 69 23.698 -8.302 -4.190 551 HG21 VAL 69 1HG2 VAL 69 26.345 -9.414 -3.076 552 HG22 VAL 69 2HG2 VAL 69 24.775 -9.583 -2.255 553 HG23 VAL 69 3HG2 VAL 69 25.748 -11.027 -2.622 554 H LYS 70 H LYS 70 23.211 -11.692 -1.752 555 HA LYS 70 HA LYS 70 21.648 -9.296 -1.050 556 HB2 LYS 70 1HB LYS 70 20.142 -11.356 -1.849 557 HB3 LYS 70 2HB LYS 70 20.453 -11.925 -0.214 558 HG2 LYS 70 1HG LYS 70 19.570 -9.100 -0.429 559 HG3 LYS 70 2HG LYS 70 18.384 -10.324 -0.903 560 HD2 LYS 70 1HD LYS 70 18.477 -11.388 1.235 561 HD3 LYS 70 2HD LYS 70 19.933 -10.495 1.698 562 HE2 LYS 70 1HE LYS 70 18.567 -8.366 1.542 563 HE3 LYS 70 2HE LYS 70 17.135 -9.376 1.323 564 HZ1 LYS 70 1HZ LYS 70 17.433 -8.750 3.605 565 HZ2 LYS 70 2HZ LYS 70 17.593 -10.385 3.452 566 HZ3 LYS 70 3HZ LYS 70 18.929 -9.441 3.656 567 H PHE 71 H PHE 71 21.984 -8.624 0.980 568 HA PHE 71 HA PHE 71 23.007 -10.639 2.931 569 HB2 PHE 71 1HB PHE 71 23.911 -7.744 2.665 570 HB3 PHE 71 2HB PHE 71 24.369 -8.824 3.971 571 HD1 PHE 71 HD1 PHE 71 24.915 -7.905 0.496 572 HD2 PHE 71 HD2 PHE 71 25.844 -10.752 3.542 573 HE1 PHE 71 HE1 PHE 71 26.831 -8.709 -0.843 574 HE2 PHE 71 HE2 PHE 71 27.763 -11.557 2.208 575 HZ PHE 71 HZ PHE 71 28.255 -10.535 0.013 576 H ASN 72 H ASN 72 23.070 -9.008 5.162 577 HA ASN 72 HA ASN 72 20.390 -9.024 6.050 578 HB2 ASN 72 1HB ASN 72 22.826 -7.517 7.032 579 HB3 ASN 72 2HB ASN 72 21.275 -7.445 7.857 580 HD21 ASN 72 1HD2 ASN 72 23.384 -10.095 9.380 581 HD22 ASN 72 2HD2 ASN 72 23.569 -8.400 9.075 582 H SER 73 H SER 73 22.183 -6.571 4.312 583 HA SER 73 HA SER 73 19.631 -5.275 3.692 584 HB2 SER 73 1HB SER 73 20.186 -4.075 5.719 585 HB3 SER 73 2HB SER 73 21.835 -3.810 5.173 586 HG SER 73 HG SER 73 19.717 -2.345 4.752 587 H LEU 74 H LEU 74 19.708 -3.943 1.858 588 HA LEU 74 HA LEU 74 21.646 -4.501 -0.121 589 HB2 LEU 74 1HB LEU 74 19.476 -3.605 -0.706 590 HB3 LEU 74 2HB LEU 74 19.774 -2.136 0.228 591 HG LEU 74 HG LEU 74 21.616 -2.772 -2.056 592 HD11 LEU 74 1HD1 LEU 74 20.064 -1.681 -3.615 593 HD12 LEU 74 2HD1 LEU 74 19.388 -3.193 -2.964 594 HD13 LEU 74 3HD1 LEU 74 18.824 -1.625 -2.340 595 HD21 LEU 74 1HD2 LEU 74 21.616 -0.304 -2.201 596 HD22 LEU 74 2HD2 LEU 74 20.397 -0.227 -0.906 597 HD23 LEU 74 3HD2 LEU 74 22.027 -0.848 -0.557 598 H ASN 75 H ASN 75 21.623 -2.147 2.471 599 HA ASN 75 HA ASN 75 23.676 -0.424 1.521 600 HB2 ASN 75 1HB ASN 75 22.817 -1.226 4.312 601 HB3 ASN 75 2HB ASN 75 24.096 -0.055 4.020 602 HD21 ASN 75 1HD2 ASN 75 20.843 1.693 4.463 603 HD22 ASN 75 2HD2 ASN 75 21.757 0.552 5.394 604 H GLU 76 H GLU 76 23.798 -3.699 2.524 605 HA GLU 76 HA GLU 76 26.706 -3.543 3.082 606 HB2 GLU 76 1HB GLU 76 24.728 -5.848 3.303 607 HB3 GLU 76 2HB GLU 76 26.440 -5.964 3.686 608 HG2 GLU 76 1HG GLU 76 26.129 -4.215 5.432 609 HG3 GLU 76 2HG GLU 76 24.401 -4.220 5.083 610 H LEU 77 H LEU 77 24.416 -4.650 0.673 611 HA LEU 77 HA LEU 77 26.364 -6.341 -0.694 612 HB2 LEU 77 1HB LEU 77 24.619 -6.998 -2.051 613 HB3 LEU 77 2HB LEU 77 23.740 -6.523 -0.595 614 HG LEU 77 HG LEU 77 23.400 -4.242 -1.744 615 HD11 LEU 77 1HD1 LEU 77 23.526 -4.287 -4.196 616 HD12 LEU 77 2HD1 LEU 77 25.126 -4.514 -3.451 617 HD13 LEU 77 3HD1 LEU 77 24.253 -5.909 -4.129 618 HD21 LEU 77 1HD2 LEU 77 21.476 -5.129 -3.018 619 HD22 LEU 77 2HD2 LEU 77 22.173 -6.764 -2.934 620 HD23 LEU 77 3HD2 LEU 77 21.636 -5.949 -1.446 621 H VAL 78 H VAL 78 25.231 -3.034 -0.899 622 HA VAL 78 HA VAL 78 26.563 -2.468 -3.416 623 HB VAL 78 HB VAL 78 26.214 -0.100 -2.798 624 HG11 VAL 78 1HG1 VAL 78 23.772 -0.134 -2.656 625 HG12 VAL 78 2HG1 VAL 78 24.387 -1.325 -3.825 626 HG13 VAL 78 3HG1 VAL 78 23.821 -1.859 -2.225 627 HG21 VAL 78 1HG2 VAL 78 25.112 0.452 -0.652 628 HG22 VAL 78 2HG2 VAL 78 25.211 -1.257 -0.164 629 HG23 VAL 78 3HG2 VAL 78 26.700 -0.307 -0.384 630 H ASP 79 H ASP 79 27.476 -2.508 -0.014 631 HA ASP 79 HA ASP 79 30.109 -1.382 -0.440 632 HB2 ASP 79 1HB ASP 79 28.905 -1.583 1.794 633 HB3 ASP 79 2HB ASP 79 29.245 -3.308 1.749 634 H TYR 80 H TYR 80 28.828 -4.719 -0.253 635 HA TYR 80 HA TYR 80 31.181 -6.083 -1.014 636 HB2 TYR 80 1HB TYR 80 29.158 -7.281 -0.360 637 HB3 TYR 80 2HB TYR 80 28.275 -6.628 -1.734 638 HD1 TYR 80 HD1 TYR 80 31.174 -8.789 -0.832 639 HD2 TYR 80 HD2 TYR 80 28.254 -7.732 -3.793 640 HE1 TYR 80 HE1 TYR 80 31.853 -10.736 -2.196 641 HE2 TYR 80 HE2 TYR 80 28.931 -9.680 -5.156 642 HH TYR 80 HH TYR 80 31.503 -11.883 -4.065 643 H HIS 81 H HIS 81 28.692 -4.559 -3.072 644 HA HIS 81 HA HIS 81 30.255 -5.116 -5.498 645 HB2 HIS 81 1HB HIS 81 27.613 -3.796 -4.901 646 HB3 HIS 81 2HB HIS 81 28.396 -3.508 -6.448 647 HD2 HIS 81 HD2 HIS 81 29.350 -6.997 -6.024 648 HE1 HIS 81 HE1 HIS 81 25.323 -7.249 -7.394 649 H ARG 82 H ARG 82 30.799 -3.049 -3.067 650 HA ARG 82 HA ARG 82 31.748 -0.860 -4.824 651 HB2 ARG 82 1HB ARG 82 30.746 -0.278 -2.644 652 HB3 ARG 82 2HB ARG 82 31.965 -1.236 -1.817 653 HG2 ARG 82 1HG ARG 82 33.723 0.269 -2.589 654 HG3 ARG 82 2HG ARG 82 32.525 1.219 -3.500 655 HD2 ARG 82 1HD ARG 82 33.002 2.315 -1.438 656 HD3 ARG 82 2HD ARG 82 31.347 1.665 -1.382 657 HE ARG 82 HE ARG 82 31.975 0.210 0.291 658 HH11 ARG 82 1HH1 ARG 82 34.826 1.726 -1.092 659 HH12 ARG 82 2HH1 ARG 82 35.897 1.147 0.164 660 HH21 ARG 82 1HH2 ARG 82 33.375 -0.535 1.916 661 HH22 ARG 82 2HH2 ARG 82 35.076 -0.133 1.867 662 H SER 83 H SER 83 33.087 -3.196 -2.458 663 HA SER 83 HA SER 83 35.823 -2.726 -3.237 664 HB2 SER 83 1HB SER 83 34.495 -5.062 -1.825 665 HB3 SER 83 2HB SER 83 36.231 -4.889 -2.024 666 HG SER 83 HG SER 83 34.439 -3.426 -0.499 667 H THR 84 H THR 84 33.312 -5.002 -4.263 668 HA THR 84 HA THR 84 35.197 -5.973 -6.372 669 HB THR 84 HB THR 84 32.892 -7.480 -5.060 670 HG1 THR 84 HG1 THR 84 34.540 -8.696 -4.150 671 HG21 THR 84 1HG2 THR 84 33.672 -9.382 -6.417 672 HG22 THR 84 2HG2 THR 84 33.152 -8.032 -7.453 673 HG23 THR 84 3HG2 THR 84 34.885 -8.337 -7.193 674 H SER 85 H SER 85 34.556 -6.007 -8.454 675 HA SER 85 HA SER 85 32.554 -4.163 -9.264 676 HB2 SER 85 1HB SER 85 32.989 -4.928 -11.505 677 HB3 SER 85 2HB SER 85 34.512 -4.881 -10.632 678 HG SER 85 HG SER 85 33.526 -6.862 -11.905 679 H VAL 86 H VAL 86 30.579 -4.469 -10.369 680 HA VAL 86 HA VAL 86 28.813 -6.303 -9.113 681 HB VAL 86 HB VAL 86 28.229 -4.117 -10.308 682 HG11 VAL 86 1HG1 VAL 86 27.723 -4.251 -12.697 683 HG12 VAL 86 2HG1 VAL 86 29.452 -4.511 -12.367 684 HG13 VAL 86 3HG1 VAL 86 28.401 -5.896 -12.749 685 HG21 VAL 86 1HG2 VAL 86 26.019 -4.956 -11.038 686 HG22 VAL 86 2HG2 VAL 86 26.650 -6.621 -11.032 687 HG23 VAL 86 3HG2 VAL 86 26.520 -5.711 -9.506 688 H SER 87 H SER 87 30.758 -6.543 -12.033 689 HA SER 87 HA SER 87 30.388 -9.443 -11.953 690 HB2 SER 87 1HB SER 87 28.504 -8.897 -13.353 691 HB3 SER 87 2HB SER 87 29.468 -7.798 -14.327 692 HG SER 87 HG SER 87 29.085 -10.356 -14.648 693 H ARG 88 H ARG 88 31.906 -10.594 -13.267 694 HA ARG 88 HA ARG 88 34.486 -9.436 -13.438 695 HB2 ARG 88 1HB ARG 88 33.274 -11.844 -14.825 696 HB3 ARG 88 2HB ARG 88 34.971 -11.412 -14.969 697 HG2 ARG 88 1HG ARG 88 35.273 -11.688 -12.558 698 HG3 ARG 88 2HG ARG 88 33.545 -12.077 -12.381 699 HD2 ARG 88 1HD ARG 88 33.831 -14.007 -13.823 700 HD3 ARG 88 2HD ARG 88 35.558 -13.617 -14.003 701 HE ARG 88 HE ARG 88 35.081 -13.781 -11.268 702 HH11 ARG 88 1HH1 ARG 88 34.843 -15.903 -14.057 703 HH12 ARG 88 2HH1 ARG 88 35.171 -17.355 -13.137 704 HH21 ARG 88 1HH2 ARG 88 35.505 -15.673 -10.085 705 HH22 ARG 88 2HH2 ARG 88 35.545 -17.226 -10.889 706 H ASN 89 H ASN 89 31.782 -9.350 -15.627 707 HA ASN 89 HA ASN 89 33.531 -8.372 -17.828 708 HB2 ASN 89 1HB ASN 89 30.636 -9.283 -17.797 709 HB3 ASN 89 2HB ASN 89 31.439 -8.607 -19.207 710 HD21 ASN 89 1HD2 ASN 89 31.577 -12.429 -18.904 711 HD22 ASN 89 2HD2 ASN 89 30.310 -11.323 -18.490 712 H GLN 90 H GLN 90 32.021 -7.092 -15.251 713 HA GLN 90 HA GLN 90 31.554 -4.526 -16.673 714 HB2 GLN 90 1HB GLN 90 29.592 -5.791 -14.717 715 HB3 GLN 90 2HB GLN 90 29.470 -4.159 -15.357 716 HG2 GLN 90 1HG GLN 90 29.274 -5.091 -17.643 717 HG3 GLN 90 2HG GLN 90 29.307 -6.733 -16.938 718 HE21 GLN 90 1HE2 GLN 90 25.854 -4.767 -17.271 719 HE22 GLN 90 2HE2 GLN 90 27.319 -4.353 -18.099 720 H GLN 91 H GLN 91 33.152 -3.356 -15.828 721 HA GLN 91 HA GLN 91 34.018 -3.810 -13.073 722 HB2 GLN 91 1HB GLN 91 34.954 -1.765 -15.127 723 HB3 GLN 91 2HB GLN 91 35.742 -2.107 -13.594 724 HG2 GLN 91 1HG GLN 91 35.397 -4.060 -15.879 725 HG3 GLN 91 2HG GLN 91 36.891 -3.184 -15.442 726 HE21 GLN 91 1HE2 GLN 91 36.065 -6.723 -13.777 727 HE22 GLN 91 2HE2 GLN 91 35.266 -6.078 -15.173 728 H ILE 92 H ILE 92 31.809 -3.205 -12.261 729 HA ILE 92 HA ILE 92 31.560 -0.234 -12.039 730 HB ILE 92 HB ILE 92 29.304 -2.282 -11.950 731 HG12 ILE 92 1HG1 ILE 92 30.422 -0.626 -14.193 732 HG13 ILE 92 2HG1 ILE 92 29.999 -2.331 -14.173 733 HG21 ILE 92 1HG2 ILE 92 27.862 -0.292 -12.107 734 HG22 ILE 92 2HG2 ILE 92 28.879 -0.231 -10.649 735 HG23 ILE 92 3HG2 ILE 92 29.299 0.757 -12.067 736 HD11 ILE 92 1HD1 ILE 92 28.406 -1.048 -15.487 737 HD12 ILE 92 2HD1 ILE 92 27.615 -1.751 -14.055 738 HD13 ILE 92 3HD1 ILE 92 28.044 -0.024 -14.078 739 H PHE 93 H PHE 93 31.623 0.630 -10.081 740 HA PHE 93 HA PHE 93 31.517 -1.265 -7.770 741 HB2 PHE 93 1HB PHE 93 33.359 1.142 -7.935 742 HB3 PHE 93 2HB PHE 93 33.397 -0.171 -6.770 743 HD1 PHE 93 HD1 PHE 93 34.102 0.764 -10.267 744 HD2 PHE 93 HD2 PHE 93 34.493 -2.237 -7.251 745 HE1 PHE 93 HE1 PHE 93 35.740 -0.438 -11.676 746 HE2 PHE 93 HE2 PHE 93 36.133 -3.439 -8.655 747 HZ PHE 93 HZ PHE 93 36.756 -2.539 -10.870 748 H LEU 94 H LEU 94 29.849 -0.806 -6.519 749 HA LEU 94 HA LEU 94 28.435 1.703 -6.898 750 HB2 LEU 94 1HB LEU 94 27.949 -0.622 -5.002 751 HB3 LEU 94 2HB LEU 94 26.845 0.739 -5.229 752 HG LEU 94 HG LEU 94 27.546 -1.438 -7.217 753 HD11 LEU 94 1HD1 LEU 94 25.123 -1.815 -7.147 754 HD12 LEU 94 2HD1 LEU 94 25.860 -1.977 -5.536 755 HD13 LEU 94 3HD1 LEU 94 24.952 -0.504 -5.957 756 HD21 LEU 94 1HD2 LEU 94 26.107 -0.213 -8.810 757 HD22 LEU 94 2HD2 LEU 94 25.950 1.122 -7.643 758 HD23 LEU 94 3HD2 LEU 94 27.535 0.753 -8.365 759 H ARG 95 H ARG 95 30.062 3.192 -6.167 760 HA ARG 95 HA ARG 95 30.857 3.160 -3.364 761 HB2 ARG 95 1HB ARG 95 31.128 5.277 -5.525 762 HB3 ARG 95 2HB ARG 95 31.804 5.421 -3.909 763 HG2 ARG 95 1HG ARG 95 33.168 3.380 -4.338 764 HG3 ARG 95 2HG ARG 95 32.547 3.369 -6.006 765 HD2 ARG 95 1HD ARG 95 33.460 5.605 -6.344 766 HD3 ARG 95 2HD ARG 95 34.109 5.577 -4.688 767 HE ARG 95 HE ARG 95 35.684 3.943 -5.336 768 HH11 ARG 95 1HH1 ARG 95 33.661 5.008 -8.003 769 HH12 ARG 95 2HH1 ARG 95 34.737 4.386 -9.233 770 HH21 ARG 95 1HH2 ARG 95 37.074 3.140 -6.942 771 HH22 ARG 95 2HH2 ARG 95 36.670 3.328 -8.634 772 H ASP 96 H ASP 96 30.230 4.551 -1.729 773 HA ASP 96 HA ASP 96 27.495 5.596 -1.977 774 HB2 ASP 96 1HB ASP 96 29.451 5.407 0.341 775 HB3 ASP 96 2HB ASP 96 27.888 6.199 0.478 Start of MODEL 16 1 H1 MET 1 1H MET 1 -2.046 3.280 -2.486 2 H2 MET 1 2H MET 1 -1.554 4.730 -1.920 3 H3 MET 1 3H MET 1 -1.270 4.322 -3.474 4 HA MET 1 HA MET 1 -0.127 3.051 -1.118 5 HB2 MET 1 1HB MET 1 -0.536 1.466 -2.979 6 HB3 MET 1 2HB MET 1 0.339 2.521 -4.080 7 HG2 MET 1 1HG MET 1 2.408 2.167 -2.823 8 HG3 MET 1 2HG MET 1 1.545 1.172 -1.647 9 HE1 MET 1 1HE MET 1 3.798 -1.371 -3.673 10 HE2 MET 1 2HE MET 1 4.194 0.327 -3.312 11 HE3 MET 1 3HE MET 1 3.434 -0.694 -2.067 12 H LYS 2 H LYS 2 0.965 4.680 -0.212 13 HA LYS 2 HA LYS 2 2.334 6.724 -1.690 14 HB2 LYS 2 1HB LYS 2 2.663 5.724 1.164 15 HB3 LYS 2 2HB LYS 2 3.519 7.118 0.519 16 HG2 LYS 2 1HG LYS 2 1.351 8.230 0.069 17 HG3 LYS 2 2HG LYS 2 0.510 6.836 0.763 18 HD2 LYS 2 1HD LYS 2 1.678 7.203 2.916 19 HD3 LYS 2 2HD LYS 2 2.512 8.602 2.221 20 HE2 LYS 2 1HE LYS 2 0.343 9.717 1.841 21 HE3 LYS 2 2HE LYS 2 -0.503 8.318 2.507 22 HZ1 LYS 2 1HZ LYS 2 -0.243 10.046 4.131 23 HZ2 LYS 2 2HZ LYS 2 0.610 8.712 4.596 24 HZ3 LYS 2 3HZ LYS 2 1.400 10.021 3.975 25 HA PRO 3 HA PRO 3 5.897 4.592 -2.931 26 HB2 PRO 3 1HB PRO 3 7.582 6.690 -3.447 27 HB3 PRO 3 2HB PRO 3 6.164 6.358 -4.452 28 HG2 PRO 3 1HG PRO 3 6.453 8.340 -2.151 29 HG3 PRO 3 2HG PRO 3 5.788 8.626 -3.762 30 HD2 PRO 3 1HD PRO 3 4.166 8.106 -1.639 31 HD3 PRO 3 2HD PRO 3 3.768 7.502 -3.298 32 H HIS 4 H HIS 4 8.078 4.071 -2.264 33 HA HIS 4 HA HIS 4 8.803 4.041 0.408 34 HB2 HIS 4 1HB HIS 4 10.023 2.907 -1.473 35 HB3 HIS 4 2HB HIS 4 10.742 4.455 -1.895 36 HD2 HIS 4 HD2 HIS 4 13.129 4.885 -0.661 37 HE1 HIS 4 HE1 HIS 4 12.627 2.139 2.558 38 HA PRO 5 HA PRO 5 9.077 8.325 1.042 39 HB2 PRO 5 1HB PRO 5 8.929 8.335 3.763 40 HB3 PRO 5 2HB PRO 5 7.551 7.847 2.769 41 HG2 PRO 5 1HG PRO 5 9.627 6.088 4.148 42 HG3 PRO 5 2HG PRO 5 7.868 5.940 4.194 43 HD2 PRO 5 1HD PRO 5 9.391 4.462 2.468 44 HD3 PRO 5 2HD PRO 5 7.733 5.038 2.026 45 H TRP 6 H TRP 6 11.520 7.357 0.300 46 HA TRP 6 HA TRP 6 13.231 8.993 2.091 47 HB2 TRP 6 1HB TRP 6 13.935 6.235 1.020 48 HB3 TRP 6 2HB TRP 6 15.129 7.361 1.651 49 HD1 TRP 6 HD1 TRP 6 12.098 5.259 2.817 50 HE1 TRP 6 HE1 TRP 6 12.284 4.877 5.367 51 HE3 TRP 6 HE3 TRP 6 16.146 8.261 3.769 52 HZ2 TRP 6 HZ2 TRP 6 13.943 5.744 7.481 53 HZ3 TRP 6 HZ3 TRP 6 16.982 8.443 6.078 54 HH2 TRP 6 HH2 TRP 6 15.904 7.204 7.910 55 H PHE 7 H PHE 7 14.968 10.035 1.072 56 HA PHE 7 HA PHE 7 15.718 11.390 -0.642 57 HB2 PHE 7 1HB PHE 7 15.829 8.587 -1.649 58 HB3 PHE 7 2HB PHE 7 15.967 9.838 -2.874 59 HD1 PHE 7 HD1 PHE 7 17.470 8.503 0.228 60 HD2 PHE 7 HD2 PHE 7 17.933 11.151 -3.093 61 HE1 PHE 7 HE1 PHE 7 19.858 8.794 0.795 62 HE2 PHE 7 HE2 PHE 7 20.322 11.442 -2.530 63 HZ PHE 7 HZ PHE 7 21.285 10.263 -0.585 64 H PHE 8 H PHE 8 14.371 9.530 -3.208 65 HA PHE 8 HA PHE 8 12.523 11.820 -3.738 66 HB2 PHE 8 1HB PHE 8 14.218 10.148 -5.625 67 HB3 PHE 8 2HB PHE 8 12.909 11.176 -6.187 68 HD1 PHE 8 HD1 PHE 8 16.180 11.173 -4.457 69 HD2 PHE 8 HD2 PHE 8 13.175 13.520 -6.383 70 HE1 PHE 8 HE1 PHE 8 17.718 13.109 -4.496 71 HE2 PHE 8 HE2 PHE 8 14.710 15.457 -6.425 72 HZ PHE 8 HZ PHE 8 16.983 15.251 -5.480 73 H GLY 9 H GLY 9 12.505 8.690 -2.790 74 HA2 GLY 9 1HA GLY 9 11.059 6.892 -3.002 75 HA3 GLY 9 2HA GLY 9 9.829 8.069 -3.425 76 H LYS 10 H LYS 10 8.889 7.725 -5.327 77 HA LYS 10 HA LYS 10 10.172 6.002 -7.320 78 HB2 LYS 10 1HB LYS 10 7.489 7.436 -7.271 79 HB3 LYS 10 2HB LYS 10 8.023 6.405 -8.591 80 HG2 LYS 10 1HG LYS 10 8.043 4.462 -7.170 81 HG3 LYS 10 2HG LYS 10 7.763 5.449 -5.728 82 HD2 LYS 10 1HD LYS 10 5.567 6.163 -6.686 83 HD3 LYS 10 2HD LYS 10 5.846 5.084 -8.061 84 HE2 LYS 10 1HE LYS 10 5.864 3.139 -6.606 85 HE3 LYS 10 2HE LYS 10 5.793 4.158 -5.166 86 HZ1 LYS 10 1HZ LYS 10 3.652 3.265 -5.722 87 HZ2 LYS 10 2HZ LYS 10 3.625 4.907 -5.875 88 HZ3 LYS 10 3HZ LYS 10 3.692 3.954 -7.219 89 H ILE 11 H ILE 11 11.955 7.788 -7.322 90 HA ILE 11 HA ILE 11 11.508 10.005 -9.110 91 HB ILE 11 HB ILE 11 13.495 9.607 -7.470 92 HG12 ILE 11 1HG1 ILE 11 13.972 10.627 -10.281 93 HG13 ILE 11 2HG1 ILE 11 13.277 11.542 -8.951 94 HG21 ILE 11 1HG2 ILE 11 15.466 8.569 -8.519 95 HG22 ILE 11 2HG2 ILE 11 14.139 7.396 -8.352 96 HG23 ILE 11 3HG2 ILE 11 14.485 8.128 -9.937 97 HD11 ILE 11 1HD1 ILE 11 15.621 12.103 -9.269 98 HD12 ILE 11 2HD1 ILE 11 15.373 11.325 -7.688 99 HD13 ILE 11 3HD1 ILE 11 16.078 10.399 -9.034 100 HA PRO 12 HA PRO 12 11.649 7.861 -12.996 101 HB2 PRO 12 1HB PRO 12 12.163 10.001 -14.606 102 HB3 PRO 12 2HB PRO 12 10.573 9.762 -13.869 103 HG2 PRO 12 1HG PRO 12 12.882 11.507 -12.891 104 HG3 PRO 12 2HG PRO 12 11.198 11.974 -13.139 105 HD2 PRO 12 1HD PRO 12 12.087 11.288 -10.674 106 HD3 PRO 12 2HD PRO 12 10.432 10.808 -11.227 107 H ARG 13 H ARG 13 13.303 7.041 -14.277 108 HA ARG 13 HA ARG 13 16.010 7.202 -13.509 109 HB2 ARG 13 1HB ARG 13 14.845 5.535 -15.098 110 HB3 ARG 13 2HB ARG 13 15.112 6.729 -16.360 111 HG2 ARG 13 1HG ARG 13 17.552 6.188 -14.859 112 HG3 ARG 13 2HG ARG 13 16.851 4.721 -15.586 113 HD2 ARG 13 1HD ARG 13 17.525 7.293 -16.994 114 HD3 ARG 13 2HD ARG 13 18.393 5.745 -17.108 115 HE ARG 13 HE ARG 13 15.762 5.202 -17.816 116 HH11 ARG 13 1HH1 ARG 13 18.360 7.262 -18.976 117 HH12 ARG 13 2HH1 ARG 13 17.829 7.205 -20.643 118 HH21 ARG 13 1HH2 ARG 13 15.082 5.137 -19.982 119 HH22 ARG 13 2HH2 ARG 13 15.974 6.004 -21.213 120 H ALA 14 H ALA 14 14.161 9.158 -15.823 121 HA ALA 14 HA ALA 14 16.065 10.709 -17.030 122 HB1 ALA 14 1HB ALA 14 14.484 12.606 -16.882 123 HB2 ALA 14 2HB ALA 14 13.654 11.087 -17.293 124 HB3 ALA 14 3HB ALA 14 13.563 11.732 -15.637 125 H LYS 15 H LYS 15 14.779 11.432 -13.753 126 HA LYS 15 HA LYS 15 16.545 13.711 -13.529 127 HB2 LYS 15 1HB LYS 15 14.206 13.294 -12.429 128 HB3 LYS 15 2HB LYS 15 15.110 12.422 -11.197 129 HG2 LYS 15 1HG LYS 15 14.790 14.632 -10.393 130 HG3 LYS 15 2HG LYS 15 16.493 14.506 -10.853 131 HD2 LYS 15 1HD LYS 15 15.937 15.569 -13.050 132 HD3 LYS 15 2HD LYS 15 14.269 15.773 -12.495 133 HE2 LYS 15 1HE LYS 15 14.971 17.236 -10.701 134 HE3 LYS 15 2HE LYS 15 16.674 16.902 -11.023 135 HZ1 LYS 15 1HZ LYS 15 15.996 18.993 -11.948 136 HZ2 LYS 15 2HZ LYS 15 16.418 17.959 -13.162 137 HZ3 LYS 15 3HZ LYS 15 14.828 18.273 -12.861 138 H ALA 16 H ALA 16 16.579 10.394 -12.304 139 HA ALA 16 HA ALA 16 18.618 10.756 -10.359 140 HB1 ALA 16 1HB ALA 16 18.913 8.304 -10.512 141 HB2 ALA 16 2HB ALA 16 17.194 8.758 -10.437 142 HB3 ALA 16 3HB ALA 16 17.923 8.285 -11.990 143 H GLU 17 H GLU 17 18.790 9.936 -13.813 144 HA GLU 17 HA GLU 17 21.657 9.585 -13.813 145 HB2 GLU 17 1HB GLU 17 19.676 10.139 -16.058 146 HB3 GLU 17 2HB GLU 17 21.382 9.802 -16.320 147 HG2 GLU 17 1HG GLU 17 21.003 7.613 -15.070 148 HG3 GLU 17 2HG GLU 17 19.279 7.956 -15.191 149 H GLU 18 H GLU 18 19.483 12.297 -14.571 150 HA GLU 18 HA GLU 18 21.435 14.136 -15.464 151 HB2 GLU 18 1HB GLU 18 18.977 14.510 -15.586 152 HB3 GLU 18 2HB GLU 18 18.922 14.698 -13.839 153 HG2 GLU 18 1HG GLU 18 20.402 16.669 -14.014 154 HG3 GLU 18 2HG GLU 18 20.416 16.488 -15.767 155 H MET 19 H MET 19 20.250 13.493 -12.155 156 HA MET 19 HA MET 19 21.895 15.415 -10.856 157 HB2 MET 19 1HB MET 19 20.549 12.858 -9.973 158 HB3 MET 19 2HB MET 19 21.609 13.725 -8.871 159 HG2 MET 19 1HG MET 19 20.183 15.766 -9.206 160 HG3 MET 19 2HG MET 19 19.076 14.775 -10.160 161 HE1 MET 19 1HE MET 19 17.289 12.550 -7.666 162 HE2 MET 19 2HE MET 19 17.201 13.423 -9.215 163 HE3 MET 19 3HE MET 19 18.453 12.184 -8.963 164 H LEU 20 H LEU 20 22.467 11.984 -11.621 165 HA LEU 20 HA LEU 20 24.961 11.791 -10.253 166 HB2 LEU 20 1HB LEU 20 23.818 10.261 -12.613 167 HB3 LEU 20 2HB LEU 20 25.341 9.836 -11.827 168 HG LEU 20 HG LEU 20 22.647 9.895 -10.424 169 HD11 LEU 20 1HD1 LEU 20 22.764 7.446 -10.566 170 HD12 LEU 20 2HD1 LEU 20 22.699 8.196 -12.178 171 HD13 LEU 20 3HD1 LEU 20 24.242 7.574 -11.547 172 HD21 LEU 20 1HD2 LEU 20 23.882 8.660 -8.675 173 HD22 LEU 20 2HD2 LEU 20 25.379 8.805 -9.628 174 HD23 LEU 20 3HD2 LEU 20 24.605 10.261 -8.961 175 H SER 21 H SER 21 24.106 12.835 -13.521 176 HA SER 21 HA SER 21 26.831 12.881 -14.487 177 HB2 SER 21 1HB SER 21 25.920 14.009 -16.417 178 HB3 SER 21 2HB SER 21 24.831 12.710 -15.956 179 HG SER 21 HG SER 21 23.850 14.514 -14.630 180 H LYS 22 H LYS 22 25.148 14.837 -12.311 181 HA LYS 22 HA LYS 22 26.978 17.128 -12.811 182 HB2 LYS 22 1HB LYS 22 24.599 16.810 -10.940 183 HB3 LYS 22 2HB LYS 22 25.622 18.240 -10.997 184 HG2 LYS 22 1HG LYS 22 24.984 18.608 -13.353 185 HG3 LYS 22 2HG LYS 22 23.949 17.173 -13.290 186 HD2 LYS 22 1HD LYS 22 22.613 18.209 -11.488 187 HD3 LYS 22 2HD LYS 22 23.652 19.641 -11.536 188 HE2 LYS 22 1HE LYS 22 22.990 20.058 -13.874 189 HE3 LYS 22 2HE LYS 22 21.978 18.612 -13.857 190 HZ1 LYS 22 1HZ LYS 22 20.700 20.588 -13.467 191 HZ2 LYS 22 2HZ LYS 22 20.660 19.625 -12.127 192 HZ3 LYS 22 3HZ LYS 22 21.605 20.977 -12.143 193 H GLN 23 H GLN 23 26.410 14.439 -10.670 194 HA GLN 23 HA GLN 23 28.165 15.342 -8.560 195 HB2 GLN 23 1HB GLN 23 27.243 12.551 -9.353 196 HB3 GLN 23 2HB GLN 23 28.158 12.915 -7.897 197 HG2 GLN 23 1HG GLN 23 25.442 14.072 -8.552 198 HG3 GLN 23 2HG GLN 23 25.741 12.663 -7.497 199 HE21 GLN 23 1HE2 GLN 23 25.585 16.193 -5.818 200 HE22 GLN 23 2HE2 GLN 23 24.777 15.668 -7.258 201 H ARG 24 H ARG 24 28.593 13.370 -11.482 202 HA ARG 24 HA ARG 24 30.494 12.668 -12.571 203 HB2 ARG 24 1HB ARG 24 32.059 14.734 -11.017 204 HB3 ARG 24 2HB ARG 24 32.370 14.116 -12.632 205 HG2 ARG 24 1HG ARG 24 30.081 15.926 -11.819 206 HG3 ARG 24 2HG ARG 24 31.535 16.381 -12.742 207 HD2 ARG 24 1HD ARG 24 29.486 14.359 -13.617 208 HD3 ARG 24 2HD ARG 24 29.556 16.055 -14.146 209 HE ARG 24 HE ARG 24 32.058 14.734 -14.577 210 HH11 ARG 24 1HH1 ARG 24 28.796 15.020 -15.848 211 HH12 ARG 24 2HH1 ARG 24 29.264 14.614 -17.484 212 HH21 ARG 24 1HH2 ARG 24 32.653 14.209 -16.704 213 HH22 ARG 24 2HH2 ARG 24 31.446 14.156 -17.971 214 H HIS 25 H HIS 25 29.765 11.583 -9.898 215 HA HIS 25 HA HIS 25 32.456 10.780 -8.879 216 HB2 HIS 25 1HB HIS 25 30.869 11.737 -7.226 217 HB3 HIS 25 2HB HIS 25 29.711 10.470 -7.608 218 HD2 HIS 25 HD2 HIS 25 31.204 7.666 -7.130 219 HE1 HIS 25 HE1 HIS 25 32.987 9.488 -3.731 220 H ASP 26 H ASP 26 33.080 9.215 -10.294 221 HA ASP 26 HA ASP 26 31.456 7.161 -11.344 222 HB2 ASP 26 1HB ASP 26 33.686 7.587 -12.223 223 HB3 ASP 26 2HB ASP 26 34.426 7.179 -10.682 224 H GLY 27 H GLY 27 30.570 5.378 -10.571 225 HA2 GLY 27 1HA GLY 27 30.627 3.403 -9.146 226 HA3 GLY 27 2HA GLY 27 31.536 4.312 -7.953 227 H ALA 28 H ALA 28 29.796 6.718 -8.313 228 HA ALA 28 HA ALA 28 27.991 6.172 -6.184 229 HB1 ALA 28 1HB ALA 28 27.077 8.420 -6.660 230 HB2 ALA 28 2HB ALA 28 28.856 8.421 -6.647 231 HB3 ALA 28 3HB ALA 28 27.978 8.453 -8.193 232 H PHE 29 H PHE 29 25.679 6.265 -6.140 233 HA PHE 29 HA PHE 29 24.347 5.380 -8.626 234 HB2 PHE 29 1HB PHE 29 23.504 3.310 -7.532 235 HB3 PHE 29 2HB PHE 29 25.243 3.286 -7.773 236 HD1 PHE 29 HD1 PHE 29 22.546 3.507 -5.299 237 HD2 PHE 29 HD2 PHE 29 26.773 3.368 -5.901 238 HE1 PHE 29 HE1 PHE 29 22.870 3.020 -2.897 239 HE2 PHE 29 HE2 PHE 29 27.101 2.878 -3.500 240 HZ PHE 29 HZ PHE 29 25.148 2.705 -1.997 241 H LEU 30 H LEU 30 22.060 5.332 -8.498 242 HA LEU 30 HA LEU 30 20.945 6.595 -6.030 243 HB2 LEU 30 1HB LEU 30 21.078 8.045 -8.172 244 HB3 LEU 30 2HB LEU 30 19.797 7.001 -8.799 245 HG LEU 30 HG LEU 30 19.367 8.309 -6.135 246 HD11 LEU 30 1HD1 LEU 30 18.564 10.347 -7.244 247 HD12 LEU 30 2HD1 LEU 30 20.309 10.102 -7.501 248 HD13 LEU 30 3HD1 LEU 30 19.155 9.730 -8.805 249 HD21 LEU 30 1HD2 LEU 30 17.052 8.359 -7.000 250 HD22 LEU 30 2HD2 LEU 30 17.620 7.713 -8.559 251 HD23 LEU 30 3HD2 LEU 30 17.734 6.716 -7.089 252 H ILE 31 H ILE 31 19.737 5.192 -4.981 253 HA ILE 31 HA ILE 31 18.440 2.998 -6.489 254 HB ILE 31 HB ILE 31 18.931 3.467 -3.524 255 HG12 ILE 31 1HG1 ILE 31 19.839 1.169 -5.252 256 HG13 ILE 31 2HG1 ILE 31 20.767 2.654 -5.114 257 HG21 ILE 31 1HG2 ILE 31 17.869 1.279 -3.145 258 HG22 ILE 31 2HG2 ILE 31 16.706 2.445 -3.819 259 HG23 ILE 31 3HG2 ILE 31 17.420 1.195 -4.865 260 HD11 ILE 31 1HD1 ILE 31 21.592 0.960 -3.579 261 HD12 ILE 31 2HD1 ILE 31 20.926 2.346 -2.682 262 HD13 ILE 31 3HD1 ILE 31 19.987 0.840 -2.822 263 H ARG 32 H ARG 32 16.314 2.813 -6.815 264 HA ARG 32 HA ARG 32 14.518 4.795 -5.530 265 HB2 ARG 32 1HB ARG 32 13.711 5.653 -7.621 266 HB3 ARG 32 2HB ARG 32 15.459 5.828 -7.611 267 HG2 ARG 32 1HG ARG 32 15.527 3.633 -8.939 268 HG3 ARG 32 2HG ARG 32 13.779 3.878 -9.176 269 HD2 ARG 32 1HD ARG 32 14.193 6.026 -10.184 270 HD3 ARG 32 2HD ARG 32 15.938 5.849 -9.890 271 HE ARG 32 HE ARG 32 16.081 4.307 -11.624 272 HH11 ARG 32 1HH1 ARG 32 12.741 5.229 -11.045 273 HH12 ARG 32 2HH1 ARG 32 12.160 4.544 -12.546 274 HH21 ARG 32 1HH2 ARG 32 15.315 3.421 -13.570 275 HH22 ARG 32 2HH2 ARG 32 13.616 3.521 -13.976 276 H GLU 33 H GLU 33 12.274 4.351 -5.787 277 HA GLU 33 HA GLU 33 11.705 1.491 -6.218 278 HB2 GLU 33 1HB GLU 33 10.733 2.691 -4.267 279 HB3 GLU 33 2HB GLU 33 9.881 3.774 -5.358 280 HG2 GLU 33 1HG GLU 33 8.605 1.877 -6.259 281 HG3 GLU 33 2HG GLU 33 9.466 0.782 -5.181 282 H SER 34 H SER 34 10.602 0.618 -7.862 283 HA SER 34 HA SER 34 10.351 2.152 -10.297 284 HB2 SER 34 1HB SER 34 10.907 -0.199 -10.399 285 HB3 SER 34 2HB SER 34 9.448 -0.639 -9.525 286 HG SER 34 HG SER 34 9.817 -0.192 -12.120 287 H GLU 35 H GLU 35 8.611 3.012 -11.293 288 HA GLU 35 HA GLU 35 6.102 3.222 -9.794 289 HB2 GLU 35 1HB GLU 35 6.917 4.221 -12.552 290 HB3 GLU 35 2HB GLU 35 5.360 4.545 -11.803 291 HG2 GLU 35 1HG GLU 35 6.531 5.689 -9.934 292 HG3 GLU 35 2HG GLU 35 8.062 5.423 -10.765 293 H SER 36 H SER 36 7.385 1.418 -12.527 294 HA SER 36 HA SER 36 4.755 0.465 -13.368 295 HB2 SER 36 1HB SER 36 5.968 -0.833 -14.999 296 HB3 SER 36 2HB SER 36 6.656 0.782 -14.945 297 HG SER 36 HG SER 36 7.667 -1.259 -13.333 298 H ALA 37 H ALA 37 7.233 -0.528 -11.142 299 HA ALA 37 HA ALA 37 5.471 -2.795 -10.387 300 HB1 ALA 37 1HB ALA 37 7.446 -4.229 -9.983 301 HB2 ALA 37 2HB ALA 37 7.301 -3.773 -11.697 302 HB3 ALA 37 3HB ALA 37 8.495 -2.962 -10.657 303 HA PRO 38 HA PRO 38 6.422 0.078 -6.908 304 HB2 PRO 38 1HB PRO 38 3.698 -1.101 -6.223 305 HB3 PRO 38 2HB PRO 38 4.289 0.547 -5.972 306 HG2 PRO 38 1HG PRO 38 2.669 0.100 -8.029 307 HG3 PRO 38 2HG PRO 38 4.088 1.121 -8.276 308 HD2 PRO 38 1HD PRO 38 3.680 -1.805 -9.004 309 HD3 PRO 38 2HD PRO 38 4.471 -0.491 -9.963 310 H GLY 39 H GLY 39 7.276 -0.550 -4.960 311 HA2 GLY 39 1HA GLY 39 7.554 -2.022 -3.081 312 HA3 GLY 39 2HA GLY 39 6.808 -3.322 -3.991 313 H ASP 40 H ASP 40 8.508 -2.458 -6.399 314 HA ASP 40 HA ASP 40 11.020 -3.801 -5.512 315 HB2 ASP 40 1HB ASP 40 9.721 -3.546 -8.250 316 HB3 ASP 40 2HB ASP 40 11.348 -4.168 -8.010 317 H PHE 41 H PHE 41 13.043 -3.084 -6.440 318 HA PHE 41 HA PHE 41 13.012 -0.113 -6.780 319 HB2 PHE 41 1HB PHE 41 14.846 -1.881 -5.131 320 HB3 PHE 41 2HB PHE 41 15.295 -0.248 -5.596 321 HD1 PHE 41 HD1 PHE 41 12.806 -2.243 -3.712 322 HD2 PHE 41 HD2 PHE 41 14.436 1.636 -4.458 323 HE1 PHE 41 HE1 PHE 41 11.577 -1.351 -1.761 324 HE2 PHE 41 HE2 PHE 41 13.211 2.530 -2.506 325 HZ PHE 41 HZ PHE 41 11.779 1.035 -1.158 326 H SER 42 H SER 42 14.575 0.823 -8.124 327 HA SER 42 HA SER 42 16.341 -1.105 -9.573 328 HB2 SER 42 1HB SER 42 15.372 1.656 -10.380 329 HB3 SER 42 2HB SER 42 16.570 0.727 -11.268 330 HG SER 42 HG SER 42 14.984 -0.174 -12.178 331 H LEU 43 H LEU 43 18.521 -0.484 -9.973 332 HA LEU 43 HA LEU 43 19.518 1.663 -8.149 333 HB2 LEU 43 1HB LEU 43 20.030 -0.819 -7.555 334 HB3 LEU 43 2HB LEU 43 21.147 -0.761 -8.921 335 HG LEU 43 HG LEU 43 21.416 1.391 -6.866 336 HD11 LEU 43 1HD1 LEU 43 22.720 -0.087 -5.404 337 HD12 LEU 43 2HD1 LEU 43 21.016 -0.589 -5.494 338 HD13 LEU 43 3HD1 LEU 43 22.258 -1.484 -6.402 339 HD21 LEU 43 1HD2 LEU 43 23.801 1.007 -7.388 340 HD22 LEU 43 2HD2 LEU 43 23.354 -0.376 -8.416 341 HD23 LEU 43 3HD2 LEU 43 22.855 1.269 -8.873 342 H SER 44 H SER 44 20.152 3.330 -9.316 343 HA SER 44 HA SER 44 21.226 2.820 -12.044 344 HB2 SER 44 1HB SER 44 20.097 5.309 -10.728 345 HB3 SER 44 2HB SER 44 20.835 5.301 -12.323 346 HG SER 44 HG SER 44 19.297 3.934 -13.038 347 H VAL 45 H VAL 45 23.358 2.749 -12.235 348 HA VAL 45 HA VAL 45 24.941 4.018 -10.049 349 HB VAL 45 HB VAL 45 25.104 1.575 -10.102 350 HG11 VAL 45 1HG1 VAL 45 25.999 0.388 -12.046 351 HG12 VAL 45 2HG1 VAL 45 24.462 1.205 -12.413 352 HG13 VAL 45 3HG1 VAL 45 25.999 1.907 -12.973 353 HG21 VAL 45 1HG2 VAL 45 27.555 1.356 -10.372 354 HG22 VAL 45 2HG2 VAL 45 27.595 2.909 -11.243 355 HG23 VAL 45 3HG2 VAL 45 27.132 2.863 -9.524 356 H LYS 46 H LYS 46 26.260 5.630 -10.512 357 HA LYS 46 HA LYS 46 26.673 6.399 -13.312 358 HB2 LYS 46 1HB LYS 46 26.222 8.180 -11.742 359 HB3 LYS 46 2HB LYS 46 27.506 7.644 -10.667 360 HG2 LYS 46 1HG LYS 46 28.325 9.559 -11.786 361 HG3 LYS 46 2HG LYS 46 29.149 8.178 -12.523 362 HD2 LYS 46 1HD LYS 46 27.939 8.338 -14.510 363 HD3 LYS 46 2HD LYS 46 26.583 9.175 -13.740 364 HE2 LYS 46 1HE LYS 46 27.949 10.655 -15.215 365 HE3 LYS 46 2HE LYS 46 27.867 11.219 -13.543 366 HZ1 LYS 46 1HZ LYS 46 30.087 11.343 -14.409 367 HZ2 LYS 46 2HZ LYS 46 30.032 10.252 -13.173 368 HZ3 LYS 46 3HZ LYS 46 30.110 9.726 -14.734 369 H PHE 47 H PHE 47 27.899 4.612 -14.055 370 HA PHE 47 HA PHE 47 30.728 4.641 -13.127 371 HB2 PHE 47 1HB PHE 47 29.559 2.432 -13.341 372 HB3 PHE 47 2HB PHE 47 29.347 2.736 -15.058 373 HD1 PHE 47 HD1 PHE 47 31.002 2.132 -16.581 374 HD2 PHE 47 HD2 PHE 47 31.967 2.412 -12.430 375 HE1 PHE 47 HE1 PHE 47 33.220 1.139 -17.032 376 HE2 PHE 47 HE2 PHE 47 34.188 1.423 -12.876 377 HZ PHE 47 HZ PHE 47 34.813 0.784 -15.179 378 H GLY 48 H GLY 48 32.298 5.549 -14.278 379 HA2 GLY 48 1HA GLY 48 33.269 6.903 -15.890 380 HA3 GLY 48 2HA GLY 48 32.299 6.056 -17.080 381 H ASN 49 H ASN 49 31.377 7.582 -18.315 382 HA ASN 49 HA ASN 49 30.168 9.955 -16.993 383 HB2 ASN 49 1HB ASN 49 30.829 9.338 -19.887 384 HB3 ASN 49 2HB ASN 49 29.908 10.751 -19.388 385 HD21 ASN 49 1HD2 ASN 49 33.707 11.251 -19.629 386 HD22 ASN 49 2HD2 ASN 49 32.645 10.296 -20.611 387 H ASP 50 H ASP 50 29.230 6.932 -17.573 388 HA ASP 50 HA ASP 50 26.518 7.737 -18.540 389 HB2 ASP 50 1HB ASP 50 27.971 5.072 -18.781 390 HB3 ASP 50 2HB ASP 50 26.286 5.321 -19.218 391 H VAL 51 H VAL 51 24.748 6.248 -17.761 392 HA VAL 51 HA VAL 51 25.313 5.282 -14.989 393 HB VAL 51 HB VAL 51 22.687 6.428 -16.032 394 HG11 VAL 51 1HG1 VAL 51 21.986 6.338 -13.690 395 HG12 VAL 51 2HG1 VAL 51 22.372 4.724 -14.333 396 HG13 VAL 51 3HG1 VAL 51 23.524 5.554 -13.260 397 HG21 VAL 51 1HG2 VAL 51 23.188 8.335 -14.537 398 HG22 VAL 51 2HG2 VAL 51 24.764 7.610 -14.143 399 HG23 VAL 51 3HG2 VAL 51 24.431 8.164 -15.800 400 H GLN 52 H GLN 52 25.096 3.175 -14.747 401 HA GLN 52 HA GLN 52 23.498 1.659 -16.736 402 HB2 GLN 52 1HB GLN 52 25.902 1.016 -16.078 403 HB3 GLN 52 2HB GLN 52 25.240 0.516 -14.528 404 HG2 GLN 52 1HG GLN 52 25.430 -1.416 -15.886 405 HG3 GLN 52 2HG GLN 52 23.692 -1.023 -15.772 406 HE21 GLN 52 1HE2 GLN 52 24.152 -1.855 -19.272 407 HE22 GLN 52 2HE2 GLN 52 24.056 -2.632 -17.726 408 H HIS 53 H HIS 53 21.911 0.162 -16.150 409 HA HIS 53 HA HIS 53 20.582 0.875 -13.562 410 HB2 HIS 53 1HB HIS 53 19.250 1.575 -15.459 411 HB3 HIS 53 2HB HIS 53 19.423 0.005 -16.231 412 HD2 HIS 53 HD2 HIS 53 16.558 1.673 -14.579 413 HE1 HIS 53 HE1 HIS 53 16.446 -2.303 -13.087 414 H PHE 54 H PHE 54 20.773 -0.608 -12.056 415 HA PHE 54 HA PHE 54 20.630 -3.469 -12.874 416 HB2 PHE 54 1HB PHE 54 21.267 -2.331 -10.127 417 HB3 PHE 54 2HB PHE 54 21.450 -3.998 -10.650 418 HD1 PHE 54 HD1 PHE 54 22.558 -3.065 -13.475 419 HD2 PHE 54 HD2 PHE 54 23.585 -2.226 -9.414 420 HE1 PHE 54 HE1 PHE 54 24.885 -2.596 -14.163 421 HE2 PHE 54 HE2 PHE 54 25.913 -1.754 -10.098 422 HZ PHE 54 HZ PHE 54 26.564 -1.941 -12.474 423 H LYS 55 H LYS 55 19.201 -4.906 -11.816 424 HA LYS 55 HA LYS 55 16.708 -3.556 -10.911 425 HB2 LYS 55 1HB LYS 55 15.583 -5.671 -11.425 426 HB3 LYS 55 2HB LYS 55 16.492 -5.107 -12.821 427 HG2 LYS 55 1HG LYS 55 18.368 -6.690 -12.004 428 HG3 LYS 55 2HG LYS 55 17.117 -7.409 -10.979 429 HD2 LYS 55 1HD LYS 55 15.724 -7.472 -13.221 430 HD3 LYS 55 2HD LYS 55 17.316 -7.349 -13.982 431 HE2 LYS 55 1HE LYS 55 18.075 -9.349 -12.776 432 HE3 LYS 55 2HE LYS 55 16.524 -9.457 -11.938 433 HZ1 LYS 55 1HZ LYS 55 16.624 -10.939 -13.804 434 HZ2 LYS 55 2HZ LYS 55 15.465 -9.794 -14.064 435 HZ3 LYS 55 3HZ LYS 55 16.914 -9.695 -14.847 436 H VAL 56 H VAL 56 16.104 -3.567 -8.879 437 HA VAL 56 HA VAL 56 17.406 -5.545 -7.055 438 HB VAL 56 HB VAL 56 16.225 -2.814 -6.390 439 HG11 VAL 56 1HG1 VAL 56 17.238 -3.153 -4.190 440 HG12 VAL 56 2HG1 VAL 56 16.009 -4.386 -4.553 441 HG13 VAL 56 3HG1 VAL 56 17.738 -4.790 -4.674 442 HG21 VAL 56 1HG2 VAL 56 18.581 -2.153 -6.021 443 HG22 VAL 56 2HG2 VAL 56 19.115 -3.760 -6.567 444 HG23 VAL 56 3HG2 VAL 56 18.310 -2.656 -7.707 445 H LEU 57 H LEU 57 15.991 -7.229 -6.864 446 HA LEU 57 HA LEU 57 13.103 -6.516 -7.114 447 HB2 LEU 57 1HB LEU 57 14.519 -9.072 -7.947 448 HB3 LEU 57 2HB LEU 57 12.814 -8.689 -8.206 449 HG LEU 57 HG LEU 57 15.167 -7.249 -9.481 450 HD11 LEU 57 1HD1 LEU 57 14.375 -8.330 -11.539 451 HD12 LEU 57 2HD1 LEU 57 14.862 -9.524 -10.314 452 HD13 LEU 57 3HD1 LEU 57 13.136 -9.201 -10.604 453 HD21 LEU 57 1HD2 LEU 57 13.412 -6.128 -10.813 454 HD22 LEU 57 2HD2 LEU 57 12.158 -6.968 -9.868 455 HD23 LEU 57 3HD2 LEU 57 13.220 -5.778 -9.077 456 H ARG 58 H ARG 58 11.558 -7.570 -5.879 457 HA ARG 58 HA ARG 58 12.439 -8.971 -3.480 458 HB2 ARG 58 1HB ARG 58 9.691 -8.553 -4.701 459 HB3 ARG 58 2HB ARG 58 9.973 -9.361 -3.166 460 HG2 ARG 58 1HG ARG 58 10.724 -7.376 -2.127 461 HG3 ARG 58 2HG ARG 58 10.905 -6.536 -3.686 462 HD2 ARG 58 1HD ARG 58 8.299 -7.510 -2.540 463 HD3 ARG 58 2HD ARG 58 8.918 -5.847 -2.422 464 HE ARG 58 HE ARG 58 8.976 -6.433 -5.115 465 HH11 ARG 58 1HH1 ARG 58 6.519 -6.414 -2.603 466 HH12 ARG 58 2HH1 ARG 58 5.219 -6.016 -3.704 467 HH21 ARG 58 1HH2 ARG 58 7.278 -5.916 -6.534 468 HH22 ARG 58 2HH2 ARG 58 5.647 -5.734 -5.929 469 H ASP 59 H ASP 59 12.624 -11.099 -3.128 470 HA ASP 59 HA ASP 59 11.924 -12.968 -5.305 471 HB2 ASP 59 1HB ASP 59 13.090 -14.645 -4.010 472 HB3 ASP 59 2HB ASP 59 14.088 -13.199 -4.065 473 H GLY 60 H GLY 60 11.284 -15.239 -3.898 474 HA2 GLY 60 1HA GLY 60 8.446 -14.870 -3.700 475 HA3 GLY 60 2HA GLY 60 9.322 -16.340 -3.320 476 H ALA 61 H ALA 61 10.997 -14.463 -1.436 477 HA ALA 61 HA ALA 61 9.310 -15.005 0.910 478 HB1 ALA 61 1HB ALA 61 11.318 -14.353 2.200 479 HB2 ALA 61 2HB ALA 61 11.691 -15.599 0.985 480 HB3 ALA 61 3HB ALA 61 12.135 -13.903 0.685 481 H GLY 62 H GLY 62 9.642 -12.469 -1.237 482 HA2 GLY 62 1HA GLY 62 9.008 -10.209 -1.063 483 HA3 GLY 62 2HA GLY 62 8.724 -10.422 0.655 484 H LYS 63 H LYS 63 11.725 -11.685 -0.410 485 HA LYS 63 HA LYS 63 13.102 -9.490 1.032 486 HB2 LYS 63 1HB LYS 63 13.968 -12.288 0.218 487 HB3 LYS 63 2HB LYS 63 15.070 -11.111 0.919 488 HG2 LYS 63 1HG LYS 63 13.792 -11.047 2.978 489 HG3 LYS 63 2HG LYS 63 12.538 -12.080 2.276 490 HD2 LYS 63 1HD LYS 63 14.326 -13.851 1.936 491 HD3 LYS 63 2HD LYS 63 15.418 -12.829 2.882 492 HE2 LYS 63 1HE LYS 63 12.715 -13.736 3.918 493 HE3 LYS 63 2HE LYS 63 14.194 -14.670 4.160 494 HZ1 LYS 63 1HZ LYS 63 13.737 -13.244 6.016 495 HZ2 LYS 63 2HZ LYS 63 15.138 -12.773 5.286 496 HZ3 LYS 63 3HZ LYS 63 13.756 -11.901 5.060 497 H TYR 64 H TYR 64 14.804 -8.321 0.211 498 HA TYR 64 HA TYR 64 14.504 -7.949 -2.702 499 HB2 TYR 64 1HB TYR 64 15.783 -6.267 -0.515 500 HB3 TYR 64 2HB TYR 64 15.865 -5.845 -2.221 501 HD1 TYR 64 HD1 TYR 64 13.645 -6.220 0.696 502 HD2 TYR 64 HD2 TYR 64 13.952 -4.995 -3.405 503 HE1 TYR 64 HE1 TYR 64 11.455 -5.087 0.870 504 HE2 TYR 64 HE2 TYR 64 11.762 -3.861 -3.230 505 HH TYR 64 HH TYR 64 9.943 -3.559 -1.958 506 H PHE 65 H PHE 65 15.988 -8.328 -4.203 507 HA PHE 65 HA PHE 65 18.809 -8.676 -3.349 508 HB2 PHE 65 1HB PHE 65 19.089 -10.714 -4.622 509 HB3 PHE 65 2HB PHE 65 17.775 -10.952 -3.481 510 HD1 PHE 65 HD1 PHE 65 18.690 -10.644 -7.002 511 HD2 PHE 65 HD2 PHE 65 15.460 -11.105 -4.245 512 HE1 PHE 65 HE1 PHE 65 17.209 -11.336 -8.856 513 HE2 PHE 65 HE2 PHE 65 13.976 -11.800 -6.096 514 HZ PHE 65 HZ PHE 65 14.851 -11.914 -8.403 515 H LEU 66 H LEU 66 20.329 -8.631 -5.173 516 HA LEU 66 HA LEU 66 19.239 -6.971 -7.408 517 HB2 LEU 66 1HB LEU 66 20.698 -5.796 -5.647 518 HB3 LEU 66 2HB LEU 66 22.043 -6.753 -6.277 519 HG LEU 66 HG LEU 66 20.401 -4.989 -8.104 520 HD11 LEU 66 1HD1 LEU 66 22.041 -3.207 -7.706 521 HD12 LEU 66 2HD1 LEU 66 21.122 -3.594 -6.233 522 HD13 LEU 66 3HD1 LEU 66 22.790 -4.183 -6.421 523 HD21 LEU 66 1HD2 LEU 66 22.513 -5.010 -9.387 524 HD22 LEU 66 2HD2 LEU 66 23.270 -6.013 -8.126 525 HD23 LEU 66 3HD2 LEU 66 21.927 -6.665 -9.093 526 H TRP 67 H TRP 67 19.524 -7.757 -9.378 527 HA TRP 67 HA TRP 67 19.999 -9.352 -10.968 528 HB2 TRP 67 1HB TRP 67 22.711 -9.112 -9.621 529 HB3 TRP 67 2HB TRP 67 22.445 -10.117 -11.038 530 HD1 TRP 67 HD1 TRP 67 23.851 -6.938 -10.348 531 HE1 TRP 67 HE1 TRP 67 23.612 -5.255 -12.296 532 HE3 TRP 67 HE3 TRP 67 20.179 -9.332 -13.009 533 HZ2 TRP 67 HZ2 TRP 67 22.065 -5.004 -14.643 534 HZ3 TRP 67 HZ3 TRP 67 19.362 -8.315 -15.098 535 HH2 TRP 67 HH2 TRP 67 20.288 -6.187 -15.910 536 H VAL 68 H VAL 68 22.252 -10.712 -8.583 537 HA VAL 68 HA VAL 68 20.565 -13.167 -8.537 538 HB VAL 68 HB VAL 68 22.562 -14.544 -9.054 539 HG11 VAL 68 1HG1 VAL 68 22.705 -14.032 -11.442 540 HG12 VAL 68 2HG1 VAL 68 21.031 -13.955 -10.844 541 HG13 VAL 68 3HG1 VAL 68 21.936 -12.454 -11.149 542 HG21 VAL 68 1HG2 VAL 68 24.592 -13.444 -9.943 543 HG22 VAL 68 2HG2 VAL 68 23.878 -11.850 -9.596 544 HG23 VAL 68 3HG2 VAL 68 24.280 -12.957 -8.261 545 H VAL 69 H VAL 69 22.227 -10.875 -6.829 546 HA VAL 69 HA VAL 69 23.274 -12.836 -4.830 547 HB VAL 69 HB VAL 69 25.084 -11.643 -6.003 548 HG11 VAL 69 1HG1 VAL 69 25.323 -9.215 -5.819 549 HG12 VAL 69 2HG1 VAL 69 23.848 -9.675 -6.704 550 HG13 VAL 69 3HG1 VAL 69 23.738 -9.121 -5.015 551 HG21 VAL 69 1HG2 VAL 69 26.201 -10.677 -4.017 552 HG22 VAL 69 2HG2 VAL 69 24.641 -10.636 -3.162 553 HG23 VAL 69 3HG2 VAL 69 25.369 -12.196 -3.612 554 H LYS 70 H LYS 70 22.747 -12.595 -2.737 555 HA LYS 70 HA LYS 70 21.260 -10.135 -1.955 556 HB2 LYS 70 1HB LYS 70 19.860 -12.346 -2.534 557 HB3 LYS 70 2HB LYS 70 20.327 -12.785 -0.896 558 HG2 LYS 70 1HG LYS 70 19.191 -10.055 -1.266 559 HG3 LYS 70 2HG LYS 70 18.091 -11.426 -1.476 560 HD2 LYS 70 1HD LYS 70 18.420 -12.188 0.733 561 HD3 LYS 70 2HD LYS 70 19.915 -11.261 0.930 562 HE2 LYS 70 1HE LYS 70 18.570 -9.151 0.797 563 HE3 LYS 70 2HE LYS 70 17.101 -10.127 0.732 564 HZ1 LYS 70 1HZ LYS 70 17.570 -9.386 2.950 565 HZ2 LYS 70 2HZ LYS 70 17.676 -11.031 2.879 566 HZ3 LYS 70 3HZ LYS 70 19.048 -10.118 2.940 567 H PHE 71 H PHE 71 21.998 -9.243 -0.167 568 HA PHE 71 HA PHE 71 23.289 -11.042 1.843 569 HB2 PHE 71 1HB PHE 71 23.735 -8.107 1.208 570 HB3 PHE 71 2HB PHE 71 24.265 -8.824 2.721 571 HD1 PHE 71 HD1 PHE 71 24.643 -9.012 -0.964 572 HD2 PHE 71 HD2 PHE 71 26.245 -10.095 2.846 573 HE1 PHE 71 HE1 PHE 71 26.723 -9.775 -2.059 574 HE2 PHE 71 HE2 PHE 71 28.329 -10.857 1.754 575 HZ PHE 71 HZ PHE 71 28.568 -10.697 -0.699 576 H ASN 72 H ASN 72 23.233 -9.560 4.067 577 HA ASN 72 HA ASN 72 20.633 -10.033 5.064 578 HB2 ASN 72 1HB ASN 72 22.894 -8.299 6.093 579 HB3 ASN 72 2HB ASN 72 21.399 -8.539 6.987 580 HD21 ASN 72 1HD2 ASN 72 23.964 -10.994 8.102 581 HD22 ASN 72 2HD2 ASN 72 23.899 -9.268 7.966 582 H SER 73 H SER 73 21.942 -7.260 3.419 583 HA SER 73 HA SER 73 19.240 -6.137 3.255 584 HB2 SER 73 1HB SER 73 20.000 -5.126 5.334 585 HB3 SER 73 2HB SER 73 21.509 -4.625 4.588 586 HG SER 73 HG SER 73 18.950 -3.632 4.316 587 H LEU 74 H LEU 74 18.944 -4.777 1.502 588 HA LEU 74 HA LEU 74 20.663 -4.681 -0.687 589 HB2 LEU 74 1HB LEU 74 18.377 -3.864 -0.795 590 HB3 LEU 74 2HB LEU 74 18.743 -2.564 0.343 591 HG LEU 74 HG LEU 74 20.271 -1.554 -1.351 592 HD11 LEU 74 1HD1 LEU 74 20.184 -2.392 -3.658 593 HD12 LEU 74 2HD1 LEU 74 20.856 -3.604 -2.543 594 HD13 LEU 74 3HD1 LEU 74 19.181 -3.760 -3.123 595 HD21 LEU 74 1HD2 LEU 74 18.455 -0.769 -2.834 596 HD22 LEU 74 2HD2 LEU 74 17.426 -2.116 -2.288 597 HD23 LEU 74 3HD2 LEU 74 17.911 -0.845 -1.140 598 H ASN 75 H ASN 75 20.794 -2.822 2.295 599 HA ASN 75 HA ASN 75 22.639 -0.837 1.248 600 HB2 ASN 75 1HB ASN 75 21.731 -1.552 4.049 601 HB3 ASN 75 2HB ASN 75 22.898 -0.279 3.721 602 HD21 ASN 75 1HD2 ASN 75 19.402 1.067 3.929 603 HD22 ASN 75 2HD2 ASN 75 20.343 0.028 4.944 604 H GLU 76 H GLU 76 23.000 -4.056 2.068 605 HA GLU 76 HA GLU 76 25.846 -3.675 2.855 606 HB2 GLU 76 1HB GLU 76 24.480 -5.169 4.285 607 HB3 GLU 76 2HB GLU 76 24.099 -6.171 2.891 608 HG2 GLU 76 1HG GLU 76 26.425 -6.818 2.658 609 HG3 GLU 76 2HG GLU 76 26.896 -5.715 3.949 610 H LEU 77 H LEU 77 23.767 -5.293 0.464 611 HA LEU 77 HA LEU 77 25.928 -6.619 -0.885 612 HB2 LEU 77 1HB LEU 77 24.320 -7.225 -2.526 613 HB3 LEU 77 2HB LEU 77 23.469 -7.227 -0.978 614 HG LEU 77 HG LEU 77 22.768 -4.785 -1.684 615 HD11 LEU 77 1HD1 LEU 77 22.539 -4.556 -4.117 616 HD12 LEU 77 2HD1 LEU 77 24.246 -4.667 -3.624 617 HD13 LEU 77 3HD1 LEU 77 23.433 -6.076 -4.344 618 HD21 LEU 77 1HD2 LEU 77 20.781 -5.756 -2.787 619 HD22 LEU 77 2HD2 LEU 77 21.649 -7.296 -2.997 620 HD23 LEU 77 3HD2 LEU 77 21.254 -6.713 -1.363 621 H VAL 78 H VAL 78 24.619 -3.394 -1.046 622 HA VAL 78 HA VAL 78 26.001 -2.658 -3.486 623 HB VAL 78 HB VAL 78 25.589 -0.330 -2.726 624 HG11 VAL 78 1HG1 VAL 78 23.145 -0.427 -2.712 625 HG12 VAL 78 2HG1 VAL 78 23.848 -1.518 -3.930 626 HG13 VAL 78 3HG1 VAL 78 23.217 -2.177 -2.402 627 HG21 VAL 78 1HG2 VAL 78 24.368 0.043 -0.606 628 HG22 VAL 78 2HG2 VAL 78 24.486 -1.694 -0.235 629 HG23 VAL 78 3HG2 VAL 78 25.958 -0.697 -0.310 630 H ASP 79 H ASP 79 26.847 -2.888 -0.081 631 HA ASP 79 HA ASP 79 29.447 -1.641 -0.387 632 HB2 ASP 79 1HB ASP 79 28.224 -1.960 1.809 633 HB3 ASP 79 2HB ASP 79 28.568 -3.680 1.693 634 H TYR 80 H TYR 80 28.240 -5.002 -0.464 635 HA TYR 80 HA TYR 80 30.655 -6.284 -1.164 636 HB2 TYR 80 1HB TYR 80 28.651 -7.575 -0.733 637 HB3 TYR 80 2HB TYR 80 27.796 -6.801 -2.059 638 HD1 TYR 80 HD1 TYR 80 30.709 -8.999 -1.300 639 HD2 TYR 80 HD2 TYR 80 27.836 -7.704 -4.213 640 HE1 TYR 80 HE1 TYR 80 31.451 -10.793 -2.830 641 HE2 TYR 80 HE2 TYR 80 28.577 -9.498 -5.741 642 HH TYR 80 HH TYR 80 31.293 -11.618 -4.912 643 H HIS 81 H HIS 81 28.279 -4.654 -3.274 644 HA HIS 81 HA HIS 81 29.941 -5.057 -5.648 645 HB2 HIS 81 1HB HIS 81 27.409 -3.479 -5.108 646 HB3 HIS 81 2HB HIS 81 28.241 -3.424 -6.655 647 HD2 HIS 81 HD2 HIS 81 25.173 -5.143 -5.676 648 HE1 HIS 81 HE1 HIS 81 27.417 -8.200 -7.593 649 H ARG 82 H ARG 82 30.287 -3.087 -3.022 650 HA ARG 82 HA ARG 82 31.455 -0.839 -4.527 651 HB2 ARG 82 1HB ARG 82 30.316 -0.481 -2.338 652 HB3 ARG 82 2HB ARG 82 31.544 -1.463 -1.554 653 HG2 ARG 82 1HG ARG 82 33.267 0.152 -2.126 654 HG3 ARG 82 2HG ARG 82 32.086 1.120 -3.041 655 HD2 ARG 82 1HD ARG 82 32.433 2.095 -0.889 656 HD3 ARG 82 2HD ARG 82 30.792 1.412 -0.969 657 HE ARG 82 HE ARG 82 31.357 -0.136 0.642 658 HH11 ARG 82 1HH1 ARG 82 34.246 1.524 -0.470 659 HH12 ARG 82 2HH1 ARG 82 35.255 0.888 0.809 660 HH21 ARG 82 1HH2 ARG 82 32.677 -0.955 2.297 661 HH22 ARG 82 2HH2 ARG 82 34.369 -0.515 2.375 662 H SER 83 H SER 83 32.558 -3.510 -2.423 663 HA SER 83 HA SER 83 35.367 -2.893 -2.998 664 HB2 SER 83 1HB SER 83 35.871 -4.721 -1.517 665 HB3 SER 83 2HB SER 83 34.595 -3.759 -0.788 666 HG SER 83 HG SER 83 33.460 -5.542 -2.335 667 H THR 84 H THR 84 32.853 -4.839 -4.336 668 HA THR 84 HA THR 84 34.861 -6.077 -6.164 669 HB THR 84 HB THR 84 32.425 -7.472 -4.971 670 HG1 THR 84 HG1 THR 84 35.148 -7.430 -4.385 671 HG21 THR 84 1HG2 THR 84 33.221 -9.433 -6.230 672 HG22 THR 84 2HG2 THR 84 32.816 -8.094 -7.330 673 HG23 THR 84 3HG2 THR 84 34.517 -8.452 -6.950 674 H SER 85 H SER 85 34.335 -6.199 -8.286 675 HA SER 85 HA SER 85 32.473 -4.287 -9.274 676 HB2 SER 85 1HB SER 85 33.033 -5.118 -11.458 677 HB3 SER 85 2HB SER 85 34.494 -5.122 -10.483 678 HG SER 85 HG SER 85 33.318 -7.117 -11.724 679 H VAL 86 H VAL 86 30.526 -4.499 -10.385 680 HA VAL 86 HA VAL 86 28.708 -6.446 -9.324 681 HB VAL 86 HB VAL 86 28.183 -4.095 -10.235 682 HG11 VAL 86 1HG1 VAL 86 27.626 -3.951 -12.613 683 HG12 VAL 86 2HG1 VAL 86 29.354 -4.287 -12.353 684 HG13 VAL 86 3HG1 VAL 86 28.258 -5.596 -12.860 685 HG21 VAL 86 1HG2 VAL 86 25.937 -4.793 -11.002 686 HG22 VAL 86 2HG2 VAL 86 26.522 -6.463 -11.193 687 HG23 VAL 86 3HG2 VAL 86 26.447 -5.725 -9.575 688 H SER 87 H SER 87 30.890 -6.478 -12.003 689 HA SER 87 HA SER 87 29.831 -9.079 -12.902 690 HB2 SER 87 1HB SER 87 28.499 -7.656 -14.272 691 HB3 SER 87 2HB SER 87 29.847 -6.580 -14.607 692 HG SER 87 HG SER 87 29.079 -8.503 -16.054 693 H ARG 88 H ARG 88 31.273 -10.274 -14.188 694 HA ARG 88 HA ARG 88 34.070 -9.711 -13.784 695 HB2 ARG 88 1HB ARG 88 32.625 -11.708 -15.552 696 HB3 ARG 88 2HB ARG 88 34.376 -11.634 -15.410 697 HG2 ARG 88 1HG ARG 88 34.227 -12.136 -13.019 698 HG3 ARG 88 2HG ARG 88 32.451 -12.172 -13.134 699 HD2 ARG 88 1HD ARG 88 32.590 -14.010 -14.712 700 HD3 ARG 88 2HD ARG 88 34.366 -13.972 -14.600 701 HE ARG 88 HE ARG 88 33.409 -14.230 -11.992 702 HH11 ARG 88 1HH1 ARG 88 33.297 -16.056 -14.992 703 HH12 ARG 88 2HH1 ARG 88 33.201 -17.608 -14.190 704 HH21 ARG 88 1HH2 ARG 88 33.284 -16.251 -10.963 705 HH22 ARG 88 2HH2 ARG 88 33.194 -17.719 -11.910 706 H ASN 89 H ASN 89 31.759 -8.840 -16.218 707 HA ASN 89 HA ASN 89 33.964 -8.139 -18.105 708 HB2 ASN 89 1HB ASN 89 31.007 -8.604 -18.611 709 HB3 ASN 89 2HB ASN 89 32.158 -8.073 -19.829 710 HD21 ASN 89 1HD2 ASN 89 31.612 -11.867 -19.602 711 HD22 ASN 89 2HD2 ASN 89 30.487 -10.567 -19.392 712 H GLN 90 H GLN 90 31.167 -6.897 -16.369 713 HA GLN 90 HA GLN 90 31.796 -4.182 -17.437 714 HB2 GLN 90 1HB GLN 90 29.272 -5.116 -16.016 715 HB3 GLN 90 2HB GLN 90 29.535 -3.543 -16.753 716 HG2 GLN 90 1HG GLN 90 29.717 -4.610 -18.966 717 HG3 GLN 90 2HG GLN 90 29.406 -6.195 -18.203 718 HE21 GLN 90 1HE2 GLN 90 26.355 -3.959 -19.425 719 HE22 GLN 90 2HE2 GLN 90 28.002 -3.777 -19.933 720 H GLN 91 H GLN 91 33.392 -3.435 -16.124 721 HA GLN 91 HA GLN 91 33.467 -4.298 -13.342 722 HB2 GLN 91 1HB GLN 91 35.272 -2.438 -14.940 723 HB3 GLN 91 2HB GLN 91 35.582 -2.933 -13.282 724 HG2 GLN 91 1HG GLN 91 35.257 -4.918 -15.532 725 HG3 GLN 91 2HG GLN 91 36.823 -4.183 -15.086 726 HE21 GLN 91 1HE2 GLN 91 35.534 -7.432 -13.179 727 HE22 GLN 91 2HE2 GLN 91 34.932 -6.861 -14.700 728 H ILE 92 H ILE 92 31.270 -3.194 -13.041 729 HA ILE 92 HA ILE 92 31.625 -0.315 -12.391 730 HB ILE 92 HB ILE 92 29.108 -2.028 -12.523 731 HG12 ILE 92 1HG1 ILE 92 30.210 0.085 -14.389 732 HG13 ILE 92 2HG1 ILE 92 30.071 -1.636 -14.715 733 HG21 ILE 92 1HG2 ILE 92 27.907 0.105 -12.267 734 HG22 ILE 92 2HG2 ILE 92 28.920 -0.232 -10.844 735 HG23 ILE 92 3HG2 ILE 92 29.456 0.956 -12.055 736 HD11 ILE 92 1HD1 ILE 92 28.290 -0.391 -15.804 737 HD12 ILE 92 2HD1 ILE 92 27.624 -1.481 -14.565 738 HD13 ILE 92 3HD1 ILE 92 27.763 0.262 -14.236 739 H PHE 93 H PHE 93 31.627 0.464 -10.375 740 HA PHE 93 HA PHE 93 31.062 -1.474 -8.170 741 HB2 PHE 93 1HB PHE 93 32.756 1.039 -7.965 742 HB3 PHE 93 2HB PHE 93 32.602 -0.246 -6.780 743 HD1 PHE 93 HD1 PHE 93 33.999 0.652 -10.072 744 HD2 PHE 93 HD2 PHE 93 33.872 -2.260 -6.949 745 HE1 PHE 93 HE1 PHE 93 35.957 -0.490 -11.060 746 HE2 PHE 93 HE2 PHE 93 35.831 -3.404 -7.931 747 HZ PHE 93 HZ PHE 93 36.872 -2.519 -9.989 748 H LEU 94 H LEU 94 29.950 -0.732 -6.326 749 HA LEU 94 HA LEU 94 28.290 1.692 -6.833 750 HB2 LEU 94 1HB LEU 94 27.828 -0.629 -4.925 751 HB3 LEU 94 2HB LEU 94 26.743 0.745 -5.155 752 HG LEU 94 HG LEU 94 27.345 -1.503 -7.093 753 HD11 LEU 94 1HD1 LEU 94 24.910 -1.794 -6.976 754 HD12 LEU 94 2HD1 LEU 94 25.667 -1.927 -5.370 755 HD13 LEU 94 3HD1 LEU 94 24.803 -0.438 -5.828 756 HD21 LEU 94 1HD2 LEU 94 25.923 -0.285 -8.706 757 HD22 LEU 94 2HD2 LEU 94 25.829 1.094 -7.583 758 HD23 LEU 94 3HD2 LEU 94 27.389 0.647 -8.315 759 H ARG 95 H ARG 95 29.159 3.441 -5.944 760 HA ARG 95 HA ARG 95 30.541 3.116 -3.314 761 HB2 ARG 95 1HB ARG 95 31.023 5.120 -5.545 762 HB3 ARG 95 2HB ARG 95 31.806 5.177 -3.973 763 HG2 ARG 95 1HG ARG 95 32.706 2.851 -4.469 764 HG3 ARG 95 2HG ARG 95 32.129 3.097 -6.135 765 HD2 ARG 95 1HD ARG 95 33.479 5.127 -6.280 766 HD3 ARG 95 2HD ARG 95 34.084 4.824 -4.634 767 HE ARG 95 HE ARG 95 35.276 2.937 -5.431 768 HH11 ARG 95 1HH1 ARG 95 33.647 4.725 -7.978 769 HH12 ARG 95 2HH1 ARG 95 34.614 4.029 -9.258 770 HH21 ARG 95 1HH2 ARG 95 36.526 2.040 -7.102 771 HH22 ARG 95 2HH2 ARG 95 36.244 2.508 -8.763 772 H ASP 96 H ASP 96 30.468 4.939 -1.847 773 HA ASP 96 HA ASP 96 29.532 6.907 -0.969 774 HB2 ASP 96 1HB ASP 96 28.843 7.427 -3.431 775 HB3 ASP 96 2HB ASP 96 27.276 6.768 -2.984 Start of MODEL 17 1 H1 MET 1 1H MET 1 -2.159 2.930 -3.401 2 H2 MET 1 2H MET 1 -1.723 4.333 -2.689 3 H3 MET 1 3H MET 1 -1.239 4.007 -4.214 4 HA MET 1 HA MET 1 -0.445 2.576 -1.806 5 HB2 MET 1 1HB MET 1 -0.618 1.099 -3.779 6 HB3 MET 1 2HB MET 1 0.384 2.200 -4.712 7 HG2 MET 1 1HG MET 1 2.295 1.753 -3.266 8 HG3 MET 1 2HG MET 1 1.300 0.733 -2.222 9 HE1 MET 1 1HE MET 1 3.777 -1.711 -4.155 10 HE2 MET 1 2HE MET 1 4.118 -0.015 -3.731 11 HE3 MET 1 3HE MET 1 3.304 -1.080 -2.559 12 H LYS 2 H LYS 2 0.517 4.154 -0.674 13 HA LYS 2 HA LYS 2 2.127 6.229 -1.798 14 HB2 LYS 2 1HB LYS 2 1.172 6.285 0.502 15 HB3 LYS 2 2HB LYS 2 2.262 4.991 0.982 16 HG2 LYS 2 1HG LYS 2 4.201 6.440 0.555 17 HG3 LYS 2 2HG LYS 2 3.122 7.738 0.028 18 HD2 LYS 2 1HD LYS 2 2.069 7.786 2.260 19 HD3 LYS 2 2HD LYS 2 3.124 6.468 2.791 20 HE2 LYS 2 1HE LYS 2 5.107 7.888 2.389 21 HE3 LYS 2 2HE LYS 2 4.060 9.204 1.850 22 HZ1 LYS 2 1HZ LYS 2 4.704 9.466 4.131 23 HZ2 LYS 2 2HZ LYS 2 3.073 9.237 4.037 24 HZ3 LYS 2 3HZ LYS 2 4.052 8.008 4.541 25 HA PRO 3 HA PRO 3 5.614 3.839 -2.871 26 HB2 PRO 3 1HB PRO 3 7.236 5.860 -3.751 27 HB3 PRO 3 2HB PRO 3 5.809 5.345 -4.660 28 HG2 PRO 3 1HG PRO 3 6.093 7.674 -2.711 29 HG3 PRO 3 2HG PRO 3 5.395 7.687 -4.333 30 HD2 PRO 3 1HD PRO 3 3.822 7.478 -2.118 31 HD3 PRO 3 2HD PRO 3 3.407 6.618 -3.655 32 H HIS 4 H HIS 4 8.039 3.853 -2.395 33 HA HIS 4 HA HIS 4 8.387 4.047 0.474 34 HB2 HIS 4 1HB HIS 4 10.246 3.350 -1.815 35 HB3 HIS 4 2HB HIS 4 10.811 3.453 -0.153 36 HD2 HIS 4 HD2 HIS 4 8.546 1.141 -2.372 37 HE1 HIS 4 HE1 HIS 4 9.192 -0.759 1.387 38 HA PRO 5 HA PRO 5 9.974 8.134 0.618 39 HB2 PRO 5 1HB PRO 5 10.797 8.164 3.222 40 HB3 PRO 5 2HB PRO 5 9.082 8.171 2.792 41 HG2 PRO 5 1HG PRO 5 10.838 5.819 3.611 42 HG3 PRO 5 2HG PRO 5 9.227 6.240 4.199 43 HD2 PRO 5 1HD PRO 5 9.610 4.370 2.233 44 HD3 PRO 5 2HD PRO 5 8.146 5.432 2.277 45 H TRP 6 H TRP 6 11.692 5.197 0.890 46 HA TRP 6 HA TRP 6 14.288 6.066 1.637 47 HB2 TRP 6 1HB TRP 6 13.412 3.795 -0.190 48 HB3 TRP 6 2HB TRP 6 15.061 4.019 0.374 49 HD1 TRP 6 HD1 TRP 6 11.936 2.288 1.283 50 HE1 TRP 6 HE1 TRP 6 12.034 1.373 3.700 51 HE3 TRP 6 HE3 TRP 6 16.062 4.851 2.926 52 HZ2 TRP 6 HZ2 TRP 6 13.663 1.709 5.981 53 HZ3 TRP 6 HZ3 TRP 6 16.838 4.511 5.239 54 HH2 TRP 6 HH2 TRP 6 15.663 2.963 6.747 55 H PHE 7 H PHE 7 15.991 6.920 0.577 56 HA PHE 7 HA PHE 7 16.965 8.359 -0.937 57 HB2 PHE 7 1HB PHE 7 15.998 6.029 -2.516 58 HB3 PHE 7 2HB PHE 7 16.380 7.463 -3.454 59 HD1 PHE 7 HD1 PHE 7 17.744 4.946 -1.125 60 HD2 PHE 7 HD2 PHE 7 18.630 8.186 -3.764 61 HE1 PHE 7 HE1 PHE 7 20.146 4.368 -1.026 62 HE2 PHE 7 HE2 PHE 7 21.031 7.610 -3.671 63 HZ PHE 7 HZ PHE 7 21.790 5.701 -2.299 64 H PHE 8 H PHE 8 14.579 7.651 -3.383 65 HA PHE 8 HA PHE 8 13.448 10.384 -3.008 66 HB2 PHE 8 1HB PHE 8 14.638 9.256 -5.574 67 HB3 PHE 8 2HB PHE 8 13.680 10.727 -5.490 68 HD1 PHE 8 HD1 PHE 8 16.873 9.156 -4.556 69 HD2 PHE 8 HD2 PHE 8 14.592 12.766 -4.613 70 HE1 PHE 8 HE1 PHE 8 18.916 10.452 -4.045 71 HE2 PHE 8 HE2 PHE 8 16.632 14.067 -4.106 72 HZ PHE 8 HZ PHE 8 18.795 12.908 -3.820 73 H GLY 9 H GLY 9 12.651 7.352 -2.884 74 HA2 GLY 9 1HA GLY 9 10.819 6.046 -3.443 75 HA3 GLY 9 2HA GLY 9 9.944 7.553 -3.647 76 H LYS 10 H LYS 10 8.870 7.399 -5.522 77 HA LYS 10 HA LYS 10 10.025 6.014 -7.826 78 HB2 LYS 10 1HB LYS 10 7.429 7.554 -7.442 79 HB3 LYS 10 2HB LYS 10 7.883 6.770 -8.948 80 HG2 LYS 10 1HG LYS 10 7.826 4.590 -7.919 81 HG3 LYS 10 2HG LYS 10 7.610 5.300 -6.313 82 HD2 LYS 10 1HD LYS 10 5.425 6.170 -6.927 83 HD3 LYS 10 2HD LYS 10 5.650 5.662 -8.608 84 HE2 LYS 10 1HE LYS 10 5.712 3.304 -7.905 85 HE3 LYS 10 2HE LYS 10 5.543 3.787 -6.216 86 HZ1 LYS 10 1HZ LYS 10 3.453 3.127 -7.157 87 HZ2 LYS 10 2HZ LYS 10 3.402 4.727 -6.759 88 HZ3 LYS 10 3HZ LYS 10 3.560 4.274 -8.337 89 H ILE 11 H ILE 11 11.892 7.718 -7.485 90 HA ILE 11 HA ILE 11 11.471 10.222 -8.897 91 HB ILE 11 HB ILE 11 13.323 9.716 -7.178 92 HG12 ILE 11 1HG1 ILE 11 14.043 10.979 -9.834 93 HG13 ILE 11 2HG1 ILE 11 13.223 11.771 -8.497 94 HG21 ILE 11 1HG2 ILE 11 15.403 8.788 -8.113 95 HG22 ILE 11 2HG2 ILE 11 14.085 7.594 -8.175 96 HG23 ILE 11 3HG2 ILE 11 14.570 8.462 -9.652 97 HD11 ILE 11 1HD1 ILE 11 15.578 12.367 -8.557 98 HD12 ILE 11 2HD1 ILE 11 15.202 11.452 -7.076 99 HD13 ILE 11 3HD1 ILE 11 16.034 10.651 -8.432 100 HA PRO 12 HA PRO 12 12.013 8.631 -13.008 101 HB2 PRO 12 1HB PRO 12 12.291 11.005 -14.308 102 HB3 PRO 12 2HB PRO 12 10.724 10.487 -13.673 103 HG2 PRO 12 1HG PRO 12 12.764 12.371 -12.409 104 HG3 PRO 12 2HG PRO 12 11.033 12.636 -12.639 105 HD2 PRO 12 1HD PRO 12 12.033 11.736 -10.265 106 HD3 PRO 12 2HD PRO 12 10.423 11.189 -10.882 107 H ARG 13 H ARG 13 13.811 8.205 -14.285 108 HA ARG 13 HA ARG 13 16.437 8.660 -13.292 109 HB2 ARG 13 1HB ARG 13 15.439 7.954 -16.069 110 HB3 ARG 13 2HB ARG 13 17.143 8.007 -15.639 111 HG2 ARG 13 1HG ARG 13 16.985 6.140 -14.245 112 HG3 ARG 13 2HG ARG 13 15.217 6.283 -14.092 113 HD2 ARG 13 1HD ARG 13 15.762 4.445 -15.518 114 HD3 ARG 13 2HD ARG 13 15.012 5.740 -16.479 115 HE ARG 13 HE ARG 13 17.843 6.014 -16.521 116 HH11 ARG 13 1HH1 ARG 13 15.259 3.998 -17.786 117 HH12 ARG 13 2HH1 ARG 13 16.146 3.543 -19.222 118 HH21 ARG 13 1HH2 ARG 13 18.986 5.415 -18.391 119 HH22 ARG 13 2HH2 ARG 13 18.256 4.345 -19.566 120 H ALA 14 H ALA 14 14.310 10.643 -15.195 121 HA ALA 14 HA ALA 14 16.032 12.443 -16.420 122 HB1 ALA 14 1HB ALA 14 14.303 14.164 -16.008 123 HB2 ALA 14 2HB ALA 14 13.586 12.622 -16.534 124 HB3 ALA 14 3HB ALA 14 13.530 13.089 -14.819 125 H LYS 15 H LYS 15 15.286 12.152 -12.972 126 HA LYS 15 HA LYS 15 17.208 14.306 -12.348 127 HB2 LYS 15 1HB LYS 15 15.662 12.466 -10.479 128 HB3 LYS 15 2HB LYS 15 16.595 13.878 -10.005 129 HG2 LYS 15 1HG LYS 15 13.938 13.728 -11.383 130 HG3 LYS 15 2HG LYS 15 14.440 14.701 -9.993 131 HD2 LYS 15 1HD LYS 15 15.550 15.157 -12.779 132 HD3 LYS 15 2HD LYS 15 14.075 15.947 -12.201 133 HE2 LYS 15 1HE LYS 15 15.365 16.882 -10.281 134 HE3 LYS 15 2HE LYS 15 16.832 16.150 -10.936 135 HZ1 LYS 15 1HZ LYS 15 16.631 18.440 -11.570 136 HZ2 LYS 15 2HZ LYS 15 16.547 17.483 -12.910 137 HZ3 LYS 15 3HZ LYS 15 15.177 18.168 -12.298 138 H ALA 16 H ALA 16 16.877 10.774 -11.817 139 HA ALA 16 HA ALA 16 19.064 10.684 -10.006 140 HB1 ALA 16 1HB ALA 16 18.927 8.230 -10.284 141 HB2 ALA 16 2HB ALA 16 17.318 8.960 -10.067 142 HB3 ALA 16 3HB ALA 16 17.856 8.456 -11.686 143 H GLU 17 H GLU 17 18.917 10.503 -13.492 144 HA GLU 17 HA GLU 17 21.758 9.734 -13.674 145 HB2 GLU 17 1HB GLU 17 19.765 10.534 -15.833 146 HB3 GLU 17 2HB GLU 17 21.394 9.941 -16.124 147 HG2 GLU 17 1HG GLU 17 20.755 7.811 -14.966 148 HG3 GLU 17 2HG GLU 17 19.103 8.416 -14.874 149 H GLU 18 H GLU 18 19.704 12.593 -14.056 150 HA GLU 18 HA GLU 18 21.721 14.406 -14.906 151 HB2 GLU 18 1HB GLU 18 19.310 14.962 -14.866 152 HB3 GLU 18 2HB GLU 18 19.312 14.901 -13.109 153 HG2 GLU 18 1HG GLU 18 20.966 16.775 -13.099 154 HG3 GLU 18 2HG GLU 18 20.799 16.877 -14.850 155 H MET 19 H MET 19 20.884 13.140 -11.714 156 HA MET 19 HA MET 19 22.423 15.005 -10.193 157 HB2 MET 19 1HB MET 19 21.494 12.170 -9.635 158 HB3 MET 19 2HB MET 19 22.379 13.122 -8.451 159 HG2 MET 19 1HG MET 19 20.559 14.879 -8.661 160 HG3 MET 19 2HG MET 19 19.650 13.708 -9.620 161 HE1 MET 19 1HE MET 19 17.519 12.415 -6.901 162 HE2 MET 19 2HE MET 19 17.611 13.847 -7.957 163 HE3 MET 19 3HE MET 19 17.950 12.228 -8.619 164 H LEU 20 H LEU 20 23.267 11.934 -11.754 165 HA LEU 20 HA LEU 20 25.791 11.809 -10.255 166 HB2 LEU 20 1HB LEU 20 24.740 9.977 -12.439 167 HB3 LEU 20 2HB LEU 20 26.083 9.645 -11.341 168 HG LEU 20 HG LEU 20 23.192 9.980 -10.469 169 HD11 LEU 20 1HD1 LEU 20 23.222 7.540 -10.201 170 HD12 LEU 20 2HD1 LEU 20 23.476 8.019 -11.895 171 HD13 LEU 20 3HD1 LEU 20 24.855 7.483 -10.906 172 HD21 LEU 20 1HD2 LEU 20 24.044 9.027 -8.353 173 HD22 LEU 20 2HD2 LEU 20 25.689 8.991 -9.031 174 HD23 LEU 20 3HD2 LEU 20 24.877 10.549 -8.751 175 H SER 21 H SER 21 24.670 12.464 -13.541 176 HA SER 21 HA SER 21 27.307 12.597 -14.707 177 HB2 SER 21 1HB SER 21 26.221 13.544 -16.614 178 HB3 SER 21 2HB SER 21 25.153 12.307 -15.970 179 HG SER 21 HG SER 21 24.390 14.305 -14.693 180 H LYS 22 H LYS 22 25.496 14.697 -12.663 181 HA LYS 22 HA LYS 22 27.347 16.944 -13.240 182 HB2 LYS 22 1HB LYS 22 24.902 16.705 -11.447 183 HB3 LYS 22 2HB LYS 22 25.939 18.125 -11.479 184 HG2 LYS 22 1HG LYS 22 25.412 18.498 -13.840 185 HG3 LYS 22 2HG LYS 22 24.428 17.028 -13.868 186 HD2 LYS 22 1HD LYS 22 22.865 17.968 -12.268 187 HD3 LYS 22 2HD LYS 22 23.902 19.380 -12.017 188 HE2 LYS 22 1HE LYS 22 23.557 20.088 -14.334 189 HE3 LYS 22 2HE LYS 22 22.613 18.635 -14.669 190 HZ1 LYS 22 1HZ LYS 22 21.212 20.516 -14.239 191 HZ2 LYS 22 2HZ LYS 22 20.998 19.383 -13.059 192 HZ3 LYS 22 3HZ LYS 22 21.880 20.742 -12.747 193 H GLN 23 H GLN 23 26.629 14.485 -10.836 194 HA GLN 23 HA GLN 23 28.343 15.521 -8.779 195 HB2 GLN 23 1HB GLN 23 26.576 13.765 -8.441 196 HB3 GLN 23 2HB GLN 23 27.580 12.625 -9.325 197 HG2 GLN 23 1HG GLN 23 27.867 12.236 -6.993 198 HG3 GLN 23 2HG GLN 23 29.373 12.964 -7.618 199 HE21 GLN 23 1HE2 GLN 23 29.379 15.406 -5.172 200 HE22 GLN 23 2HE2 GLN 23 30.243 14.305 -6.194 201 H ARG 24 H ARG 24 28.881 13.399 -11.559 202 HA ARG 24 HA ARG 24 30.818 12.594 -12.506 203 HB2 ARG 24 1HB ARG 24 32.333 14.698 -10.947 204 HB3 ARG 24 2HB ARG 24 32.755 13.977 -12.493 205 HG2 ARG 24 1HG ARG 24 30.480 15.902 -11.963 206 HG3 ARG 24 2HG ARG 24 31.999 16.234 -12.831 207 HD2 ARG 24 1HD ARG 24 29.940 14.209 -13.675 208 HD3 ARG 24 2HD ARG 24 30.065 15.868 -14.305 209 HE ARG 24 HE ARG 24 32.571 14.534 -14.542 210 HH11 ARG 24 1HH1 ARG 24 29.349 14.618 -15.940 211 HH12 ARG 24 2HH1 ARG 24 29.881 14.065 -17.513 212 HH21 ARG 24 1HH2 ARG 24 33.249 13.817 -16.588 213 HH22 ARG 24 2HH2 ARG 24 32.089 13.612 -17.880 214 H HIS 25 H HIS 25 29.903 11.594 -9.884 215 HA HIS 25 HA HIS 25 32.493 10.673 -8.721 216 HB2 HIS 25 1HB HIS 25 30.890 11.524 -7.094 217 HB3 HIS 25 2HB HIS 25 29.635 10.458 -7.711 218 HD2 HIS 25 HD2 HIS 25 32.171 7.821 -7.651 219 HE1 HIS 25 HE1 HIS 25 31.272 8.397 -3.539 220 H ASP 26 H ASP 26 33.262 9.114 -10.028 221 HA ASP 26 HA ASP 26 31.592 7.323 -11.502 222 HB2 ASP 26 1HB ASP 26 33.698 6.096 -11.973 223 HB3 ASP 26 2HB ASP 26 33.861 7.825 -12.244 224 H GLY 27 H GLY 27 30.554 5.552 -10.941 225 HA2 GLY 27 1HA GLY 27 30.427 3.418 -9.782 226 HA3 GLY 27 2HA GLY 27 31.436 4.070 -8.504 227 H ALA 28 H ALA 28 29.769 6.667 -8.780 228 HA ALA 28 HA ALA 28 28.043 6.206 -6.583 229 HB1 ALA 28 1HB ALA 28 27.087 8.423 -7.122 230 HB2 ALA 28 2HB ALA 28 28.867 8.437 -7.187 231 HB3 ALA 28 3HB ALA 28 27.920 8.390 -8.693 232 H PHE 29 H PHE 29 25.770 6.183 -6.408 233 HA PHE 29 HA PHE 29 24.294 5.348 -8.836 234 HB2 PHE 29 1HB PHE 29 23.477 3.290 -7.763 235 HB3 PHE 29 2HB PHE 29 25.224 3.251 -7.943 236 HD1 PHE 29 HD1 PHE 29 22.446 3.547 -5.560 237 HD2 PHE 29 HD2 PHE 29 26.686 3.297 -6.026 238 HE1 PHE 29 HE1 PHE 29 22.683 3.072 -3.145 239 HE2 PHE 29 HE2 PHE 29 26.926 2.820 -3.613 240 HZ PHE 29 HZ PHE 29 24.922 2.709 -2.171 241 H LEU 30 H LEU 30 21.986 5.268 -8.545 242 HA LEU 30 HA LEU 30 21.027 6.439 -5.974 243 HB2 LEU 30 1HB LEU 30 21.050 8.068 -7.957 244 HB3 LEU 30 2HB LEU 30 19.787 7.059 -8.670 245 HG LEU 30 HG LEU 30 19.339 8.079 -5.891 246 HD11 LEU 30 1HD1 LEU 30 18.519 10.220 -6.771 247 HD12 LEU 30 2HD1 LEU 30 20.266 10.022 -7.044 248 HD13 LEU 30 3HD1 LEU 30 19.124 9.786 -8.387 249 HD21 LEU 30 1HD2 LEU 30 17.028 8.200 -6.758 250 HD22 LEU 30 2HD2 LEU 30 17.611 7.738 -8.375 251 HD23 LEU 30 3HD2 LEU 30 17.729 6.585 -7.025 252 H ILE 31 H ILE 31 19.736 5.089 -4.964 253 HA ILE 31 HA ILE 31 18.380 2.963 -6.521 254 HB ILE 31 HB ILE 31 18.883 3.348 -3.546 255 HG12 ILE 31 1HG1 ILE 31 19.717 1.045 -5.299 256 HG13 ILE 31 2HG1 ILE 31 20.682 2.508 -5.188 257 HG21 ILE 31 1HG2 ILE 31 17.756 1.183 -3.221 258 HG22 ILE 31 2HG2 ILE 31 16.630 2.399 -3.867 259 HG23 ILE 31 3HG2 ILE 31 17.307 1.154 -4.943 260 HD11 ILE 31 1HD1 ILE 31 21.495 0.803 -3.658 261 HD12 ILE 31 2HD1 ILE 31 20.878 2.210 -2.757 262 HD13 ILE 31 3HD1 ILE 31 19.902 0.727 -2.870 263 H ARG 32 H ARG 32 16.239 2.816 -6.808 264 HA ARG 32 HA ARG 32 14.483 4.784 -5.467 265 HB2 ARG 32 1HB ARG 32 13.691 5.743 -7.544 266 HB3 ARG 32 2HB ARG 32 15.430 5.965 -7.435 267 HG2 ARG 32 1HG ARG 32 15.674 3.917 -8.915 268 HG3 ARG 32 2HG ARG 32 13.915 4.019 -9.176 269 HD2 ARG 32 1HD ARG 32 14.179 6.290 -10.003 270 HD3 ARG 32 2HD ARG 32 15.936 6.172 -9.758 271 HE ARG 32 HE ARG 32 16.103 4.955 -11.688 272 HH11 ARG 32 1HH1 ARG 32 12.744 4.980 -10.655 273 HH12 ARG 32 2HH1 ARG 32 12.159 4.214 -12.115 274 HH21 ARG 32 1HH2 ARG 32 15.331 3.962 -13.578 275 HH22 ARG 32 2HH2 ARG 32 13.622 3.638 -13.771 276 H GLU 33 H GLU 33 12.181 4.531 -6.198 277 HA GLU 33 HA GLU 33 11.587 1.645 -6.449 278 HB2 GLU 33 1HB GLU 33 10.467 3.054 -4.694 279 HB3 GLU 33 2HB GLU 33 9.699 3.985 -5.972 280 HG2 GLU 33 1HG GLU 33 8.471 2.047 -6.729 281 HG3 GLU 33 2HG GLU 33 9.340 1.005 -5.604 282 H SER 34 H SER 34 10.590 0.692 -8.127 283 HA SER 34 HA SER 34 10.501 2.093 -10.661 284 HB2 SER 34 1HB SER 34 11.037 -0.268 -10.602 285 HB3 SER 34 2HB SER 34 9.525 -0.644 -9.790 286 HG SER 34 HG SER 34 9.917 -0.683 -12.278 287 H GLU 35 H GLU 35 8.829 2.942 -11.765 288 HA GLU 35 HA GLU 35 6.226 3.150 -10.399 289 HB2 GLU 35 1HB GLU 35 7.213 4.276 -13.052 290 HB3 GLU 35 2HB GLU 35 5.631 4.598 -12.355 291 HG2 GLU 35 1HG GLU 35 6.765 5.603 -10.369 292 HG3 GLU 35 2HG GLU 35 8.310 5.377 -11.186 293 H SER 36 H SER 36 7.746 1.006 -12.506 294 HA SER 36 HA SER 36 5.202 0.231 -13.829 295 HB2 SER 36 1HB SER 36 6.585 -1.166 -15.258 296 HB3 SER 36 2HB SER 36 7.230 0.469 -15.224 297 HG SER 36 HG SER 36 8.444 -0.552 -13.308 298 H ALA 37 H ALA 37 7.446 -0.764 -11.353 299 HA ALA 37 HA ALA 37 5.517 -2.915 -10.674 300 HB1 ALA 37 1HB ALA 37 7.375 -4.423 -10.044 301 HB2 ALA 37 2HB ALA 37 7.402 -4.033 -11.780 302 HB3 ALA 37 3HB ALA 37 8.541 -3.235 -10.671 303 HA PRO 38 HA PRO 38 6.264 0.098 -7.286 304 HB2 PRO 38 1HB PRO 38 3.512 -1.072 -6.691 305 HB3 PRO 38 2HB PRO 38 4.079 0.589 -6.477 306 HG2 PRO 38 1HG PRO 38 2.587 0.042 -8.608 307 HG3 PRO 38 2HG PRO 38 4.015 1.062 -8.813 308 HD2 PRO 38 1HD PRO 38 3.655 -1.889 -9.452 309 HD3 PRO 38 2HD PRO 38 4.526 -0.614 -10.395 310 H GLY 39 H GLY 39 7.064 -0.403 -5.289 311 HA2 GLY 39 1HA GLY 39 7.267 -1.751 -3.303 312 HA3 GLY 39 2HA GLY 39 6.566 -3.111 -4.160 313 H ASP 40 H ASP 40 8.291 -2.542 -6.565 314 HA ASP 40 HA ASP 40 10.774 -3.796 -5.528 315 HB2 ASP 40 1HB ASP 40 9.559 -3.579 -8.302 316 HB3 ASP 40 2HB ASP 40 11.207 -4.131 -8.044 317 H PHE 41 H PHE 41 12.851 -3.110 -6.307 318 HA PHE 41 HA PHE 41 12.883 -0.136 -6.579 319 HB2 PHE 41 1HB PHE 41 14.788 -2.064 -5.211 320 HB3 PHE 41 2HB PHE 41 15.232 -0.403 -5.571 321 HD1 PHE 41 HD1 PHE 41 12.054 0.276 -5.069 322 HD2 PHE 41 HD2 PHE 41 15.287 -1.402 -2.835 323 HE1 PHE 41 HE1 PHE 41 10.986 1.019 -2.967 324 HE2 PHE 41 HE2 PHE 41 14.220 -0.662 -0.731 325 HZ PHE 41 HZ PHE 41 12.069 0.551 -0.798 326 H SER 42 H SER 42 14.533 0.849 -7.860 327 HA SER 42 HA SER 42 16.084 -1.058 -9.565 328 HB2 SER 42 1HB SER 42 15.152 1.761 -10.198 329 HB3 SER 42 2HB SER 42 16.260 0.833 -11.197 330 HG SER 42 HG SER 42 14.591 0.022 -12.038 331 H LEU 43 H LEU 43 18.257 -0.529 -10.025 332 HA LEU 43 HA LEU 43 19.426 1.526 -8.196 333 HB2 LEU 43 1HB LEU 43 19.891 -1.022 -7.785 334 HB3 LEU 43 2HB LEU 43 20.964 -0.876 -9.179 335 HG LEU 43 HG LEU 43 21.300 1.087 -6.938 336 HD11 LEU 43 1HD1 LEU 43 22.711 -0.512 -5.722 337 HD12 LEU 43 2HD1 LEU 43 21.015 -1.045 -5.783 338 HD13 LEU 43 3HD1 LEU 43 22.224 -1.800 -6.850 339 HD21 LEU 43 1HD2 LEU 43 23.662 0.827 -7.621 340 HD22 LEU 43 2HD2 LEU 43 23.189 -0.442 -8.776 341 HD23 LEU 43 3HD2 LEU 43 22.634 1.232 -9.016 342 H SER 44 H SER 44 19.979 3.232 -9.354 343 HA SER 44 HA SER 44 20.926 2.827 -12.139 344 HB2 SER 44 1HB SER 44 20.007 5.279 -10.611 345 HB3 SER 44 2HB SER 44 20.691 5.352 -12.227 346 HG SER 44 HG SER 44 19.041 4.222 -13.009 347 H VAL 45 H VAL 45 23.029 2.600 -12.424 348 HA VAL 45 HA VAL 45 24.832 3.778 -10.359 349 HB VAL 45 HB VAL 45 24.854 1.302 -10.533 350 HG11 VAL 45 1HG1 VAL 45 25.712 0.208 -12.546 351 HG12 VAL 45 2HG1 VAL 45 24.193 1.082 -12.858 352 HG13 VAL 45 3HG1 VAL 45 25.744 1.779 -13.384 353 HG21 VAL 45 1HG2 VAL 45 27.297 1.041 -10.829 354 HG22 VAL 45 2HG2 VAL 45 27.371 2.639 -11.609 355 HG23 VAL 45 3HG2 VAL 45 26.915 2.506 -9.894 356 H LYS 46 H LYS 46 26.133 5.377 -10.910 357 HA LYS 46 HA LYS 46 26.520 6.020 -13.764 358 HB2 LYS 46 1HB LYS 46 26.117 7.979 -12.558 359 HB3 LYS 46 2HB LYS 46 27.030 7.437 -11.157 360 HG2 LYS 46 1HG LYS 46 28.403 9.077 -12.023 361 HG3 LYS 46 2HG LYS 46 29.103 7.616 -12.735 362 HD2 LYS 46 1HD LYS 46 28.225 8.064 -14.857 363 HD3 LYS 46 2HD LYS 46 26.948 9.110 -14.221 364 HE2 LYS 46 1HE LYS 46 28.642 10.459 -15.342 365 HE3 LYS 46 2HE LYS 46 28.651 10.806 -13.610 366 HZ1 LYS 46 1HZ LYS 46 30.861 10.548 -14.469 367 HZ2 LYS 46 2HZ LYS 46 30.541 9.346 -13.385 368 HZ3 LYS 46 3HZ LYS 46 30.534 9.021 -15.002 369 H PHE 47 H PHE 47 27.804 4.311 -14.469 370 HA PHE 47 HA PHE 47 30.621 4.482 -13.481 371 HB2 PHE 47 1HB PHE 47 29.571 2.229 -13.263 372 HB3 PHE 47 2HB PHE 47 29.266 2.211 -14.993 373 HD1 PHE 47 HD1 PHE 47 30.926 1.541 -16.516 374 HD2 PHE 47 HD2 PHE 47 31.964 2.321 -12.446 375 HE1 PHE 47 HE1 PHE 47 33.163 0.561 -16.901 376 HE2 PHE 47 HE2 PHE 47 34.204 1.345 -12.828 377 HZ PHE 47 HZ PHE 47 34.802 0.464 -15.056 378 H GLY 48 H GLY 48 32.277 4.841 -14.914 379 HA2 GLY 48 1HA GLY 48 33.190 6.008 -16.699 380 HA3 GLY 48 2HA GLY 48 31.972 5.269 -17.720 381 H ASN 49 H ASN 49 30.975 6.815 -18.848 382 HA ASN 49 HA ASN 49 30.269 9.354 -17.448 383 HB2 ASN 49 1HB ASN 49 30.571 8.689 -20.392 384 HB3 ASN 49 2HB ASN 49 29.892 10.202 -19.806 385 HD21 ASN 49 1HD2 ASN 49 33.692 10.187 -20.409 386 HD22 ASN 49 2HD2 ASN 49 32.433 9.368 -21.273 387 H ASP 50 H ASP 50 28.925 6.473 -17.904 388 HA ASP 50 HA ASP 50 26.280 7.572 -18.757 389 HB2 ASP 50 1HB ASP 50 27.416 4.764 -19.065 390 HB3 ASP 50 2HB ASP 50 25.758 5.209 -19.443 391 H VAL 51 H VAL 51 24.376 6.394 -17.867 392 HA VAL 51 HA VAL 51 24.967 5.170 -15.204 393 HB VAL 51 HB VAL 51 22.439 6.601 -16.128 394 HG11 VAL 51 1HG1 VAL 51 21.666 6.306 -13.825 395 HG12 VAL 51 2HG1 VAL 51 21.920 4.749 -14.647 396 HG13 VAL 51 3HG1 VAL 51 23.114 5.337 -13.465 397 HG21 VAL 51 1HG2 VAL 51 23.070 8.267 -14.410 398 HG22 VAL 51 2HG2 VAL 51 24.561 7.355 -14.077 399 HG23 VAL 51 3HG2 VAL 51 24.326 8.126 -15.664 400 H GLN 52 H GLN 52 24.563 3.082 -15.017 401 HA GLN 52 HA GLN 52 22.804 1.794 -17.044 402 HB2 GLN 52 1HB GLN 52 24.890 0.658 -15.143 403 HB3 GLN 52 2HB GLN 52 23.824 -0.343 -16.119 404 HG2 GLN 52 1HG GLN 52 24.736 0.746 -18.163 405 HG3 GLN 52 2HG GLN 52 25.893 1.619 -17.120 406 HE21 GLN 52 1HE2 GLN 52 26.367 -2.424 -16.754 407 HE22 GLN 52 2HE2 GLN 52 24.876 -1.643 -16.345 408 H HIS 53 H HIS 53 21.188 0.324 -16.451 409 HA HIS 53 HA HIS 53 20.043 0.947 -13.757 410 HB2 HIS 53 1HB HIS 53 18.617 1.730 -15.550 411 HB3 HIS 53 2HB HIS 53 18.715 0.183 -16.379 412 HD2 HIS 53 HD2 HIS 53 15.923 1.798 -14.648 413 HE1 HIS 53 HE1 HIS 53 15.928 -2.131 -13.033 414 H PHE 54 H PHE 54 20.232 -0.585 -12.304 415 HA PHE 54 HA PHE 54 19.992 -3.415 -13.215 416 HB2 PHE 54 1HB PHE 54 20.866 -2.400 -10.485 417 HB3 PHE 54 2HB PHE 54 20.963 -4.049 -11.082 418 HD1 PHE 54 HD1 PHE 54 21.893 -3.092 -13.940 419 HD2 PHE 54 HD2 PHE 54 23.219 -2.320 -9.953 420 HE1 PHE 54 HE1 PHE 54 24.174 -2.652 -14.786 421 HE2 PHE 54 HE2 PHE 54 25.501 -1.878 -10.795 422 HZ PHE 54 HZ PHE 54 25.978 -2.046 -13.213 423 H LYS 55 H LYS 55 18.507 -4.810 -12.297 424 HA LYS 55 HA LYS 55 16.151 -3.453 -11.122 425 HB2 LYS 55 1HB LYS 55 16.362 -6.368 -11.939 426 HB3 LYS 55 2HB LYS 55 14.905 -5.409 -11.716 427 HG2 LYS 55 1HG LYS 55 15.432 -4.081 -13.700 428 HG3 LYS 55 2HG LYS 55 16.953 -4.960 -13.906 429 HD2 LYS 55 1HD LYS 55 15.694 -7.074 -14.193 430 HD3 LYS 55 2HD LYS 55 14.173 -6.190 -13.994 431 HE2 LYS 55 1HE LYS 55 14.693 -4.833 -15.991 432 HE3 LYS 55 2HE LYS 55 16.221 -5.695 -16.186 433 HZ1 LYS 55 1HZ LYS 55 14.520 -6.582 -17.604 434 HZ2 LYS 55 2HZ LYS 55 14.972 -7.720 -16.499 435 HZ3 LYS 55 3HZ LYS 55 13.545 -6.915 -16.317 436 H VAL 56 H VAL 56 15.841 -3.381 -9.034 437 HA VAL 56 HA VAL 56 17.162 -5.446 -7.337 438 HB VAL 56 HB VAL 56 16.064 -2.692 -6.624 439 HG11 VAL 56 1HG1 VAL 56 17.061 -3.068 -4.421 440 HG12 VAL 56 2HG1 VAL 56 15.775 -4.246 -4.780 441 HG13 VAL 56 3HG1 VAL 56 17.484 -4.730 -4.897 442 HG21 VAL 56 1HG2 VAL 56 18.448 -2.140 -6.257 443 HG22 VAL 56 2HG2 VAL 56 18.907 -3.774 -6.795 444 HG23 VAL 56 3HG2 VAL 56 18.155 -2.637 -7.940 445 H LEU 57 H LEU 57 15.868 -7.083 -6.717 446 HA LEU 57 HA LEU 57 12.946 -6.570 -7.071 447 HB2 LEU 57 1HB LEU 57 14.432 -9.175 -7.534 448 HB3 LEU 57 2HB LEU 57 12.756 -8.811 -7.952 449 HG LEU 57 HG LEU 57 15.174 -7.481 -9.224 450 HD11 LEU 57 1HD1 LEU 57 14.668 -8.909 -11.155 451 HD12 LEU 57 2HD1 LEU 57 15.102 -9.870 -9.723 452 HD13 LEU 57 3HD1 LEU 57 13.399 -9.728 -10.217 453 HD21 LEU 57 1HD2 LEU 57 13.498 -6.706 -10.867 454 HD22 LEU 57 2HD2 LEU 57 12.210 -7.494 -9.924 455 HD23 LEU 57 3HD2 LEU 57 13.108 -6.124 -9.231 456 H ARG 58 H ARG 58 11.462 -7.540 -5.723 457 HA ARG 58 HA ARG 58 12.382 -8.230 -3.062 458 HB2 ARG 58 1HB ARG 58 9.659 -8.347 -4.392 459 HB3 ARG 58 2HB ARG 58 9.930 -8.794 -2.714 460 HG2 ARG 58 1HG ARG 58 10.510 -6.576 -2.106 461 HG3 ARG 58 2HG ARG 58 10.662 -6.072 -3.806 462 HD2 ARG 58 1HD ARG 58 8.106 -7.043 -2.558 463 HD3 ARG 58 2HD ARG 58 8.586 -5.333 -2.663 464 HE ARG 58 HE ARG 58 8.802 -6.351 -5.241 465 HH11 ARG 58 1HH1 ARG 58 6.269 -5.955 -2.839 466 HH12 ARG 58 2HH1 ARG 58 4.998 -5.778 -4.027 467 HH21 ARG 58 1HH2 ARG 58 7.143 -6.119 -6.773 468 HH22 ARG 58 2HH2 ARG 58 5.490 -5.870 -6.253 469 H ASP 59 H ASP 59 12.759 -10.164 -2.170 470 HA ASP 59 HA ASP 59 12.158 -12.595 -3.763 471 HB2 ASP 59 1HB ASP 59 13.564 -13.781 -2.182 472 HB3 ASP 59 2HB ASP 59 14.418 -12.344 -2.727 473 H GLY 60 H GLY 60 11.788 -14.484 -1.856 474 HA2 GLY 60 1HA GLY 60 8.940 -14.064 -1.402 475 HA3 GLY 60 2HA GLY 60 9.845 -15.533 -1.084 476 H ALA 61 H ALA 61 11.639 -13.186 0.339 477 HA ALA 61 HA ALA 61 10.461 -13.766 2.986 478 HB1 ALA 61 1HB ALA 61 12.571 -12.822 3.871 479 HB2 ALA 61 2HB ALA 61 12.873 -14.125 2.698 480 HB3 ALA 61 3HB ALA 61 13.080 -12.427 2.212 481 H GLY 62 H GLY 62 10.191 -11.395 0.644 482 HA2 GLY 62 1HA GLY 62 9.273 -9.222 0.805 483 HA3 GLY 62 2HA GLY 62 9.386 -9.302 2.553 484 H LYS 63 H LYS 63 12.251 -10.355 1.061 485 HA LYS 63 HA LYS 63 13.557 -7.778 1.764 486 HB2 LYS 63 1HB LYS 63 14.565 -10.622 1.488 487 HB3 LYS 63 2HB LYS 63 15.676 -9.260 1.499 488 HG2 LYS 63 1HG LYS 63 14.712 -8.580 3.723 489 HG3 LYS 63 2HG LYS 63 13.780 -10.084 3.712 490 HD2 LYS 63 1HD LYS 63 16.781 -10.094 3.324 491 HD3 LYS 63 2HD LYS 63 16.061 -10.067 4.940 492 HE2 LYS 63 1HE LYS 63 14.767 -12.125 4.356 493 HE3 LYS 63 2HE LYS 63 15.590 -12.170 2.794 494 HZ1 LYS 63 1HZ LYS 63 16.642 -13.600 4.388 495 HZ2 LYS 63 2HZ LYS 63 17.674 -12.384 3.965 496 HZ3 LYS 63 3HZ LYS 63 16.905 -12.344 5.424 497 H TYR 64 H TYR 64 15.391 -7.069 0.428 498 HA TYR 64 HA TYR 64 14.604 -7.299 -2.436 499 HB2 TYR 64 1HB TYR 64 16.148 -5.166 -0.911 500 HB3 TYR 64 2HB TYR 64 16.000 -5.183 -2.663 501 HD1 TYR 64 HD1 TYR 64 14.234 -4.678 0.515 502 HD2 TYR 64 HD2 TYR 64 13.901 -4.668 -3.762 503 HE1 TYR 64 HE1 TYR 64 12.085 -3.468 0.684 504 HE2 TYR 64 HE2 TYR 64 11.753 -3.458 -3.593 505 HH TYR 64 HH TYR 64 10.139 -2.761 -2.198 506 H PHE 65 H PHE 65 15.986 -7.884 -4.017 507 HA PHE 65 HA PHE 65 18.860 -8.149 -3.333 508 HB2 PHE 65 1HB PHE 65 19.048 -10.372 -4.219 509 HB3 PHE 65 2HB PHE 65 17.757 -10.400 -3.027 510 HD1 PHE 65 HD1 PHE 65 18.615 -10.762 -6.543 511 HD2 PHE 65 HD2 PHE 65 15.402 -10.558 -3.734 512 HE1 PHE 65 HE1 PHE 65 17.081 -11.722 -8.230 513 HE2 PHE 65 HE2 PHE 65 13.867 -11.520 -5.416 514 HZ PHE 65 HZ PHE 65 14.708 -12.100 -7.665 515 H LEU 66 H LEU 66 20.179 -8.612 -5.334 516 HA LEU 66 HA LEU 66 18.924 -7.434 -7.761 517 HB2 LEU 66 1HB LEU 66 20.194 -5.708 -6.344 518 HB3 LEU 66 2HB LEU 66 21.662 -6.590 -6.773 519 HG LEU 66 HG LEU 66 19.774 -5.276 -8.759 520 HD11 LEU 66 1HD1 LEU 66 21.576 -3.629 -9.012 521 HD12 LEU 66 2HD1 LEU 66 20.929 -3.645 -7.356 522 HD13 LEU 66 3HD1 LEU 66 22.489 -4.426 -7.710 523 HD21 LEU 66 1HD2 LEU 66 21.597 -5.746 -10.360 524 HD22 LEU 66 2HD2 LEU 66 22.512 -6.574 -9.077 525 HD23 LEU 66 3HD2 LEU 66 20.967 -7.250 -9.647 526 H TRP 67 H TRP 67 22.076 -8.655 -6.556 527 HA TRP 67 HA TRP 67 22.499 -9.966 -9.172 528 HB2 TRP 67 1HB TRP 67 24.363 -9.832 -6.771 529 HB3 TRP 67 2HB TRP 67 24.783 -10.333 -8.403 530 HD1 TRP 67 HD1 TRP 67 24.706 -7.331 -6.207 531 HE1 TRP 67 HE1 TRP 67 25.250 -5.192 -7.554 532 HE3 TRP 67 HE3 TRP 67 24.283 -9.254 -10.944 533 HZ2 TRP 67 HZ2 TRP 67 25.469 -4.447 -10.270 534 HZ3 TRP 67 HZ3 TRP 67 24.670 -7.774 -12.873 535 HH2 TRP 67 HH2 TRP 67 25.258 -5.408 -12.548 536 H VAL 68 H VAL 68 23.529 -12.200 -9.109 537 HA VAL 68 HA VAL 68 22.110 -14.119 -7.546 538 HB VAL 68 HB VAL 68 23.885 -15.692 -8.244 539 HG11 VAL 68 1HG1 VAL 68 23.630 -15.448 -10.665 540 HG12 VAL 68 2HG1 VAL 68 22.098 -15.171 -9.802 541 HG13 VAL 68 3HG1 VAL 68 23.026 -13.790 -10.433 542 HG21 VAL 68 1HG2 VAL 68 25.788 -14.863 -9.591 543 HG22 VAL 68 2HG2 VAL 68 25.249 -13.188 -9.318 544 HG23 VAL 68 3HG2 VAL 68 25.814 -14.176 -7.950 545 H VAL 69 H VAL 69 24.975 -12.176 -6.899 546 HA VAL 69 HA VAL 69 25.537 -13.413 -4.343 547 HB VAL 69 HB VAL 69 26.120 -10.636 -5.450 548 HG11 VAL 69 1HG1 VAL 69 27.664 -10.366 -3.571 549 HG12 VAL 69 2HG1 VAL 69 25.975 -10.517 -3.030 550 HG13 VAL 69 3HG1 VAL 69 27.087 -11.899 -2.877 551 HG21 VAL 69 1HG2 VAL 69 28.421 -11.529 -5.627 552 HG22 VAL 69 2HG2 VAL 69 27.860 -13.097 -5.000 553 HG23 VAL 69 3HG2 VAL 69 27.276 -12.508 -6.576 554 H LYS 70 H LYS 70 24.624 -13.127 -2.403 555 HA LYS 70 HA LYS 70 22.488 -11.063 -2.164 556 HB2 LYS 70 1HB LYS 70 21.370 -13.142 -2.835 557 HB3 LYS 70 2HB LYS 70 22.185 -14.031 -1.554 558 HG2 LYS 70 1HG LYS 70 19.946 -13.610 -0.847 559 HG3 LYS 70 2HG LYS 70 21.009 -12.581 0.122 560 HD2 LYS 70 1HD LYS 70 20.451 -10.634 -1.172 561 HD3 LYS 70 2HD LYS 70 19.624 -11.607 -2.396 562 HE2 LYS 70 1HE LYS 70 18.743 -11.396 0.505 563 HE3 LYS 70 2HE LYS 70 18.074 -10.430 -0.813 564 HZ1 LYS 70 1HZ LYS 70 16.732 -12.349 -0.356 565 HZ2 LYS 70 2HZ LYS 70 17.373 -12.468 -1.872 566 HZ3 LYS 70 3HZ LYS 70 17.997 -13.369 -0.639 567 H PHE 71 H PHE 71 22.547 -9.971 -0.330 568 HA PHE 71 HA PHE 71 23.669 -11.371 2.063 569 HB2 PHE 71 1HB PHE 71 23.902 -8.450 1.257 570 HB3 PHE 71 2HB PHE 71 24.208 -9.011 2.893 571 HD1 PHE 71 HD1 PHE 71 25.321 -9.318 -0.627 572 HD2 PHE 71 HD2 PHE 71 26.254 -10.035 3.480 573 HE1 PHE 71 HE1 PHE 71 27.650 -9.864 -1.253 574 HE2 PHE 71 HE2 PHE 71 28.584 -10.578 2.858 575 HZ PHE 71 HZ PHE 71 29.281 -10.494 0.490 576 H ASN 72 H ASN 72 22.957 -9.581 4.004 577 HA ASN 72 HA ASN 72 20.266 -10.535 4.404 578 HB2 ASN 72 1HB ASN 72 22.069 -8.695 6.000 579 HB3 ASN 72 2HB ASN 72 20.441 -9.109 6.520 580 HD21 ASN 72 1HD2 ASN 72 22.969 -11.419 8.027 581 HD22 ASN 72 2HD2 ASN 72 22.818 -9.697 7.931 582 H SER 73 H SER 73 21.571 -7.662 3.042 583 HA SER 73 HA SER 73 18.851 -6.634 2.620 584 HB2 SER 73 1HB SER 73 19.241 -4.468 3.593 585 HB3 SER 73 2HB SER 73 19.543 -5.685 4.823 586 HG SER 73 HG SER 73 21.504 -5.108 4.912 587 H LEU 74 H LEU 74 18.742 -4.955 1.029 588 HA LEU 74 HA LEU 74 20.514 -5.005 -1.128 589 HB2 LEU 74 1HB LEU 74 18.313 -3.938 -1.218 590 HB3 LEU 74 2HB LEU 74 18.845 -2.685 -0.093 591 HG LEU 74 HG LEU 74 20.480 -1.888 -1.800 592 HD11 LEU 74 1HD1 LEU 74 20.289 -2.731 -4.096 593 HD12 LEU 74 2HD1 LEU 74 20.808 -4.005 -2.970 594 HD13 LEU 74 3HD1 LEU 74 19.126 -3.961 -3.548 595 HD21 LEU 74 1HD2 LEU 74 18.772 -0.900 -3.289 596 HD22 LEU 74 2HD2 LEU 74 17.586 -2.105 -2.731 597 HD23 LEU 74 3HD2 LEU 74 18.225 -0.892 -1.595 598 H ASN 75 H ASN 75 20.636 -2.998 1.802 599 HA ASN 75 HA ASN 75 22.667 -1.220 0.890 600 HB2 ASN 75 1HB ASN 75 21.801 -2.082 3.662 601 HB3 ASN 75 2HB ASN 75 23.062 -0.885 3.396 602 HD21 ASN 75 1HD2 ASN 75 19.771 0.794 3.848 603 HD22 ASN 75 2HD2 ASN 75 20.694 -0.351 4.763 604 H GLU 76 H GLU 76 22.845 -4.365 2.502 605 HA GLU 76 HA GLU 76 25.656 -4.211 3.076 606 HB2 GLU 76 1HB GLU 76 23.682 -6.507 2.883 607 HB3 GLU 76 2HB GLU 76 25.386 -6.784 3.213 608 HG2 GLU 76 1HG GLU 76 25.182 -5.258 5.194 609 HG3 GLU 76 2HG GLU 76 23.447 -5.186 4.893 610 H LEU 77 H LEU 77 23.791 -5.523 0.342 611 HA LEU 77 HA LEU 77 26.088 -6.985 -0.674 612 HB2 LEU 77 1HB LEU 77 24.634 -7.786 -2.354 613 HB3 LEU 77 2HB LEU 77 23.634 -7.642 -0.906 614 HG LEU 77 HG LEU 77 23.096 -5.245 -2.004 615 HD11 LEU 77 1HD1 LEU 77 22.920 -5.482 -4.441 616 HD12 LEU 77 2HD1 LEU 77 24.611 -5.576 -3.891 617 HD13 LEU 77 3HD1 LEU 77 23.737 -7.059 -4.347 618 HD21 LEU 77 1HD2 LEU 77 21.080 -6.316 -2.951 619 HD22 LEU 77 2HD2 LEU 77 21.871 -7.906 -2.836 620 HD23 LEU 77 3HD2 LEU 77 21.478 -6.999 -1.356 621 H VAL 78 H VAL 78 24.554 -3.888 -1.319 622 HA VAL 78 HA VAL 78 26.090 -3.357 -3.727 623 HB VAL 78 HB VAL 78 25.240 -1.064 -3.498 624 HG11 VAL 78 1HG1 VAL 78 22.840 -1.536 -3.545 625 HG12 VAL 78 2HG1 VAL 78 23.774 -2.736 -4.470 626 HG13 VAL 78 3HG1 VAL 78 23.144 -3.148 -2.857 627 HG21 VAL 78 1HG2 VAL 78 23.841 -0.446 -1.554 628 HG22 VAL 78 2HG2 VAL 78 24.183 -2.025 -0.808 629 HG23 VAL 78 3HG2 VAL 78 25.498 -0.850 -1.050 630 H ASP 79 H ASP 79 26.545 -2.889 -0.270 631 HA ASP 79 HA ASP 79 28.964 -1.321 -0.533 632 HB2 ASP 79 1HB ASP 79 27.588 -1.484 1.567 633 HB3 ASP 79 2HB ASP 79 28.113 -3.153 1.745 634 H TYR 80 H TYR 80 28.298 -4.808 -0.073 635 HA TYR 80 HA TYR 80 30.925 -5.778 -0.326 636 HB2 TYR 80 1HB TYR 80 29.055 -7.261 0.167 637 HB3 TYR 80 2HB TYR 80 28.312 -6.918 -1.389 638 HD1 TYR 80 HD1 TYR 80 31.383 -8.372 0.156 639 HD2 TYR 80 HD2 TYR 80 28.775 -8.242 -3.249 640 HE1 TYR 80 HE1 TYR 80 32.590 -10.284 -0.843 641 HE2 TYR 80 HE2 TYR 80 29.981 -10.155 -4.246 642 HH TYR 80 HH TYR 80 31.635 -11.610 -4.013 643 H HIS 81 H HIS 81 28.608 -4.933 -2.908 644 HA HIS 81 HA HIS 81 30.743 -5.245 -4.937 645 HB2 HIS 81 1HB HIS 81 27.802 -4.510 -5.150 646 HB3 HIS 81 2HB HIS 81 28.900 -4.569 -6.521 647 HD2 HIS 81 HD2 HIS 81 26.463 -6.978 -4.769 648 HE1 HIS 81 HE1 HIS 81 29.380 -9.357 -6.739 649 H ARG 82 H ARG 82 30.441 -3.024 -2.721 650 HA ARG 82 HA ARG 82 31.048 -0.771 -4.536 651 HB2 ARG 82 1HB ARG 82 29.882 -0.277 -2.439 652 HB3 ARG 82 2HB ARG 82 31.177 -1.017 -1.512 653 HG2 ARG 82 1HG ARG 82 32.723 0.723 -2.168 654 HG3 ARG 82 2HG ARG 82 31.511 1.430 -3.264 655 HD2 ARG 82 1HD ARG 82 31.606 2.681 -1.227 656 HD3 ARG 82 2HD ARG 82 30.051 1.823 -1.332 657 HE ARG 82 HE ARG 82 30.635 0.539 0.490 658 HH11 ARG 82 1HH1 ARG 82 33.430 2.351 -0.626 659 HH12 ARG 82 2HH1 ARG 82 34.394 1.973 0.783 660 HH21 ARG 82 1HH2 ARG 82 31.897 0.055 2.314 661 HH22 ARG 82 2HH2 ARG 82 33.527 0.674 2.449 662 H SER 83 H SER 83 32.704 -2.822 -2.120 663 HA SER 83 HA SER 83 35.314 -1.722 -2.827 664 HB2 SER 83 1HB SER 83 36.188 -3.268 -1.202 665 HB3 SER 83 2HB SER 83 34.736 -2.535 -0.539 666 HG SER 83 HG SER 83 34.108 -4.696 -1.960 667 H THR 84 H THR 84 33.265 -4.224 -3.995 668 HA THR 84 HA THR 84 35.491 -5.133 -5.759 669 HB THR 84 HB THR 84 33.384 -6.933 -4.486 670 HG1 THR 84 HG1 THR 84 35.978 -6.238 -3.834 671 HG21 THR 84 1HG2 THR 84 34.596 -8.752 -5.624 672 HG22 THR 84 2HG2 THR 84 33.940 -7.591 -6.802 673 HG23 THR 84 3HG2 THR 84 35.670 -7.562 -6.393 674 H SER 85 H SER 85 34.967 -5.636 -7.860 675 HA SER 85 HA SER 85 32.874 -4.178 -9.060 676 HB2 SER 85 1HB SER 85 33.422 -5.342 -11.087 677 HB3 SER 85 2HB SER 85 34.917 -5.061 -10.206 678 HG SER 85 HG SER 85 33.815 -7.337 -10.985 679 H VAL 86 H VAL 86 31.012 -4.926 -10.253 680 HA VAL 86 HA VAL 86 29.345 -6.637 -8.626 681 HB VAL 86 HB VAL 86 27.635 -6.238 -10.370 682 HG11 VAL 86 1HG1 VAL 86 27.518 -3.801 -10.181 683 HG12 VAL 86 2HG1 VAL 86 27.962 -4.569 -8.638 684 HG13 VAL 86 3HG1 VAL 86 29.208 -3.765 -9.624 685 HG21 VAL 86 1HG2 VAL 86 28.202 -4.838 -12.329 686 HG22 VAL 86 2HG2 VAL 86 29.912 -4.840 -11.834 687 HG23 VAL 86 3HG2 VAL 86 29.127 -6.357 -12.336 688 H SER 87 H SER 87 31.422 -7.128 -11.366 689 HA SER 87 HA SER 87 30.910 -9.983 -11.396 690 HB2 SER 87 1HB SER 87 28.932 -9.152 -12.644 691 HB3 SER 87 2HB SER 87 29.997 -8.342 -13.782 692 HG SER 87 HG SER 87 29.297 -10.938 -13.576 693 H ARG 88 H ARG 88 31.936 -10.868 -13.627 694 HA ARG 88 HA ARG 88 34.514 -9.418 -13.982 695 HB2 ARG 88 1HB ARG 88 33.708 -12.258 -14.697 696 HB3 ARG 88 2HB ARG 88 35.270 -11.543 -15.069 697 HG2 ARG 88 1HG ARG 88 35.706 -11.248 -12.659 698 HG3 ARG 88 2HG ARG 88 34.138 -12.009 -12.299 699 HD2 ARG 88 1HD ARG 88 34.864 -14.035 -13.423 700 HD3 ARG 88 2HD ARG 88 36.431 -13.275 -13.780 701 HE ARG 88 HE ARG 88 35.958 -13.115 -11.000 702 HH11 ARG 88 1HH1 ARG 88 36.629 -15.504 -13.487 703 HH12 ARG 88 2HH1 ARG 88 37.433 -16.605 -12.390 704 HH21 ARG 88 1HH2 ARG 88 37.003 -14.553 -9.585 705 HH22 ARG 88 2HH2 ARG 88 37.645 -16.068 -10.181 706 H ASN 89 H ASN 89 31.497 -9.822 -15.413 707 HA ASN 89 HA ASN 89 32.583 -9.431 -18.158 708 HB2 ASN 89 1HB ASN 89 29.814 -10.182 -17.170 709 HB3 ASN 89 2HB ASN 89 30.195 -9.837 -18.852 710 HD21 ASN 89 1HD2 ASN 89 30.462 -13.523 -17.807 711 HD22 ASN 89 2HD2 ASN 89 29.347 -12.302 -17.295 712 H GLN 90 H GLN 90 31.909 -7.553 -15.636 713 HA GLN 90 HA GLN 90 31.601 -5.187 -17.222 714 HB2 GLN 90 1HB GLN 90 29.333 -4.523 -16.263 715 HB3 GLN 90 2HB GLN 90 29.306 -5.737 -17.535 716 HG2 GLN 90 1HG GLN 90 28.832 -7.481 -16.027 717 HG3 GLN 90 2HG GLN 90 29.276 -6.484 -14.613 718 HE21 GLN 90 1HE2 GLN 90 25.479 -6.741 -15.608 719 HE22 GLN 90 2HE2 GLN 90 26.725 -7.895 -15.950 720 H GLN 91 H GLN 91 32.909 -3.899 -16.136 721 HA GLN 91 HA GLN 91 33.375 -4.478 -13.294 722 HB2 GLN 91 1HB GLN 91 34.757 -2.601 -15.252 723 HB3 GLN 91 2HB GLN 91 35.250 -2.812 -13.578 724 HG2 GLN 91 1HG GLN 91 35.111 -5.087 -15.562 725 HG3 GLN 91 2HG GLN 91 36.572 -4.104 -15.265 726 HE21 GLN 91 1HE2 GLN 91 35.780 -7.260 -12.961 727 HE22 GLN 91 2HE2 GLN 91 35.044 -6.941 -14.496 728 H ILE 92 H ILE 92 30.974 -3.623 -13.123 729 HA ILE 92 HA ILE 92 30.895 -0.716 -12.714 730 HB ILE 92 HB ILE 92 28.826 -2.774 -11.850 731 HG12 ILE 92 1HG1 ILE 92 29.515 -2.903 -14.306 732 HG13 ILE 92 2HG1 ILE 92 27.808 -2.707 -13.940 733 HG21 ILE 92 1HG2 ILE 92 27.289 -0.863 -12.064 734 HG22 ILE 92 2HG2 ILE 92 28.584 -0.514 -10.895 735 HG23 ILE 92 3HG2 ILE 92 28.650 0.184 -12.530 736 HD11 ILE 92 1HD1 ILE 92 28.475 -1.288 -15.799 737 HD12 ILE 92 2HD1 ILE 92 27.971 -0.300 -14.406 738 HD13 ILE 92 3HD1 ILE 92 29.700 -0.498 -14.778 739 H PHE 93 H PHE 93 31.036 0.372 -10.824 740 HA PHE 93 HA PHE 93 31.102 -1.273 -8.327 741 HB2 PHE 93 1HB PHE 93 32.485 1.396 -8.802 742 HB3 PHE 93 2HB PHE 93 32.529 0.456 -7.320 743 HD1 PHE 93 HD1 PHE 93 33.665 0.612 -10.819 744 HD2 PHE 93 HD2 PHE 93 33.952 -1.459 -7.093 745 HE1 PHE 93 HE1 PHE 93 35.666 -0.585 -11.639 746 HE2 PHE 93 HE2 PHE 93 35.954 -2.656 -7.910 747 HZ PHE 93 HZ PHE 93 36.810 -2.221 -10.186 748 H LEU 94 H LEU 94 29.837 -0.674 -6.644 749 HA LEU 94 HA LEU 94 27.991 1.614 -7.154 750 HB2 LEU 94 1HB LEU 94 27.631 -0.693 -5.214 751 HB3 LEU 94 2HB LEU 94 26.430 0.525 -5.654 752 HG LEU 94 HG LEU 94 27.499 -1.723 -7.388 753 HD11 LEU 94 1HD1 LEU 94 25.139 -2.399 -7.399 754 HD12 LEU 94 2HD1 LEU 94 25.797 -2.339 -5.748 755 HD13 LEU 94 3HD1 LEU 94 24.741 -1.032 -6.334 756 HD21 LEU 94 1HD2 LEU 94 26.012 -0.819 -9.144 757 HD22 LEU 94 2HD2 LEU 94 25.627 0.572 -8.102 758 HD23 LEU 94 3HD2 LEU 94 27.283 0.352 -8.715 759 H ARG 95 H ARG 95 28.980 3.365 -6.296 760 HA ARG 95 HA ARG 95 30.178 3.045 -3.577 761 HB2 ARG 95 1HB ARG 95 30.900 4.903 -5.864 762 HB3 ARG 95 2HB ARG 95 31.536 5.083 -4.236 763 HG2 ARG 95 1HG ARG 95 32.692 2.991 -4.363 764 HG3 ARG 95 2HG ARG 95 31.881 2.573 -5.891 765 HD2 ARG 95 1HD ARG 95 32.963 4.454 -6.978 766 HD3 ARG 95 2HD ARG 95 33.776 4.868 -5.452 767 HE ARG 95 HE ARG 95 34.561 2.327 -5.770 768 HH11 ARG 95 1HH1 ARG 95 34.434 4.990 -8.057 769 HH12 ARG 95 2HH1 ARG 95 35.792 4.411 -8.998 770 HH21 ARG 95 1HH2 ARG 95 36.322 1.586 -6.998 771 HH22 ARG 95 2HH2 ARG 95 36.861 2.485 -8.399 772 H ASP 96 H ASP 96 29.928 4.697 -2.049 773 HA ASP 96 HA ASP 96 27.447 6.277 -2.452 774 HB2 ASP 96 1HB ASP 96 29.034 5.536 0.034 775 HB3 ASP 96 2HB ASP 96 27.681 6.659 0.058 Start of MODEL 18 1 H1 MET 1 1H MET 1 -2.089 4.076 -1.248 2 H2 MET 1 2H MET 1 -1.571 5.583 -1.604 3 H3 MET 1 3H MET 1 -0.996 4.304 -2.438 4 HA MET 1 HA MET 1 -0.565 4.858 0.387 5 HB2 MET 1 1HB MET 1 0.488 2.610 -1.374 6 HB3 MET 1 2HB MET 1 0.982 2.913 0.285 7 HG2 MET 1 1HG MET 1 -1.813 2.162 -0.621 8 HG3 MET 1 2HG MET 1 -0.636 1.085 0.135 9 HE1 MET 1 1HE MET 1 -0.388 2.431 3.770 10 HE2 MET 1 2HE MET 1 0.038 1.120 2.643 11 HE3 MET 1 3HE MET 1 0.700 2.755 2.398 12 H LYS 2 H LYS 2 1.347 5.768 0.949 13 HA LYS 2 HA LYS 2 2.698 7.296 -1.120 14 HB2 LYS 2 1HB LYS 2 3.264 6.924 1.847 15 HB3 LYS 2 2HB LYS 2 4.183 8.000 0.805 16 HG2 LYS 2 1HG LYS 2 2.117 9.283 0.321 17 HG3 LYS 2 2HG LYS 2 1.221 8.215 1.410 18 HD2 LYS 2 1HD LYS 2 2.695 8.888 3.283 19 HD3 LYS 2 2HD LYS 2 3.590 9.957 2.192 20 HE2 LYS 2 1HE LYS 2 1.536 11.259 1.771 21 HE3 LYS 2 2HE LYS 2 0.627 10.187 2.838 22 HZ1 LYS 2 1HZ LYS 2 1.300 12.181 3.959 23 HZ2 LYS 2 2HZ LYS 2 2.043 10.879 4.647 24 HZ3 LYS 2 3HZ LYS 2 2.893 11.883 3.650 25 HA PRO 3 HA PRO 3 5.854 4.438 -2.049 26 HB2 PRO 3 1HB PRO 3 7.686 6.089 -3.224 27 HB3 PRO 3 2HB PRO 3 6.136 5.725 -3.996 28 HG2 PRO 3 1HG PRO 3 6.912 8.152 -2.322 29 HG3 PRO 3 2HG PRO 3 6.102 8.121 -3.891 30 HD2 PRO 3 1HD PRO 3 4.698 8.365 -1.561 31 HD3 PRO 3 2HD PRO 3 4.031 7.469 -2.984 32 H HIS 4 H HIS 4 8.354 4.259 -1.771 33 HA HIS 4 HA HIS 4 9.002 4.592 1.012 34 HB2 HIS 4 1HB HIS 4 10.616 3.808 -1.426 35 HB3 HIS 4 2HB HIS 4 11.363 3.988 0.154 36 HD2 HIS 4 HD2 HIS 4 8.963 1.539 -1.726 37 HE1 HIS 4 HE1 HIS 4 9.892 -0.126 2.086 38 HA PRO 5 HA PRO 5 10.556 8.686 0.872 39 HB2 PRO 5 1HB PRO 5 11.567 8.827 3.406 40 HB3 PRO 5 2HB PRO 5 9.826 8.801 3.103 41 HG2 PRO 5 1HG PRO 5 11.665 6.501 3.880 42 HG3 PRO 5 2HG PRO 5 10.097 6.930 4.571 43 HD2 PRO 5 1HD PRO 5 10.353 4.987 2.657 44 HD3 PRO 5 2HD PRO 5 8.884 6.039 2.768 45 H TRP 6 H TRP 6 12.316 5.781 1.091 46 HA TRP 6 HA TRP 6 14.959 6.697 1.595 47 HB2 TRP 6 1HB TRP 6 13.962 4.357 -0.076 48 HB3 TRP 6 2HB TRP 6 15.647 4.613 0.351 49 HD1 TRP 6 HD1 TRP 6 12.626 2.880 1.551 50 HE1 TRP 6 HE1 TRP 6 12.917 2.053 3.984 51 HE3 TRP 6 HE3 TRP 6 16.824 5.551 2.793 52 HZ2 TRP 6 HZ2 TRP 6 14.706 2.489 6.125 53 HZ3 TRP 6 HZ3 TRP 6 17.774 5.302 5.052 54 HH2 TRP 6 HH2 TRP 6 16.738 3.794 6.696 55 H PHE 7 H PHE 7 16.586 7.459 0.339 56 HA PHE 7 HA PHE 7 17.423 8.840 -1.310 57 HB2 PHE 7 1HB PHE 7 16.313 6.446 -2.697 58 HB3 PHE 7 2HB PHE 7 16.660 7.829 -3.724 59 HD1 PHE 7 HD1 PHE 7 18.113 5.340 -1.433 60 HD2 PHE 7 HD2 PHE 7 18.911 8.535 -4.155 61 HE1 PHE 7 HE1 PHE 7 20.504 4.713 -1.465 62 HE2 PHE 7 HE2 PHE 7 21.303 7.910 -4.191 63 HZ PHE 7 HZ PHE 7 22.099 5.998 -2.844 64 H PHE 8 H PHE 8 14.983 8.095 -3.636 65 HA PHE 8 HA PHE 8 13.841 10.826 -3.239 66 HB2 PHE 8 1HB PHE 8 14.834 9.589 -5.836 67 HB3 PHE 8 2HB PHE 8 13.877 11.059 -5.750 68 HD1 PHE 8 HD1 PHE 8 17.116 9.538 -4.808 69 HD2 PHE 8 HD2 PHE 8 14.859 13.143 -5.205 70 HE1 PHE 8 HE1 PHE 8 19.182 10.862 -4.507 71 HE2 PHE 8 HE2 PHE 8 16.923 14.471 -4.907 72 HZ PHE 8 HZ PHE 8 19.085 13.330 -4.556 73 H GLY 9 H GLY 9 12.997 7.869 -2.850 74 HA2 GLY 9 1HA GLY 9 11.095 6.579 -3.165 75 HA3 GLY 9 2HA GLY 9 10.248 8.096 -3.398 76 H LYS 10 H LYS 10 9.036 7.939 -5.177 77 HA LYS 10 HA LYS 10 9.941 6.374 -7.489 78 HB2 LYS 10 1HB LYS 10 7.437 8.016 -6.952 79 HB3 LYS 10 2HB LYS 10 7.742 7.189 -8.474 80 HG2 LYS 10 1HG LYS 10 7.726 5.030 -7.375 81 HG3 LYS 10 2HG LYS 10 7.614 5.796 -5.784 82 HD2 LYS 10 1HD LYS 10 5.416 6.686 -6.299 83 HD3 LYS 10 2HD LYS 10 5.537 6.138 -7.977 84 HE2 LYS 10 1HE LYS 10 5.563 3.801 -7.248 85 HE3 LYS 10 2HE LYS 10 5.556 4.301 -5.554 86 HZ1 LYS 10 1HZ LYS 10 3.374 3.694 -6.303 87 HZ2 LYS 10 2HZ LYS 10 3.404 5.298 -5.916 88 HZ3 LYS 10 3HZ LYS 10 3.409 4.830 -7.498 89 H ILE 11 H ILE 11 11.861 8.146 -7.245 90 HA ILE 11 HA ILE 11 11.494 10.441 -8.952 91 HB ILE 11 HB ILE 11 13.466 9.958 -7.353 92 HG12 ILE 11 1HG1 ILE 11 14.014 10.899 -10.178 93 HG13 ILE 11 2HG1 ILE 11 13.365 11.877 -8.871 94 HG21 ILE 11 1HG2 ILE 11 15.375 8.789 -8.377 95 HG22 ILE 11 2HG2 ILE 11 13.981 7.700 -8.195 96 HG23 ILE 11 3HG2 ILE 11 14.373 8.383 -9.790 97 HD11 ILE 11 1HD1 ILE 11 15.740 12.295 -9.184 98 HD12 ILE 11 2HD1 ILE 11 15.438 11.562 -7.591 99 HD13 ILE 11 3HD1 ILE 11 16.096 10.573 -8.915 100 HA PRO 12 HA PRO 12 11.453 8.431 -12.897 101 HB2 PRO 12 1HB PRO 12 12.062 10.594 -14.452 102 HB3 PRO 12 2HB PRO 12 10.474 10.413 -13.694 103 HG2 PRO 12 1HG PRO 12 12.891 11.997 -12.698 104 HG3 PRO 12 2HG PRO 12 11.230 12.563 -12.899 105 HD2 PRO 12 1HD PRO 12 12.114 11.750 -10.476 106 HD3 PRO 12 2HD PRO 12 10.432 11.362 -11.019 107 H ARG 13 H ARG 13 13.023 7.512 -14.198 108 HA ARG 13 HA ARG 13 15.758 7.525 -13.516 109 HB2 ARG 13 1HB ARG 13 14.472 5.914 -15.053 110 HB3 ARG 13 2HB ARG 13 14.723 7.095 -16.330 111 HG2 ARG 13 1HG ARG 13 17.199 6.421 -14.920 112 HG3 ARG 13 2HG ARG 13 16.409 5.022 -15.684 113 HD2 ARG 13 1HD ARG 13 17.189 7.614 -16.997 114 HD3 ARG 13 2HD ARG 13 17.937 6.015 -17.223 115 HE ARG 13 HE ARG 13 15.212 5.765 -17.838 116 HH11 ARG 13 1HH1 ARG 13 18.045 7.453 -19.048 117 HH12 ARG 13 2HH1 ARG 13 17.483 7.468 -20.704 118 HH21 ARG 13 1HH2 ARG 13 14.493 5.790 -19.992 119 HH22 ARG 13 2HH2 ARG 13 15.474 6.527 -21.240 120 H ALA 14 H ALA 14 13.952 9.570 -15.794 121 HA ALA 14 HA ALA 14 15.879 11.072 -17.012 122 HB1 ALA 14 1HB ALA 14 14.396 13.036 -16.758 123 HB2 ALA 14 2HB ALA 14 13.481 11.568 -17.177 124 HB3 ALA 14 3HB ALA 14 13.479 12.170 -15.504 125 H LYS 15 H LYS 15 14.735 11.782 -13.681 126 HA LYS 15 HA LYS 15 16.634 13.953 -13.460 127 HB2 LYS 15 1HB LYS 15 14.310 13.642 -12.298 128 HB3 LYS 15 2HB LYS 15 15.197 12.692 -11.115 129 HG2 LYS 15 1HG LYS 15 15.035 14.890 -10.247 130 HG3 LYS 15 2HG LYS 15 16.711 14.690 -10.777 131 HD2 LYS 15 1HD LYS 15 16.127 15.836 -12.925 132 HD3 LYS 15 2HD LYS 15 14.495 16.113 -12.297 133 HE2 LYS 15 1HE LYS 15 15.348 17.488 -10.497 134 HE3 LYS 15 2HE LYS 15 17.017 17.075 -10.902 135 HZ1 LYS 15 1HZ LYS 15 16.410 19.222 -11.744 136 HZ2 LYS 15 2HZ LYS 15 16.725 18.201 -13.001 137 HZ3 LYS 15 3HZ LYS 15 15.167 18.588 -12.621 138 H ALA 16 H ALA 16 16.527 10.605 -12.332 139 HA ALA 16 HA ALA 16 18.585 10.852 -10.378 140 HB1 ALA 16 1HB ALA 16 18.719 8.386 -10.514 141 HB2 ALA 16 2HB ALA 16 17.033 8.952 -10.433 142 HB3 ALA 16 3HB ALA 16 17.720 8.421 -11.986 143 H GLU 17 H GLU 17 18.682 10.017 -13.830 144 HA GLU 17 HA GLU 17 21.538 9.549 -13.847 145 HB2 GLU 17 1HB GLU 17 19.566 10.144 -16.088 146 HB3 GLU 17 2HB GLU 17 21.253 9.728 -16.349 147 HG2 GLU 17 1HG GLU 17 20.791 7.577 -15.074 148 HG3 GLU 17 2HG GLU 17 19.082 7.996 -15.170 149 H GLU 18 H GLU 18 19.444 12.323 -14.591 150 HA GLU 18 HA GLU 18 21.444 14.096 -15.518 151 HB2 GLU 18 1HB GLU 18 18.991 14.542 -15.599 152 HB3 GLU 18 2HB GLU 18 18.977 14.748 -13.853 153 HG2 GLU 18 1HG GLU 18 20.544 16.660 -14.096 154 HG3 GLU 18 2HG GLU 18 20.464 16.472 -15.846 155 H MET 19 H MET 19 20.308 13.453 -12.196 156 HA MET 19 HA MET 19 22.048 15.330 -10.929 157 HB2 MET 19 1HB MET 19 20.576 12.858 -10.010 158 HB3 MET 19 2HB MET 19 21.699 13.668 -8.928 159 HG2 MET 19 1HG MET 19 20.385 15.787 -9.266 160 HG3 MET 19 2HG MET 19 19.206 14.846 -10.183 161 HE1 MET 19 1HE MET 19 17.412 12.691 -7.611 162 HE2 MET 19 2HE MET 19 17.324 13.516 -9.188 163 HE3 MET 19 3HE MET 19 18.557 12.263 -8.905 164 H LEU 20 H LEU 20 22.452 11.908 -11.781 165 HA LEU 20 HA LEU 20 24.991 11.573 -10.514 166 HB2 LEU 20 1HB LEU 20 23.661 10.180 -12.854 167 HB3 LEU 20 2HB LEU 20 25.238 9.691 -12.226 168 HG LEU 20 HG LEU 20 22.658 9.707 -10.619 169 HD11 LEU 20 1HD1 LEU 20 22.775 7.266 -10.845 170 HD12 LEU 20 2HD1 LEU 20 22.600 8.065 -12.426 171 HD13 LEU 20 3HD1 LEU 20 24.185 7.433 -11.919 172 HD21 LEU 20 1HD2 LEU 20 24.012 8.427 -8.995 173 HD22 LEU 20 2HD2 LEU 20 25.440 8.610 -10.041 174 HD23 LEU 20 3HD2 LEU 20 24.707 10.040 -9.277 175 H SER 21 H SER 21 24.036 12.729 -13.724 176 HA SER 21 HA SER 21 26.734 12.741 -14.772 177 HB2 SER 21 1HB SER 21 25.772 13.940 -16.654 178 HB3 SER 21 2HB SER 21 24.728 12.599 -16.209 179 HG SER 21 HG SER 21 23.832 14.448 -14.769 180 H LYS 22 H LYS 22 24.769 14.993 -12.946 181 HA LYS 22 HA LYS 22 26.683 17.179 -13.217 182 HB2 LYS 22 1HB LYS 22 24.381 16.665 -11.299 183 HB3 LYS 22 2HB LYS 22 25.395 18.099 -11.216 184 HG2 LYS 22 1HG LYS 22 24.708 18.741 -13.486 185 HG3 LYS 22 2HG LYS 22 23.713 17.282 -13.603 186 HD2 LYS 22 1HD LYS 22 22.353 18.041 -11.690 187 HD3 LYS 22 2HD LYS 22 23.359 19.488 -11.540 188 HE2 LYS 22 1HE LYS 22 22.681 20.219 -13.785 189 HE3 LYS 22 2HE LYS 22 21.726 18.751 -13.997 190 HZ1 LYS 22 1HZ LYS 22 20.370 20.598 -13.335 191 HZ2 LYS 22 2HZ LYS 22 20.357 19.446 -12.153 192 HZ3 LYS 22 3HZ LYS 22 21.249 20.819 -11.957 193 H GLN 23 H GLN 23 26.009 14.633 -10.812 194 HA GLN 23 HA GLN 23 28.290 15.214 -9.170 195 HB2 GLN 23 1HB GLN 23 26.542 13.736 -8.354 196 HB3 GLN 23 2HB GLN 23 26.775 12.630 -9.701 197 HG2 GLN 23 1HG GLN 23 27.770 11.682 -7.752 198 HG3 GLN 23 2HG GLN 23 29.080 12.169 -8.864 199 HE21 GLN 23 1HE2 GLN 23 28.761 13.742 -5.124 200 HE22 GLN 23 2HE2 GLN 23 27.618 12.599 -5.747 201 H ARG 24 H ARG 24 30.340 14.311 -9.111 202 HA ARG 24 HA ARG 24 31.244 13.280 -11.770 203 HB2 ARG 24 1HB ARG 24 32.852 14.991 -9.847 204 HB3 ARG 24 2HB ARG 24 33.325 14.483 -11.461 205 HG2 ARG 24 1HG ARG 24 31.029 16.349 -10.811 206 HG3 ARG 24 2HG ARG 24 32.639 16.824 -11.408 207 HD2 ARG 24 1HD ARG 24 30.651 15.076 -12.841 208 HD3 ARG 24 2HD ARG 24 31.005 16.784 -13.190 209 HE ARG 24 HE ARG 24 33.422 15.333 -13.288 210 HH11 ARG 24 1HH1 ARG 24 30.391 15.616 -15.043 211 HH12 ARG 24 2HH1 ARG 24 31.093 15.161 -16.578 212 HH21 ARG 24 1HH2 ARG 24 34.321 14.741 -15.288 213 HH22 ARG 24 2HH2 ARG 24 33.317 14.664 -16.718 214 H HIS 25 H HIS 25 30.453 11.375 -10.073 215 HA HIS 25 HA HIS 25 32.966 10.370 -8.794 216 HB2 HIS 25 1HB HIS 25 31.492 11.332 -7.049 217 HB3 HIS 25 2HB HIS 25 30.179 10.290 -7.582 218 HD2 HIS 25 HD2 HIS 25 30.149 8.778 -5.087 219 HE1 HIS 25 HE1 HIS 25 34.073 7.250 -5.649 220 H ASP 26 H ASP 26 33.441 8.863 -10.309 221 HA ASP 26 HA ASP 26 31.652 7.024 -11.487 222 HB2 ASP 26 1HB ASP 26 33.904 7.171 -12.314 223 HB3 ASP 26 2HB ASP 26 34.587 6.790 -10.739 224 H GLY 27 H GLY 27 30.739 5.144 -10.908 225 HA2 GLY 27 1HA GLY 27 30.519 3.164 -9.574 226 HA3 GLY 27 2HA GLY 27 31.485 3.906 -8.313 227 H ALA 28 H ALA 28 29.824 6.465 -8.751 228 HA ALA 28 HA ALA 28 28.046 5.999 -6.559 229 HB1 ALA 28 1HB ALA 28 27.247 8.298 -7.005 230 HB2 ALA 28 2HB ALA 28 29.025 8.204 -7.012 231 HB3 ALA 28 3HB ALA 28 28.132 8.296 -8.547 232 H PHE 29 H PHE 29 25.750 6.180 -6.478 233 HA PHE 29 HA PHE 29 24.355 5.390 -8.967 234 HB2 PHE 29 1HB PHE 29 23.427 3.361 -7.930 235 HB3 PHE 29 2HB PHE 29 25.177 3.264 -8.046 236 HD1 PHE 29 HD1 PHE 29 22.356 3.850 -5.726 237 HD2 PHE 29 HD2 PHE 29 26.537 3.059 -6.115 238 HE1 PHE 29 HE1 PHE 29 22.488 3.366 -3.305 239 HE2 PHE 29 HE2 PHE 29 26.672 2.572 -3.696 240 HZ PHE 29 HZ PHE 29 24.647 2.727 -2.290 241 H LEU 30 H LEU 30 22.020 5.323 -8.738 242 HA LEU 30 HA LEU 30 21.021 6.614 -6.237 243 HB2 LEU 30 1HB LEU 30 21.075 8.081 -8.379 244 HB3 LEU 30 2HB LEU 30 19.750 7.058 -8.945 245 HG LEU 30 HG LEU 30 19.470 8.344 -6.252 246 HD11 LEU 30 1HD1 LEU 30 18.652 10.410 -7.297 247 HD12 LEU 30 2HD1 LEU 30 20.377 10.139 -7.637 248 HD13 LEU 30 3HD1 LEU 30 19.159 9.804 -8.891 249 HD21 LEU 30 1HD2 LEU 30 17.118 8.444 -7.009 250 HD22 LEU 30 2HD2 LEU 30 17.603 7.810 -8.600 251 HD23 LEU 30 3HD2 LEU 30 17.767 6.792 -7.150 252 H ILE 31 H ILE 31 19.928 5.131 -5.160 253 HA ILE 31 HA ILE 31 18.416 3.059 -6.618 254 HB ILE 31 HB ILE 31 19.022 3.517 -3.675 255 HG12 ILE 31 1HG1 ILE 31 19.702 1.155 -5.428 256 HG13 ILE 31 2HG1 ILE 31 20.749 2.559 -5.288 257 HG21 ILE 31 1HG2 ILE 31 17.812 1.419 -3.235 258 HG22 ILE 31 2HG2 ILE 31 16.719 2.663 -3.884 259 HG23 ILE 31 3HG2 ILE 31 17.299 1.352 -4.936 260 HD11 ILE 31 1HD1 ILE 31 21.460 0.782 -3.788 261 HD12 ILE 31 2HD1 ILE 31 20.922 2.205 -2.863 262 HD13 ILE 31 3HD1 ILE 31 19.864 0.781 -3.005 263 H ARG 32 H ARG 32 16.266 2.942 -6.824 264 HA ARG 32 HA ARG 32 14.580 4.929 -5.421 265 HB2 ARG 32 1HB ARG 32 13.691 5.896 -7.412 266 HB3 ARG 32 2HB ARG 32 15.440 5.999 -7.537 267 HG2 ARG 32 1HG ARG 32 15.367 3.916 -8.968 268 HG3 ARG 32 2HG ARG 32 13.595 4.093 -8.982 269 HD2 ARG 32 1HD ARG 32 13.854 6.345 -9.901 270 HD3 ARG 32 2HD ARG 32 15.616 6.101 -9.946 271 HE ARG 32 HE ARG 32 13.598 4.873 -11.685 272 HH11 ARG 32 1HH1 ARG 32 16.950 5.015 -10.645 273 HH12 ARG 32 2HH1 ARG 32 17.561 4.224 -12.081 274 HH21 ARG 32 1HH2 ARG 32 14.403 3.847 -13.545 275 HH22 ARG 32 2HH2 ARG 32 16.120 3.563 -13.723 276 H GLU 33 H GLU 33 12.289 4.557 -5.695 277 HA GLU 33 HA GLU 33 11.694 1.690 -6.018 278 HB2 GLU 33 1HB GLU 33 10.751 2.912 -4.093 279 HB3 GLU 33 2HB GLU 33 9.939 4.033 -5.177 280 HG2 GLU 33 1HG GLU 33 8.570 2.200 -6.067 281 HG3 GLU 33 2HG GLU 33 9.394 1.061 -5.004 282 H SER 34 H SER 34 10.639 0.764 -7.648 283 HA SER 34 HA SER 34 10.304 2.197 -10.117 284 HB2 SER 34 1HB SER 34 10.812 -0.167 -10.130 285 HB3 SER 34 2HB SER 34 9.368 -0.539 -9.201 286 HG SER 34 HG SER 34 9.679 -0.207 -11.823 287 H GLU 35 H GLU 35 8.547 3.023 -11.121 288 HA GLU 35 HA GLU 35 6.099 3.373 -9.538 289 HB2 GLU 35 1HB GLU 35 6.841 4.266 -12.354 290 HB3 GLU 35 2HB GLU 35 5.335 4.675 -11.544 291 HG2 GLU 35 1HG GLU 35 6.671 5.794 -9.748 292 HG3 GLU 35 2HG GLU 35 8.122 5.485 -10.698 293 H SER 36 H SER 36 7.240 1.463 -12.263 294 HA SER 36 HA SER 36 4.558 0.560 -12.989 295 HB2 SER 36 1HB SER 36 5.678 -0.814 -14.623 296 HB3 SER 36 2HB SER 36 6.415 0.781 -14.635 297 HG SER 36 HG SER 36 7.422 -1.236 -12.994 298 H ALA 37 H ALA 37 7.076 -0.436 -10.814 299 HA ALA 37 HA ALA 37 5.288 -2.645 -9.954 300 HB1 ALA 37 1HB ALA 37 7.248 -4.096 -9.538 301 HB2 ALA 37 2HB ALA 37 7.083 -3.689 -11.262 302 HB3 ALA 37 3HB ALA 37 8.304 -2.863 -10.266 303 HA PRO 38 HA PRO 38 6.302 0.327 -6.591 304 HB2 PRO 38 1HB PRO 38 3.620 -0.873 -5.784 305 HB3 PRO 38 2HB PRO 38 4.191 0.791 -5.600 306 HG2 PRO 38 1HG PRO 38 2.520 0.256 -7.595 307 HG3 PRO 38 2HG PRO 38 3.915 1.292 -7.912 308 HD2 PRO 38 1HD PRO 38 3.531 -1.659 -8.548 309 HD3 PRO 38 2HD PRO 38 4.284 -0.362 -9.560 310 H GLY 39 H GLY 39 7.230 -0.213 -4.652 311 HA2 GLY 39 1HA GLY 39 7.605 -1.603 -2.730 312 HA3 GLY 39 2HA GLY 39 6.831 -2.945 -3.552 313 H ASP 40 H ASP 40 8.407 -2.221 -6.067 314 HA ASP 40 HA ASP 40 10.953 -3.528 -5.235 315 HB2 ASP 40 1HB ASP 40 9.555 -3.356 -7.933 316 HB3 ASP 40 2HB ASP 40 11.173 -4.010 -7.717 317 H PHE 41 H PHE 41 12.916 -2.902 -6.457 318 HA PHE 41 HA PHE 41 12.936 0.078 -6.702 319 HB2 PHE 41 1HB PHE 41 14.796 -1.782 -5.198 320 HB3 PHE 41 2HB PHE 41 15.331 -0.192 -5.720 321 HD1 PHE 41 HD1 PHE 41 12.778 -1.949 -3.674 322 HD2 PHE 41 HD2 PHE 41 14.764 1.740 -4.510 323 HE1 PHE 41 HE1 PHE 41 11.763 -0.946 -1.656 324 HE2 PHE 41 HE2 PHE 41 13.753 2.746 -2.491 325 HZ PHE 41 HZ PHE 41 12.250 1.401 -1.064 326 H SER 42 H SER 42 14.448 1.010 -8.130 327 HA SER 42 HA SER 42 16.073 -0.938 -9.712 328 HB2 SER 42 1HB SER 42 15.196 1.893 -10.370 329 HB3 SER 42 2HB SER 42 16.325 0.957 -11.338 330 HG SER 42 HG SER 42 14.676 0.155 -12.226 331 H LEU 43 H LEU 43 18.266 -0.451 -10.131 332 HA LEU 43 HA LEU 43 19.431 1.632 -8.333 333 HB2 LEU 43 1HB LEU 43 19.824 -0.902 -7.793 334 HB3 LEU 43 2HB LEU 43 20.940 -0.846 -9.163 335 HG LEU 43 HG LEU 43 21.250 1.197 -6.984 336 HD11 LEU 43 1HD1 LEU 43 22.625 -0.378 -5.699 337 HD12 LEU 43 2HD1 LEU 43 20.926 -0.901 -5.778 338 HD13 LEU 43 3HD1 LEU 43 22.149 -1.692 -6.800 339 HD21 LEU 43 1HD2 LEU 43 23.622 0.901 -7.613 340 HD22 LEU 43 2HD2 LEU 43 23.162 -0.395 -8.743 341 HD23 LEU 43 3HD2 LEU 43 22.624 1.276 -9.039 342 H SER 44 H SER 44 19.970 3.276 -9.598 343 HA SER 44 HA SER 44 21.102 2.696 -12.285 344 HB2 SER 44 1HB SER 44 19.878 5.148 -11.009 345 HB3 SER 44 2HB SER 44 20.827 5.263 -12.483 346 HG SER 44 HG SER 44 19.403 4.096 -13.541 347 H VAL 45 H VAL 45 23.223 2.584 -12.459 348 HA VAL 45 HA VAL 45 24.846 3.988 -10.382 349 HB VAL 45 HB VAL 45 24.952 1.506 -10.315 350 HG11 VAL 45 1HG1 VAL 45 25.990 0.266 -12.151 351 HG12 VAL 45 2HG1 VAL 45 24.470 1.046 -12.649 352 HG13 VAL 45 3HG1 VAL 45 26.033 1.751 -13.130 353 HG21 VAL 45 1HG2 VAL 45 27.418 1.315 -10.415 354 HG22 VAL 45 2HG2 VAL 45 27.496 2.837 -11.335 355 HG23 VAL 45 3HG2 VAL 45 26.921 2.844 -9.651 356 H LYS 46 H LYS 46 26.113 5.592 -11.016 357 HA LYS 46 HA LYS 46 26.801 5.915 -13.858 358 HB2 LYS 46 1HB LYS 46 26.253 7.904 -12.514 359 HB3 LYS 46 2HB LYS 46 27.562 7.539 -11.398 360 HG2 LYS 46 1HG LYS 46 29.209 7.891 -13.193 361 HG3 LYS 46 2HG LYS 46 27.899 8.235 -14.331 362 HD2 LYS 46 1HD LYS 46 27.213 10.011 -12.460 363 HD3 LYS 46 2HD LYS 46 28.930 9.886 -12.049 364 HE2 LYS 46 1HE LYS 46 29.396 10.272 -14.547 365 HE3 LYS 46 2HE LYS 46 27.698 10.736 -14.683 366 HZ1 LYS 46 1HZ LYS 46 29.104 12.629 -14.326 367 HZ2 LYS 46 2HZ LYS 46 28.091 12.437 -13.038 368 HZ3 LYS 46 3HZ LYS 46 29.679 12.004 -12.912 369 H PHE 47 H PHE 47 28.127 4.207 -14.405 370 HA PHE 47 HA PHE 47 30.846 4.371 -13.194 371 HB2 PHE 47 1HB PHE 47 31.322 2.276 -14.152 372 HB3 PHE 47 2HB PHE 47 29.658 2.113 -13.615 373 HD1 PHE 47 HD1 PHE 47 31.900 2.192 -16.466 374 HD2 PHE 47 HD2 PHE 47 27.804 2.176 -15.254 375 HE1 PHE 47 HE1 PHE 47 31.229 1.533 -18.752 376 HE2 PHE 47 HE2 PHE 47 27.129 1.515 -17.539 377 HZ PHE 47 HZ PHE 47 28.842 1.194 -19.289 378 H GLY 48 H GLY 48 32.517 5.279 -14.241 379 HA2 GLY 48 1HA GLY 48 33.487 6.806 -15.693 380 HA3 GLY 48 2HA GLY 48 32.606 6.022 -16.992 381 H ASN 49 H ASN 49 31.376 7.390 -18.102 382 HA ASN 49 HA ASN 49 30.088 9.644 -16.620 383 HB2 ASN 49 1HB ASN 49 31.021 9.439 -19.499 384 HB3 ASN 49 2HB ASN 49 29.986 10.733 -18.910 385 HD21 ASN 49 1HD2 ASN 49 33.966 10.796 -18.278 386 HD22 ASN 49 2HD2 ASN 49 33.170 9.539 -19.166 387 H ASP 50 H ASP 50 29.367 6.684 -17.609 388 HA ASP 50 HA ASP 50 26.679 7.472 -18.650 389 HB2 ASP 50 1HB ASP 50 28.228 4.874 -18.999 390 HB3 ASP 50 2HB ASP 50 26.570 5.120 -19.530 391 H VAL 51 H VAL 51 24.843 6.282 -17.929 392 HA VAL 51 HA VAL 51 25.242 5.061 -15.231 393 HB VAL 51 HB VAL 51 22.719 6.324 -16.387 394 HG11 VAL 51 1HG1 VAL 51 21.878 6.182 -14.094 395 HG12 VAL 51 2HG1 VAL 51 22.253 4.578 -14.766 396 HG13 VAL 51 3HG1 VAL 51 23.364 5.338 -13.602 397 HG21 VAL 51 1HG2 VAL 51 23.188 8.167 -14.803 398 HG22 VAL 51 2HG2 VAL 51 24.716 7.379 -14.341 399 HG23 VAL 51 3HG2 VAL 51 24.497 7.996 -15.996 400 H GLN 52 H GLN 52 24.732 2.996 -14.931 401 HA GLN 52 HA GLN 52 23.123 1.642 -17.051 402 HB2 GLN 52 1HB GLN 52 25.538 0.865 -16.512 403 HB3 GLN 52 2HB GLN 52 24.874 0.249 -15.005 404 HG2 GLN 52 1HG GLN 52 23.452 -1.284 -16.142 405 HG3 GLN 52 2HG GLN 52 23.805 -0.528 -17.721 406 HE21 GLN 52 1HE2 GLN 52 25.801 -3.710 -17.076 407 HE22 GLN 52 2HE2 GLN 52 24.129 -3.329 -16.829 408 H HIS 53 H HIS 53 21.405 0.340 -16.524 409 HA HIS 53 HA HIS 53 20.244 0.992 -13.849 410 HB2 HIS 53 1HB HIS 53 18.892 1.816 -15.671 411 HB3 HIS 53 2HB HIS 53 18.961 0.269 -16.503 412 HD2 HIS 53 HD2 HIS 53 16.188 1.987 -14.823 413 HE1 HIS 53 HE1 HIS 53 15.986 -1.963 -13.272 414 H PHE 54 H PHE 54 20.294 -0.520 -12.374 415 HA PHE 54 HA PHE 54 20.147 -3.365 -13.253 416 HB2 PHE 54 1HB PHE 54 20.831 -2.292 -10.491 417 HB3 PHE 54 2HB PHE 54 21.005 -3.945 -11.059 418 HD1 PHE 54 HD1 PHE 54 22.061 -2.927 -13.879 419 HD2 PHE 54 HD2 PHE 54 23.162 -2.218 -9.813 420 HE1 PHE 54 HE1 PHE 54 24.378 -2.440 -14.593 421 HE2 PHE 54 HE2 PHE 54 25.479 -1.727 -10.523 422 HZ PHE 54 HZ PHE 54 26.087 -1.841 -12.914 423 H LYS 55 H LYS 55 18.748 -4.828 -12.165 424 HA LYS 55 HA LYS 55 16.277 -3.501 -11.171 425 HB2 LYS 55 1HB LYS 55 15.193 -5.696 -11.601 426 HB3 LYS 55 2HB LYS 55 15.921 -5.010 -13.048 427 HG2 LYS 55 1HG LYS 55 17.963 -6.506 -12.488 428 HG3 LYS 55 2HG LYS 55 16.853 -7.355 -11.404 429 HD2 LYS 55 1HD LYS 55 15.265 -7.528 -13.422 430 HD3 LYS 55 2HD LYS 55 16.646 -7.024 -14.407 431 HE2 LYS 55 1HE LYS 55 17.956 -8.940 -13.538 432 HE3 LYS 55 2HE LYS 55 16.566 -9.450 -12.575 433 HZ1 LYS 55 1HZ LYS 55 16.707 -10.655 -14.628 434 HZ2 LYS 55 2HZ LYS 55 15.335 -9.740 -14.615 435 HZ3 LYS 55 3HZ LYS 55 16.633 -9.266 -15.513 436 H VAL 56 H VAL 56 15.792 -3.486 -9.110 437 HA VAL 56 HA VAL 56 17.145 -5.476 -7.342 438 HB VAL 56 HB VAL 56 15.931 -2.763 -6.662 439 HG11 VAL 56 1HG1 VAL 56 16.904 -3.104 -4.443 440 HG12 VAL 56 2HG1 VAL 56 15.678 -4.334 -4.830 441 HG13 VAL 56 3HG1 VAL 56 17.408 -4.743 -4.918 442 HG21 VAL 56 1HG2 VAL 56 18.281 -2.109 -6.251 443 HG22 VAL 56 2HG2 VAL 56 18.821 -3.718 -6.787 444 HG23 VAL 56 3HG2 VAL 56 18.040 -2.612 -7.941 445 H LEU 57 H LEU 57 15.908 -7.099 -6.643 446 HA LEU 57 HA LEU 57 12.957 -6.717 -6.924 447 HB2 LEU 57 1HB LEU 57 14.533 -9.247 -7.504 448 HB3 LEU 57 2HB LEU 57 12.811 -8.974 -7.794 449 HG LEU 57 HG LEU 57 15.073 -7.545 -9.237 450 HD11 LEU 57 1HD1 LEU 57 14.421 -8.948 -11.143 451 HD12 LEU 57 2HD1 LEU 57 14.990 -9.927 -9.771 452 HD13 LEU 57 3HD1 LEU 57 13.248 -9.802 -10.114 453 HD21 LEU 57 1HD2 LEU 57 13.251 -6.768 -10.714 454 HD22 LEU 57 2HD2 LEU 57 12.059 -7.593 -9.679 455 HD23 LEU 57 3HD2 LEU 57 12.995 -6.220 -9.041 456 H ARG 58 H ARG 58 11.586 -7.875 -5.557 457 HA ARG 58 HA ARG 58 12.788 -8.578 -2.965 458 HB2 ARG 58 1HB ARG 58 9.916 -8.424 -3.928 459 HB3 ARG 58 2HB ARG 58 10.369 -8.925 -2.307 460 HG2 ARG 58 1HG ARG 58 11.311 -6.756 -1.828 461 HG3 ARG 58 2HG ARG 58 11.066 -6.237 -3.513 462 HD2 ARG 58 1HD ARG 58 8.831 -7.123 -1.715 463 HD3 ARG 58 2HD ARG 58 9.377 -5.436 -1.852 464 HE ARG 58 HE ARG 58 8.946 -6.220 -4.449 465 HH11 ARG 58 1HH1 ARG 58 7.009 -6.179 -1.518 466 HH12 ARG 58 2HH1 ARG 58 5.499 -5.948 -2.370 467 HH21 ARG 58 1HH2 ARG 58 6.978 -5.921 -5.543 468 HH22 ARG 58 2HH2 ARG 58 5.480 -5.802 -4.648 469 H ASP 59 H ASP 59 12.949 -10.573 -2.089 470 HA ASP 59 HA ASP 59 12.121 -12.882 -3.745 471 HB2 ASP 59 1HB ASP 59 13.405 -14.237 -2.197 472 HB3 ASP 59 2HB ASP 59 14.383 -12.860 -2.687 473 H GLY 60 H GLY 60 11.591 -14.790 -1.878 474 HA2 GLY 60 1HA GLY 60 8.781 -14.198 -1.445 475 HA3 GLY 60 2HA GLY 60 9.600 -15.706 -1.079 476 H ALA 61 H ALA 61 11.550 -13.547 0.350 477 HA ALA 61 HA ALA 61 10.245 -13.912 2.972 478 HB1 ALA 61 1HB ALA 61 12.407 -13.134 3.890 479 HB2 ALA 61 2HB ALA 61 12.621 -14.496 2.765 480 HB3 ALA 61 3HB ALA 61 12.993 -12.839 2.236 481 H GLY 62 H GLY 62 10.236 -11.612 0.555 482 HA2 GLY 62 1HA GLY 62 9.527 -9.367 0.592 483 HA3 GLY 62 2HA GLY 62 9.495 -9.406 2.345 484 H LYS 63 H LYS 63 12.363 -10.664 0.920 485 HA LYS 63 HA LYS 63 13.819 -8.222 1.813 486 HB2 LYS 63 1HB LYS 63 14.598 -11.139 1.582 487 HB3 LYS 63 2HB LYS 63 15.825 -9.883 1.660 488 HG2 LYS 63 1HG LYS 63 14.713 -9.102 3.819 489 HG3 LYS 63 2HG LYS 63 13.767 -10.596 3.757 490 HD2 LYS 63 1HD LYS 63 16.788 -10.629 3.560 491 HD3 LYS 63 2HD LYS 63 15.961 -10.606 5.124 492 HE2 LYS 63 1HE LYS 63 14.697 -12.653 4.443 493 HE3 LYS 63 2HE LYS 63 15.625 -12.696 2.941 494 HZ1 LYS 63 1HZ LYS 63 16.557 -14.140 4.596 495 HZ2 LYS 63 2HZ LYS 63 17.623 -12.929 4.251 496 HZ3 LYS 63 3HZ LYS 63 16.755 -12.890 5.653 497 H TYR 64 H TYR 64 15.585 -7.409 0.593 498 HA TYR 64 HA TYR 64 14.820 -7.509 -2.274 499 HB2 TYR 64 1HB TYR 64 16.305 -5.437 -0.616 500 HB3 TYR 64 2HB TYR 64 16.135 -5.330 -2.362 501 HD1 TYR 64 HD1 TYR 64 14.388 -5.136 0.863 502 HD2 TYR 64 HD2 TYR 64 14.009 -4.809 -3.398 503 HE1 TYR 64 HE1 TYR 64 12.198 -4.023 1.143 504 HE2 TYR 64 HE2 TYR 64 11.819 -3.697 -3.118 505 HH TYR 64 HH TYR 64 10.260 -3.039 -1.683 506 H PHE 65 H PHE 65 16.166 -8.005 -3.895 507 HA PHE 65 HA PHE 65 19.065 -8.213 -3.311 508 HB2 PHE 65 1HB PHE 65 19.275 -10.414 -4.261 509 HB3 PHE 65 2HB PHE 65 18.053 -10.496 -3.001 510 HD1 PHE 65 HD1 PHE 65 18.719 -10.762 -6.570 511 HD2 PHE 65 HD2 PHE 65 15.673 -10.724 -3.575 512 HE1 PHE 65 HE1 PHE 65 17.122 -11.738 -8.186 513 HE2 PHE 65 HE2 PHE 65 14.073 -11.701 -5.187 514 HZ PHE 65 HZ PHE 65 14.798 -12.207 -7.493 515 H LEU 66 H LEU 66 20.312 -8.650 -5.381 516 HA LEU 66 HA LEU 66 18.957 -7.388 -7.713 517 HB2 LEU 66 1HB LEU 66 20.326 -5.733 -6.300 518 HB3 LEU 66 2HB LEU 66 21.755 -6.622 -6.837 519 HG LEU 66 HG LEU 66 19.786 -5.244 -8.696 520 HD11 LEU 66 1HD1 LEU 66 21.547 -3.552 -8.945 521 HD12 LEU 66 2HD1 LEU 66 20.949 -3.637 -7.272 522 HD13 LEU 66 3HD1 LEU 66 22.513 -4.373 -7.698 523 HD21 LEU 66 1HD2 LEU 66 21.570 -5.623 -10.365 524 HD22 LEU 66 2HD2 LEU 66 22.539 -6.473 -9.136 525 HD23 LEU 66 3HD2 LEU 66 20.992 -7.163 -9.686 526 H TRP 67 H TRP 67 22.146 -8.707 -6.707 527 HA TRP 67 HA TRP 67 22.499 -9.658 -9.486 528 HB2 TRP 67 1HB TRP 67 24.417 -9.424 -7.136 529 HB3 TRP 67 2HB TRP 67 24.864 -10.105 -8.695 530 HD1 TRP 67 HD1 TRP 67 24.699 -6.868 -6.878 531 HE1 TRP 67 HE1 TRP 67 25.178 -4.889 -8.472 532 HE3 TRP 67 HE3 TRP 67 24.318 -9.350 -11.350 533 HZ2 TRP 67 HZ2 TRP 67 25.367 -4.466 -11.257 534 HZ3 TRP 67 HZ3 TRP 67 24.657 -8.099 -13.443 535 HH2 TRP 67 HH2 TRP 67 25.178 -5.695 -13.405 536 H VAL 68 H VAL 68 24.145 -11.210 -6.839 537 HA VAL 68 HA VAL 68 22.467 -13.641 -7.173 538 HB VAL 68 HB VAL 68 25.500 -13.565 -7.472 539 HG11 VAL 68 1HG1 VAL 68 25.324 -15.971 -7.880 540 HG12 VAL 68 2HG1 VAL 68 24.779 -15.532 -6.244 541 HG13 VAL 68 3HG1 VAL 68 23.585 -15.907 -7.510 542 HG21 VAL 68 1HG2 VAL 68 25.030 -14.379 -9.760 543 HG22 VAL 68 2HG2 VAL 68 23.283 -14.258 -9.443 544 HG23 VAL 68 3HG2 VAL 68 24.286 -12.788 -9.478 545 H VAL 69 H VAL 69 25.473 -12.504 -5.561 546 HA VAL 69 HA VAL 69 25.091 -13.869 -3.117 547 HB VAL 69 HB VAL 69 27.150 -12.575 -3.859 548 HG11 VAL 69 1HG1 VAL 69 27.253 -10.188 -3.331 549 HG12 VAL 69 2HG1 VAL 69 26.047 -10.541 -4.591 550 HG13 VAL 69 3HG1 VAL 69 25.521 -10.204 -2.923 551 HG21 VAL 69 1HG2 VAL 69 27.730 -11.861 -1.562 552 HG22 VAL 69 2HG2 VAL 69 26.012 -11.935 -1.106 553 HG23 VAL 69 3HG2 VAL 69 26.879 -13.423 -1.553 554 H LYS 70 H LYS 70 24.078 -13.396 -1.206 555 HA LYS 70 HA LYS 70 22.094 -11.166 -1.332 556 HB2 LYS 70 1HB LYS 70 20.956 -13.292 -1.824 557 HB3 LYS 70 2HB LYS 70 21.626 -14.016 -0.368 558 HG2 LYS 70 1HG LYS 70 19.353 -13.435 0.074 559 HG3 LYS 70 2HG LYS 70 20.374 -12.316 0.987 560 HD2 LYS 70 1HD LYS 70 19.994 -10.542 -0.574 561 HD3 LYS 70 2HD LYS 70 19.274 -11.643 -1.758 562 HE2 LYS 70 1HE LYS 70 18.101 -10.965 0.964 563 HE3 LYS 70 2HE LYS 70 17.558 -10.309 -0.582 564 HZ1 LYS 70 1HZ LYS 70 16.194 -12.132 0.130 565 HZ2 LYS 70 2HZ LYS 70 16.983 -12.538 -1.261 566 HZ3 LYS 70 3HZ LYS 70 17.490 -13.151 0.185 567 H PHE 71 H PHE 71 22.106 -9.839 0.329 568 HA PHE 71 HA PHE 71 23.186 -10.873 2.920 569 HB2 PHE 71 1HB PHE 71 23.305 -8.067 1.751 570 HB3 PHE 71 2HB PHE 71 23.718 -8.448 3.415 571 HD1 PHE 71 HD1 PHE 71 24.647 -9.096 -0.115 572 HD2 PHE 71 HD2 PHE 71 25.830 -9.330 3.983 573 HE1 PHE 71 HE1 PHE 71 26.956 -9.633 -0.814 574 HE2 PHE 71 HE2 PHE 71 28.142 -9.864 3.289 575 HZ PHE 71 HZ PHE 71 28.703 -10.018 0.888 576 H ASN 72 H ASN 72 22.421 -8.935 4.629 577 HA ASN 72 HA ASN 72 19.674 -9.769 5.022 578 HB2 ASN 72 1HB ASN 72 21.552 -7.961 6.559 579 HB3 ASN 72 2HB ASN 72 19.880 -8.202 7.048 580 HD21 ASN 72 1HD2 ASN 72 22.148 -10.604 8.799 581 HD22 ASN 72 2HD2 ASN 72 22.141 -8.884 8.588 582 H SER 73 H SER 73 21.134 -7.135 3.427 583 HA SER 73 HA SER 73 18.495 -5.991 2.882 584 HB2 SER 73 1HB SER 73 18.999 -4.819 4.938 585 HB3 SER 73 2HB SER 73 20.618 -4.429 4.381 586 HG SER 73 HG SER 73 18.404 -3.096 4.031 587 H LEU 74 H LEU 74 18.425 -4.772 1.008 588 HA LEU 74 HA LEU 74 20.290 -4.857 -1.014 589 HB2 LEU 74 1HB LEU 74 18.102 -3.835 -1.299 590 HB3 LEU 74 2HB LEU 74 18.528 -2.520 -0.198 591 HG LEU 74 HG LEU 74 20.271 -1.780 -1.847 592 HD11 LEU 74 1HD1 LEU 74 20.157 -2.687 -4.126 593 HD12 LEU 74 2HD1 LEU 74 20.627 -3.932 -2.945 594 HD13 LEU 74 3HD1 LEU 74 18.967 -3.894 -3.586 595 HD21 LEU 74 1HD2 LEU 74 18.626 -0.825 -3.426 596 HD22 LEU 74 2HD2 LEU 74 17.413 -2.006 -2.876 597 HD23 LEU 74 3HD2 LEU 74 18.018 -0.765 -1.754 598 H ASN 75 H ASN 75 20.331 -2.729 1.817 599 HA ASN 75 HA ASN 75 22.320 -0.934 0.789 600 HB2 ASN 75 1HB ASN 75 21.353 -1.548 3.593 601 HB3 ASN 75 2HB ASN 75 22.585 -0.338 3.260 602 HD21 ASN 75 1HD2 ASN 75 19.206 1.236 3.399 603 HD22 ASN 75 2HD2 ASN 75 20.111 0.209 4.460 604 H GLU 76 H GLU 76 22.522 -4.111 2.059 605 HA GLU 76 HA GLU 76 25.308 -3.758 2.972 606 HB2 GLU 76 1HB GLU 76 23.410 -6.136 3.008 607 HB3 GLU 76 2HB GLU 76 25.077 -6.218 3.560 608 HG2 GLU 76 1HG GLU 76 24.559 -4.430 5.227 609 HG3 GLU 76 2HG GLU 76 22.872 -4.505 4.720 610 H LEU 77 H LEU 77 23.471 -5.385 0.410 611 HA LEU 77 HA LEU 77 25.764 -6.880 -0.542 612 HB2 LEU 77 1HB LEU 77 24.323 -7.720 -2.212 613 HB3 LEU 77 2HB LEU 77 23.302 -7.510 -0.787 614 HG LEU 77 HG LEU 77 22.799 -5.154 -1.962 615 HD11 LEU 77 1HD1 LEU 77 22.698 -5.436 -4.399 616 HD12 LEU 77 2HD1 LEU 77 24.369 -5.523 -3.797 617 HD13 LEU 77 3HD1 LEU 77 23.509 -7.013 -4.250 618 HD21 LEU 77 1HD2 LEU 77 20.811 -6.240 -2.951 619 HD22 LEU 77 2HD2 LEU 77 21.595 -7.830 -2.783 620 HD23 LEU 77 3HD2 LEU 77 21.160 -6.893 -1.332 621 H VAL 78 H VAL 78 24.274 -3.788 -1.311 622 HA VAL 78 HA VAL 78 25.862 -3.304 -3.681 623 HB VAL 78 HB VAL 78 25.127 -0.972 -3.433 624 HG11 VAL 78 1HG1 VAL 78 22.707 -1.323 -3.479 625 HG12 VAL 78 2HG1 VAL 78 23.578 -2.561 -4.415 626 HG13 VAL 78 3HG1 VAL 78 22.931 -2.954 -2.804 627 HG21 VAL 78 1HG2 VAL 78 23.763 -0.300 -1.480 628 HG22 VAL 78 2HG2 VAL 78 24.028 -1.900 -0.747 629 HG23 VAL 78 3HG2 VAL 78 25.400 -0.790 -0.984 630 H ASP 79 H ASP 79 26.359 -2.935 -0.228 631 HA ASP 79 HA ASP 79 28.808 -1.400 -0.481 632 HB2 ASP 79 1HB ASP 79 27.409 -1.531 1.612 633 HB3 ASP 79 2HB ASP 79 27.913 -3.206 1.802 634 H TYR 80 H TYR 80 28.051 -4.872 -0.053 635 HA TYR 80 HA TYR 80 30.664 -5.890 -0.360 636 HB2 TYR 80 1HB TYR 80 28.803 -7.358 0.167 637 HB3 TYR 80 2HB TYR 80 27.993 -6.963 -1.344 638 HD1 TYR 80 HD1 TYR 80 31.020 -8.597 0.076 639 HD2 TYR 80 HD2 TYR 80 28.427 -8.164 -3.314 640 HE1 TYR 80 HE1 TYR 80 32.140 -10.505 -1.025 641 HE2 TYR 80 HE2 TYR 80 29.547 -10.072 -4.415 642 HH TYR 80 HH TYR 80 32.206 -11.815 -2.818 643 H HIS 81 H HIS 81 28.294 -4.986 -2.872 644 HA HIS 81 HA HIS 81 30.304 -5.412 -4.987 645 HB2 HIS 81 1HB HIS 81 27.410 -4.508 -4.988 646 HB3 HIS 81 2HB HIS 81 28.409 -4.451 -6.434 647 HD2 HIS 81 HD2 HIS 81 26.068 -6.992 -4.710 648 HE1 HIS 81 HE1 HIS 81 28.722 -9.189 -7.196 649 H ARG 82 H ARG 82 30.043 -3.095 -2.737 650 HA ARG 82 HA ARG 82 30.950 -0.944 -4.542 651 HB2 ARG 82 1HB ARG 82 29.719 -0.322 -2.520 652 HB3 ARG 82 2HB ARG 82 30.893 -1.154 -1.512 653 HG2 ARG 82 1HG ARG 82 32.624 0.438 -2.141 654 HG3 ARG 82 2HG ARG 82 31.494 1.253 -3.249 655 HD2 ARG 82 1HD ARG 82 31.632 2.482 -1.214 656 HD3 ARG 82 2HD ARG 82 30.028 1.721 -1.325 657 HE ARG 82 HE ARG 82 30.526 0.405 0.497 658 HH11 ARG 82 1HH1 ARG 82 33.434 2.033 -0.612 659 HH12 ARG 82 2HH1 ARG 82 34.370 1.592 0.799 660 HH21 ARG 82 1HH2 ARG 82 31.751 -0.161 2.324 661 HH22 ARG 82 2HH2 ARG 82 33.419 0.350 2.461 662 H SER 83 H SER 83 32.309 -3.092 -2.027 663 HA SER 83 HA SER 83 35.028 -2.274 -2.436 664 HB2 SER 83 1HB SER 83 33.853 -4.844 -1.330 665 HB3 SER 83 2HB SER 83 35.560 -4.434 -1.276 666 HG SER 83 HG SER 83 33.386 -3.212 -0.020 667 H THR 84 H THR 84 33.006 -4.816 -3.861 668 HA THR 84 HA THR 84 35.235 -5.361 -5.779 669 HB THR 84 HB THR 84 33.129 -7.313 -4.751 670 HG1 THR 84 HG1 THR 84 34.859 -8.245 -3.692 671 HG21 THR 84 1HG2 THR 84 34.369 -8.980 -6.075 672 HG22 THR 84 2HG2 THR 84 33.714 -7.698 -7.120 673 HG23 THR 84 3HG2 THR 84 35.440 -7.701 -6.692 674 H SER 85 H SER 85 34.825 -5.308 -7.902 675 HA SER 85 HA SER 85 32.610 -3.877 -8.888 676 HB2 SER 85 1HB SER 85 34.562 -4.022 -10.233 677 HB3 SER 85 2HB SER 85 34.560 -5.779 -10.200 678 HG SER 85 HG SER 85 33.433 -5.692 -11.892 679 H VAL 86 H VAL 86 30.764 -4.447 -10.046 680 HA VAL 86 HA VAL 86 29.382 -6.759 -9.032 681 HB VAL 86 HB VAL 86 27.564 -6.068 -10.546 682 HG11 VAL 86 1HG1 VAL 86 27.215 -3.803 -9.688 683 HG12 VAL 86 2HG1 VAL 86 27.812 -4.908 -8.428 684 HG13 VAL 86 3HG1 VAL 86 28.919 -3.733 -9.180 685 HG21 VAL 86 1HG2 VAL 86 27.886 -4.133 -12.054 686 HG22 VAL 86 2HG2 VAL 86 29.611 -4.082 -11.617 687 HG23 VAL 86 3HG2 VAL 86 28.957 -5.482 -12.500 688 H SER 87 H SER 87 31.582 -6.324 -11.606 689 HA SER 87 HA SER 87 30.904 -8.947 -12.763 690 HB2 SER 87 1HB SER 87 29.421 -7.554 -14.039 691 HB3 SER 87 2HB SER 87 30.665 -6.339 -14.288 692 HG SER 87 HG SER 87 30.114 -8.146 -15.901 693 H ARG 88 H ARG 88 32.530 -9.827 -14.077 694 HA ARG 88 HA ARG 88 35.201 -8.745 -13.564 695 HB2 ARG 88 1HB ARG 88 34.246 -11.176 -15.113 696 HB3 ARG 88 2HB ARG 88 35.937 -10.756 -14.887 697 HG2 ARG 88 1HG ARG 88 35.689 -10.998 -12.457 698 HG3 ARG 88 2HG ARG 88 33.970 -11.408 -12.677 699 HD2 ARG 88 1HD ARG 88 34.601 -13.340 -14.002 700 HD3 ARG 88 2HD ARG 88 36.318 -12.930 -13.786 701 HE ARG 88 HE ARG 88 35.146 -13.102 -11.237 702 HH11 ARG 88 1HH1 ARG 88 35.877 -15.189 -13.967 703 HH12 ARG 88 2HH1 ARG 88 36.068 -16.621 -12.982 704 HH21 ARG 88 1HH2 ARG 88 35.398 -14.969 -9.969 705 HH22 ARG 88 2HH2 ARG 88 35.797 -16.498 -10.718 706 H ASN 89 H ASN 89 32.810 -8.275 -15.903 707 HA ASN 89 HA ASN 89 34.860 -7.418 -17.906 708 HB2 ASN 89 1HB ASN 89 31.984 -8.301 -18.326 709 HB3 ASN 89 2HB ASN 89 33.019 -7.638 -19.584 710 HD21 ASN 89 1HD2 ASN 89 33.213 -11.520 -18.595 711 HD22 ASN 89 2HD2 ASN 89 32.040 -10.421 -17.949 712 H GLN 90 H GLN 90 32.000 -6.517 -16.081 713 HA GLN 90 HA GLN 90 32.252 -3.757 -17.195 714 HB2 GLN 90 1HB GLN 90 29.902 -4.986 -15.700 715 HB3 GLN 90 2HB GLN 90 29.951 -3.387 -16.429 716 HG2 GLN 90 1HG GLN 90 30.200 -4.417 -18.657 717 HG3 GLN 90 2HG GLN 90 30.086 -6.029 -17.896 718 HE21 GLN 90 1HE2 GLN 90 26.739 -5.183 -19.197 719 HE22 GLN 90 2HE2 GLN 90 28.318 -5.461 -19.853 720 H GLN 91 H GLN 91 33.775 -2.808 -15.945 721 HA GLN 91 HA GLN 91 34.058 -3.566 -13.154 722 HB2 GLN 91 1HB GLN 91 35.457 -1.445 -14.831 723 HB3 GLN 91 2HB GLN 91 35.896 -1.842 -13.176 724 HG2 GLN 91 1HG GLN 91 35.881 -3.882 -15.403 725 HG3 GLN 91 2HG GLN 91 37.303 -2.890 -14.972 726 HE21 GLN 91 1HE2 GLN 91 36.572 -6.295 -13.027 727 HE22 GLN 91 2HE2 GLN 91 35.852 -5.838 -14.535 728 H ILE 92 H ILE 92 31.875 -2.939 -12.498 729 HA ILE 92 HA ILE 92 31.684 0.001 -12.000 730 HB ILE 92 HB ILE 92 29.407 -2.022 -12.134 731 HG12 ILE 92 1HG1 ILE 92 30.297 0.032 -14.173 732 HG13 ILE 92 2HG1 ILE 92 30.462 -1.711 -14.324 733 HG21 ILE 92 1HG2 ILE 92 27.982 -0.014 -12.132 734 HG22 ILE 92 2HG2 ILE 92 28.969 -0.099 -10.655 735 HG23 ILE 92 3HG2 ILE 92 29.425 1.014 -11.966 736 HD11 ILE 92 1HD1 ILE 92 28.555 -0.898 -15.595 737 HD12 ILE 92 2HD1 ILE 92 28.018 -1.960 -14.272 738 HD13 ILE 92 3HD1 ILE 92 27.850 -0.195 -14.120 739 H PHE 93 H PHE 93 31.784 0.689 -9.988 740 HA PHE 93 HA PHE 93 31.364 -1.323 -7.815 741 HB2 PHE 93 1HB PHE 93 33.178 1.119 -7.736 742 HB3 PHE 93 2HB PHE 93 33.007 -0.100 -6.484 743 HD1 PHE 93 HD1 PHE 93 33.980 0.278 -10.068 744 HD2 PHE 93 HD2 PHE 93 34.447 -1.915 -6.432 745 HE1 PHE 93 HE1 PHE 93 35.810 -1.028 -11.094 746 HE2 PHE 93 HE2 PHE 93 36.280 -3.222 -7.453 747 HZ PHE 93 HZ PHE 93 36.960 -2.779 -9.786 748 H LEU 94 H LEU 94 29.683 -0.970 -6.559 749 HA LEU 94 HA LEU 94 28.088 1.417 -7.018 750 HB2 LEU 94 1HB LEU 94 27.718 -0.934 -5.129 751 HB3 LEU 94 2HB LEU 94 26.523 0.340 -5.390 752 HG LEU 94 HG LEU 94 27.439 -1.787 -7.342 753 HD11 LEU 94 1HD1 LEU 94 25.042 -2.315 -7.362 754 HD12 LEU 94 2HD1 LEU 94 25.724 -2.420 -5.722 755 HD13 LEU 94 3HD1 LEU 94 24.744 -1.010 -6.190 756 HD21 LEU 94 1HD2 LEU 94 25.989 -0.665 -8.999 757 HD22 LEU 94 2HD2 LEU 94 25.703 0.665 -7.851 758 HD23 LEU 94 3HD2 LEU 94 27.335 0.391 -8.508 759 H ARG 95 H ARG 95 29.516 3.058 -6.242 760 HA ARG 95 HA ARG 95 30.229 2.972 -3.379 761 HB2 ARG 95 1HB ARG 95 30.878 5.019 -5.528 762 HB3 ARG 95 2HB ARG 95 31.507 5.031 -3.888 763 HG2 ARG 95 1HG ARG 95 32.580 2.814 -4.342 764 HG3 ARG 95 2HG ARG 95 32.055 2.973 -6.036 765 HD2 ARG 95 1HD ARG 95 33.301 5.048 -6.224 766 HD3 ARG 95 2HD ARG 95 33.828 4.885 -4.533 767 HE ARG 95 HE ARG 95 35.193 3.054 -5.144 768 HH11 ARG 95 1HH1 ARG 95 33.558 4.516 -7.887 769 HH12 ARG 95 2HH1 ARG 95 34.628 3.797 -9.068 770 HH21 ARG 95 1HH2 ARG 95 36.576 2.126 -6.687 771 HH22 ARG 95 2HH2 ARG 95 36.338 2.443 -8.390 772 H ASP 96 H ASP 96 29.795 4.718 -1.935 773 HA ASP 96 HA ASP 96 27.119 5.634 -1.910 774 HB2 ASP 96 1HB ASP 96 29.599 6.702 -0.508 775 HB3 ASP 96 2HB ASP 96 27.974 7.291 -0.181 Start of MODEL 19 1 H1 MET 1 1H MET 1 -1.055 1.521 -2.348 2 H2 MET 1 2H MET 1 -0.854 2.965 -1.614 3 H3 MET 1 3H MET 1 -0.432 2.780 -3.180 4 HA MET 1 HA MET 1 0.811 1.481 -0.890 5 HB2 MET 1 1HB MET 1 1.387 1.313 -3.872 6 HB3 MET 1 2HB MET 1 2.494 0.742 -2.632 7 HG2 MET 1 1HG MET 1 0.809 -0.875 -1.856 8 HG3 MET 1 2HG MET 1 -0.323 -0.290 -3.077 9 HE1 MET 1 1HE MET 1 3.567 -2.633 -3.934 10 HE2 MET 1 2HE MET 1 3.585 -1.001 -3.221 11 HE3 MET 1 3HE MET 1 2.876 -2.361 -2.317 12 H LYS 2 H LYS 2 1.418 3.280 0.211 13 HA LYS 2 HA LYS 2 2.665 5.569 -0.940 14 HB2 LYS 2 1HB LYS 2 1.802 5.466 1.393 15 HB3 LYS 2 2HB LYS 2 3.087 4.345 1.817 16 HG2 LYS 2 1HG LYS 2 4.773 6.069 1.337 17 HG3 LYS 2 2HG LYS 2 3.493 7.198 0.872 18 HD2 LYS 2 1HD LYS 2 2.535 7.065 3.143 19 HD3 LYS 2 2HD LYS 2 3.795 5.913 3.613 20 HE2 LYS 2 1HE LYS 2 5.527 7.619 3.154 21 HE3 LYS 2 2HE LYS 2 4.272 8.770 2.684 22 HZ1 LYS 2 1HZ LYS 2 4.968 9.097 4.941 23 HZ2 LYS 2 2HZ LYS 2 3.388 8.626 4.910 24 HZ3 LYS 2 3HZ LYS 2 4.560 7.552 5.349 25 HA PRO 3 HA PRO 3 6.381 3.725 -2.237 26 HB2 PRO 3 1HB PRO 3 7.668 5.988 -3.114 27 HB3 PRO 3 2HB PRO 3 6.297 5.286 -3.983 28 HG2 PRO 3 1HG PRO 3 6.313 7.585 -1.979 29 HG3 PRO 3 2HG PRO 3 5.551 7.530 -3.570 30 HD2 PRO 3 1HD PRO 3 4.113 7.044 -1.316 31 HD3 PRO 3 2HD PRO 3 3.785 6.138 -2.847 32 H HIS 4 H HIS 4 8.758 3.900 -1.822 33 HA HIS 4 HA HIS 4 9.247 4.218 1.014 34 HB2 HIS 4 1HB HIS 4 11.065 3.637 -1.346 35 HB3 HIS 4 2HB HIS 4 11.657 3.765 0.305 36 HD2 HIS 4 HD2 HIS 4 9.595 1.295 -1.918 37 HE1 HIS 4 HE1 HIS 4 10.306 -0.542 1.861 38 HA PRO 5 HA PRO 5 10.592 8.412 0.964 39 HB2 PRO 5 1HB PRO 5 11.588 8.546 3.499 40 HB3 PRO 5 2HB PRO 5 9.848 8.454 3.195 41 HG2 PRO 5 1HG PRO 5 11.783 6.220 3.937 42 HG3 PRO 5 2HG PRO 5 10.197 6.572 4.632 43 HD2 PRO 5 1HD PRO 5 10.544 4.675 2.680 44 HD3 PRO 5 2HD PRO 5 9.026 5.650 2.819 45 H TRP 6 H TRP 6 12.451 5.554 1.188 46 HA TRP 6 HA TRP 6 15.058 6.571 1.685 47 HB2 TRP 6 1HB TRP 6 14.145 4.180 0.037 48 HB3 TRP 6 2HB TRP 6 15.822 4.503 0.453 49 HD1 TRP 6 HD1 TRP 6 12.887 2.653 1.677 50 HE1 TRP 6 HE1 TRP 6 13.214 1.866 4.119 51 HE3 TRP 6 HE3 TRP 6 16.954 5.531 2.892 52 HZ2 TRP 6 HZ2 TRP 6 14.979 2.409 6.255 53 HZ3 TRP 6 HZ3 TRP 6 17.913 5.351 5.153 54 HH2 TRP 6 HH2 TRP 6 16.948 3.813 6.812 55 H PHE 7 H PHE 7 16.676 7.343 0.409 56 HA PHE 7 HA PHE 7 17.482 8.725 -1.253 57 HB2 PHE 7 1HB PHE 7 16.342 6.344 -2.640 58 HB3 PHE 7 2HB PHE 7 16.673 7.737 -3.658 59 HD1 PHE 7 HD1 PHE 7 18.145 5.165 -1.498 60 HD2 PHE 7 HD2 PHE 7 18.935 8.500 -4.048 61 HE1 PHE 7 HE1 PHE 7 20.534 4.532 -1.581 62 HE2 PHE 7 HE2 PHE 7 21.324 7.870 -4.136 63 HZ PHE 7 HZ PHE 7 22.123 5.886 -2.900 64 H PHE 8 H PHE 8 14.868 7.927 -3.420 65 HA PHE 8 HA PHE 8 13.809 10.692 -3.074 66 HB2 PHE 8 1HB PHE 8 14.804 9.443 -5.666 67 HB3 PHE 8 2HB PHE 8 13.843 10.911 -5.592 68 HD1 PHE 8 HD1 PHE 8 17.099 9.407 -4.739 69 HD2 PHE 8 HD2 PHE 8 14.799 13.001 -4.947 70 HE1 PHE 8 HE1 PHE 8 19.159 10.741 -4.438 71 HE2 PHE 8 HE2 PHE 8 16.858 14.338 -4.650 72 HZ PHE 8 HZ PHE 8 19.038 13.206 -4.393 73 H GLY 9 H GLY 9 12.992 7.674 -2.777 74 HA2 GLY 9 1HA GLY 9 11.098 6.382 -3.129 75 HA3 GLY 9 2HA GLY 9 10.232 7.897 -3.304 76 H LYS 10 H LYS 10 9.040 7.833 -5.099 77 HA LYS 10 HA LYS 10 9.942 6.327 -7.453 78 HB2 LYS 10 1HB LYS 10 7.442 7.960 -6.871 79 HB3 LYS 10 2HB LYS 10 7.746 7.178 -8.416 80 HG2 LYS 10 1HG LYS 10 7.725 4.986 -7.382 81 HG3 LYS 10 2HG LYS 10 7.609 5.707 -5.771 82 HD2 LYS 10 1HD LYS 10 5.412 6.592 -6.240 83 HD3 LYS 10 2HD LYS 10 5.540 6.149 -7.950 84 HE2 LYS 10 1HE LYS 10 5.591 3.765 -7.349 85 HE3 LYS 10 2HE LYS 10 5.526 4.178 -5.633 86 HZ1 LYS 10 1HZ LYS 10 3.375 3.594 -6.483 87 HZ2 LYS 10 2HZ LYS 10 3.377 5.176 -6.016 88 HZ3 LYS 10 3HZ LYS 10 3.438 4.788 -7.618 89 H ILE 11 H ILE 11 11.868 8.080 -7.162 90 HA ILE 11 HA ILE 11 11.509 10.428 -8.797 91 HB ILE 11 HB ILE 11 13.482 9.890 -7.218 92 HG12 ILE 11 1HG1 ILE 11 14.033 10.908 -10.015 93 HG13 ILE 11 2HG1 ILE 11 13.388 11.851 -8.680 94 HG21 ILE 11 1HG2 ILE 11 15.383 8.740 -8.277 95 HG22 ILE 11 2HG2 ILE 11 13.984 7.653 -8.125 96 HG23 ILE 11 3HG2 ILE 11 14.378 8.380 -9.702 97 HD11 ILE 11 1HD1 ILE 11 15.764 12.269 -8.981 98 HD12 ILE 11 2HD1 ILE 11 15.459 11.492 -7.408 99 HD13 ILE 11 3HD1 ILE 11 16.113 10.539 -8.760 100 HA PRO 12 HA PRO 12 11.452 8.545 -12.805 101 HB2 PRO 12 1HB PRO 12 12.093 10.751 -14.288 102 HB3 PRO 12 2HB PRO 12 10.500 10.561 -13.544 103 HG2 PRO 12 1HG PRO 12 12.927 12.087 -12.485 104 HG3 PRO 12 2HG PRO 12 11.272 12.676 -12.675 105 HD2 PRO 12 1HD PRO 12 12.134 11.777 -10.275 106 HD3 PRO 12 2HD PRO 12 10.453 11.417 -10.840 107 H ARG 13 H ARG 13 13.014 7.637 -14.119 108 HA ARG 13 HA ARG 13 15.746 7.602 -13.437 109 HB2 ARG 13 1HB ARG 13 14.451 6.043 -15.013 110 HB3 ARG 13 2HB ARG 13 14.702 7.255 -16.260 111 HG2 ARG 13 1HG ARG 13 17.172 6.499 -14.861 112 HG3 ARG 13 2HG ARG 13 16.371 5.158 -15.715 113 HD2 ARG 13 1HD ARG 13 17.228 7.805 -16.854 114 HD3 ARG 13 2HD ARG 13 17.911 6.198 -17.193 115 HE ARG 13 HE ARG 13 15.178 6.103 -17.819 116 HH11 ARG 13 1HH1 ARG 13 18.082 7.749 -18.915 117 HH12 ARG 13 2HH1 ARG 13 17.524 7.901 -20.566 118 HH21 ARG 13 1HH2 ARG 13 14.465 6.306 -19.965 119 HH22 ARG 13 2HH2 ARG 13 15.477 7.084 -21.162 120 H ALA 14 H ALA 14 13.970 9.726 -15.665 121 HA ALA 14 HA ALA 14 15.907 11.243 -16.839 122 HB1 ALA 14 1HB ALA 14 14.453 13.217 -16.513 123 HB2 ALA 14 2HB ALA 14 13.515 11.777 -16.972 124 HB3 ALA 14 3HB ALA 14 13.532 12.326 -15.280 125 H LYS 15 H LYS 15 14.782 11.898 -13.489 126 HA LYS 15 HA LYS 15 16.725 14.021 -13.226 127 HB2 LYS 15 1HB LYS 15 14.401 13.739 -12.065 128 HB3 LYS 15 2HB LYS 15 15.265 12.735 -10.909 129 HG2 LYS 15 1HG LYS 15 15.149 14.920 -9.987 130 HG3 LYS 15 2HG LYS 15 16.824 14.677 -10.504 131 HD2 LYS 15 1HD LYS 15 16.295 15.888 -12.634 132 HD3 LYS 15 2HD LYS 15 14.673 16.212 -12.006 133 HE2 LYS 15 1HE LYS 15 15.581 17.496 -10.156 134 HE3 LYS 15 2HE LYS 15 17.232 17.055 -10.600 135 HZ1 LYS 15 1HZ LYS 15 16.668 19.242 -11.365 136 HZ2 LYS 15 2HZ LYS 15 16.937 18.254 -12.657 137 HZ3 LYS 15 3HZ LYS 15 15.395 18.668 -12.241 138 H ALA 16 H ALA 16 16.563 10.652 -12.176 139 HA ALA 16 HA ALA 16 18.617 10.815 -10.212 140 HB1 ALA 16 1HB ALA 16 18.721 8.353 -10.419 141 HB2 ALA 16 2HB ALA 16 17.042 8.937 -10.331 142 HB3 ALA 16 3HB ALA 16 17.732 8.443 -11.895 143 H GLU 17 H GLU 17 18.722 10.089 -13.686 144 HA GLU 17 HA GLU 17 21.580 9.598 -13.694 145 HB2 GLU 17 1HB GLU 17 19.627 10.243 -15.940 146 HB3 GLU 17 2HB GLU 17 21.313 9.812 -16.191 147 HG2 GLU 17 1HG GLU 17 20.820 7.646 -14.961 148 HG3 GLU 17 2HG GLU 17 19.115 8.086 -15.050 149 H GLU 18 H GLU 18 19.495 12.386 -14.417 150 HA GLU 18 HA GLU 18 21.488 14.170 -15.320 151 HB2 GLU 18 1HB GLU 18 19.084 14.682 -15.422 152 HB3 GLU 18 2HB GLU 18 18.994 14.737 -13.668 153 HG2 GLU 18 1HG GLU 18 20.550 16.667 -13.670 154 HG3 GLU 18 2HG GLU 18 20.564 16.628 -15.432 155 H MET 19 H MET 19 20.368 13.505 -11.995 156 HA MET 19 HA MET 19 22.072 15.389 -10.713 157 HB2 MET 19 1HB MET 19 20.693 12.853 -9.823 158 HB3 MET 19 2HB MET 19 21.792 13.687 -8.736 159 HG2 MET 19 1HG MET 19 20.403 15.762 -9.032 160 HG3 MET 19 2HG MET 19 19.253 14.794 -9.960 161 HE1 MET 19 1HE MET 19 17.511 12.570 -7.426 162 HE2 MET 19 2HE MET 19 17.395 13.437 -8.977 163 HE3 MET 19 3HE MET 19 18.647 12.194 -8.743 164 H LEU 20 H LEU 20 22.572 11.965 -11.541 165 HA LEU 20 HA LEU 20 25.121 11.738 -10.266 166 HB2 LEU 20 1HB LEU 20 23.893 10.219 -12.592 167 HB3 LEU 20 2HB LEU 20 25.410 9.767 -11.809 168 HG LEU 20 HG LEU 20 22.723 9.891 -10.399 169 HD11 LEU 20 1HD1 LEU 20 22.790 7.440 -10.520 170 HD12 LEU 20 2HD1 LEU 20 22.737 8.178 -12.138 171 HD13 LEU 20 3HD1 LEU 20 24.269 7.530 -11.506 172 HD21 LEU 20 1HD2 LEU 20 23.938 8.647 -8.642 173 HD22 LEU 20 2HD2 LEU 20 25.433 8.754 -9.600 174 HD23 LEU 20 3HD2 LEU 20 24.691 10.232 -8.943 175 H SER 21 H SER 21 24.134 12.709 -13.531 176 HA SER 21 HA SER 21 26.836 12.773 -14.567 177 HB2 SER 21 1HB SER 21 25.851 13.798 -16.519 178 HB3 SER 21 2HB SER 21 24.810 12.489 -15.981 179 HG SER 21 HG SER 21 23.908 14.436 -14.679 180 H LYS 22 H LYS 22 24.998 14.878 -12.575 181 HA LYS 22 HA LYS 22 26.936 17.078 -13.026 182 HB2 LYS 22 1HB LYS 22 24.510 16.838 -11.203 183 HB3 LYS 22 2HB LYS 22 25.576 18.236 -11.237 184 HG2 LYS 22 1HG LYS 22 25.004 18.625 -13.605 185 HG3 LYS 22 2HG LYS 22 23.935 17.216 -13.574 186 HD2 LYS 22 1HD LYS 22 22.592 18.286 -11.779 187 HD3 LYS 22 2HD LYS 22 23.651 19.704 -11.849 188 HE2 LYS 22 1HE LYS 22 23.016 20.072 -14.206 189 HE3 LYS 22 2HE LYS 22 21.976 18.646 -14.157 190 HZ1 LYS 22 1HZ LYS 22 20.734 20.654 -13.825 191 HZ2 LYS 22 2HZ LYS 22 20.669 19.729 -12.461 192 HZ3 LYS 22 3HZ LYS 22 21.639 21.062 -12.508 193 H GLN 23 H GLN 23 26.247 14.432 -10.862 194 HA GLN 23 HA GLN 23 27.924 15.307 -8.694 195 HB2 GLN 23 1HB GLN 23 26.190 13.499 -8.526 196 HB3 GLN 23 2HB GLN 23 27.207 12.465 -9.519 197 HG2 GLN 23 1HG GLN 23 27.522 11.840 -7.250 198 HG3 GLN 23 2HG GLN 23 29.005 12.681 -7.783 199 HE21 GLN 23 1HE2 GLN 23 28.922 14.878 -5.118 200 HE22 GLN 23 2HE2 GLN 23 29.825 13.949 -6.268 201 H ARG 24 H ARG 24 28.502 13.329 -11.592 202 HA ARG 24 HA ARG 24 30.461 12.709 -12.627 203 HB2 ARG 24 1HB ARG 24 31.872 14.855 -11.028 204 HB3 ARG 24 2HB ARG 24 32.288 14.232 -12.617 205 HG2 ARG 24 1HG ARG 24 29.873 15.931 -11.947 206 HG3 ARG 24 2HG ARG 24 31.350 16.457 -12.790 207 HD2 ARG 24 1HD ARG 24 29.446 14.336 -13.755 208 HD3 ARG 24 2HD ARG 24 29.491 16.025 -14.310 209 HE ARG 24 HE ARG 24 32.065 14.832 -14.572 210 HH11 ARG 24 1HH1 ARG 24 28.859 14.817 -16.009 211 HH12 ARG 24 2HH1 ARG 24 29.436 14.365 -17.597 212 HH21 ARG 24 1HH2 ARG 24 32.802 14.246 -16.639 213 HH22 ARG 24 2HH2 ARG 24 31.667 14.042 -17.955 214 H HIS 25 H HIS 25 29.708 11.489 -10.080 215 HA HIS 25 HA HIS 25 32.421 10.687 -9.095 216 HB2 HIS 25 1HB HIS 25 30.940 11.587 -7.341 217 HB3 HIS 25 2HB HIS 25 29.703 10.409 -7.761 218 HD2 HIS 25 HD2 HIS 25 29.922 9.113 -5.140 219 HE1 HIS 25 HE1 HIS 25 33.888 7.773 -5.863 220 H ASP 26 H ASP 26 32.949 9.192 -10.645 221 HA ASP 26 HA ASP 26 31.330 7.094 -11.593 222 HB2 ASP 26 1HB ASP 26 33.486 7.495 -12.593 223 HB3 ASP 26 2HB ASP 26 34.320 7.231 -11.068 224 H GLY 27 H GLY 27 30.533 5.278 -10.788 225 HA2 GLY 27 1HA GLY 27 30.690 3.325 -9.342 226 HA3 GLY 27 2HA GLY 27 31.594 4.279 -8.181 227 H ALA 28 H ALA 28 29.749 6.617 -8.557 228 HA ALA 28 HA ALA 28 28.009 6.057 -6.380 229 HB1 ALA 28 1HB ALA 28 26.982 8.245 -6.907 230 HB2 ALA 28 2HB ALA 28 28.760 8.328 -6.930 231 HB3 ALA 28 3HB ALA 28 27.852 8.270 -8.458 232 H PHE 29 H PHE 29 25.673 6.141 -6.321 233 HA PHE 29 HA PHE 29 24.315 5.231 -8.782 234 HB2 PHE 29 1HB PHE 29 23.439 3.198 -7.720 235 HB3 PHE 29 2HB PHE 29 25.193 3.146 -7.805 236 HD1 PHE 29 HD1 PHE 29 22.319 3.703 -5.544 237 HD2 PHE 29 HD2 PHE 29 26.524 3.017 -5.848 238 HE1 PHE 29 HE1 PHE 29 22.422 3.272 -3.113 239 HE2 PHE 29 HE2 PHE 29 26.631 2.581 -3.417 240 HZ PHE 29 HZ PHE 29 24.579 2.711 -2.049 241 H LEU 30 H LEU 30 22.008 5.220 -8.623 242 HA LEU 30 HA LEU 30 20.939 6.461 -6.125 243 HB2 LEU 30 1HB LEU 30 21.044 7.939 -8.271 244 HB3 LEU 30 2HB LEU 30 19.711 6.933 -8.845 245 HG LEU 30 HG LEU 30 19.421 8.199 -6.147 246 HD11 LEU 30 1HD1 LEU 30 18.661 10.297 -7.173 247 HD12 LEU 30 2HD1 LEU 30 20.386 9.995 -7.491 248 HD13 LEU 30 3HD1 LEU 30 19.181 9.705 -8.768 249 HD21 LEU 30 1HD2 LEU 30 17.084 8.358 -6.939 250 HD22 LEU 30 2HD2 LEU 30 17.580 7.739 -8.532 251 HD23 LEU 30 3HD2 LEU 30 17.701 6.696 -7.096 252 H ILE 31 H ILE 31 19.830 4.956 -5.096 253 HA ILE 31 HA ILE 31 18.361 2.905 -6.634 254 HB ILE 31 HB ILE 31 18.938 3.256 -3.669 255 HG12 ILE 31 1HG1 ILE 31 19.707 0.981 -5.495 256 HG13 ILE 31 2HG1 ILE 31 20.705 2.417 -5.319 257 HG21 ILE 31 1HG2 ILE 31 17.787 1.105 -3.338 258 HG22 ILE 31 2HG2 ILE 31 16.665 2.344 -3.949 259 HG23 ILE 31 3HG2 ILE 31 17.299 1.098 -5.050 260 HD11 ILE 31 1HD1 ILE 31 21.477 0.627 -3.864 261 HD12 ILE 31 2HD1 ILE 31 20.891 2.007 -2.903 262 HD13 ILE 31 3HD1 ILE 31 19.882 0.552 -3.081 263 H ARG 32 H ARG 32 16.231 2.849 -6.930 264 HA ARG 32 HA ARG 32 14.528 4.755 -5.424 265 HB2 ARG 32 1HB ARG 32 13.649 5.796 -7.385 266 HB3 ARG 32 2HB ARG 32 15.400 5.906 -7.492 267 HG2 ARG 32 1HG ARG 32 15.338 3.877 -9.001 268 HG3 ARG 32 2HG ARG 32 13.568 4.057 -9.025 269 HD2 ARG 32 1HD ARG 32 13.838 6.341 -9.857 270 HD3 ARG 32 2HD ARG 32 15.600 6.101 -9.891 271 HE ARG 32 HE ARG 32 13.604 4.940 -11.700 272 HH11 ARG 32 1HH1 ARG 32 16.942 5.036 -10.610 273 HH12 ARG 32 2HH1 ARG 32 17.571 4.298 -12.067 274 HH21 ARG 32 1HH2 ARG 32 14.431 3.983 -13.586 275 HH22 ARG 32 2HH2 ARG 32 16.151 3.703 -13.752 276 H GLU 33 H GLU 33 12.217 4.434 -5.828 277 HA GLU 33 HA GLU 33 11.635 1.561 -6.188 278 HB2 GLU 33 1HB GLU 33 10.687 2.805 -4.247 279 HB3 GLU 33 2HB GLU 33 9.819 3.860 -5.353 280 HG2 GLU 33 1HG GLU 33 8.454 2.043 -6.134 281 HG3 GLU 33 2HG GLU 33 9.427 0.865 -5.257 282 H SER 34 H SER 34 10.590 0.671 -7.846 283 HA SER 34 HA SER 34 10.205 2.167 -10.273 284 HB2 SER 34 1HB SER 34 10.731 -0.194 -10.353 285 HB3 SER 34 2HB SER 34 9.302 -0.599 -9.415 286 HG SER 34 HG SER 34 9.576 -0.197 -12.031 287 H GLU 35 H GLU 35 8.434 3.030 -11.204 288 HA GLU 35 HA GLU 35 6.019 3.321 -9.558 289 HB2 GLU 35 1HB GLU 35 6.691 4.335 -12.350 290 HB3 GLU 35 2HB GLU 35 5.227 4.734 -11.463 291 HG2 GLU 35 1HG GLU 35 6.669 5.733 -9.667 292 HG3 GLU 35 2HG GLU 35 8.063 5.462 -10.712 293 H SER 36 H SER 36 7.118 1.481 -12.332 294 HA SER 36 HA SER 36 4.411 0.616 -13.044 295 HB2 SER 36 1HB SER 36 5.493 -0.691 -14.761 296 HB3 SER 36 2HB SER 36 6.207 0.914 -14.738 297 HG SER 36 HG SER 36 7.292 -1.151 -13.208 298 H ALA 37 H ALA 37 6.999 -0.442 -10.984 299 HA ALA 37 HA ALA 37 5.256 -2.701 -10.158 300 HB1 ALA 37 1HB ALA 37 7.235 -4.159 -9.883 301 HB2 ALA 37 2HB ALA 37 7.001 -3.678 -11.581 302 HB3 ALA 37 3HB ALA 37 8.258 -2.891 -10.599 303 HA PRO 38 HA PRO 38 6.438 0.119 -6.700 304 HB2 PRO 38 1HB PRO 38 3.732 -1.021 -5.892 305 HB3 PRO 38 2HB PRO 38 4.366 0.612 -5.647 306 HG2 PRO 38 1HG PRO 38 2.634 0.229 -7.625 307 HG3 PRO 38 2HG PRO 38 4.058 1.226 -7.929 308 HD2 PRO 38 1HD PRO 38 3.556 -1.680 -8.679 309 HD3 PRO 38 2HD PRO 38 4.324 -0.365 -9.657 310 H GLY 39 H GLY 39 7.368 -0.549 -4.798 311 HA2 GLY 39 1HA GLY 39 7.673 -2.063 -2.946 312 HA3 GLY 39 2HA GLY 39 6.914 -3.342 -3.874 313 H ASP 40 H ASP 40 8.526 -2.481 -6.308 314 HA ASP 40 HA ASP 40 11.037 -3.879 -5.542 315 HB2 ASP 40 1HB ASP 40 9.646 -3.413 -8.198 316 HB3 ASP 40 2HB ASP 40 11.313 -3.966 -8.111 317 H PHE 41 H PHE 41 13.073 -3.142 -6.349 318 HA PHE 41 HA PHE 41 13.135 -0.161 -6.517 319 HB2 PHE 41 1HB PHE 41 15.082 -2.172 -5.348 320 HB3 PHE 41 2HB PHE 41 15.568 -0.527 -5.724 321 HD1 PHE 41 HD1 PHE 41 13.136 0.985 -4.946 322 HD2 PHE 41 HD2 PHE 41 15.131 -2.270 -3.030 323 HE1 PHE 41 HE1 PHE 41 12.271 1.745 -2.758 324 HE2 PHE 41 HE2 PHE 41 14.265 -1.516 -0.841 325 HZ PHE 41 HZ PHE 41 12.835 0.494 -0.706 326 H SER 42 H SER 42 14.543 0.863 -7.987 327 HA SER 42 HA SER 42 16.119 -0.985 -9.734 328 HB2 SER 42 1HB SER 42 15.068 1.808 -10.287 329 HB3 SER 42 2HB SER 42 16.218 0.973 -11.319 330 HG SER 42 HG SER 42 14.688 -0.130 -12.100 331 H LEU 43 H LEU 43 18.275 -0.499 -10.156 332 HA LEU 43 HA LEU 43 19.462 1.571 -8.355 333 HB2 LEU 43 1HB LEU 43 19.896 -0.979 -7.922 334 HB3 LEU 43 2HB LEU 43 20.974 -0.857 -9.315 335 HG LEU 43 HG LEU 43 21.336 1.132 -7.105 336 HD11 LEU 43 1HD1 LEU 43 22.699 -0.470 -5.841 337 HD12 LEU 43 2HD1 LEU 43 20.992 -0.967 -5.904 338 HD13 LEU 43 3HD1 LEU 43 22.192 -1.772 -6.943 339 HD21 LEU 43 1HD2 LEU 43 23.696 0.802 -7.761 340 HD22 LEU 43 2HD2 LEU 43 23.204 -0.481 -8.891 341 HD23 LEU 43 3HD2 LEU 43 22.689 1.199 -9.174 342 H SER 44 H SER 44 20.028 3.261 -9.530 343 HA SER 44 HA SER 44 21.104 2.798 -12.266 344 HB2 SER 44 1HB SER 44 19.878 5.174 -10.868 345 HB3 SER 44 2HB SER 44 20.858 5.391 -12.310 346 HG SER 44 HG SER 44 19.488 4.158 -13.450 347 H VAL 45 H VAL 45 23.228 2.664 -12.451 348 HA VAL 45 HA VAL 45 24.856 3.801 -10.231 349 HB VAL 45 HB VAL 45 25.018 1.366 -10.527 350 HG11 VAL 45 1HG1 VAL 45 25.931 0.392 -12.576 351 HG12 VAL 45 2HG1 VAL 45 24.387 1.226 -12.866 352 HG13 VAL 45 3HG1 VAL 45 25.919 1.996 -13.344 353 HG21 VAL 45 1HG2 VAL 45 27.472 1.200 -10.807 354 HG22 VAL 45 2HG2 VAL 45 27.499 2.833 -11.515 355 HG23 VAL 45 3HG2 VAL 45 27.031 2.608 -9.812 356 H LYS 46 H LYS 46 26.076 5.513 -10.590 357 HA LYS 46 HA LYS 46 26.561 6.485 -13.297 358 HB2 LYS 46 1HB LYS 46 26.205 8.086 -11.485 359 HB3 LYS 46 2HB LYS 46 27.561 7.427 -10.581 360 HG2 LYS 46 1HG LYS 46 28.184 9.518 -11.640 361 HG3 LYS 46 2HG LYS 46 29.111 8.186 -12.345 362 HD2 LYS 46 1HD LYS 46 27.845 8.202 -14.343 363 HD3 LYS 46 2HD LYS 46 26.533 9.136 -13.610 364 HE2 LYS 46 1HE LYS 46 27.884 10.534 -15.118 365 HE3 LYS 46 2HE LYS 46 27.997 11.106 -13.452 366 HZ1 LYS 46 1HZ LYS 46 30.132 11.055 -14.514 367 HZ2 LYS 46 2HZ LYS 46 30.105 9.975 -13.268 368 HZ3 LYS 46 3HZ LYS 46 30.000 9.441 -14.824 369 H PHE 47 H PHE 47 27.700 4.791 -14.276 370 HA PHE 47 HA PHE 47 30.499 4.475 -13.276 371 HB2 PHE 47 1HB PHE 47 29.454 2.331 -13.241 372 HB3 PHE 47 2HB PHE 47 28.671 2.589 -14.792 373 HD1 PHE 47 HD1 PHE 47 32.229 3.077 -13.749 374 HD2 PHE 47 HD2 PHE 47 29.461 0.968 -16.228 375 HE1 PHE 47 HE1 PHE 47 34.111 1.946 -14.886 376 HE2 PHE 47 HE2 PHE 47 31.341 -0.167 -17.365 377 HZ PHE 47 HZ PHE 47 33.666 0.325 -16.694 378 H GLY 48 H GLY 48 32.099 5.257 -14.476 379 HA2 GLY 48 1HA GLY 48 33.089 6.529 -16.146 380 HA3 GLY 48 2HA GLY 48 32.077 5.677 -17.298 381 H ASN 49 H ASN 49 31.185 7.195 -18.562 382 HA ASN 49 HA ASN 49 30.064 9.635 -17.272 383 HB2 ASN 49 1HB ASN 49 30.826 9.001 -20.135 384 HB3 ASN 49 2HB ASN 49 29.907 10.432 -19.687 385 HD21 ASN 49 1HD2 ASN 49 33.732 10.838 -19.737 386 HD22 ASN 49 2HD2 ASN 49 32.708 9.882 -20.756 387 H ASP 50 H ASP 50 28.964 6.726 -17.643 388 HA ASP 50 HA ASP 50 26.286 7.636 -18.591 389 HB2 ASP 50 1HB ASP 50 27.687 5.031 -19.316 390 HB3 ASP 50 2HB ASP 50 25.989 5.364 -19.632 391 H VAL 51 H VAL 51 24.494 6.574 -17.698 392 HA VAL 51 HA VAL 51 25.124 5.228 -15.111 393 HB VAL 51 HB VAL 51 22.541 6.600 -15.967 394 HG11 VAL 51 1HG1 VAL 51 21.982 6.496 -13.586 395 HG12 VAL 51 2HG1 VAL 51 22.213 4.877 -14.287 396 HG13 VAL 51 3HG1 VAL 51 23.487 5.598 -13.274 397 HG21 VAL 51 1HG2 VAL 51 23.267 8.429 -14.467 398 HG22 VAL 51 2HG2 VAL 51 24.809 7.586 -14.189 399 HG23 VAL 51 3HG2 VAL 51 24.412 8.204 -15.810 400 H GLN 52 H GLN 52 24.862 3.114 -15.058 401 HA GLN 52 HA GLN 52 23.035 1.820 -16.992 402 HB2 GLN 52 1HB GLN 52 25.035 0.677 -15.002 403 HB3 GLN 52 2HB GLN 52 24.019 -0.302 -16.051 404 HG2 GLN 52 1HG GLN 52 26.016 1.747 -17.034 405 HG3 GLN 52 2HG GLN 52 26.323 -0.008 -16.888 406 HE21 GLN 52 1HE2 GLN 52 23.981 -0.837 -19.547 407 HE22 GLN 52 2HE2 GLN 52 24.355 -1.318 -17.925 408 H HIS 53 H HIS 53 21.413 0.348 -16.388 409 HA HIS 53 HA HIS 53 20.283 0.922 -13.673 410 HB2 HIS 53 1HB HIS 53 18.775 1.748 -15.326 411 HB3 HIS 53 2HB HIS 53 18.959 0.317 -16.329 412 HD2 HIS 53 HD2 HIS 53 16.377 1.647 -13.824 413 HE1 HIS 53 HE1 HIS 53 16.065 -2.589 -13.786 414 H PHE 54 H PHE 54 20.231 -0.647 -12.257 415 HA PHE 54 HA PHE 54 20.308 -3.454 -13.278 416 HB2 PHE 54 1HB PHE 54 21.071 -2.434 -10.514 417 HB3 PHE 54 2HB PHE 54 21.244 -4.079 -11.103 418 HD1 PHE 54 HD1 PHE 54 22.160 -3.065 -13.957 419 HD2 PHE 54 HD2 PHE 54 23.420 -2.285 -9.950 420 HE1 PHE 54 HE1 PHE 54 24.431 -2.534 -14.776 421 HE2 PHE 54 HE2 PHE 54 25.692 -1.752 -10.766 422 HZ PHE 54 HZ PHE 54 26.198 -1.878 -13.180 423 H LYS 55 H LYS 55 18.870 -4.965 -12.544 424 HA LYS 55 HA LYS 55 16.372 -3.880 -11.446 425 HB2 LYS 55 1HB LYS 55 15.482 -6.146 -11.855 426 HB3 LYS 55 2HB LYS 55 16.258 -5.491 -13.291 427 HG2 LYS 55 1HG LYS 55 18.346 -6.815 -12.547 428 HG3 LYS 55 2HG LYS 55 17.249 -7.664 -11.451 429 HD2 LYS 55 1HD LYS 55 15.768 -8.097 -13.503 430 HD3 LYS 55 2HD LYS 55 17.138 -7.543 -14.477 431 HE2 LYS 55 1HE LYS 55 18.566 -9.288 -13.443 432 HE3 LYS 55 2HE LYS 55 17.187 -9.850 -12.497 433 HZ1 LYS 55 1HZ LYS 55 17.501 -11.163 -14.463 434 HZ2 LYS 55 2HZ LYS 55 16.060 -10.365 -14.551 435 HZ3 LYS 55 3HZ LYS 55 17.349 -9.840 -15.436 436 H VAL 56 H VAL 56 16.057 -3.649 -9.366 437 HA VAL 56 HA VAL 56 17.310 -5.633 -7.522 438 HB VAL 56 HB VAL 56 16.187 -2.858 -6.943 439 HG11 VAL 56 1HG1 VAL 56 17.147 -3.155 -4.711 440 HG12 VAL 56 2HG1 VAL 56 15.881 -4.357 -5.059 441 HG13 VAL 56 3HG1 VAL 56 17.598 -4.825 -5.129 442 HG21 VAL 56 1HG2 VAL 56 18.558 -2.267 -6.549 443 HG22 VAL 56 2HG2 VAL 56 19.045 -3.910 -7.028 444 HG23 VAL 56 3HG2 VAL 56 18.301 -2.818 -8.221 445 H LEU 57 H LEU 57 15.984 -7.229 -6.913 446 HA LEU 57 HA LEU 57 13.068 -6.712 -7.289 447 HB2 LEU 57 1HB LEU 57 14.545 -9.353 -7.533 448 HB3 LEU 57 2HB LEU 57 12.859 -9.034 -7.951 449 HG LEU 57 HG LEU 57 15.281 -7.885 -9.384 450 HD11 LEU 57 1HD1 LEU 57 14.602 -9.393 -11.198 451 HD12 LEU 57 2HD1 LEU 57 15.024 -10.290 -9.721 452 HD13 LEU 57 3HD1 LEU 57 13.316 -10.059 -10.164 453 HD21 LEU 57 1HD2 LEU 57 13.598 -7.099 -11.015 454 HD22 LEU 57 2HD2 LEU 57 12.296 -7.733 -9.978 455 HD23 LEU 57 3HD2 LEU 57 13.314 -6.388 -9.408 456 H ARG 58 H ARG 58 11.616 -7.290 -5.775 457 HA ARG 58 HA ARG 58 12.705 -7.942 -3.122 458 HB2 ARG 58 1HB ARG 58 10.918 -6.182 -3.549 459 HB3 ARG 58 2HB ARG 58 9.807 -7.498 -3.899 460 HG2 ARG 58 1HG ARG 58 10.023 -8.355 -1.644 461 HG3 ARG 58 2HG ARG 58 11.268 -7.138 -1.271 462 HD2 ARG 58 1HD ARG 58 9.196 -6.411 -0.373 463 HD3 ARG 58 2HD ARG 58 9.600 -5.380 -1.766 464 HE ARG 58 HE ARG 58 7.990 -7.511 -2.673 465 HH11 ARG 58 1HH1 ARG 58 7.762 -4.658 -0.635 466 HH12 ARG 58 2HH1 ARG 58 6.059 -4.413 -0.951 467 HH21 ARG 58 1HH2 ARG 58 5.779 -7.183 -3.075 468 HH22 ARG 58 2HH2 ARG 58 4.935 -5.843 -2.332 469 H ASP 59 H ASP 59 12.547 -9.825 -2.077 470 HA ASP 59 HA ASP 59 11.189 -12.067 -3.463 471 HB2 ASP 59 1HB ASP 59 12.401 -13.523 -1.953 472 HB3 ASP 59 2HB ASP 59 13.531 -12.363 -2.638 473 H GLY 60 H GLY 60 10.497 -13.740 -1.480 474 HA2 GLY 60 1HA GLY 60 7.943 -12.517 -0.753 475 HA3 GLY 60 2HA GLY 60 8.398 -14.197 -0.540 476 H ALA 61 H ALA 61 10.930 -12.477 0.681 477 HA ALA 61 HA ALA 61 9.962 -12.867 3.440 478 HB1 ALA 61 1HB ALA 61 12.323 -12.480 4.069 479 HB2 ALA 61 2HB ALA 61 12.168 -13.760 2.842 480 HB3 ALA 61 3HB ALA 61 12.710 -12.134 2.369 481 H GLY 62 H GLY 62 9.941 -10.394 1.207 482 HA2 GLY 62 1HA GLY 62 9.582 -8.078 1.528 483 HA3 GLY 62 2HA GLY 62 9.915 -8.261 3.239 484 H LYS 63 H LYS 63 12.229 -9.874 1.354 485 HA LYS 63 HA LYS 63 14.159 -7.655 1.826 486 HB2 LYS 63 1HB LYS 63 14.471 -10.658 1.572 487 HB3 LYS 63 2HB LYS 63 15.848 -9.581 1.389 488 HG2 LYS 63 1HG LYS 63 15.298 -8.646 3.680 489 HG3 LYS 63 2HG LYS 63 14.115 -9.952 3.842 490 HD2 LYS 63 1HD LYS 63 16.996 -10.522 3.108 491 HD3 LYS 63 2HD LYS 63 16.493 -10.333 4.794 492 HE2 LYS 63 1HE LYS 63 14.754 -12.117 4.399 493 HE3 LYS 63 2HE LYS 63 15.453 -12.373 2.798 494 HZ1 LYS 63 1HZ LYS 63 16.328 -13.911 4.398 495 HZ2 LYS 63 2HZ LYS 63 17.534 -12.925 3.857 496 HZ3 LYS 63 3HZ LYS 63 16.882 -12.686 5.354 497 H TYR 64 H TYR 64 16.050 -7.659 0.237 498 HA TYR 64 HA TYR 64 14.877 -7.757 -2.511 499 HB2 TYR 64 1HB TYR 64 16.568 -5.577 -1.228 500 HB3 TYR 64 2HB TYR 64 16.262 -5.675 -2.956 501 HD1 TYR 64 HD1 TYR 64 14.722 -5.119 0.353 502 HD2 TYR 64 HD2 TYR 64 14.153 -5.050 -3.899 503 HE1 TYR 64 HE1 TYR 64 12.612 -3.868 0.655 504 HE2 TYR 64 HE2 TYR 64 12.043 -3.799 -3.597 505 HH TYR 64 HH TYR 64 10.489 -3.151 -2.080 506 H PHE 65 H PHE 65 16.183 -8.324 -4.200 507 HA PHE 65 HA PHE 65 19.081 -8.635 -3.651 508 HB2 PHE 65 1HB PHE 65 19.169 -10.839 -4.682 509 HB3 PHE 65 2HB PHE 65 18.063 -10.878 -3.317 510 HD1 PHE 65 HD1 PHE 65 18.409 -11.215 -6.915 511 HD2 PHE 65 HD2 PHE 65 15.620 -10.966 -3.689 512 HE1 PHE 65 HE1 PHE 65 16.638 -12.128 -8.379 513 HE2 PHE 65 HE2 PHE 65 13.847 -11.882 -5.148 514 HZ PHE 65 HZ PHE 65 14.356 -12.461 -7.495 515 H LEU 66 H LEU 66 20.279 -9.134 -5.746 516 HA LEU 66 HA LEU 66 19.000 -7.687 -8.011 517 HB2 LEU 66 1HB LEU 66 20.456 -6.191 -6.493 518 HB3 LEU 66 2HB LEU 66 21.833 -7.105 -7.114 519 HG LEU 66 HG LEU 66 19.904 -5.498 -8.827 520 HD11 LEU 66 1HD1 LEU 66 21.765 -3.910 -9.021 521 HD12 LEU 66 2HD1 LEU 66 21.212 -4.072 -7.338 522 HD13 LEU 66 3HD1 LEU 66 22.711 -4.876 -7.864 523 HD21 LEU 66 1HD2 LEU 66 21.609 -5.875 -10.575 524 HD22 LEU 66 2HD2 LEU 66 22.554 -6.870 -9.439 525 HD23 LEU 66 3HD2 LEU 66 20.949 -7.418 -9.981 526 H TRP 67 H TRP 67 22.148 -9.168 -7.100 527 HA TRP 67 HA TRP 67 22.466 -9.915 -9.941 528 HB2 TRP 67 1HB TRP 67 24.394 -9.931 -7.588 529 HB3 TRP 67 2HB TRP 67 24.820 -10.478 -9.204 530 HD1 TRP 67 HD1 TRP 67 24.787 -7.430 -7.100 531 HE1 TRP 67 HE1 TRP 67 25.287 -5.321 -8.511 532 HE3 TRP 67 HE3 TRP 67 24.213 -9.455 -11.777 533 HZ2 TRP 67 HZ2 TRP 67 25.419 -4.636 -11.247 534 HZ3 TRP 67 HZ3 TRP 67 24.538 -8.018 -13.749 535 HH2 TRP 67 HH2 TRP 67 25.135 -5.646 -13.496 536 H VAL 68 H VAL 68 24.076 -11.721 -7.437 537 HA VAL 68 HA VAL 68 22.302 -14.056 -7.889 538 HB VAL 68 HB VAL 68 25.312 -14.070 -8.375 539 HG11 VAL 68 1HG1 VAL 68 25.023 -16.438 -8.921 540 HG12 VAL 68 2HG1 VAL 68 24.603 -16.088 -7.228 541 HG13 VAL 68 3HG1 VAL 68 23.316 -16.341 -8.431 542 HG21 VAL 68 1HG2 VAL 68 24.664 -14.718 -10.674 543 HG22 VAL 68 2HG2 VAL 68 22.948 -14.562 -10.231 544 HG23 VAL 68 3HG2 VAL 68 23.998 -13.126 -10.242 545 H VAL 69 H VAL 69 25.537 -13.421 -6.428 546 HA VAL 69 HA VAL 69 24.969 -14.532 -3.885 547 HB VAL 69 HB VAL 69 27.221 -13.744 -4.696 548 HG11 VAL 69 1HG1 VAL 69 27.797 -11.377 -4.464 549 HG12 VAL 69 2HG1 VAL 69 26.535 -11.639 -5.691 550 HG13 VAL 69 3HG1 VAL 69 26.099 -11.002 -4.087 551 HG21 VAL 69 1HG2 VAL 69 27.948 -12.880 -2.495 552 HG22 VAL 69 2HG2 VAL 69 26.252 -12.557 -2.062 553 HG23 VAL 69 3HG2 VAL 69 26.806 -14.231 -2.310 554 H LYS 70 H LYS 70 23.986 -13.814 -2.071 555 HA LYS 70 HA LYS 70 22.751 -11.101 -2.168 556 HB2 LYS 70 1HB LYS 70 21.040 -12.772 -2.818 557 HB3 LYS 70 2HB LYS 70 21.347 -13.674 -1.340 558 HG2 LYS 70 1HG LYS 70 20.581 -11.733 -0.006 559 HG3 LYS 70 2HG LYS 70 20.238 -10.857 -1.504 560 HD2 LYS 70 1HD LYS 70 18.653 -12.659 -2.170 561 HD3 LYS 70 2HD LYS 70 18.964 -13.477 -0.632 562 HE2 LYS 70 1HE LYS 70 18.163 -11.435 0.571 563 HE3 LYS 70 2HE LYS 70 17.768 -10.704 -0.987 564 HZ1 LYS 70 1HZ LYS 70 15.861 -11.726 0.016 565 HZ2 LYS 70 2HZ LYS 70 16.240 -12.512 -1.383 566 HZ3 LYS 70 3HZ LYS 70 16.609 -13.195 0.073 567 H PHE 71 H PHE 71 22.700 -9.981 -0.299 568 HA PHE 71 HA PHE 71 23.601 -11.435 2.154 569 HB2 PHE 71 1HB PHE 71 23.931 -8.500 1.413 570 HB3 PHE 71 2HB PHE 71 24.345 -9.184 2.977 571 HD1 PHE 71 HD1 PHE 71 25.130 -9.387 -0.649 572 HD2 PHE 71 HD2 PHE 71 26.424 -10.199 3.340 573 HE1 PHE 71 HE1 PHE 71 27.380 -9.959 -1.498 574 HE2 PHE 71 HE2 PHE 71 28.676 -10.770 2.496 575 HZ PHE 71 HZ PHE 71 29.153 -10.652 0.075 576 H ASN 72 H ASN 72 22.951 -9.537 4.045 577 HA ASN 72 HA ASN 72 20.292 -10.506 4.503 578 HB2 ASN 72 1HB ASN 72 21.988 -8.473 5.982 579 HB3 ASN 72 2HB ASN 72 20.417 -9.024 6.549 580 HD21 ASN 72 1HD2 ASN 72 23.734 -11.261 7.083 581 HD22 ASN 72 2HD2 ASN 72 23.759 -9.720 6.292 582 H SER 73 H SER 73 21.513 -7.626 3.038 583 HA SER 73 HA SER 73 18.755 -6.750 2.518 584 HB2 SER 73 1HB SER 73 19.011 -4.539 3.408 585 HB3 SER 73 2HB SER 73 19.393 -5.676 4.691 586 HG SER 73 HG SER 73 21.239 -4.826 4.798 587 H LEU 74 H LEU 74 18.609 -5.109 0.870 588 HA LEU 74 HA LEU 74 20.397 -5.172 -1.269 589 HB2 LEU 74 1HB LEU 74 18.201 -4.146 -1.444 590 HB3 LEU 74 2HB LEU 74 18.649 -2.890 -0.286 591 HG LEU 74 HG LEU 74 20.325 -2.027 -1.926 592 HD11 LEU 74 1HD1 LEU 74 20.214 -2.833 -4.242 593 HD12 LEU 74 2HD1 LEU 74 20.731 -4.117 -3.123 594 HD13 LEU 74 3HD1 LEU 74 19.064 -4.097 -3.747 595 HD21 LEU 74 1HD2 LEU 74 18.638 -1.050 -3.444 596 HD22 LEU 74 2HD2 LEU 74 17.464 -2.289 -2.938 597 HD23 LEU 74 3HD2 LEU 74 18.047 -1.083 -1.765 598 H ASN 75 H ASN 75 20.458 -3.074 1.601 599 HA ASN 75 HA ASN 75 22.499 -1.315 0.697 600 HB2 ASN 75 1HB ASN 75 21.626 -2.166 3.470 601 HB3 ASN 75 2HB ASN 75 22.887 -0.970 3.203 602 HD21 ASN 75 1HD2 ASN 75 19.590 0.706 3.637 603 HD22 ASN 75 2HD2 ASN 75 20.510 -0.436 4.559 604 H GLU 76 H GLU 76 22.668 -4.491 2.214 605 HA GLU 76 HA GLU 76 25.494 -4.296 2.819 606 HB2 GLU 76 1HB GLU 76 23.522 -6.602 2.740 607 HB3 GLU 76 2HB GLU 76 25.226 -6.845 3.095 608 HG2 GLU 76 1HG GLU 76 24.941 -5.140 4.968 609 HG3 GLU 76 2HG GLU 76 23.206 -5.272 4.689 610 H LEU 77 H LEU 77 23.575 -5.634 0.154 611 HA LEU 77 HA LEU 77 25.821 -7.126 -0.927 612 HB2 LEU 77 1HB LEU 77 24.324 -7.912 -2.542 613 HB3 LEU 77 2HB LEU 77 23.301 -7.655 -1.126 614 HG LEU 77 HG LEU 77 22.851 -5.306 -2.264 615 HD11 LEU 77 1HD1 LEU 77 22.875 -5.470 -4.713 616 HD12 LEU 77 2HD1 LEU 77 24.514 -5.589 -4.030 617 HD13 LEU 77 3HD1 LEU 77 23.678 -7.054 -4.599 618 HD21 LEU 77 1HD2 LEU 77 20.917 -6.338 -3.404 619 HD22 LEU 77 2HD2 LEU 77 21.691 -7.936 -3.272 620 HD23 LEU 77 3HD2 LEU 77 21.180 -7.070 -1.804 621 H VAL 78 H VAL 78 24.365 -3.975 -1.474 622 HA VAL 78 HA VAL 78 25.917 -3.425 -3.873 623 HB VAL 78 HB VAL 78 25.112 -1.120 -3.598 624 HG11 VAL 78 1HG1 VAL 78 22.703 -1.544 -3.678 625 HG12 VAL 78 2HG1 VAL 78 23.622 -2.740 -4.623 626 HG13 VAL 78 3HG1 VAL 78 22.969 -3.177 -3.025 627 HG21 VAL 78 1HG2 VAL 78 23.706 -0.521 -1.651 628 HG22 VAL 78 2HG2 VAL 78 24.010 -2.124 -0.940 629 HG23 VAL 78 3HG2 VAL 78 25.351 -0.969 -1.143 630 H ASP 79 H ASP 79 26.353 -3.046 -0.403 631 HA ASP 79 HA ASP 79 28.804 -1.526 -0.596 632 HB2 ASP 79 1HB ASP 79 27.381 -1.801 1.490 633 HB3 ASP 79 2HB ASP 79 27.973 -3.453 1.607 634 H TYR 80 H TYR 80 28.056 -5.012 -0.369 635 HA TYR 80 HA TYR 80 30.695 -5.990 -0.655 636 HB2 TYR 80 1HB TYR 80 28.861 -7.504 -0.186 637 HB3 TYR 80 2HB TYR 80 28.045 -7.070 -1.681 638 HD1 TYR 80 HD1 TYR 80 31.179 -8.621 -0.374 639 HD2 TYR 80 HD2 TYR 80 28.408 -8.287 -3.633 640 HE1 TYR 80 HE1 TYR 80 32.324 -10.476 -1.537 641 HE2 TYR 80 HE2 TYR 80 29.553 -10.144 -4.797 642 HH TYR 80 HH TYR 80 32.412 -11.716 -3.383 643 H HIS 81 H HIS 81 28.321 -5.126 -3.185 644 HA HIS 81 HA HIS 81 30.389 -5.386 -5.271 645 HB2 HIS 81 1HB HIS 81 27.464 -4.578 -5.327 646 HB3 HIS 81 2HB HIS 81 28.499 -4.517 -6.746 647 HD2 HIS 81 HD2 HIS 81 26.185 -7.096 -5.018 648 HE1 HIS 81 HE1 HIS 81 28.906 -9.249 -7.469 649 H ARG 82 H ARG 82 30.098 -3.183 -2.960 650 HA ARG 82 HA ARG 82 30.933 -0.962 -4.728 651 HB2 ARG 82 1HB ARG 82 29.680 -0.384 -2.712 652 HB3 ARG 82 2HB ARG 82 30.848 -1.222 -1.703 653 HG2 ARG 82 1HG ARG 82 32.574 0.399 -2.293 654 HG3 ARG 82 2HG ARG 82 31.436 1.229 -3.383 655 HD2 ARG 82 1HD ARG 82 31.557 2.407 -1.314 656 HD3 ARG 82 2HD ARG 82 29.961 1.631 -1.450 657 HE ARG 82 HE ARG 82 30.466 0.284 0.346 658 HH11 ARG 82 1HH1 ARG 82 33.372 1.935 -0.736 659 HH12 ARG 82 2HH1 ARG 82 34.312 1.460 0.660 660 HH21 ARG 82 1HH2 ARG 82 31.697 -0.327 2.153 661 HH22 ARG 82 2HH2 ARG 82 33.366 0.179 2.296 662 H SER 83 H SER 83 32.321 -3.082 -2.201 663 HA SER 83 HA SER 83 35.026 -2.159 -2.692 664 HB2 SER 83 1HB SER 83 35.688 -3.866 -1.136 665 HB3 SER 83 2HB SER 83 34.225 -3.110 -0.524 666 HG SER 83 HG SER 83 33.489 -5.056 -2.104 667 H THR 84 H THR 84 32.934 -4.509 -4.132 668 HA THR 84 HA THR 84 35.201 -5.300 -5.901 669 HB THR 84 HB THR 84 33.026 -7.168 -4.859 670 HG1 THR 84 HG1 THR 84 35.606 -6.579 -4.063 671 HG21 THR 84 1HG2 THR 84 34.249 -8.900 -6.114 672 HG22 THR 84 2HG2 THR 84 33.650 -7.629 -7.205 673 HG23 THR 84 3HG2 THR 84 35.367 -7.666 -6.738 674 H SER 85 H SER 85 34.751 -5.551 -8.051 675 HA SER 85 HA SER 85 32.669 -3.965 -9.130 676 HB2 SER 85 1HB SER 85 33.341 -4.824 -11.274 677 HB3 SER 85 2HB SER 85 34.784 -4.603 -10.296 678 HG SER 85 HG SER 85 34.119 -6.711 -11.518 679 H VAL 86 H VAL 86 30.876 -4.581 -10.480 680 HA VAL 86 HA VAL 86 29.208 -6.599 -9.287 681 HB VAL 86 HB VAL 86 27.636 -6.067 -11.117 682 HG11 VAL 86 1HG1 VAL 86 27.360 -3.679 -10.662 683 HG12 VAL 86 2HG1 VAL 86 27.717 -4.602 -9.183 684 HG13 VAL 86 3HG1 VAL 86 28.991 -3.626 -9.954 685 HG21 VAL 86 1HG2 VAL 86 28.283 -4.418 -12.844 686 HG22 VAL 86 2HG2 VAL 86 29.942 -4.396 -12.200 687 HG23 VAL 86 3HG2 VAL 86 29.294 -5.879 -12.939 688 H SER 87 H SER 87 31.419 -6.543 -12.013 689 HA SER 87 HA SER 87 31.402 -9.461 -12.022 690 HB2 SER 87 1HB SER 87 29.542 -9.108 -13.526 691 HB3 SER 87 2HB SER 87 30.436 -7.901 -14.437 692 HG SER 87 HG SER 87 30.371 -10.495 -14.764 693 H ARG 88 H ARG 88 33.143 -10.377 -13.225 694 HA ARG 88 HA ARG 88 35.543 -8.870 -13.309 695 HB2 ARG 88 1HB ARG 88 34.730 -11.428 -14.718 696 HB3 ARG 88 2HB ARG 88 36.354 -10.763 -14.806 697 HG2 ARG 88 1HG ARG 88 36.606 -10.987 -12.384 698 HG3 ARG 88 2HG ARG 88 34.944 -11.613 -12.263 699 HD2 ARG 88 1HD ARG 88 35.547 -13.489 -13.679 700 HD3 ARG 88 2HD ARG 88 37.208 -12.862 -13.804 701 HE ARG 88 HE ARG 88 36.663 -13.082 -11.084 702 HH11 ARG 88 1HH1 ARG 88 36.823 -15.225 -13.862 703 HH12 ARG 88 2HH1 ARG 88 37.316 -16.614 -12.921 704 HH21 ARG 88 1HH2 ARG 88 37.304 -14.892 -9.872 705 HH22 ARG 88 2HH2 ARG 88 37.589 -16.427 -10.661 706 H ASN 89 H ASN 89 32.938 -9.187 -15.601 707 HA ASN 89 HA ASN 89 34.601 -7.982 -17.750 708 HB2 ASN 89 1HB ASN 89 31.830 -9.217 -17.774 709 HB3 ASN 89 2HB ASN 89 32.569 -8.443 -19.168 710 HD21 ASN 89 1HD2 ASN 89 33.143 -12.221 -18.899 711 HD22 ASN 89 2HD2 ASN 89 31.748 -11.270 -18.512 712 H GLN 90 H GLN 90 32.874 -6.901 -15.206 713 HA GLN 90 HA GLN 90 32.252 -4.360 -16.606 714 HB2 GLN 90 1HB GLN 90 30.284 -5.861 -14.833 715 HB3 GLN 90 2HB GLN 90 30.063 -4.214 -15.402 716 HG2 GLN 90 1HG GLN 90 30.153 -5.078 -17.751 717 HG3 GLN 90 2HG GLN 90 30.164 -6.730 -17.070 718 HE21 GLN 90 1HE2 GLN 90 26.705 -4.839 -17.680 719 HE22 GLN 90 2HE2 GLN 90 28.228 -4.371 -18.363 720 H GLN 91 H GLN 91 33.784 -3.173 -15.629 721 HA GLN 91 HA GLN 91 34.379 -3.541 -12.794 722 HB2 GLN 91 1HB GLN 91 35.393 -1.519 -14.832 723 HB3 GLN 91 2HB GLN 91 35.993 -1.655 -13.185 724 HG2 GLN 91 1HG GLN 91 36.079 -3.912 -15.194 725 HG3 GLN 91 2HG GLN 91 37.410 -2.756 -14.907 726 HE21 GLN 91 1HE2 GLN 91 37.068 -6.029 -12.646 727 HE22 GLN 91 2HE2 GLN 91 36.244 -5.774 -14.149 728 H ILE 92 H ILE 92 32.044 -3.077 -12.253 729 HA ILE 92 HA ILE 92 31.645 -0.127 -11.980 730 HB ILE 92 HB ILE 92 29.494 -2.286 -12.022 731 HG12 ILE 92 1HG1 ILE 92 30.634 -0.557 -14.205 732 HG13 ILE 92 2HG1 ILE 92 30.332 -2.289 -14.204 733 HG21 ILE 92 1HG2 ILE 92 27.969 -0.367 -12.258 734 HG22 ILE 92 2HG2 ILE 92 28.902 -0.260 -10.747 735 HG23 ILE 92 3HG2 ILE 92 29.349 0.750 -12.142 736 HD11 ILE 92 1HD1 ILE 92 28.724 -1.118 -15.603 737 HD12 ILE 92 2HD1 ILE 92 27.909 -1.880 -14.215 738 HD13 ILE 92 3HD1 ILE 92 28.214 -0.126 -14.217 739 H PHE 93 H PHE 93 31.685 0.688 -10.012 740 HA PHE 93 HA PHE 93 31.455 -1.236 -7.734 741 HB2 PHE 93 1HB PHE 93 33.228 1.233 -7.823 742 HB3 PHE 93 2HB PHE 93 33.185 -0.000 -6.572 743 HD1 PHE 93 HD1 PHE 93 34.175 0.716 -10.054 744 HD2 PHE 93 HD2 PHE 93 34.364 -2.059 -6.810 745 HE1 PHE 93 HE1 PHE 93 35.954 -0.534 -11.230 746 HE2 PHE 93 HE2 PHE 93 36.146 -3.310 -7.982 747 HZ PHE 93 HZ PHE 93 36.940 -2.548 -10.194 748 H LEU 94 H LEU 94 29.702 -0.863 -6.572 749 HA LEU 94 HA LEU 94 28.173 1.552 -7.068 750 HB2 LEU 94 1HB LEU 94 27.696 -0.741 -5.133 751 HB3 LEU 94 2HB LEU 94 26.526 0.522 -5.525 752 HG LEU 94 HG LEU 94 27.566 -1.666 -7.350 753 HD11 LEU 94 1HD1 LEU 94 25.189 -2.275 -7.434 754 HD12 LEU 94 2HD1 LEU 94 25.819 -2.310 -5.770 755 HD13 LEU 94 3HD1 LEU 94 24.810 -0.947 -6.312 756 HD21 LEU 94 1HD2 LEU 94 26.139 -0.641 -9.087 757 HD22 LEU 94 2HD2 LEU 94 25.771 0.711 -7.988 758 HD23 LEU 94 3HD2 LEU 94 27.433 0.473 -8.583 759 H ARG 95 H ARG 95 29.678 3.140 -6.264 760 HA ARG 95 HA ARG 95 30.323 3.111 -3.409 761 HB2 ARG 95 1HB ARG 95 30.811 5.193 -5.565 762 HB3 ARG 95 2HB ARG 95 31.404 5.305 -3.915 763 HG2 ARG 95 1HG ARG 95 32.714 3.228 -4.267 764 HG3 ARG 95 2HG ARG 95 32.161 3.204 -5.959 765 HD2 ARG 95 1HD ARG 95 33.169 5.396 -6.304 766 HD3 ARG 95 2HD ARG 95 33.746 5.386 -4.621 767 HE ARG 95 HE ARG 95 35.261 3.640 -5.164 768 HH11 ARG 95 1HH1 ARG 95 33.490 4.870 -7.938 769 HH12 ARG 95 2HH1 ARG 95 34.618 4.219 -9.106 770 HH21 ARG 95 1HH2 ARG 95 36.718 2.798 -6.690 771 HH22 ARG 95 2HH2 ARG 95 36.446 3.046 -8.400 772 H ASP 96 H ASP 96 29.823 4.869 -1.960 773 HA ASP 96 HA ASP 96 27.100 5.597 -1.837 774 HB2 ASP 96 1HB ASP 96 29.556 6.905 -0.606 775 HB3 ASP 96 2HB ASP 96 27.909 7.382 -0.216 Start of MODEL 20 1 H1 MET 1 1H MET 1 -1.850 3.162 -2.291 2 H2 MET 1 2H MET 1 -1.362 4.558 -1.597 3 H3 MET 1 3H MET 1 -0.987 4.246 -3.155 4 HA MET 1 HA MET 1 -0.029 2.791 -0.823 5 HB2 MET 1 1HB MET 1 -0.346 1.337 -2.798 6 HB3 MET 1 2HB MET 1 0.601 2.444 -3.782 7 HG2 MET 1 1HG MET 1 2.599 1.966 -2.474 8 HG3 MET 1 2HG MET 1 1.670 0.949 -1.370 9 HE1 MET 1 1HE MET 1 3.987 -1.506 -3.479 10 HE2 MET 1 2HE MET 1 4.371 0.184 -3.070 11 HE3 MET 1 3HE MET 1 3.628 -0.881 -1.851 12 H LYS 2 H LYS 2 1.010 4.359 0.253 13 HA LYS 2 HA LYS 2 2.534 6.446 -0.968 14 HB2 LYS 2 1HB LYS 2 1.731 6.492 1.390 15 HB3 LYS 2 2HB LYS 2 2.855 5.201 1.793 16 HG2 LYS 2 1HG LYS 2 4.757 6.658 1.246 17 HG3 LYS 2 2HG LYS 2 3.641 7.954 0.792 18 HD2 LYS 2 1HD LYS 2 2.736 7.994 3.088 19 HD3 LYS 2 2HD LYS 2 3.826 6.678 3.547 20 HE2 LYS 2 1HE LYS 2 5.775 8.104 3.021 21 HE3 LYS 2 2HE LYS 2 4.693 9.418 2.554 22 HZ1 LYS 2 1HZ LYS 2 5.482 9.678 4.789 23 HZ2 LYS 2 2HZ LYS 2 3.849 9.444 4.799 24 HZ3 LYS 2 3HZ LYS 2 4.861 8.218 5.237 25 HA PRO 3 HA PRO 3 5.947 4.065 -2.272 26 HB2 PRO 3 1HB PRO 3 7.493 6.088 -3.273 27 HB3 PRO 3 2HB PRO 3 6.007 5.567 -4.075 28 HG2 PRO 3 1HG PRO 3 6.424 7.903 -2.160 29 HG3 PRO 3 2HG PRO 3 5.612 7.909 -3.727 30 HD2 PRO 3 1HD PRO 3 4.203 7.702 -1.403 31 HD3 PRO 3 2HD PRO 3 3.680 6.840 -2.904 32 H HIS 4 H HIS 4 8.412 4.121 -1.981 33 HA HIS 4 HA HIS 4 8.983 4.303 0.846 34 HB2 HIS 4 1HB HIS 4 10.689 3.727 -1.593 35 HB3 HIS 4 2HB HIS 4 11.371 3.817 0.025 36 HD2 HIS 4 HD2 HIS 4 9.130 1.432 -2.114 37 HE1 HIS 4 HE1 HIS 4 9.971 -0.467 1.608 38 HA PRO 5 HA PRO 5 10.419 8.453 0.932 39 HB2 PRO 5 1HB PRO 5 11.390 8.491 3.482 40 HB3 PRO 5 2HB PRO 5 9.653 8.439 3.156 41 HG2 PRO 5 1HG PRO 5 11.539 6.148 3.846 42 HG3 PRO 5 2HG PRO 5 9.953 6.506 4.535 43 HD2 PRO 5 1HD PRO 5 10.284 4.665 2.529 44 HD3 PRO 5 2HD PRO 5 8.786 5.668 2.678 45 H TRP 6 H TRP 6 12.232 5.570 1.050 46 HA TRP 6 HA TRP 6 14.853 6.531 1.605 47 HB2 TRP 6 1HB TRP 6 13.923 4.218 -0.143 48 HB3 TRP 6 2HB TRP 6 15.597 4.499 0.314 49 HD1 TRP 6 HD1 TRP 6 12.597 2.669 1.428 50 HE1 TRP 6 HE1 TRP 6 12.880 1.775 3.837 51 HE3 TRP 6 HE3 TRP 6 16.729 5.383 2.794 52 HZ2 TRP 6 HZ2 TRP 6 14.637 2.181 6.009 53 HZ3 TRP 6 HZ3 TRP 6 17.661 5.083 5.054 54 HH2 TRP 6 HH2 TRP 6 16.639 3.507 6.640 55 H PHE 7 H PHE 7 16.477 7.344 0.372 56 HA PHE 7 HA PHE 7 17.318 8.749 -1.255 57 HB2 PHE 7 1HB PHE 7 16.232 6.362 -2.675 58 HB3 PHE 7 2HB PHE 7 16.586 7.756 -3.684 59 HD1 PHE 7 HD1 PHE 7 18.023 5.254 -1.397 60 HD2 PHE 7 HD2 PHE 7 18.839 8.470 -4.088 61 HE1 PHE 7 HE1 PHE 7 20.416 4.635 -1.409 62 HE2 PHE 7 HE2 PHE 7 21.233 7.854 -4.104 63 HZ PHE 7 HZ PHE 7 22.021 5.935 -2.762 64 H PHE 8 H PHE 8 14.903 8.010 -3.611 65 HA PHE 8 HA PHE 8 13.755 10.739 -3.208 66 HB2 PHE 8 1HB PHE 8 14.778 9.512 -5.799 67 HB3 PHE 8 2HB PHE 8 13.811 10.976 -5.721 68 HD1 PHE 8 HD1 PHE 8 17.048 9.474 -4.742 69 HD2 PHE 8 HD2 PHE 8 14.773 13.065 -5.166 70 HE1 PHE 8 HE1 PHE 8 19.101 10.811 -4.415 71 HE2 PHE 8 HE2 PHE 8 16.826 14.406 -4.841 72 HZ PHE 8 HZ PHE 8 18.990 13.277 -4.465 73 H GLY 9 H GLY 9 12.899 7.789 -2.828 74 HA2 GLY 9 1HA GLY 9 11.008 6.492 -3.175 75 HA3 GLY 9 2HA GLY 9 10.160 8.006 -3.421 76 H LYS 10 H LYS 10 8.965 7.820 -5.212 77 HA LYS 10 HA LYS 10 9.919 6.278 -7.517 78 HB2 LYS 10 1HB LYS 10 7.399 7.906 -7.016 79 HB3 LYS 10 2HB LYS 10 7.732 7.085 -8.534 80 HG2 LYS 10 1HG LYS 10 7.711 4.923 -7.440 81 HG3 LYS 10 2HG LYS 10 7.566 5.686 -5.851 82 HD2 LYS 10 1HD LYS 10 5.371 6.554 -6.392 83 HD3 LYS 10 2HD LYS 10 5.527 6.033 -8.076 84 HE2 LYS 10 1HE LYS 10 5.560 3.684 -7.380 85 HE3 LYS 10 2HE LYS 10 5.511 4.161 -5.680 86 HZ1 LYS 10 1HZ LYS 10 3.352 3.547 -6.486 87 HZ2 LYS 10 2HZ LYS 10 3.359 5.145 -6.077 88 HZ3 LYS 10 3HZ LYS 10 3.404 4.699 -7.664 89 H ILE 11 H ILE 11 11.830 8.046 -7.250 90 HA ILE 11 HA ILE 11 11.478 10.355 -8.940 91 HB ILE 11 HB ILE 11 13.436 9.857 -7.327 92 HG12 ILE 11 1HG1 ILE 11 14.001 10.834 -10.137 93 HG13 ILE 11 2HG1 ILE 11 13.348 11.794 -8.818 94 HG21 ILE 11 1HG2 ILE 11 15.356 8.702 -8.349 95 HG22 ILE 11 2HG2 ILE 11 13.961 7.608 -8.192 96 HG23 ILE 11 3HG2 ILE 11 14.366 8.310 -9.776 97 HD11 ILE 11 1HD1 ILE 11 15.725 12.214 -9.117 98 HD12 ILE 11 2HD1 ILE 11 15.417 11.459 -7.534 99 HD13 ILE 11 3HD1 ILE 11 16.079 10.487 -8.871 100 HA PRO 12 HA PRO 12 11.471 8.384 -12.905 101 HB2 PRO 12 1HB PRO 12 12.113 10.561 -14.431 102 HB3 PRO 12 2HB PRO 12 10.515 10.378 -13.698 103 HG2 PRO 12 1HG PRO 12 12.921 11.942 -12.650 104 HG3 PRO 12 2HG PRO 12 11.264 12.515 -12.868 105 HD2 PRO 12 1HD PRO 12 12.109 11.675 -10.441 106 HD3 PRO 12 2HD PRO 12 10.435 11.294 -11.013 107 H ARG 13 H ARG 13 13.052 7.458 -14.185 108 HA ARG 13 HA ARG 13 15.778 7.457 -13.478 109 HB2 ARG 13 1HB ARG 13 14.502 5.860 -15.036 110 HB3 ARG 13 2HB ARG 13 14.769 7.046 -16.304 111 HG2 ARG 13 1HG ARG 13 17.228 6.350 -14.872 112 HG3 ARG 13 2HG ARG 13 16.439 4.963 -15.660 113 HD2 ARG 13 1HD ARG 13 17.226 7.568 -16.943 114 HD3 ARG 13 2HD ARG 13 18.002 5.982 -17.159 115 HE ARG 13 HE ARG 13 15.308 5.665 -17.830 116 HH11 ARG 13 1HH1 ARG 13 18.081 7.499 -18.965 117 HH12 ARG 13 2HH1 ARG 13 17.535 7.534 -20.627 118 HH21 ARG 13 1HH2 ARG 13 14.610 5.717 -19.990 119 HH22 ARG 13 2HH2 ARG 13 15.571 6.525 -21.208 120 H ALA 14 H ALA 14 14.003 9.529 -15.753 121 HA ALA 14 HA ALA 14 15.950 11.030 -16.941 122 HB1 ALA 14 1HB ALA 14 14.474 12.999 -16.686 123 HB2 ALA 14 2HB ALA 14 13.557 11.539 -17.127 124 HB3 ALA 14 3HB ALA 14 13.540 12.128 -15.449 125 H LYS 15 H LYS 15 14.767 11.739 -13.622 126 HA LYS 15 HA LYS 15 16.672 13.896 -13.373 127 HB2 LYS 15 1HB LYS 15 14.338 13.592 -12.233 128 HB3 LYS 15 2HB LYS 15 15.209 12.627 -11.048 129 HG2 LYS 15 1HG LYS 15 15.045 14.824 -10.169 130 HG3 LYS 15 2HG LYS 15 16.727 14.612 -10.673 131 HD2 LYS 15 1HD LYS 15 16.196 15.779 -12.819 132 HD3 LYS 15 2HD LYS 15 14.549 16.055 -12.230 133 HE2 LYS 15 1HE LYS 15 15.367 17.409 -10.391 134 HE3 LYS 15 2HE LYS 15 17.042 17.009 -10.778 135 HZ1 LYS 15 1HZ LYS 15 16.437 19.162 -11.605 136 HZ2 LYS 15 2HZ LYS 15 16.773 18.157 -12.868 137 HZ3 LYS 15 3HZ LYS 15 15.209 18.533 -12.506 138 H ALA 16 H ALA 16 16.550 10.545 -12.258 139 HA ALA 16 HA ALA 16 18.603 10.774 -10.298 140 HB1 ALA 16 1HB ALA 16 18.737 8.309 -10.457 141 HB2 ALA 16 2HB ALA 16 17.050 8.874 -10.377 142 HB3 ALA 16 3HB ALA 16 17.743 8.358 -11.931 143 H GLU 17 H GLU 17 18.710 9.983 -13.758 144 HA GLU 17 HA GLU 17 21.563 9.511 -13.783 145 HB2 GLU 17 1HB GLU 17 19.592 10.169 -16.008 146 HB3 GLU 17 2HB GLU 17 21.282 9.765 -16.282 147 HG2 GLU 17 1HG GLU 17 20.831 7.576 -15.075 148 HG3 GLU 17 2HG GLU 17 19.120 7.992 -15.142 149 H GLU 18 H GLU 18 19.484 12.310 -14.486 150 HA GLU 18 HA GLU 18 21.491 14.098 -15.357 151 HB2 GLU 18 1HB GLU 18 19.096 14.625 -15.486 152 HB3 GLU 18 2HB GLU 18 18.974 14.645 -13.733 153 HG2 GLU 18 1HG GLU 18 20.496 16.580 -13.649 154 HG3 GLU 18 2HG GLU 18 20.611 16.562 -15.407 155 H MET 19 H MET 19 20.357 13.370 -12.053 156 HA MET 19 HA MET 19 22.060 15.265 -10.756 157 HB2 MET 19 1HB MET 19 20.594 12.776 -9.865 158 HB3 MET 19 2HB MET 19 21.693 13.595 -8.765 159 HG2 MET 19 1HG MET 19 20.367 15.703 -9.113 160 HG3 MET 19 2HG MET 19 19.211 14.756 -10.055 161 HE1 MET 19 1HE MET 19 17.384 12.584 -7.525 162 HE2 MET 19 2HE MET 19 17.317 13.419 -9.096 163 HE3 MET 19 3HE MET 19 18.549 12.168 -8.805 164 H LEU 20 H LEU 20 22.509 11.865 -11.655 165 HA LEU 20 HA LEU 20 25.033 11.541 -10.340 166 HB2 LEU 20 1HB LEU 20 23.770 10.145 -12.720 167 HB3 LEU 20 2HB LEU 20 25.319 9.656 -12.024 168 HG LEU 20 HG LEU 20 22.684 9.686 -10.511 169 HD11 LEU 20 1HD1 LEU 20 22.774 7.245 -10.754 170 HD12 LEU 20 2HD1 LEU 20 22.657 8.059 -12.332 171 HD13 LEU 20 3HD1 LEU 20 24.217 7.401 -11.783 172 HD21 LEU 20 1HD2 LEU 20 23.971 8.375 -8.859 173 HD22 LEU 20 2HD2 LEU 20 25.432 8.545 -9.860 174 HD23 LEU 20 3HD2 LEU 20 24.697 9.980 -9.107 175 H SER 21 H SER 21 24.092 12.796 -13.502 176 HA SER 21 HA SER 21 26.828 12.820 -14.510 177 HB2 SER 21 1HB SER 21 25.880 13.919 -16.452 178 HB3 SER 21 2HB SER 21 24.861 12.563 -15.994 179 HG SER 21 HG SER 21 23.891 14.452 -14.636 180 H LYS 22 H LYS 22 24.800 14.964 -12.669 181 HA LYS 22 HA LYS 22 26.664 17.210 -12.938 182 HB2 LYS 22 1HB LYS 22 24.347 16.649 -11.051 183 HB3 LYS 22 2HB LYS 22 25.341 18.095 -10.946 184 HG2 LYS 22 1HG LYS 22 24.677 18.725 -13.239 185 HG3 LYS 22 2HG LYS 22 23.672 17.271 -13.340 186 HD2 LYS 22 1HD LYS 22 22.323 18.058 -11.429 187 HD3 LYS 22 2HD LYS 22 23.338 19.503 -11.300 188 HE2 LYS 22 1HE LYS 22 22.663 20.194 -13.568 189 HE3 LYS 22 2HE LYS 22 21.674 18.741 -13.729 190 HZ1 LYS 22 1HZ LYS 22 20.366 20.632 -13.095 191 HZ2 LYS 22 2HZ LYS 22 20.345 19.511 -11.885 192 HZ3 LYS 22 3HZ LYS 22 21.269 20.869 -11.736 193 H GLN 23 H GLN 23 26.037 14.589 -10.607 194 HA GLN 23 HA GLN 23 28.321 15.173 -8.962 195 HB2 GLN 23 1HB GLN 23 26.625 13.637 -8.161 196 HB3 GLN 23 2HB GLN 23 26.837 12.586 -9.553 197 HG2 GLN 23 1HG GLN 23 27.893 11.575 -7.670 198 HG3 GLN 23 2HG GLN 23 29.171 12.129 -8.788 199 HE21 GLN 23 1HE2 GLN 23 28.902 13.547 -4.982 200 HE22 GLN 23 2HE2 GLN 23 27.760 12.418 -5.630 201 H ARG 24 H ARG 24 30.391 14.324 -8.966 202 HA ARG 24 HA ARG 24 31.266 13.297 -11.635 203 HB2 ARG 24 1HB ARG 24 32.903 15.005 -9.735 204 HB3 ARG 24 2HB ARG 24 33.343 14.508 -11.363 205 HG2 ARG 24 1HG ARG 24 31.053 16.363 -10.659 206 HG3 ARG 24 2HG ARG 24 32.652 16.850 -11.271 207 HD2 ARG 24 1HD ARG 24 30.654 15.110 -12.697 208 HD3 ARG 24 2HD ARG 24 30.999 16.822 -13.033 209 HE ARG 24 HE ARG 24 33.414 15.358 -13.171 210 HH11 ARG 24 1HH1 ARG 24 30.378 15.727 -14.899 211 HH12 ARG 24 2HH1 ARG 24 31.066 15.306 -16.451 212 HH21 ARG 24 1HH2 ARG 24 34.296 14.814 -15.191 213 HH22 ARG 24 2HH2 ARG 24 33.284 14.789 -16.618 214 H HIS 25 H HIS 25 30.737 11.192 -10.481 215 HA HIS 25 HA HIS 25 33.065 10.170 -8.990 216 HB2 HIS 25 1HB HIS 25 31.733 11.285 -7.222 217 HB3 HIS 25 2HB HIS 25 30.323 10.343 -7.687 218 HD2 HIS 25 HD2 HIS 25 31.446 7.234 -7.634 219 HE1 HIS 25 HE1 HIS 25 33.090 8.331 -3.872 220 H ASP 26 H ASP 26 33.187 8.807 -10.823 221 HA ASP 26 HA ASP 26 31.178 6.970 -11.601 222 HB2 ASP 26 1HB ASP 26 34.207 6.848 -11.639 223 HB3 ASP 26 2HB ASP 26 33.233 5.498 -12.205 224 H GLY 27 H GLY 27 30.455 5.055 -10.860 225 HA2 GLY 27 1HA GLY 27 30.605 3.151 -9.317 226 HA3 GLY 27 2HA GLY 27 31.537 4.153 -8.220 227 H ALA 28 H ALA 28 29.810 6.523 -8.648 228 HA ALA 28 HA ALA 28 28.010 6.047 -6.479 229 HB1 ALA 28 1HB ALA 28 27.176 8.326 -6.958 230 HB2 ALA 28 2HB ALA 28 28.956 8.264 -6.946 231 HB3 ALA 28 3HB ALA 28 28.077 8.324 -8.492 232 H PHE 29 H PHE 29 25.712 6.186 -6.425 233 HA PHE 29 HA PHE 29 24.331 5.387 -8.909 234 HB2 PHE 29 1HB PHE 29 23.480 3.292 -7.895 235 HB3 PHE 29 2HB PHE 29 25.222 3.256 -8.117 236 HD1 PHE 29 HD1 PHE 29 22.498 3.433 -5.666 237 HD2 PHE 29 HD2 PHE 29 26.731 3.256 -6.226 238 HE1 PHE 29 HE1 PHE 29 22.789 2.863 -3.279 239 HE2 PHE 29 HE2 PHE 29 27.024 2.683 -3.839 240 HZ PHE 29 HZ PHE 29 25.052 2.489 -2.365 241 H LEU 30 H LEU 30 22.006 5.199 -8.647 242 HA LEU 30 HA LEU 30 20.990 6.496 -6.157 243 HB2 LEU 30 1HB LEU 30 21.064 7.966 -8.294 244 HB3 LEU 30 2HB LEU 30 19.745 6.945 -8.877 245 HG LEU 30 HG LEU 30 19.434 8.222 -6.183 246 HD11 LEU 30 1HD1 LEU 30 18.637 10.296 -7.228 247 HD12 LEU 30 2HD1 LEU 30 20.366 10.021 -7.546 248 HD13 LEU 30 3HD1 LEU 30 19.163 9.698 -8.818 249 HD21 LEU 30 1HD2 LEU 30 17.094 8.333 -6.970 250 HD22 LEU 30 2HD2 LEU 30 17.597 7.707 -8.559 251 HD23 LEU 30 3HD2 LEU 30 17.739 6.680 -7.112 252 H ILE 31 H ILE 31 19.765 5.129 -5.088 253 HA ILE 31 HA ILE 31 18.338 3.000 -6.579 254 HB ILE 31 HB ILE 31 18.924 3.399 -3.620 255 HG12 ILE 31 1HG1 ILE 31 19.750 1.130 -5.429 256 HG13 ILE 31 2HG1 ILE 31 20.717 2.584 -5.245 257 HG21 ILE 31 1HG2 ILE 31 17.819 1.226 -3.268 258 HG22 ILE 31 2HG2 ILE 31 16.672 2.433 -3.894 259 HG23 ILE 31 3HG2 ILE 31 17.336 1.190 -4.980 260 HD11 ILE 31 1HD1 ILE 31 21.511 0.812 -3.783 261 HD12 ILE 31 2HD1 ILE 31 20.889 2.179 -2.828 262 HD13 ILE 31 3HD1 ILE 31 19.910 0.704 -3.015 263 H ARG 32 H ARG 32 16.186 2.868 -6.777 264 HA ARG 32 HA ARG 32 14.509 4.878 -5.388 265 HB2 ARG 32 1HB ARG 32 13.641 5.825 -7.406 266 HB3 ARG 32 2HB ARG 32 15.393 5.933 -7.491 267 HG2 ARG 32 1HG ARG 32 15.366 3.852 -8.916 268 HG3 ARG 32 2HG ARG 32 13.592 4.001 -8.961 269 HD2 ARG 32 1HD ARG 32 13.839 6.257 -9.883 270 HD3 ARG 32 2HD ARG 32 15.602 6.029 -9.908 271 HE ARG 32 HE ARG 32 13.614 4.754 -11.654 272 HH11 ARG 32 1HH1 ARG 32 16.959 5.002 -10.610 273 HH12 ARG 32 2HH1 ARG 32 17.595 4.226 -12.043 274 HH21 ARG 32 1HH2 ARG 32 14.451 3.748 -13.510 275 HH22 ARG 32 2HH2 ARG 32 16.177 3.515 -13.685 276 H GLU 33 H GLU 33 12.185 4.582 -5.847 277 HA GLU 33 HA GLU 33 11.544 1.712 -6.099 278 HB2 GLU 33 1HB GLU 33 10.526 3.101 -4.286 279 HB3 GLU 33 2HB GLU 33 9.733 4.089 -5.506 280 HG2 GLU 33 1HG GLU 33 8.424 2.193 -6.261 281 HG3 GLU 33 2HG GLU 33 9.288 1.116 -5.166 282 H SER 34 H SER 34 10.554 0.759 -7.760 283 HA SER 34 HA SER 34 10.260 2.171 -10.265 284 HB2 SER 34 1HB SER 34 10.822 -0.189 -10.237 285 HB3 SER 34 2HB SER 34 9.354 -0.577 -9.351 286 HG SER 34 HG SER 34 9.741 -0.264 -11.962 287 H GLU 35 H GLU 35 8.520 3.030 -11.240 288 HA GLU 35 HA GLU 35 6.034 3.287 -9.702 289 HB2 GLU 35 1HB GLU 35 6.805 4.264 -12.481 290 HB3 GLU 35 2HB GLU 35 5.287 4.637 -11.678 291 HG2 GLU 35 1HG GLU 35 6.609 5.710 -9.833 292 HG3 GLU 35 2HG GLU 35 8.060 5.463 -10.802 293 H SER 36 H SER 36 7.254 1.480 -12.466 294 HA SER 36 HA SER 36 4.671 0.493 -13.308 295 HB2 SER 36 1HB SER 36 7.489 -0.532 -13.778 296 HB3 SER 36 2HB SER 36 6.057 -1.202 -14.544 297 HG SER 36 HG SER 36 6.508 0.246 -15.945 298 H ALA 37 H ALA 37 7.158 -0.613 -11.053 299 HA ALA 37 HA ALA 37 5.208 -2.660 -10.112 300 HB1 ALA 37 1HB ALA 37 7.094 -4.188 -9.635 301 HB2 ALA 37 2HB ALA 37 6.971 -3.813 -11.370 302 HB3 ALA 37 3HB ALA 37 8.215 -3.022 -10.376 303 HA PRO 38 HA PRO 38 6.275 0.325 -6.793 304 HB2 PRO 38 1HB PRO 38 3.572 -0.810 -5.965 305 HB3 PRO 38 2HB PRO 38 4.171 0.848 -5.818 306 HG2 PRO 38 1HG PRO 38 2.492 0.296 -7.804 307 HG3 PRO 38 2HG PRO 38 3.905 1.301 -8.142 308 HD2 PRO 38 1HD PRO 38 3.473 -1.657 -8.709 309 HD3 PRO 38 2HD PRO 38 4.247 -0.397 -9.751 310 H GLY 39 H GLY 39 7.182 -0.186 -4.834 311 HA2 GLY 39 1HA GLY 39 7.471 -1.530 -2.861 312 HA3 GLY 39 2HA GLY 39 6.710 -2.883 -3.673 313 H ASP 40 H ASP 40 8.356 -2.263 -6.158 314 HA ASP 40 HA ASP 40 10.821 -3.652 -5.248 315 HB2 ASP 40 1HB ASP 40 9.474 -3.359 -7.950 316 HB3 ASP 40 2HB ASP 40 11.125 -3.942 -7.800 317 H PHE 41 H PHE 41 12.887 -3.051 -6.170 318 HA PHE 41 HA PHE 41 13.040 -0.072 -6.316 319 HB2 PHE 41 1HB PHE 41 14.879 -2.156 -5.109 320 HB3 PHE 41 2HB PHE 41 15.463 -0.547 -5.505 321 HD1 PHE 41 HD1 PHE 41 12.723 0.812 -4.822 322 HD2 PHE 41 HD2 PHE 41 15.279 -1.917 -2.754 323 HE1 PHE 41 HE1 PHE 41 11.871 1.655 -2.658 324 HE2 PHE 41 HE2 PHE 41 14.428 -1.079 -0.591 325 HZ PHE 41 HZ PHE 41 12.725 0.709 -0.543 326 H SER 42 H SER 42 14.510 0.921 -7.739 327 HA SER 42 HA SER 42 16.018 -0.950 -9.520 328 HB2 SER 42 1HB SER 42 14.887 1.806 -10.078 329 HB3 SER 42 2HB SER 42 16.105 1.054 -11.097 330 HG SER 42 HG SER 42 14.018 -0.572 -10.468 331 H LEU 43 H LEU 43 18.158 -0.405 -10.057 332 HA LEU 43 HA LEU 43 19.380 1.671 -8.288 333 HB2 LEU 43 1HB LEU 43 19.794 -0.851 -7.744 334 HB3 LEU 43 2HB LEU 43 20.847 -0.820 -9.162 335 HG LEU 43 HG LEU 43 21.295 1.275 -7.073 336 HD11 LEU 43 1HD1 LEU 43 22.632 -0.286 -5.732 337 HD12 LEU 43 2HD1 LEU 43 20.910 -0.736 -5.742 338 HD13 LEU 43 3HD1 LEU 43 22.073 -1.637 -6.746 339 HD21 LEU 43 1HD2 LEU 43 23.635 0.840 -7.738 340 HD22 LEU 43 2HD2 LEU 43 23.091 -0.496 -8.782 341 HD23 LEU 43 3HD2 LEU 43 22.617 1.178 -9.159 342 H SER 44 H SER 44 19.919 3.313 -9.550 343 HA SER 44 HA SER 44 21.031 2.748 -12.246 344 HB2 SER 44 1HB SER 44 19.930 5.215 -10.897 345 HB3 SER 44 2HB SER 44 20.899 5.338 -12.356 346 HG SER 44 HG SER 44 19.455 4.080 -13.420 347 H VAL 45 H VAL 45 23.138 2.570 -12.470 348 HA VAL 45 HA VAL 45 24.865 3.871 -10.411 349 HB VAL 45 HB VAL 45 24.927 1.386 -10.436 350 HG11 VAL 45 1HG1 VAL 45 25.878 0.198 -12.352 351 HG12 VAL 45 2HG1 VAL 45 24.356 1.020 -12.767 352 HG13 VAL 45 3HG1 VAL 45 25.912 1.717 -13.277 353 HG21 VAL 45 1HG2 VAL 45 27.384 1.158 -10.630 354 HG22 VAL 45 2HG2 VAL 45 27.457 2.711 -11.497 355 HG23 VAL 45 3HG2 VAL 45 26.941 2.666 -9.794 356 H LYS 46 H LYS 46 26.102 5.497 -11.049 357 HA LYS 46 HA LYS 46 26.763 5.810 -13.911 358 HB2 LYS 46 1HB LYS 46 26.092 7.796 -12.570 359 HB3 LYS 46 2HB LYS 46 27.474 7.546 -11.513 360 HG2 LYS 46 1HG LYS 46 28.923 7.780 -13.630 361 HG3 LYS 46 2HG LYS 46 27.462 8.409 -14.403 362 HD2 LYS 46 1HD LYS 46 27.353 9.963 -12.271 363 HD3 LYS 46 2HD LYS 46 29.076 9.578 -12.147 364 HE2 LYS 46 1HE LYS 46 29.322 10.303 -14.560 365 HE3 LYS 46 2HE LYS 46 27.650 10.866 -14.500 366 HZ1 LYS 46 1HZ LYS 46 29.189 12.630 -14.049 367 HZ2 LYS 46 2HZ LYS 46 28.270 12.340 -12.710 368 HZ3 LYS 46 3HZ LYS 46 29.833 11.816 -12.767 369 H PHE 47 H PHE 47 28.203 4.225 -14.447 370 HA PHE 47 HA PHE 47 30.920 4.839 -13.375 371 HB2 PHE 47 1HB PHE 47 29.906 2.485 -12.800 372 HB3 PHE 47 2HB PHE 47 30.229 2.114 -14.486 373 HD1 PHE 47 HD1 PHE 47 32.516 1.994 -15.331 374 HD2 PHE 47 HD2 PHE 47 31.702 2.788 -11.213 375 HE1 PHE 47 HE1 PHE 47 34.863 1.461 -14.767 376 HE2 PHE 47 HE2 PHE 47 34.049 2.258 -10.645 377 HZ PHE 47 HZ PHE 47 35.630 1.593 -12.423 378 H GLY 48 H GLY 48 32.126 5.775 -14.849 379 HA2 GLY 48 1HA GLY 48 33.320 5.781 -16.914 380 HA3 GLY 48 2HA GLY 48 32.104 4.734 -17.623 381 H ASN 49 H ASN 49 31.369 7.648 -15.757 382 HA ASN 49 HA ASN 49 30.208 9.555 -16.320 383 HB2 ASN 49 1HB ASN 49 32.393 9.697 -17.780 384 HB3 ASN 49 2HB ASN 49 31.296 9.397 -19.121 385 HD21 ASN 49 1HD2 ASN 49 30.825 12.825 -19.334 386 HD22 ASN 49 2HD2 ASN 49 31.381 11.362 -20.075 387 H ASP 50 H ASP 50 29.120 6.812 -16.942 388 HA ASP 50 HA ASP 50 26.653 7.950 -18.031 389 HB2 ASP 50 1HB ASP 50 28.105 7.003 -19.996 390 HB3 ASP 50 2HB ASP 50 27.656 5.426 -19.362 391 H VAL 51 H VAL 51 24.819 6.389 -17.884 392 HA VAL 51 HA VAL 51 25.217 5.058 -15.242 393 HB VAL 51 HB VAL 51 22.693 6.316 -16.399 394 HG11 VAL 51 1HG1 VAL 51 21.817 6.098 -14.124 395 HG12 VAL 51 2HG1 VAL 51 22.222 4.518 -14.838 396 HG13 VAL 51 3HG1 VAL 51 23.305 5.255 -13.634 397 HG21 VAL 51 1HG2 VAL 51 23.113 8.118 -14.755 398 HG22 VAL 51 2HG2 VAL 51 24.643 7.334 -14.292 399 HG23 VAL 51 3HG2 VAL 51 24.443 7.996 -15.931 400 H GLN 52 H GLN 52 24.953 2.927 -15.148 401 HA GLN 52 HA GLN 52 23.076 1.647 -17.072 402 HB2 GLN 52 1HB GLN 52 25.126 0.480 -15.151 403 HB3 GLN 52 2HB GLN 52 23.986 -0.498 -16.062 404 HG2 GLN 52 1HG GLN 52 24.936 0.555 -18.164 405 HG3 GLN 52 2HG GLN 52 26.227 1.216 -17.122 406 HE21 GLN 52 1HE2 GLN 52 26.124 -2.849 -16.815 407 HE22 GLN 52 2HE2 GLN 52 24.791 -1.859 -16.322 408 H HIS 53 H HIS 53 21.636 -0.051 -16.191 409 HA HIS 53 HA HIS 53 20.563 0.768 -13.513 410 HB2 HIS 53 1HB HIS 53 18.987 1.573 -15.107 411 HB3 HIS 53 2HB HIS 53 19.101 0.116 -16.084 412 HD2 HIS 53 HD2 HIS 53 16.807 1.574 -13.483 413 HE1 HIS 53 HE1 HIS 53 16.170 -2.638 -13.348 414 H PHE 54 H PHE 54 20.461 -0.758 -12.039 415 HA PHE 54 HA PHE 54 20.347 -3.593 -12.971 416 HB2 PHE 54 1HB PHE 54 21.019 -2.560 -10.189 417 HB3 PHE 54 2HB PHE 54 21.147 -4.219 -10.757 418 HD1 PHE 54 HD1 PHE 54 22.267 -3.236 -13.563 419 HD2 PHE 54 HD2 PHE 54 23.344 -2.558 -9.486 420 HE1 PHE 54 HE1 PHE 54 24.605 -2.822 -14.251 421 HE2 PHE 54 HE2 PHE 54 25.683 -2.142 -10.170 422 HZ PHE 54 HZ PHE 54 26.313 -2.276 -12.554 423 H LYS 55 H LYS 55 18.742 -4.954 -12.314 424 HA LYS 55 HA LYS 55 16.338 -3.729 -11.160 425 HB2 LYS 55 1HB LYS 55 16.911 -6.616 -11.946 426 HB3 LYS 55 2HB LYS 55 15.341 -5.977 -11.480 427 HG2 LYS 55 1HG LYS 55 15.358 -4.483 -13.445 428 HG3 LYS 55 2HG LYS 55 16.938 -5.126 -13.913 429 HD2 LYS 55 1HD LYS 55 15.953 -7.397 -14.089 430 HD3 LYS 55 2HD LYS 55 14.371 -6.735 -13.649 431 HE2 LYS 55 1HE LYS 55 14.428 -5.277 -15.648 432 HE3 LYS 55 2HE LYS 55 16.003 -5.941 -16.090 433 HZ1 LYS 55 1HZ LYS 55 14.232 -7.008 -17.279 434 HZ2 LYS 55 2HZ LYS 55 14.972 -8.100 -16.289 435 HZ3 LYS 55 3HZ LYS 55 13.500 -7.479 -15.877 436 H VAL 56 H VAL 56 15.951 -3.543 -9.089 437 HA VAL 56 HA VAL 56 17.230 -5.504 -7.236 438 HB VAL 56 HB VAL 56 16.087 -2.736 -6.661 439 HG11 VAL 56 1HG1 VAL 56 17.053 -3.023 -4.431 440 HG12 VAL 56 2HG1 VAL 56 15.798 -4.237 -4.775 441 HG13 VAL 56 3HG1 VAL 56 17.518 -4.689 -4.848 442 HG21 VAL 56 1HG2 VAL 56 18.452 -2.124 -6.272 443 HG22 VAL 56 2HG2 VAL 56 18.955 -3.763 -6.750 444 HG23 VAL 56 3HG2 VAL 56 18.198 -2.679 -7.943 445 H LEU 57 H LEU 57 15.926 -7.073 -6.495 446 HA LEU 57 HA LEU 57 13.004 -6.613 -6.934 447 HB2 LEU 57 1HB LEU 57 14.326 -9.283 -7.375 448 HB3 LEU 57 2HB LEU 57 12.808 -8.668 -8.035 449 HG LEU 57 HG LEU 57 14.505 -6.954 -9.237 450 HD11 LEU 57 1HD1 LEU 57 16.531 -8.162 -9.918 451 HD12 LEU 57 2HD1 LEU 57 16.484 -7.895 -8.159 452 HD13 LEU 57 3HD1 LEU 57 16.099 -9.499 -8.826 453 HD21 LEU 57 1HD2 LEU 57 14.385 -8.471 -11.185 454 HD22 LEU 57 2HD2 LEU 57 13.924 -9.813 -10.111 455 HD23 LEU 57 3HD2 LEU 57 12.833 -8.422 -10.315 456 H ARG 58 H ARG 58 11.568 -7.482 -5.522 457 HA ARG 58 HA ARG 58 12.558 -8.334 -2.931 458 HB2 ARG 58 1HB ARG 58 9.776 -8.235 -4.134 459 HB3 ARG 58 2HB ARG 58 10.096 -8.750 -2.485 460 HG2 ARG 58 1HG ARG 58 10.868 -6.587 -1.855 461 HG3 ARG 58 2HG ARG 58 10.917 -6.041 -3.548 462 HD2 ARG 58 1HD ARG 58 8.415 -6.913 -2.129 463 HD3 ARG 58 2HD ARG 58 8.976 -5.229 -2.236 464 HE ARG 58 HE ARG 58 8.938 -6.191 -4.843 465 HH11 ARG 58 1HH1 ARG 58 6.622 -5.730 -2.243 466 HH12 ARG 58 2HH1 ARG 58 5.274 -5.458 -3.323 467 HH21 ARG 58 1HH2 ARG 58 7.180 -5.837 -6.236 468 HH22 ARG 58 2HH2 ARG 58 5.589 -5.519 -5.584 469 H ASP 59 H ASP 59 12.824 -10.321 -2.116 470 HA ASP 59 HA ASP 59 12.085 -12.644 -3.799 471 HB2 ASP 59 1HB ASP 59 13.430 -13.966 -2.271 472 HB3 ASP 59 2HB ASP 59 14.353 -12.554 -2.765 473 H GLY 60 H GLY 60 11.654 -14.586 -1.930 474 HA2 GLY 60 1HA GLY 60 8.822 -14.119 -1.491 475 HA3 GLY 60 2HA GLY 60 9.705 -15.591 -1.132 476 H ALA 61 H ALA 61 11.564 -13.359 0.303 477 HA ALA 61 HA ALA 61 10.270 -13.777 2.924 478 HB1 ALA 61 1HB ALA 61 12.400 -12.922 3.847 479 HB2 ALA 61 2HB ALA 61 12.665 -14.275 2.722 480 HB3 ALA 61 3HB ALA 61 12.980 -12.605 2.195 481 H GLY 62 H GLY 62 10.120 -11.502 0.514 482 HA2 GLY 62 1HA GLY 62 9.321 -9.291 0.537 483 HA3 GLY 62 2HA GLY 62 9.294 -9.322 2.291 484 H LYS 63 H LYS 63 12.216 -10.435 0.840 485 HA LYS 63 HA LYS 63 13.541 -7.902 1.697 486 HB2 LYS 63 1HB LYS 63 14.453 -10.788 1.647 487 HB3 LYS 63 2HB LYS 63 15.622 -9.475 1.684 488 HG2 LYS 63 1HG LYS 63 14.392 -8.629 3.766 489 HG3 LYS 63 2HG LYS 63 13.556 -10.188 3.770 490 HD2 LYS 63 1HD LYS 63 16.578 -10.012 3.646 491 HD3 LYS 63 2HD LYS 63 15.706 -9.968 5.186 492 HE2 LYS 63 1HE LYS 63 14.602 -12.135 4.561 493 HE3 LYS 63 2HE LYS 63 15.613 -12.190 3.113 494 HZ1 LYS 63 1HZ LYS 63 16.552 -13.469 4.894 495 HZ2 LYS 63 2HZ LYS 63 17.547 -12.204 4.535 496 HZ3 LYS 63 3HZ LYS 63 16.603 -12.153 5.886 497 H TYR 64 H TYR 64 15.344 -7.111 0.496 498 HA TYR 64 HA TYR 64 14.690 -7.335 -2.382 499 HB2 TYR 64 1HB TYR 64 16.291 -5.287 -0.799 500 HB3 TYR 64 2HB TYR 64 16.102 -5.241 -2.547 501 HD1 TYR 64 HD1 TYR 64 14.438 -4.777 0.688 502 HD2 TYR 64 HD2 TYR 64 13.972 -4.673 -3.576 503 HE1 TYR 64 HE1 TYR 64 12.322 -3.527 0.949 504 HE2 TYR 64 HE2 TYR 64 11.857 -3.422 -3.315 505 HH TYR 64 HH TYR 64 10.333 -2.667 -1.873 506 H PHE 65 H PHE 65 16.067 -7.940 -3.959 507 HA PHE 65 HA PHE 65 18.947 -8.133 -3.291 508 HB2 PHE 65 1HB PHE 65 19.195 -10.343 -4.228 509 HB3 PHE 65 2HB PHE 65 17.963 -10.420 -2.978 510 HD1 PHE 65 HD1 PHE 65 18.684 -10.793 -6.513 511 HD2 PHE 65 HD2 PHE 65 15.570 -10.605 -3.595 512 HE1 PHE 65 HE1 PHE 65 17.109 -11.800 -8.132 513 HE2 PHE 65 HE2 PHE 65 13.993 -11.614 -5.209 514 HZ PHE 65 HZ PHE 65 14.764 -12.210 -7.480 515 H LEU 66 H LEU 66 20.186 -8.752 -5.407 516 HA LEU 66 HA LEU 66 19.037 -7.039 -7.565 517 HB2 LEU 66 1HB LEU 66 20.672 -5.834 -6.029 518 HB3 LEU 66 2HB LEU 66 21.921 -6.931 -6.627 519 HG LEU 66 HG LEU 66 20.335 -5.324 -8.611 520 HD11 LEU 66 1HD1 LEU 66 21.915 -3.464 -8.348 521 HD12 LEU 66 2HD1 LEU 66 20.944 -3.715 -6.878 522 HD13 LEU 66 3HD1 LEU 66 22.633 -4.273 -6.937 523 HD21 LEU 66 1HD2 LEU 66 22.497 -5.424 -9.803 524 HD22 LEU 66 2HD2 LEU 66 23.226 -6.262 -8.412 525 HD23 LEU 66 3HD2 LEU 66 21.939 -7.053 -9.352 526 H TRP 67 H TRP 67 19.198 -7.841 -9.549 527 HA TRP 67 HA TRP 67 19.362 -9.614 -11.036 528 HB2 TRP 67 1HB TRP 67 22.256 -9.114 -10.255 529 HB3 TRP 67 2HB TRP 67 21.794 -10.186 -11.568 530 HD1 TRP 67 HD1 TRP 67 23.125 -6.941 -11.302 531 HE1 TRP 67 HE1 TRP 67 22.364 -5.333 -13.180 532 HE3 TRP 67 HE3 TRP 67 19.055 -9.568 -12.985 533 HZ2 TRP 67 HZ2 TRP 67 20.306 -5.222 -15.109 534 HZ3 TRP 67 HZ3 TRP 67 17.730 -8.656 -14.849 535 HH2 TRP 67 HH2 TRP 67 18.343 -6.519 -15.902 536 H VAL 68 H VAL 68 22.237 -10.984 -9.797 537 HA VAL 68 HA VAL 68 20.627 -13.318 -8.845 538 HB VAL 68 HB VAL 68 22.360 -14.776 -9.873 539 HG11 VAL 68 1HG1 VAL 68 21.704 -14.442 -12.207 540 HG12 VAL 68 2HG1 VAL 68 20.321 -14.292 -11.097 541 HG13 VAL 68 3HG1 VAL 68 21.064 -12.833 -11.795 542 HG21 VAL 68 1HG2 VAL 68 23.975 -13.779 -11.460 543 HG22 VAL 68 2HG2 VAL 68 23.404 -12.152 -11.018 544 HG23 VAL 68 3HG2 VAL 68 24.232 -13.165 -9.810 545 H VAL 69 H VAL 69 22.213 -11.006 -7.534 546 HA VAL 69 HA VAL 69 23.894 -12.775 -5.805 547 HB VAL 69 HB VAL 69 25.317 -11.178 -6.952 548 HG11 VAL 69 1HG1 VAL 69 24.960 -8.761 -6.811 549 HG12 VAL 69 2HG1 VAL 69 23.616 -9.586 -7.636 550 HG13 VAL 69 3HG1 VAL 69 23.426 -9.039 -5.952 551 HG21 VAL 69 1HG2 VAL 69 26.225 -9.925 -5.023 552 HG22 VAL 69 2HG2 VAL 69 24.730 -10.247 -4.112 553 HG23 VAL 69 3HG2 VAL 69 25.803 -11.593 -4.566 554 H LYS 70 H LYS 70 23.546 -12.774 -3.655 555 HA LYS 70 HA LYS 70 21.448 -10.922 -2.624 556 HB2 LYS 70 1HB LYS 70 20.835 -13.484 -3.306 557 HB3 LYS 70 2HB LYS 70 21.380 -13.742 -1.655 558 HG2 LYS 70 1HG LYS 70 19.402 -11.549 -2.178 559 HG3 LYS 70 2HG LYS 70 18.853 -13.231 -2.207 560 HD2 LYS 70 1HD LYS 70 19.324 -13.573 0.045 561 HD3 LYS 70 2HD LYS 70 20.558 -12.305 0.089 562 HE2 LYS 70 1HE LYS 70 18.716 -11.425 1.293 563 HE3 LYS 70 2HE LYS 70 18.660 -10.630 -0.281 564 HZ1 LYS 70 1HZ LYS 70 16.505 -11.393 0.398 565 HZ2 LYS 70 2HZ LYS 70 16.983 -12.209 -0.954 566 HZ3 LYS 70 3HZ LYS 70 17.035 -12.950 0.519 567 H PHE 71 H PHE 71 22.097 -9.898 -0.862 568 HA PHE 71 HA PHE 71 23.558 -11.555 1.153 569 HB2 PHE 71 1HB PHE 71 23.813 -8.584 0.569 570 HB3 PHE 71 2HB PHE 71 24.373 -9.308 2.068 571 HD1 PHE 71 HD1 PHE 71 24.803 -9.380 -1.617 572 HD2 PHE 71 HD2 PHE 71 26.444 -10.416 2.188 573 HE1 PHE 71 HE1 PHE 71 26.947 -9.961 -2.702 574 HE2 PHE 71 HE2 PHE 71 28.591 -10.996 1.107 575 HZ PHE 71 HZ PHE 71 28.841 -10.769 -1.340 576 H ASN 72 H ASN 72 23.308 -10.027 3.360 577 HA ASN 72 HA ASN 72 20.709 -10.841 4.200 578 HB2 ASN 72 1HB ASN 72 22.808 -9.065 5.469 579 HB3 ASN 72 2HB ASN 72 21.288 -9.445 6.269 580 HD21 ASN 72 1HD2 ASN 72 24.331 -12.084 6.222 581 HD22 ASN 72 2HD2 ASN 72 24.436 -10.508 5.512 582 H SER 73 H SER 73 21.847 -7.894 2.778 583 HA SER 73 HA SER 73 19.078 -6.976 2.579 584 HB2 SER 73 1HB SER 73 19.405 -4.829 3.628 585 HB3 SER 73 2HB SER 73 19.803 -6.086 4.789 586 HG SER 73 HG SER 73 21.752 -5.448 4.822 587 H LEU 74 H LEU 74 18.804 -5.224 1.080 588 HA LEU 74 HA LEU 74 20.521 -5.033 -1.127 589 HB2 LEU 74 1HB LEU 74 18.259 -4.138 -1.153 590 HB3 LEU 74 2HB LEU 74 18.674 -2.944 0.081 591 HG LEU 74 HG LEU 74 20.224 -1.852 -1.535 592 HD11 LEU 74 1HD1 LEU 74 20.119 -2.508 -3.898 593 HD12 LEU 74 2HD1 LEU 74 20.755 -3.820 -2.880 594 HD13 LEU 74 3HD1 LEU 74 19.077 -3.884 -3.470 595 HD21 LEU 74 1HD2 LEU 74 18.434 -0.905 -2.953 596 HD22 LEU 74 2HD2 LEU 74 17.367 -2.260 -2.511 597 HD23 LEU 74 3HD2 LEU 74 17.885 -1.094 -1.270 598 H ASN 75 H ASN 75 20.522 -3.137 1.884 599 HA ASN 75 HA ASN 75 22.535 -1.279 1.121 600 HB2 ASN 75 1HB ASN 75 21.678 -2.360 3.818 601 HB3 ASN 75 2HB ASN 75 22.921 -1.129 3.646 602 HD21 ASN 75 1HD2 ASN 75 19.604 0.463 4.214 603 HD22 ASN 75 2HD2 ASN 75 20.541 -0.736 5.042 604 H GLU 76 H GLU 76 22.742 -4.577 2.326 605 HA GLU 76 HA GLU 76 25.583 -4.408 2.914 606 HB2 GLU 76 1HB GLU 76 23.997 -6.012 4.031 607 HB3 GLU 76 2HB GLU 76 23.844 -6.875 2.507 608 HG2 GLU 76 1HG GLU 76 26.070 -7.631 2.571 609 HG3 GLU 76 2HG GLU 76 26.534 -6.448 3.792 610 H LEU 77 H LEU 77 23.610 -5.600 0.208 611 HA LEU 77 HA LEU 77 25.840 -6.961 -1.040 612 HB2 LEU 77 1HB LEU 77 24.320 -7.590 -2.713 613 HB3 LEU 77 2HB LEU 77 23.333 -7.495 -1.252 614 HG LEU 77 HG LEU 77 22.805 -5.057 -2.112 615 HD11 LEU 77 1HD1 LEU 77 22.807 -4.923 -4.564 616 HD12 LEU 77 2HD1 LEU 77 24.455 -5.080 -3.912 617 HD13 LEU 77 3HD1 LEU 77 23.651 -6.486 -4.649 618 HD21 LEU 77 1HD2 LEU 77 20.886 -5.996 -3.356 619 HD22 LEU 77 2HD2 LEU 77 21.703 -7.577 -3.425 620 HD23 LEU 77 3HD2 LEU 77 21.186 -6.910 -1.858 621 H VAL 78 H VAL 78 24.422 -3.763 -1.262 622 HA VAL 78 HA VAL 78 25.967 -3.005 -3.613 623 HB VAL 78 HB VAL 78 25.207 -0.723 -3.100 624 HG11 VAL 78 1HG1 VAL 78 22.791 -1.092 -3.219 625 HG12 VAL 78 2HG1 VAL 78 23.687 -2.200 -4.284 626 HG13 VAL 78 3HG1 VAL 78 23.027 -2.788 -2.740 627 HG21 VAL 78 1HG2 VAL 78 23.812 -0.303 -1.100 628 HG22 VAL 78 2HG2 VAL 78 24.088 -1.975 -0.559 629 HG23 VAL 78 3HG2 VAL 78 25.449 -0.832 -0.643 630 H ASP 79 H ASP 79 26.394 -2.923 -0.113 631 HA ASP 79 HA ASP 79 28.873 -1.455 -0.154 632 HB2 ASP 79 1HB ASP 79 27.417 -1.949 1.885 633 HB3 ASP 79 2HB ASP 79 28.043 -3.592 1.845 634 H TYR 80 H TYR 80 28.073 -4.935 -0.318 635 HA TYR 80 HA TYR 80 30.684 -5.919 -0.758 636 HB2 TYR 80 1HB TYR 80 28.848 -7.462 -0.513 637 HB3 TYR 80 2HB TYR 80 27.994 -6.771 -1.885 638 HD1 TYR 80 HD1 TYR 80 31.143 -8.563 -0.978 639 HD2 TYR 80 HD2 TYR 80 28.248 -7.669 -4.017 640 HE1 TYR 80 HE1 TYR 80 32.199 -10.222 -2.474 641 HE2 TYR 80 HE2 TYR 80 29.305 -9.328 -5.512 642 HH TYR 80 HH TYR 80 32.259 -11.037 -4.568 643 H HIS 81 H HIS 81 28.351 -4.566 -3.098 644 HA HIS 81 HA HIS 81 30.176 -4.822 -5.341 645 HB2 HIS 81 1HB HIS 81 27.579 -3.326 -4.906 646 HB3 HIS 81 2HB HIS 81 28.505 -3.159 -6.390 647 HD2 HIS 81 HD2 HIS 81 29.163 -6.644 -6.107 648 HE1 HIS 81 HE1 HIS 81 25.072 -6.648 -7.300 649 H ARG 82 H ARG 82 30.111 -2.746 -2.686 650 HA ARG 82 HA ARG 82 31.457 -0.536 -4.076 651 HB2 ARG 82 1HB ARG 82 30.030 -0.129 -2.085 652 HB3 ARG 82 2HB ARG 82 31.130 -1.089 -1.107 653 HG2 ARG 82 1HG ARG 82 32.911 0.516 -1.425 654 HG3 ARG 82 2HG ARG 82 31.907 1.451 -2.560 655 HD2 ARG 82 1HD ARG 82 31.873 2.514 -0.433 656 HD3 ARG 82 2HD ARG 82 30.276 1.795 -0.739 657 HE ARG 82 HE ARG 82 30.598 0.334 1.013 658 HH11 ARG 82 1HH1 ARG 82 33.613 1.982 0.280 659 HH12 ARG 82 2HH1 ARG 82 34.420 1.416 1.724 660 HH21 ARG 82 1HH2 ARG 82 31.657 -0.395 2.885 661 HH22 ARG 82 2HH2 ARG 82 33.313 0.071 3.200 662 H SER 83 H SER 83 32.319 -3.126 -1.770 663 HA SER 83 HA SER 83 35.162 -2.458 -1.944 664 HB2 SER 83 1HB SER 83 35.489 -4.265 -0.402 665 HB3 SER 83 2HB SER 83 34.070 -3.370 0.118 666 HG SER 83 HG SER 83 33.287 -5.187 -1.602 667 H THR 84 H THR 84 32.926 -4.406 -3.686 668 HA THR 84 HA THR 84 35.192 -5.620 -5.186 669 HB THR 84 HB THR 84 32.727 -7.138 -4.229 670 HG1 THR 84 HG1 THR 84 35.362 -6.910 -3.340 671 HG21 THR 84 1HG2 THR 84 33.792 -9.078 -5.314 672 HG22 THR 84 2HG2 THR 84 33.437 -7.800 -6.501 673 HG23 THR 84 3HG2 THR 84 35.099 -8.030 -5.912 674 H SER 85 H SER 85 34.878 -5.927 -7.351 675 HA SER 85 HA SER 85 33.093 -4.145 -8.651 676 HB2 SER 85 1HB SER 85 33.818 -5.190 -10.708 677 HB3 SER 85 2HB SER 85 35.196 -5.025 -9.632 678 HG SER 85 HG SER 85 34.592 -7.121 -10.785 679 H VAL 86 H VAL 86 31.295 -4.525 -10.007 680 HA VAL 86 HA VAL 86 29.362 -6.244 -8.729 681 HB VAL 86 HB VAL 86 29.237 -4.619 -11.304 682 HG11 VAL 86 1HG1 VAL 86 26.808 -4.886 -11.166 683 HG12 VAL 86 2HG1 VAL 86 27.637 -6.443 -11.398 684 HG13 VAL 86 3HG1 VAL 86 27.009 -5.999 -9.793 685 HG21 VAL 86 1HG2 VAL 86 27.919 -3.059 -9.906 686 HG22 VAL 86 2HG2 VAL 86 28.161 -4.119 -8.498 687 HG23 VAL 86 3HG2 VAL 86 29.552 -3.294 -9.241 688 H SER 87 H SER 87 31.254 -6.413 -11.723 689 HA SER 87 HA SER 87 30.345 -9.180 -12.167 690 HB2 SER 87 1HB SER 87 28.571 -8.033 -13.281 691 HB3 SER 87 2HB SER 87 29.674 -6.879 -14.015 692 HG SER 87 HG SER 87 28.828 -8.893 -15.160 693 H ARG 88 H ARG 88 31.604 -10.342 -13.649 694 HA ARG 88 HA ARG 88 34.323 -9.344 -13.951 695 HB2 ARG 88 1HB ARG 88 32.960 -11.881 -14.908 696 HB3 ARG 88 2HB ARG 88 34.665 -11.536 -15.155 697 HG2 ARG 88 1HG ARG 88 35.022 -11.473 -12.729 698 HG3 ARG 88 2HG ARG 88 33.292 -11.799 -12.467 699 HD2 ARG 88 1HD ARG 88 33.513 -13.912 -13.641 700 HD3 ARG 88 2HD ARG 88 35.241 -13.585 -13.906 701 HE ARG 88 HE ARG 88 34.758 -13.375 -11.152 702 HH11 ARG 88 1HH1 ARG 88 34.650 -15.826 -13.666 703 HH12 ARG 88 2HH1 ARG 88 35.023 -17.140 -12.574 704 HH21 ARG 88 1HH2 ARG 88 35.242 -15.090 -9.744 705 HH22 ARG 88 2HH2 ARG 88 35.358 -16.725 -10.355 706 H ASN 89 H ASN 89 31.452 -9.139 -15.777 707 HA ASN 89 HA ASN 89 33.010 -8.667 -18.284 708 HB2 ASN 89 1HB ASN 89 30.103 -9.459 -17.905 709 HB3 ASN 89 2HB ASN 89 30.834 -9.055 -19.453 710 HD21 ASN 89 1HD2 ASN 89 31.179 -12.740 -17.920 711 HD22 ASN 89 2HD2 ASN 89 30.191 -11.498 -17.229 712 H GLN 90 H GLN 90 30.677 -7.340 -16.029 713 HA GLN 90 HA GLN 90 30.697 -4.810 -17.617 714 HB2 GLN 90 1HB GLN 90 28.700 -5.684 -15.491 715 HB3 GLN 90 2HB GLN 90 28.615 -4.221 -16.463 716 HG2 GLN 90 1HG GLN 90 28.362 -5.581 -18.496 717 HG3 GLN 90 2HG GLN 90 28.421 -7.058 -17.494 718 HE21 GLN 90 1HE2 GLN 90 24.944 -6.996 -17.376 719 HE22 GLN 90 2HE2 GLN 90 26.391 -7.835 -17.829 720 H GLN 91 H GLN 91 32.279 -3.544 -16.901 721 HA GLN 91 HA GLN 91 33.352 -3.909 -14.232 722 HB2 GLN 91 1HB GLN 91 34.000 -1.844 -16.375 723 HB3 GLN 91 2HB GLN 91 34.924 -2.086 -14.898 724 HG2 GLN 91 1HG GLN 91 34.514 -4.174 -17.048 725 HG3 GLN 91 2HG GLN 91 35.960 -3.145 -16.852 726 HE21 GLN 91 1HE2 GLN 91 35.714 -6.624 -14.927 727 HE22 GLN 91 2HE2 GLN 91 34.729 -6.157 -16.273 728 H ILE 92 H ILE 92 31.315 -3.414 -13.105 729 HA ILE 92 HA ILE 92 31.001 -0.463 -12.753 730 HB ILE 92 HB ILE 92 28.977 -2.618 -12.017 731 HG12 ILE 92 1HG1 ILE 92 29.483 -2.478 -14.486 732 HG13 ILE 92 2HG1 ILE 92 27.811 -2.214 -14.016 733 HG21 ILE 92 1HG2 ILE 92 27.432 -0.705 -11.890 734 HG22 ILE 92 2HG2 ILE 92 28.792 -0.505 -10.761 735 HG23 ILE 92 3HG2 ILE 92 28.766 0.403 -12.289 736 HD11 ILE 92 1HD1 ILE 92 28.498 -0.638 -15.734 737 HD12 ILE 92 2HD1 ILE 92 28.124 0.215 -14.217 738 HD13 ILE 92 3HD1 ILE 92 29.817 -0.052 -14.696 739 H PHE 93 H PHE 93 31.259 0.437 -10.749 740 HA PHE 93 HA PHE 93 31.104 -1.464 -8.446 741 HB2 PHE 93 1HB PHE 93 32.633 1.156 -8.674 742 HB3 PHE 93 2HB PHE 93 32.369 0.310 -7.157 743 HD1 PHE 93 HD1 PHE 93 33.993 0.085 -10.471 744 HD2 PHE 93 HD2 PHE 93 33.664 -1.584 -6.552 745 HE1 PHE 93 HE1 PHE 93 36.008 -1.287 -10.887 746 HE2 PHE 93 HE2 PHE 93 35.679 -2.955 -6.963 747 HZ PHE 93 HZ PHE 93 36.851 -2.807 -9.133 748 H LEU 94 H LEU 94 29.855 -0.879 -6.670 749 HA LEU 94 HA LEU 94 28.124 1.521 -7.067 750 HB2 LEU 94 1HB LEU 94 27.715 -0.878 -5.246 751 HB3 LEU 94 2HB LEU 94 26.598 0.476 -5.442 752 HG LEU 94 HG LEU 94 27.268 -1.691 -7.451 753 HD11 LEU 94 1HD1 LEU 94 24.846 -2.075 -7.334 754 HD12 LEU 94 2HD1 LEU 94 25.615 -2.236 -5.737 755 HD13 LEU 94 3HD1 LEU 94 24.696 -0.766 -6.139 756 HD21 LEU 94 1HD2 LEU 94 25.795 -0.469 -9.014 757 HD22 LEU 94 2HD2 LEU 94 25.657 0.864 -7.842 758 HD23 LEU 94 3HD2 LEU 94 27.228 0.500 -8.595 759 H ARG 95 H ARG 95 29.053 3.230 -6.136 760 HA ARG 95 HA ARG 95 30.406 2.793 -3.505 761 HB2 ARG 95 1HB ARG 95 31.071 4.725 -5.750 762 HB3 ARG 95 2HB ARG 95 31.798 4.797 -4.152 763 HG2 ARG 95 1HG ARG 95 32.815 2.619 -4.455 764 HG3 ARG 95 2HG ARG 95 31.986 2.420 -6.018 765 HD2 ARG 95 1HD ARG 95 33.177 4.325 -6.908 766 HD3 ARG 95 2HD ARG 95 33.982 4.568 -5.340 767 HE ARG 95 HE ARG 95 34.794 2.129 -5.776 768 HH11 ARG 95 1HH1 ARG 95 34.364 4.650 -8.185 769 HH12 ARG 95 2HH1 ARG 95 35.610 4.028 -9.242 770 HH21 ARG 95 1HH2 ARG 95 36.412 1.331 -7.157 771 HH22 ARG 95 2HH2 ARG 95 36.770 2.149 -8.662 772 H ASP 96 H ASP 96 30.312 4.469 -1.954 773 HA ASP 96 HA ASP 96 27.739 5.612 -1.630 774 HB2 ASP 96 1HB ASP 96 30.396 6.329 -0.330 775 HB3 ASP 96 2HB ASP 96 28.845 6.974 0.191
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