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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 | cing | stage | position | program | type |
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14003 |
1we7 ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -16.192 35.907 8.926 2 HA2 GLY 1 1HA GLY 1 -16.969 33.275 7.826 3 HA3 GLY 1 2HA GLY 1 -15.437 34.050 7.449 4 H SER 2 H SER 2 -15.789 31.440 8.567 5 HA SER 2 HA SER 2 -15.361 31.436 11.364 6 HB2 SER 2 1HB SER 2 -14.632 29.095 11.034 7 HB3 SER 2 2HB SER 2 -16.138 29.439 10.184 8 HG SER 2 HG SER 2 -13.533 29.202 9.104 9 H SER 3 H SER 3 -13.126 31.211 8.611 10 HA SER 3 HA SER 3 -10.865 31.451 8.456 11 HB2 SER 3 1HB SER 3 -11.437 33.420 10.681 12 HB3 SER 3 2HB SER 3 -9.899 33.314 9.823 13 HG SER 3 HG SER 3 -12.367 34.271 8.956 14 H GLY 4 H GLY 4 -11.608 29.215 9.908 15 HA2 GLY 4 1HA GLY 4 -9.255 28.433 11.131 16 HA3 GLY 4 2HA GLY 4 -10.281 29.041 12.422 17 H SER 5 H SER 5 -9.855 26.547 10.019 18 HA SER 5 HA SER 5 -12.256 25.150 10.381 19 HB2 SER 5 1HB SER 5 -11.036 23.202 9.459 20 HB3 SER 5 2HB SER 5 -10.744 24.668 8.523 21 HG SER 5 HG SER 5 -8.722 24.201 8.847 22 H SER 6 H SER 6 -12.774 23.326 11.630 23 HA SER 6 HA SER 6 -11.111 22.988 14.040 24 HB2 SER 6 1HB SER 6 -14.123 22.802 13.794 25 HB3 SER 6 2HB SER 6 -13.202 22.476 15.262 26 HG SER 6 HG SER 6 -12.598 24.610 15.345 27 H GLY 7 H GLY 7 -10.028 21.133 13.767 28 HA2 GLY 7 1HA GLY 7 -9.728 18.844 13.714 29 HA3 GLY 7 2HA GLY 7 -11.476 18.662 13.680 30 H THR 8 H THR 8 -8.820 17.894 12.027 31 HA THR 8 HA THR 8 -9.559 18.584 9.352 32 HB THR 8 HB THR 8 -7.678 16.372 10.182 33 HG1 THR 8 1HG THR 8 -6.892 18.189 11.174 34 HG21 THR 8 1HG2 THR 8 -8.026 18.011 7.679 35 HG22 THR 8 2HG2 THR 8 -8.121 16.259 7.856 36 HG23 THR 8 3HG2 THR 8 -6.568 17.079 8.014 37 H GLU 9 H GLU 9 -9.611 15.530 11.190 38 HA GLU 9 HA GLU 9 -11.128 14.214 9.110 39 HB2 GLU 9 1HB GLU 9 -10.166 13.318 11.826 40 HB3 GLU 9 2HB GLU 9 -11.130 12.300 10.767 41 HG2 GLU 9 1HG GLU 9 -8.851 11.696 10.487 42 HG3 GLU 9 2HG GLU 9 -9.366 12.545 9.031 43 H ASP 10 H ASP 10 -12.412 16.488 10.223 44 HA ASP 10 HA ASP 10 -14.606 15.300 11.778 45 HB2 ASP 10 1HB ASP 10 -13.889 17.146 12.993 46 HB3 ASP 10 2HB ASP 10 -13.522 18.082 11.546 47 H SER 11 H SER 11 -14.013 17.532 9.071 48 HA SER 11 HA SER 11 -16.719 16.930 8.081 49 HB2 SER 11 1HB SER 11 -16.020 19.352 8.586 50 HB3 SER 11 2HB SER 11 -15.003 19.228 7.151 51 HG SER 11 HG SER 11 -16.716 19.373 5.937 52 H LEU 12 H LEU 12 -14.881 14.982 7.624 53 HA LEU 12 HA LEU 12 -13.380 15.205 5.264 54 HB2 LEU 12 1HB LEU 12 -14.653 12.788 6.537 55 HB3 LEU 12 2HB LEU 12 -13.480 12.724 5.222 56 HG LEU 12 HG LEU 12 -12.797 14.042 7.828 57 HD11 LEU 12 1HD1 LEU 12 -13.581 11.391 7.663 58 HD12 LEU 12 2HD1 LEU 12 -12.612 12.125 8.939 59 HD13 LEU 12 3HD1 LEU 12 -11.821 11.329 7.579 60 HD21 LEU 12 1HD2 LEU 12 -10.634 13.930 7.108 61 HD22 LEU 12 2HD2 LEU 12 -11.456 14.072 5.553 62 HD23 LEU 12 3HD2 LEU 12 -10.916 12.493 6.125 63 H MET 13 H MET 13 -13.792 14.419 3.150 64 HA MET 13 HA MET 13 -16.610 14.652 2.385 65 HB2 MET 13 1HB MET 13 -14.034 15.274 1.092 66 HB3 MET 13 2HB MET 13 -15.251 14.581 0.029 67 HG2 MET 13 1HG MET 13 -16.790 16.396 1.128 68 HG3 MET 13 2HG MET 13 -15.249 17.179 1.474 69 HE1 MET 13 1HE MET 13 -13.825 15.684 -1.071 70 HE2 MET 13 2HE MET 13 -13.912 16.843 -2.398 71 HE3 MET 13 3HE MET 13 -13.340 17.360 -0.811 72 HA PRO 14 HA PRO 14 -17.090 10.467 1.160 73 HB2 PRO 14 1HB PRO 14 -18.358 10.652 -1.233 74 HB3 PRO 14 2HB PRO 14 -19.147 11.029 0.303 75 HG2 PRO 14 1HG PRO 14 -17.945 12.885 -1.715 76 HG3 PRO 14 2HG PRO 14 -19.469 13.038 -0.822 77 HD2 PRO 14 1HD PRO 14 -17.220 14.364 -0.104 78 HD3 PRO 14 2HD PRO 14 -18.422 13.812 1.080 79 H GLU 15 H GLU 15 -16.992 9.082 -1.077 80 HA GLU 15 HA GLU 15 -14.209 9.248 -1.856 81 HB2 GLU 15 1HB GLU 15 -15.503 7.103 -1.281 82 HB3 GLU 15 2HB GLU 15 -16.212 7.250 -2.883 83 HG2 GLU 15 1HG GLU 15 -14.044 7.086 -3.911 84 HG3 GLU 15 2HG GLU 15 -13.259 7.090 -2.333 85 H GLU 16 H GLU 16 -17.384 9.584 -3.357 86 HA GLU 16 HA GLU 16 -16.508 9.789 -6.025 87 HB2 GLU 16 1HB GLU 16 -18.919 9.557 -4.957 88 HB3 GLU 16 2HB GLU 16 -18.905 11.309 -5.100 89 HG2 GLU 16 1HG GLU 16 -18.220 9.583 -7.443 90 HG3 GLU 16 2HG GLU 16 -19.900 9.899 -7.010 91 H GLU 17 H GLU 17 -17.561 12.398 -3.826 92 HA GLU 17 HA GLU 17 -16.769 14.526 -5.442 93 HB2 GLU 17 1HB GLU 17 -16.804 14.479 -2.420 94 HB3 GLU 17 2HB GLU 17 -16.898 15.904 -3.446 95 HG2 GLU 17 1HG GLU 17 -18.950 13.705 -3.420 96 HG3 GLU 17 2HG GLU 17 -19.068 15.188 -2.475 97 H PHE 18 H PHE 18 -15.014 13.042 -2.718 98 HA PHE 18 HA PHE 18 -12.757 14.481 -2.561 99 HB2 PHE 18 1HB PHE 18 -12.864 12.603 -1.161 100 HB3 PHE 18 2HB PHE 18 -13.126 11.499 -2.508 101 HD1 PHE 18 2HD PHE 18 -10.577 13.760 -1.025 102 HD2 PHE 18 1HD PHE 18 -11.347 10.321 -3.413 103 HE1 PHE 18 2HE PHE 18 -8.168 13.261 -1.077 104 HE2 PHE 18 1HE PHE 18 -8.940 9.816 -3.468 105 HZ PHE 18 HZ PHE 18 -7.347 11.287 -2.300 106 H LEU 19 H LEU 19 -13.024 11.743 -4.835 107 HA LEU 19 HA LEU 19 -10.687 12.023 -6.206 108 HB2 LEU 19 1HB LEU 19 -13.407 11.326 -7.296 109 HB3 LEU 19 2HB LEU 19 -11.904 11.117 -8.193 110 HG LEU 19 HG LEU 19 -12.692 9.688 -5.655 111 HD11 LEU 19 1HD1 LEU 19 -12.138 7.873 -7.681 112 HD12 LEU 19 2HD1 LEU 19 -13.090 9.135 -8.462 113 HD13 LEU 19 3HD1 LEU 19 -13.727 8.300 -7.045 114 HD21 LEU 19 1HD2 LEU 19 -10.547 8.356 -6.580 115 HD22 LEU 19 2HD2 LEU 19 -10.455 9.632 -5.365 116 HD23 LEU 19 3HD2 LEU 19 -10.117 9.999 -7.057 117 H ARG 20 H ARG 20 -13.601 13.955 -6.560 118 HA ARG 20 HA ARG 20 -12.891 15.318 -8.916 119 HB2 ARG 20 1HB ARG 20 -14.551 16.432 -6.652 120 HB3 ARG 20 2HB ARG 20 -14.613 16.892 -8.348 121 HG2 ARG 20 1HG ARG 20 -15.168 14.060 -7.654 122 HG3 ARG 20 2HG ARG 20 -16.395 15.272 -7.277 123 HD2 ARG 20 1HD ARG 20 -15.157 15.290 -9.984 124 HD3 ARG 20 2HD ARG 20 -16.342 14.040 -9.610 125 HE ARG 20 HE ARG 20 -17.252 16.659 -8.913 126 HH11 ARG 20 2HH1 ARG 20 -16.891 14.402 -11.538 127 HH12 ARG 20 1HH1 ARG 20 -18.182 15.081 -12.472 128 HH21 ARG 20 2HH2 ARG 20 -18.955 17.562 -10.133 129 HH22 ARG 20 1HH2 ARG 20 -19.355 16.879 -11.672 130 H ARG 21 H ARG 21 -12.117 15.882 -5.536 131 HA ARG 21 HA ARG 21 -10.841 18.419 -6.085 132 HB2 ARG 21 1HB ARG 21 -11.130 16.736 -3.602 133 HB3 ARG 21 2HB ARG 21 -10.150 18.196 -3.637 134 HG2 ARG 21 1HG ARG 21 -12.993 18.299 -4.536 135 HG3 ARG 21 2HG ARG 21 -12.608 18.299 -2.814 136 HD2 ARG 21 1HD ARG 21 -12.588 20.545 -3.190 137 HD3 ARG 21 2HD ARG 21 -10.906 20.179 -3.574 138 HE ARG 21 HE ARG 21 -11.334 20.638 -5.790 139 HH11 ARG 21 2HH1 ARG 21 -14.323 20.481 -4.012 140 HH12 ARG 21 1HH1 ARG 21 -15.278 21.126 -5.306 141 HH21 ARG 21 2HH2 ARG 21 -12.580 21.488 -7.501 142 HH22 ARG 21 1HH2 ARG 21 -14.286 21.697 -7.290 143 H ASN 22 H ASN 22 -9.707 15.325 -4.709 144 HA ASN 22 HA ASN 22 -6.969 16.013 -5.403 145 HB2 ASN 22 1HB ASN 22 -8.125 13.619 -3.957 146 HB3 ASN 22 2HB ASN 22 -6.405 13.902 -4.209 147 HD21 ASN 22 1HD2 ASN 22 -9.303 15.375 -2.823 148 HD22 ASN 22 2HD2 ASN 22 -8.488 16.178 -1.528 149 H LYS 23 H LYS 23 -7.472 15.961 -7.733 150 HA LYS 23 HA LYS 23 -8.293 13.715 -9.144 151 HB2 LYS 23 1HB LYS 23 -7.947 16.025 -10.068 152 HB3 LYS 23 2HB LYS 23 -6.218 15.706 -10.072 153 HG2 LYS 23 1HG LYS 23 -6.836 13.648 -11.504 154 HG3 LYS 23 2HG LYS 23 -8.364 14.493 -11.762 155 HD2 LYS 23 1HD LYS 23 -5.692 15.791 -12.245 156 HD3 LYS 23 2HD LYS 23 -6.543 14.876 -13.492 157 HE2 LYS 23 1HE LYS 23 -8.399 16.378 -13.424 158 HE3 LYS 23 2HE LYS 23 -7.759 17.192 -11.997 159 HZ1 LYS 23 1HZ LYS 23 -7.291 18.547 -13.865 160 HZ2 LYS 23 2HZ LYS 23 -6.658 17.252 -14.750 161 HZ3 LYS 23 3HZ LYS 23 -5.822 17.844 -13.404 162 H GLY 24 H GLY 24 -5.117 14.551 -7.877 163 HA2 GLY 24 1HA GLY 24 -3.288 13.208 -7.475 164 HA3 GLY 24 2HA GLY 24 -4.279 11.824 -7.914 165 HA PRO 25 HA PRO 25 -2.801 10.378 -8.100 166 HB2 PRO 25 1HB PRO 25 -0.214 9.597 -8.360 167 HB3 PRO 25 2HB PRO 25 -1.509 8.995 -9.402 168 HG2 PRO 25 1HG PRO 25 0.500 11.151 -9.930 169 HG3 PRO 25 2HG PRO 25 -0.067 9.861 -11.007 170 HD2 PRO 25 1HD PRO 25 -0.988 12.402 -11.168 171 HD3 PRO 25 2HD PRO 25 -1.997 10.994 -11.556 172 H VAL 26 H VAL 26 -1.630 10.142 -6.075 173 HA VAL 26 HA VAL 26 -0.451 12.692 -5.207 174 HB VAL 26 HB VAL 26 -0.996 11.965 -2.909 175 HG11 VAL 26 1HG1 VAL 26 -2.796 13.201 -3.338 176 HG12 VAL 26 2HG1 VAL 26 -2.877 12.618 -5.002 177 HG13 VAL 26 3HG1 VAL 26 -3.649 11.702 -3.706 178 HG21 VAL 26 1HG2 VAL 26 -2.388 9.648 -4.248 179 HG22 VAL 26 2HG2 VAL 26 -0.891 9.537 -3.323 180 HG23 VAL 26 3HG2 VAL 26 -2.387 10.018 -2.523 181 H SER 27 H SER 27 1.335 12.645 -3.711 182 HA SER 27 HA SER 27 3.058 10.289 -4.110 183 HB2 SER 27 1HB SER 27 3.679 13.224 -3.913 184 HB3 SER 27 2HB SER 27 4.915 12.019 -3.553 185 HG SER 27 HG SER 27 3.956 11.187 -5.766 186 H ILE 28 H ILE 28 2.933 9.055 -2.342 187 HA ILE 28 HA ILE 28 2.889 10.344 0.295 188 HB ILE 28 HB ILE 28 2.032 8.335 1.203 189 HG12 ILE 28 1HG1 ILE 28 1.691 6.382 -0.582 190 HG13 ILE 28 2HG1 ILE 28 3.115 7.129 -1.297 191 HG21 ILE 28 1HG2 ILE 28 0.188 7.787 -0.653 192 HG22 ILE 28 2HG2 ILE 28 0.162 9.256 0.321 193 HG23 ILE 28 3HG2 ILE 28 0.818 9.294 -1.315 194 HD11 ILE 28 1HD1 ILE 28 3.186 6.549 1.604 195 HD12 ILE 28 2HD1 ILE 28 3.281 5.188 0.486 196 HD13 ILE 28 3HD1 ILE 28 4.472 6.486 0.399 197 H LYS 29 H LYS 29 4.369 9.817 1.894 198 HA LYS 29 HA LYS 29 6.781 8.411 0.950 199 HB2 LYS 29 1HB LYS 29 6.887 10.932 1.480 200 HB3 LYS 29 2HB LYS 29 6.757 10.448 3.165 201 HG2 LYS 29 1HG LYS 29 8.765 8.910 2.632 202 HG3 LYS 29 2HG LYS 29 8.977 9.956 1.226 203 HD2 LYS 29 1HD LYS 29 8.609 11.237 3.885 204 HD3 LYS 29 2HD LYS 29 10.160 10.467 3.541 205 HE2 LYS 29 1HE LYS 29 10.599 12.555 2.740 206 HE3 LYS 29 2HE LYS 29 9.916 11.831 1.284 207 HZ1 LYS 29 1HZ LYS 29 8.629 13.657 1.348 208 HZ2 LYS 29 2HZ LYS 29 8.831 13.898 3.010 209 HZ3 LYS 29 3HZ LYS 29 7.716 12.756 2.451 210 H VAL 30 H VAL 30 7.296 6.594 1.968 211 HA VAL 30 HA VAL 30 5.932 5.951 4.480 212 HB VAL 30 HB VAL 30 7.477 4.153 2.606 213 HG11 VAL 30 1HG1 VAL 30 6.236 3.732 5.264 214 HG12 VAL 30 2HG1 VAL 30 6.029 2.457 4.061 215 HG13 VAL 30 3HG1 VAL 30 7.649 2.967 4.537 216 HG21 VAL 30 1HG2 VAL 30 4.607 3.716 2.980 217 HG22 VAL 30 2HG2 VAL 30 5.008 5.239 2.187 218 HG23 VAL 30 3HG2 VAL 30 5.573 3.714 1.504 219 H GLN 31 H GLN 31 7.034 6.582 6.225 220 HA GLN 31 HA GLN 31 9.867 6.861 6.286 221 HB2 GLN 31 1HB GLN 31 8.007 8.037 7.709 222 HB3 GLN 31 2HB GLN 31 8.214 6.653 8.774 223 HG2 GLN 31 1HG GLN 31 10.167 8.807 8.084 224 HG3 GLN 31 2HG GLN 31 9.625 8.258 9.669 225 HE21 GLN 31 1HE2 GLN 31 10.022 5.669 9.740 226 HE22 GLN 31 2HE2 GLN 31 11.675 5.253 9.457 227 H VAL 32 H VAL 32 11.129 5.116 6.136 228 HA VAL 32 HA VAL 32 10.360 2.640 7.484 229 HB VAL 32 HB VAL 32 12.730 3.129 5.677 230 HG11 VAL 32 1HG1 VAL 32 12.563 1.125 7.356 231 HG12 VAL 32 2HG1 VAL 32 11.459 0.472 6.144 232 HG13 VAL 32 3HG1 VAL 32 13.122 0.865 5.704 233 HG21 VAL 32 1HG2 VAL 32 11.181 3.341 4.068 234 HG22 VAL 32 2HG2 VAL 32 10.980 1.598 4.247 235 HG23 VAL 32 3HG2 VAL 32 9.893 2.702 5.089 236 HA PRO 33 HA PRO 33 13.015 3.736 10.893 237 HB2 PRO 33 1HB PRO 33 12.624 1.442 12.291 238 HB3 PRO 33 2HB PRO 33 11.436 2.750 12.238 239 HG2 PRO 33 1HG PRO 33 11.511 0.196 10.679 240 HG3 PRO 33 2HG PRO 33 10.132 0.987 11.464 241 HD2 PRO 33 1HD PRO 33 10.596 1.172 8.803 242 HD3 PRO 33 2HD PRO 33 9.844 2.483 9.735 243 H ASN 34 H ASN 34 14.779 2.508 12.140 244 HA ASN 34 HA ASN 34 16.343 0.894 10.232 245 HB2 ASN 34 1HB ASN 34 17.459 2.984 10.493 246 HB3 ASN 34 2HB ASN 34 17.242 2.959 12.241 247 HD21 ASN 34 1HD2 ASN 34 19.680 3.447 11.562 248 HD22 ASN 34 2HD2 ASN 34 20.714 2.070 11.707 249 H MET 35 H MET 35 15.774 -1.126 10.956 250 HA MET 35 HA MET 35 16.399 -1.741 13.767 251 HB2 MET 35 1HB MET 35 14.418 -2.925 11.844 252 HB3 MET 35 2HB MET 35 14.977 -3.842 13.236 253 HG2 MET 35 1HG MET 35 14.276 -1.783 14.606 254 HG3 MET 35 2HG MET 35 13.371 -1.321 13.166 255 HE1 MET 35 1HE MET 35 10.149 -2.637 14.397 256 HE2 MET 35 2HE MET 35 11.207 -1.226 14.435 257 HE3 MET 35 3HE MET 35 10.868 -2.034 12.904 258 H GLN 36 H GLN 36 18.441 -2.461 13.835 259 HA GLN 36 HA GLN 36 19.632 -3.944 11.690 260 HB2 GLN 36 1HB GLN 36 20.509 -2.920 14.339 261 HB3 GLN 36 2HB GLN 36 21.407 -4.272 13.664 262 HG2 GLN 36 1HG GLN 36 22.097 -3.038 11.804 263 HG3 GLN 36 2HG GLN 36 20.878 -1.792 12.070 264 HE21 GLN 36 1HE2 GLN 36 21.487 -0.012 13.083 265 HE22 GLN 36 2HE2 GLN 36 22.939 0.184 13.997 266 H ASP 37 H ASP 37 18.988 -4.764 15.104 267 HA ASP 37 HA ASP 37 18.594 -7.556 14.252 268 HB2 ASP 37 1HB ASP 37 20.131 -6.495 16.617 269 HB3 ASP 37 2HB ASP 37 19.515 -8.145 16.575 270 H LYS 38 H LYS 38 16.447 -5.940 14.349 271 HA LYS 38 HA LYS 38 15.097 -6.755 16.838 272 HB2 LYS 38 1HB LYS 38 14.870 -4.176 15.298 273 HB3 LYS 38 2HB LYS 38 13.614 -4.706 16.409 274 HG2 LYS 38 1HG LYS 38 15.663 -4.929 18.060 275 HG3 LYS 38 2HG LYS 38 16.360 -3.730 16.968 276 HD2 LYS 38 1HD LYS 38 14.057 -2.532 17.292 277 HD3 LYS 38 2HD LYS 38 13.974 -3.517 18.755 278 HE2 LYS 38 1HE LYS 38 16.297 -2.623 19.292 279 HE3 LYS 38 2HE LYS 38 16.021 -1.444 18.010 280 HZ1 LYS 38 1HZ LYS 38 15.433 -0.553 20.175 281 HZ2 LYS 38 2HZ LYS 38 14.321 -1.804 20.419 282 HZ3 LYS 38 3HZ LYS 38 14.062 -0.669 19.191 283 H THR 39 H THR 39 15.325 -7.371 13.664 284 HA THR 39 HA THR 39 12.923 -8.833 13.523 285 HB THR 39 HB THR 39 11.686 -6.855 13.212 286 HG1 THR 39 1HG THR 39 11.817 -7.060 10.549 287 HG21 THR 39 1HG2 THR 39 13.953 -5.601 12.616 288 HG22 THR 39 2HG2 THR 39 12.379 -4.943 12.167 289 HG23 THR 39 3HG2 THR 39 13.343 -5.814 10.975 290 H GLU 40 H GLU 40 12.484 -9.499 11.126 291 HA GLU 40 HA GLU 40 15.107 -9.984 9.880 292 HB2 GLU 40 1HB GLU 40 14.006 -11.993 8.863 293 HB3 GLU 40 2HB GLU 40 14.147 -12.047 10.615 294 HG2 GLU 40 1HG GLU 40 11.874 -11.717 10.938 295 HG3 GLU 40 2HG GLU 40 11.641 -11.061 9.319 296 H TRP 41 H TRP 41 13.988 -7.600 9.259 297 HA TRP 41 HA TRP 41 13.126 -8.020 6.480 298 HB2 TRP 41 1HB TRP 41 12.058 -5.826 8.265 299 HB3 TRP 41 2HB TRP 41 11.547 -6.206 6.622 300 HD1 TRP 41 HD TRP 41 11.163 -9.347 6.944 301 HE1 TRP 41 1HE TRP 41 9.193 -10.245 8.336 302 HE3 TRP 41 3HE TRP 41 10.222 -5.202 9.785 303 HZ2 TRP 41 2HZ TRP 41 7.468 -9.318 10.369 304 HZ3 TRP 41 3HZ TRP 41 8.394 -5.290 11.430 305 HH2 TRP 41 HH TRP 41 7.047 -7.306 11.714 306 H LYS 42 H LYS 42 13.185 -5.657 5.390 307 HA LYS 42 HA LYS 42 15.952 -4.779 5.745 308 HB2 LYS 42 1HB LYS 42 13.982 -4.197 3.525 309 HB3 LYS 42 2HB LYS 42 15.667 -3.694 3.550 310 HG2 LYS 42 1HG LYS 42 15.052 -6.587 3.844 311 HG3 LYS 42 2HG LYS 42 14.891 -5.843 2.251 312 HD2 LYS 42 1HD LYS 42 17.151 -5.322 2.128 313 HD3 LYS 42 2HD LYS 42 17.368 -5.412 3.878 314 HE2 LYS 42 1HE LYS 42 16.889 -7.885 3.681 315 HE3 LYS 42 2HE LYS 42 17.011 -7.683 1.933 316 HZ1 LYS 42 1HZ LYS 42 19.095 -8.427 2.997 317 HZ2 LYS 42 2HZ LYS 42 19.163 -6.967 3.848 318 HZ3 LYS 42 3HZ LYS 42 19.265 -6.967 2.159 319 H LEU 43 H LEU 43 15.790 -3.441 7.541 320 HA LEU 43 HA LEU 43 14.376 -0.908 7.057 321 HB2 LEU 43 1HB LEU 43 14.609 -2.321 9.709 322 HB3 LEU 43 2HB LEU 43 13.845 -0.758 9.430 323 HG LEU 43 HG LEU 43 12.853 -3.297 8.153 324 HD11 LEU 43 1HD1 LEU 43 11.043 -2.893 10.049 325 HD12 LEU 43 2HD1 LEU 43 12.449 -2.251 10.897 326 HD13 LEU 43 3HD1 LEU 43 12.460 -3.911 10.305 327 HD21 LEU 43 1HD2 LEU 43 10.715 -1.801 8.298 328 HD22 LEU 43 2HD2 LEU 43 11.890 -1.551 7.007 329 HD23 LEU 43 3HD2 LEU 43 11.885 -0.487 8.414 330 H ASN 44 H ASN 44 16.071 0.369 6.549 331 HA ASN 44 HA ASN 44 18.136 0.704 8.609 332 HB2 ASN 44 1HB ASN 44 18.552 0.290 5.658 333 HB3 ASN 44 2HB ASN 44 19.739 1.154 6.630 334 HD21 ASN 44 1HD2 ASN 44 18.825 -1.806 5.475 335 HD22 ASN 44 2HD2 ASN 44 19.720 -2.814 6.555 336 H GLY 45 H GLY 45 16.417 2.435 9.009 337 HA2 GLY 45 1HA GLY 45 15.585 4.589 8.691 338 HA3 GLY 45 2HA GLY 45 17.307 4.934 8.740 339 H GLN 46 H GLN 46 14.536 4.424 6.660 340 HA GLN 46 HA GLN 46 15.751 6.103 4.638 341 HB2 GLN 46 1HB GLN 46 15.494 4.532 2.818 342 HB3 GLN 46 2HB GLN 46 16.528 3.825 4.052 343 HG2 GLN 46 1HG GLN 46 14.741 2.439 4.841 344 HG3 GLN 46 2HG GLN 46 13.593 3.237 3.767 345 HE21 GLN 46 1HE2 GLN 46 13.949 0.494 3.789 346 HE22 GLN 46 2HE2 GLN 46 14.653 0.005 2.289 347 H GLY 47 H GLY 47 14.057 5.966 2.607 348 HA2 GLY 47 1HA GLY 47 11.331 6.029 3.699 349 HA3 GLY 47 2HA GLY 47 11.966 7.479 2.934 350 H LEU 48 H LEU 48 9.878 5.171 2.366 351 HA LEU 48 HA LEU 48 10.676 4.720 -0.429 352 HB2 LEU 48 1HB LEU 48 8.583 3.281 1.195 353 HB3 LEU 48 2HB LEU 48 9.094 2.878 -0.443 354 HG LEU 48 HG LEU 48 10.788 2.659 2.046 355 HD11 LEU 48 1HD1 LEU 48 8.956 0.991 1.835 356 HD12 LEU 48 2HD1 LEU 48 10.573 0.290 1.792 357 HD13 LEU 48 3HD1 LEU 48 9.656 0.482 0.298 358 HD21 LEU 48 1HD2 LEU 48 12.565 2.512 0.728 359 HD22 LEU 48 2HD2 LEU 48 11.553 2.936 -0.653 360 HD23 LEU 48 3HD2 LEU 48 11.793 1.242 -0.222 361 H VAL 49 H VAL 49 9.764 6.021 -1.862 362 HA VAL 49 HA VAL 49 7.077 7.091 -1.294 363 HB VAL 49 HB VAL 49 9.243 8.261 -3.047 364 HG11 VAL 49 1HG1 VAL 49 6.773 9.736 -2.275 365 HG12 VAL 49 2HG1 VAL 49 7.808 9.930 -3.691 366 HG13 VAL 49 3HG1 VAL 49 6.690 8.569 -3.593 367 HG21 VAL 49 1HG2 VAL 49 9.608 8.402 -0.574 368 HG22 VAL 49 2HG2 VAL 49 9.485 9.963 -1.387 369 HG23 VAL 49 3HG2 VAL 49 8.116 9.337 -0.467 370 H PHE 50 H PHE 50 5.477 6.908 -2.798 371 HA PHE 50 HA PHE 50 6.100 5.797 -5.422 372 HB2 PHE 50 1HB PHE 50 4.082 4.512 -3.571 373 HB3 PHE 50 2HB PHE 50 4.455 4.009 -5.217 374 HD1 PHE 50 1HD PHE 50 6.864 3.263 -5.692 375 HD2 PHE 50 2HD PHE 50 5.224 3.592 -1.778 376 HE1 PHE 50 1HE PHE 50 8.612 1.757 -4.836 377 HE2 PHE 50 2HE PHE 50 6.969 2.087 -0.916 378 HZ PHE 50 HZ PHE 50 8.667 1.168 -2.445 379 H THR 51 H THR 51 5.086 6.992 -6.877 380 HA THR 51 HA THR 51 2.805 8.618 -6.090 381 HB THR 51 HB THR 51 4.164 8.552 -8.786 382 HG1 THR 51 1HG THR 51 5.748 9.631 -7.902 383 HG21 THR 51 1HG2 THR 51 2.044 9.653 -8.887 384 HG22 THR 51 2HG2 THR 51 3.286 10.904 -8.866 385 HG23 THR 51 3HG2 THR 51 2.372 10.544 -7.402 386 H LEU 52 H LEU 52 0.935 7.508 -6.075 387 HA LEU 52 HA LEU 52 0.115 6.227 -8.582 388 HB2 LEU 52 1HB LEU 52 -0.534 5.027 -5.907 389 HB3 LEU 52 2HB LEU 52 -0.757 4.317 -7.505 390 HG LEU 52 HG LEU 52 1.932 4.852 -6.248 391 HD11 LEU 52 1HD1 LEU 52 0.204 2.395 -6.269 392 HD12 LEU 52 2HD1 LEU 52 0.949 3.204 -4.890 393 HD13 LEU 52 3HD1 LEU 52 1.952 2.324 -6.043 394 HD21 LEU 52 1HD2 LEU 52 1.388 2.945 -8.479 395 HD22 LEU 52 2HD2 LEU 52 2.877 3.794 -8.062 396 HD23 LEU 52 3HD2 LEU 52 1.546 4.667 -8.823 397 HA PRO 53 HA PRO 53 -3.589 8.530 -8.051 398 HB2 PRO 53 1HB PRO 53 -5.329 6.965 -9.428 399 HB3 PRO 53 2HB PRO 53 -4.096 7.956 -10.218 400 HG2 PRO 53 1HG PRO 53 -4.057 5.029 -9.589 401 HG3 PRO 53 2HG PRO 53 -3.538 5.864 -11.065 402 HD2 PRO 53 1HD PRO 53 -1.791 5.023 -9.175 403 HD3 PRO 53 2HD PRO 53 -1.511 6.476 -10.156 404 H LEU 54 H LEU 54 -5.850 8.340 -7.266 405 HA LEU 54 HA LEU 54 -5.948 6.528 -4.988 406 HB2 LEU 54 1HB LEU 54 -7.511 8.958 -5.795 407 HB3 LEU 54 2HB LEU 54 -8.056 7.906 -4.490 408 HG LEU 54 HG LEU 54 -6.942 9.707 -3.458 409 HD11 LEU 54 1HD1 LEU 54 -5.670 8.491 -2.078 410 HD12 LEU 54 2HD1 LEU 54 -4.592 7.969 -3.372 411 HD13 LEU 54 3HD1 LEU 54 -6.121 7.130 -3.105 412 HD21 LEU 54 1HD2 LEU 54 -5.114 9.462 -5.758 413 HD22 LEU 54 2HD2 LEU 54 -4.370 9.911 -4.224 414 HD23 LEU 54 3HD2 LEU 54 -5.671 10.895 -4.895 415 H THR 55 H THR 55 -6.375 4.577 -6.104 416 HA THR 55 HA THR 55 -9.163 4.349 -7.029 417 HB THR 55 HB THR 55 -8.342 2.487 -8.546 418 HG1 THR 55 1HG THR 55 -6.297 2.020 -8.252 419 HG21 THR 55 1HG2 THR 55 -8.153 5.367 -8.894 420 HG22 THR 55 2HG2 THR 55 -8.791 4.138 -9.987 421 HG23 THR 55 3HG2 THR 55 -7.064 4.491 -9.969 422 H ASP 56 H ASP 56 -6.398 2.269 -6.143 423 HA ASP 56 HA ASP 56 -8.146 0.290 -4.998 424 HB2 ASP 56 1HB ASP 56 -5.758 0.052 -6.147 425 HB3 ASP 56 2HB ASP 56 -5.209 0.252 -4.486 426 H GLN 57 H GLN 57 -7.040 -0.603 -2.752 427 HA GLN 57 HA GLN 57 -7.555 1.575 -0.873 428 HB2 GLN 57 1HB GLN 57 -7.398 -1.416 -0.466 429 HB3 GLN 57 2HB GLN 57 -7.730 -0.253 0.811 430 HG2 GLN 57 1HG GLN 57 -9.823 0.273 -0.035 431 HG3 GLN 57 2HG GLN 57 -9.439 -0.350 -1.639 432 HE21 GLN 57 1HE2 GLN 57 -11.634 -1.319 -1.117 433 HE22 GLN 57 2HE2 GLN 57 -11.625 -2.885 -0.388 434 H VAL 58 H VAL 58 -6.280 0.928 1.361 435 HA VAL 58 HA VAL 58 -3.653 1.818 0.954 436 HB VAL 58 HB VAL 58 -4.902 0.462 3.344 437 HG11 VAL 58 1HG1 VAL 58 -2.128 1.274 2.823 438 HG12 VAL 58 2HG1 VAL 58 -2.803 1.860 4.345 439 HG13 VAL 58 3HG1 VAL 58 -2.776 0.130 3.998 440 HG21 VAL 58 1HG2 VAL 58 -5.743 2.723 2.551 441 HG22 VAL 58 2HG2 VAL 58 -5.207 2.627 4.228 442 HG23 VAL 58 3HG2 VAL 58 -4.163 3.358 3.010 443 H SER 59 H SER 59 -5.014 -1.331 0.800 444 HA SER 59 HA SER 59 -2.957 -3.004 1.528 445 HB2 SER 59 1HB SER 59 -4.927 -4.099 0.921 446 HB3 SER 59 2HB SER 59 -5.077 -3.202 -0.590 447 HG SER 59 HG SER 59 -2.886 -4.917 -0.191 448 H VAL 60 H VAL 60 -3.445 -1.434 -1.622 449 HA VAL 60 HA VAL 60 -1.294 -2.518 -2.995 450 HB VAL 60 HB VAL 60 -1.323 -0.457 -4.379 451 HG11 VAL 60 1HG1 VAL 60 -3.555 -0.760 -5.251 452 HG12 VAL 60 2HG1 VAL 60 -2.895 -2.324 -4.769 453 HG13 VAL 60 3HG1 VAL 60 -4.077 -1.510 -3.743 454 HG21 VAL 60 1HG2 VAL 60 -2.591 0.606 -2.017 455 HG22 VAL 60 2HG2 VAL 60 -1.927 1.455 -3.413 456 HG23 VAL 60 3HG2 VAL 60 -3.591 0.871 -3.446 457 H ILE 61 H ILE 61 -1.322 -0.206 -0.435 458 HA ILE 61 HA ILE 61 1.305 0.847 -0.970 459 HB ILE 61 HB ILE 61 -0.314 1.058 1.569 460 HG12 ILE 61 1HG1 ILE 61 -0.138 3.064 -0.684 461 HG13 ILE 61 2HG1 ILE 61 -1.459 1.913 -0.514 462 HG21 ILE 61 1HG2 ILE 61 2.305 2.002 0.768 463 HG22 ILE 61 2HG2 ILE 61 1.246 3.323 1.259 464 HG23 ILE 61 3HG2 ILE 61 1.551 1.982 2.362 465 HD11 ILE 61 1HD1 ILE 61 -1.608 2.966 1.893 466 HD12 ILE 61 2HD1 ILE 61 -0.821 4.324 1.088 467 HD13 ILE 61 3HD1 ILE 61 -2.373 3.729 0.500 468 H LYS 62 H LYS 62 -0.105 -1.623 1.094 469 HA LYS 62 HA LYS 62 2.282 -2.117 2.588 470 HB2 LYS 62 1HB LYS 62 -0.221 -3.770 2.212 471 HB3 LYS 62 2HB LYS 62 1.075 -4.177 3.330 472 HG2 LYS 62 1HG LYS 62 0.680 -1.922 4.403 473 HG3 LYS 62 2HG LYS 62 -0.791 -1.826 3.432 474 HD2 LYS 62 1HD LYS 62 -1.765 -3.655 4.524 475 HD3 LYS 62 2HD LYS 62 -0.219 -4.201 5.178 476 HE2 LYS 62 1HE LYS 62 -0.157 -2.106 6.545 477 HE3 LYS 62 2HE LYS 62 -1.796 -1.764 5.993 478 HZ1 LYS 62 1HZ LYS 62 -2.649 -3.555 7.158 479 HZ2 LYS 62 2HZ LYS 62 -1.475 -2.961 8.221 480 HZ3 LYS 62 3HZ LYS 62 -1.153 -4.335 7.288 481 H VAL 63 H VAL 63 0.680 -3.726 -0.141 482 HA VAL 63 HA VAL 63 2.380 -5.900 -0.435 483 HB VAL 63 HB VAL 63 0.219 -5.376 -1.712 484 HG11 VAL 63 1HG1 VAL 63 0.852 -3.223 -2.620 485 HG12 VAL 63 2HG1 VAL 63 2.205 -3.956 -3.484 486 HG13 VAL 63 3HG1 VAL 63 0.547 -4.359 -3.933 487 HG21 VAL 63 1HG2 VAL 63 1.385 -7.402 -2.142 488 HG22 VAL 63 2HG2 VAL 63 1.010 -6.686 -3.709 489 HG23 VAL 63 3HG2 VAL 63 2.642 -6.562 -3.051 490 H LYS 64 H LYS 64 2.704 -2.609 -1.690 491 HA LYS 64 HA LYS 64 4.983 -3.047 -3.278 492 HB2 LYS 64 1HB LYS 64 3.976 -0.559 -1.894 493 HB3 LYS 64 2HB LYS 64 5.328 -0.565 -3.019 494 HG2 LYS 64 1HG LYS 64 2.722 -1.718 -3.884 495 HG3 LYS 64 2HG LYS 64 2.917 0.035 -3.825 496 HD2 LYS 64 1HD LYS 64 5.140 -0.507 -5.133 497 HD3 LYS 64 2HD LYS 64 4.261 -1.975 -5.568 498 HE2 LYS 64 1HE LYS 64 3.306 0.855 -6.001 499 HE3 LYS 64 2HE LYS 64 3.963 -0.212 -7.241 500 HZ1 LYS 64 1HZ LYS 64 1.853 -0.795 -7.574 501 HZ2 LYS 64 2HZ LYS 64 1.324 -0.128 -6.113 502 HZ3 LYS 64 3HZ LYS 64 1.976 -1.688 -6.142 503 H ILE 65 H ILE 65 4.741 -1.672 0.005 504 HA ILE 65 HA ILE 65 7.430 -1.376 0.543 505 HB ILE 65 HB ILE 65 5.231 -2.167 2.455 506 HG12 ILE 65 1HG1 ILE 65 6.474 0.555 2.139 507 HG13 ILE 65 2HG1 ILE 65 5.144 0.042 1.106 508 HG21 ILE 65 1HG2 ILE 65 7.882 -0.933 3.162 509 HG22 ILE 65 2HG2 ILE 65 6.648 -1.558 4.255 510 HG23 ILE 65 3HG2 ILE 65 7.571 -2.667 3.241 511 HD11 ILE 65 1HD1 ILE 65 4.496 1.391 3.107 512 HD12 ILE 65 2HD1 ILE 65 3.682 -0.167 2.961 513 HD13 ILE 65 3HD1 ILE 65 5.007 0.032 4.107 514 H HIS 66 H HIS 66 5.414 -4.261 0.946 515 HA HIS 66 HA HIS 66 7.450 -5.865 2.102 516 HB2 HIS 66 1HB HIS 66 5.197 -6.541 2.461 517 HB3 HIS 66 2HB HIS 66 4.844 -6.532 0.736 518 HD1 HIS 66 1HD HIS 66 4.635 -8.822 -0.138 519 HD2 HIS 66 2HD HIS 66 7.458 -8.596 2.903 520 HE1 HIS 66 1HE HIS 66 5.526 -11.159 0.127 521 HE2 HIS 66 2HE HIS 66 7.170 -11.014 2.030 522 H GLU 67 H GLU 67 6.449 -5.202 -1.191 523 HA GLU 67 HA GLU 67 7.841 -7.293 -2.464 524 HB2 GLU 67 1HB GLU 67 6.667 -4.695 -3.303 525 HB3 GLU 67 2HB GLU 67 7.847 -5.426 -4.381 526 HG2 GLU 67 1HG GLU 67 5.500 -6.970 -3.343 527 HG3 GLU 67 2HG GLU 67 5.385 -5.949 -4.775 528 H ALA 68 H ALA 68 8.861 -4.206 -1.221 529 HA ALA 68 HA ALA 68 11.484 -4.446 -2.488 530 HB1 ALA 68 1HB ALA 68 11.691 -2.220 -2.262 531 HB2 ALA 68 2HB ALA 68 9.944 -2.265 -2.020 532 HB3 ALA 68 3HB ALA 68 11.026 -2.220 -0.628 533 H THR 69 H THR 69 10.160 -3.965 0.789 534 HA THR 69 HA THR 69 12.681 -4.931 1.919 535 HB THR 69 HB THR 69 11.860 -4.133 4.067 536 HG1 THR 69 1HG THR 69 9.611 -4.568 3.680 537 HG21 THR 69 1HG2 THR 69 11.082 -1.778 2.542 538 HG22 THR 69 2HG2 THR 69 12.540 -2.543 1.911 539 HG23 THR 69 3HG2 THR 69 12.472 -2.031 3.597 540 H GLY 70 H GLY 70 12.639 -6.505 3.671 541 HA2 GLY 70 1HA GLY 70 11.143 -8.811 2.989 542 HA3 GLY 70 2HA GLY 70 12.139 -8.617 4.424 543 H MET 71 H MET 71 10.250 -6.088 4.761 544 HA MET 71 HA MET 71 8.670 -7.184 6.800 545 HB2 MET 71 1HB MET 71 9.368 -4.716 6.316 546 HB3 MET 71 2HB MET 71 7.883 -4.666 5.376 547 HG2 MET 71 1HG MET 71 6.567 -5.181 7.306 548 HG3 MET 71 2HG MET 71 8.014 -5.466 8.271 549 HE1 MET 71 1HE MET 71 8.028 -3.755 10.206 550 HE2 MET 71 2HE MET 71 7.079 -2.273 10.094 551 HE3 MET 71 3HE MET 71 6.311 -3.836 9.811 552 HA PRO 72 HA PRO 72 5.479 -9.067 4.344 553 HB2 PRO 72 1HB PRO 72 3.900 -9.802 6.426 554 HB3 PRO 72 2HB PRO 72 5.378 -10.667 5.990 555 HG2 PRO 72 1HG PRO 72 4.942 -8.623 8.133 556 HG3 PRO 72 2HG PRO 72 5.854 -10.142 8.205 557 HD2 PRO 72 1HD PRO 72 7.053 -7.735 7.886 558 HD3 PRO 72 2HD PRO 72 7.701 -9.226 7.174 559 H ALA 73 H ALA 73 3.380 -8.592 3.685 560 HA ALA 73 HA ALA 73 2.492 -5.908 4.250 561 HB1 ALA 73 1HB ALA 73 1.868 -6.112 2.128 562 HB2 ALA 73 2HB ALA 73 2.086 -7.862 2.169 563 HB3 ALA 73 3HB ALA 73 0.554 -7.152 2.680 564 H GLY 74 H GLY 74 2.175 -6.601 6.605 565 HA2 GLY 74 1HA GLY 74 -0.600 -6.701 7.139 566 HA3 GLY 74 2HA GLY 74 0.107 -8.285 7.423 567 H LYS 75 H LYS 75 2.349 -8.000 8.674 568 HA LYS 75 HA LYS 75 1.698 -7.249 11.279 569 HB2 LYS 75 1HB LYS 75 4.242 -7.909 9.862 570 HB3 LYS 75 2HB LYS 75 4.338 -7.212 11.474 571 HG2 LYS 75 1HG LYS 75 2.660 -9.080 12.111 572 HG3 LYS 75 2HG LYS 75 3.207 -9.839 10.614 573 HD2 LYS 75 1HD LYS 75 4.585 -10.724 12.309 574 HD3 LYS 75 2HD LYS 75 5.571 -9.511 11.489 575 HE2 LYS 75 1HE LYS 75 4.917 -7.888 13.269 576 HE3 LYS 75 2HE LYS 75 4.119 -9.213 14.115 577 HZ1 LYS 75 1HZ LYS 75 6.101 -9.436 15.101 578 HZ2 LYS 75 2HZ LYS 75 6.934 -8.599 13.890 579 HZ3 LYS 75 3HZ LYS 75 6.557 -10.235 13.681 580 H GLN 76 H GLN 76 3.327 -5.460 8.719 581 HA GLN 76 HA GLN 76 4.130 -3.264 10.320 582 HB2 GLN 76 1HB GLN 76 4.571 -2.123 8.236 583 HB3 GLN 76 2HB GLN 76 5.105 -3.793 8.103 584 HG2 GLN 76 1HG GLN 76 3.156 -4.366 6.816 585 HG3 GLN 76 2HG GLN 76 2.487 -2.751 7.047 586 HE21 GLN 76 1HE2 GLN 76 3.043 -4.101 4.568 587 HE22 GLN 76 2HE2 GLN 76 4.188 -3.129 3.715 588 H LYS 77 H LYS 77 3.043 -1.535 11.020 589 HA LYS 77 HA LYS 77 0.241 -1.249 10.178 590 HB2 LYS 77 1HB LYS 77 0.910 -1.626 12.640 591 HB3 LYS 77 2HB LYS 77 1.466 0.042 12.605 592 HG2 LYS 77 1HG LYS 77 -0.826 0.712 11.884 593 HG3 LYS 77 2HG LYS 77 -1.336 -0.956 12.151 594 HD2 LYS 77 1HD LYS 77 -0.038 0.751 14.269 595 HD3 LYS 77 2HD LYS 77 -1.786 0.619 14.057 596 HE2 LYS 77 1HE LYS 77 -0.209 -1.891 14.278 597 HE3 LYS 77 2HE LYS 77 -0.447 -0.934 15.740 598 HZ1 LYS 77 1HZ LYS 77 -2.769 -1.536 14.049 599 HZ2 LYS 77 2HZ LYS 77 -2.691 -1.293 15.721 600 HZ3 LYS 77 3HZ LYS 77 -2.159 -2.754 15.053 601 H LEU 78 H LEU 78 -0.182 0.332 8.798 602 HA LEU 78 HA LEU 78 1.707 2.506 8.432 603 HB2 LEU 78 1HB LEU 78 -0.870 1.897 6.992 604 HB3 LEU 78 2HB LEU 78 0.313 3.115 6.521 605 HG LEU 78 HG LEU 78 0.694 0.122 6.487 606 HD11 LEU 78 1HD1 LEU 78 -0.717 1.194 4.691 607 HD12 LEU 78 2HD1 LEU 78 0.694 0.297 4.131 608 HD13 LEU 78 3HD1 LEU 78 0.735 2.059 4.187 609 HD21 LEU 78 1HD2 LEU 78 2.849 0.819 5.290 610 HD22 LEU 78 2HD2 LEU 78 2.802 0.960 7.048 611 HD23 LEU 78 3HD2 LEU 78 2.601 2.395 6.042 612 H GLN 79 H GLN 79 1.560 4.291 9.605 613 HA GLN 79 HA GLN 79 -1.077 5.112 10.614 614 HB2 GLN 79 1HB GLN 79 0.929 4.636 12.184 615 HB3 GLN 79 2HB GLN 79 1.541 6.186 11.622 616 HG2 GLN 79 1HG GLN 79 -0.524 7.264 12.402 617 HG3 GLN 79 2HG GLN 79 -1.086 5.708 13.009 618 HE21 GLN 79 1HE2 GLN 79 -1.214 6.796 15.065 619 HE22 GLN 79 2HE2 GLN 79 0.205 6.958 16.036 620 H TYR 80 H TYR 80 -2.015 6.735 9.584 621 HA TYR 80 HA TYR 80 -0.347 8.611 8.063 622 HB2 TYR 80 1HB TYR 80 -1.955 7.659 6.630 623 HB3 TYR 80 2HB TYR 80 -3.230 7.778 7.838 624 HD1 TYR 80 1HD TYR 80 -0.852 10.439 6.812 625 HD2 TYR 80 2HD TYR 80 -4.863 9.023 6.696 626 HE1 TYR 80 1HE TYR 80 -1.573 12.578 5.833 627 HE2 TYR 80 2HE TYR 80 -5.594 11.157 5.716 628 HH TYR 80 HH TYR 80 -3.878 13.179 4.221 629 H GLU 81 H GLU 81 0.241 10.219 9.412 630 HA GLU 81 HA GLU 81 0.100 12.015 10.805 631 HB2 GLU 81 1HB GLU 81 -2.618 12.112 9.501 632 HB3 GLU 81 2HB GLU 81 -2.050 13.356 10.606 633 HG2 GLU 81 1HG GLU 81 -0.168 13.819 9.123 634 HG3 GLU 81 2HG GLU 81 -0.735 12.572 8.015 635 H GLY 82 H GLY 82 -0.512 9.438 11.920 636 HA2 GLY 82 1HA GLY 82 -0.908 9.087 14.262 637 HA3 GLY 82 2HA GLY 82 -2.138 10.341 14.201 638 H ILE 83 H ILE 83 -3.329 9.295 11.737 639 HA ILE 83 HA ILE 83 -5.182 7.497 12.927 640 HB ILE 83 HB ILE 83 -4.825 8.233 10.020 641 HG12 ILE 83 1HG1 ILE 83 -6.862 9.284 11.985 642 HG13 ILE 83 2HG1 ILE 83 -5.333 10.096 11.669 643 HG21 ILE 83 1HG2 ILE 83 -7.450 7.577 10.347 644 HG22 ILE 83 2HG2 ILE 83 -6.213 6.503 9.696 645 HG23 ILE 83 3HG2 ILE 83 -6.652 6.410 11.401 646 HD11 ILE 83 1HD1 ILE 83 -6.185 9.882 9.167 647 HD12 ILE 83 2HD1 ILE 83 -7.748 9.873 9.984 648 HD13 ILE 83 3HD1 ILE 83 -6.640 11.225 10.214 649 H PHE 84 H PHE 84 -5.444 5.319 12.689 650 HA PHE 84 HA PHE 84 -3.134 3.861 11.657 651 HB2 PHE 84 1HB PHE 84 -5.454 3.044 13.408 652 HB3 PHE 84 2HB PHE 84 -4.269 1.896 12.792 653 HD1 PHE 84 2HD PHE 84 -1.777 2.467 13.297 654 HD2 PHE 84 1HD PHE 84 -5.091 4.067 15.438 655 HE1 PHE 84 2HE PHE 84 -0.301 2.970 15.200 656 HE2 PHE 84 1HE PHE 84 -3.619 4.573 17.344 657 HZ PHE 84 HZ PHE 84 -1.221 4.023 17.227 658 H ILE 85 H ILE 85 -3.689 4.257 9.419 659 HA ILE 85 HA ILE 85 -6.121 3.262 8.307 660 HB ILE 85 HB ILE 85 -5.023 3.595 6.119 661 HG12 ILE 85 1HG1 ILE 85 -2.636 4.614 7.657 662 HG13 ILE 85 2HG1 ILE 85 -2.720 2.970 7.034 663 HG21 ILE 85 1HG2 ILE 85 -6.078 5.526 6.736 664 HG22 ILE 85 2HG2 ILE 85 -5.112 5.718 8.198 665 HG23 ILE 85 3HG2 ILE 85 -4.419 6.113 6.625 666 HD11 ILE 85 1HD1 ILE 85 -1.502 4.240 5.465 667 HD12 ILE 85 2HD1 ILE 85 -3.097 3.974 4.761 668 HD13 ILE 85 3HD1 ILE 85 -2.698 5.535 5.477 669 H LYS 86 H LYS 86 -6.513 1.383 7.183 670 HA LYS 86 HA LYS 86 -4.397 -0.662 7.233 671 HB2 LYS 86 1HB LYS 86 -7.193 -0.808 8.272 672 HB3 LYS 86 2HB LYS 86 -6.488 -2.252 7.558 673 HG2 LYS 86 1HG LYS 86 -5.895 -2.576 9.725 674 HG3 LYS 86 2HG LYS 86 -4.493 -1.651 9.181 675 HD2 LYS 86 1HD LYS 86 -5.146 0.250 10.298 676 HD3 LYS 86 2HD LYS 86 -6.856 -0.187 10.260 677 HE2 LYS 86 1HE LYS 86 -6.303 -2.042 11.869 678 HE3 LYS 86 2HE LYS 86 -4.698 -1.330 12.023 679 HZ1 LYS 86 1HZ LYS 86 -6.801 0.583 12.378 680 HZ2 LYS 86 2HZ LYS 86 -5.467 0.252 13.364 681 HZ3 LYS 86 3HZ LYS 86 -6.876 -0.674 13.508 682 H ASP 87 H ASP 87 -5.011 -2.570 5.792 683 HA ASP 87 HA ASP 87 -5.340 -1.659 3.158 684 HB2 ASP 87 1HB ASP 87 -5.805 -4.248 2.805 685 HB3 ASP 87 2HB ASP 87 -4.196 -3.648 3.198 686 H SER 88 H SER 88 -7.628 -2.759 5.534 687 HA SER 88 HA SER 88 -9.775 -3.361 3.798 688 HB2 SER 88 1HB SER 88 -9.482 -3.888 6.328 689 HB3 SER 88 2HB SER 88 -10.180 -2.288 6.578 690 HG SER 88 HG SER 88 -11.843 -3.768 6.559 691 H ASN 89 H ASN 89 -8.587 -0.379 5.184 692 HA ASN 89 HA ASN 89 -10.899 1.119 4.242 693 HB2 ASN 89 1HB ASN 89 -8.433 1.913 5.793 694 HB3 ASN 89 2HB ASN 89 -9.634 3.077 5.241 695 HD21 ASN 89 1HD2 ASN 89 -8.949 0.478 7.429 696 HD22 ASN 89 2HD2 ASN 89 -10.336 0.689 8.438 697 H SER 90 H SER 90 -10.928 2.433 2.496 698 HA SER 90 HA SER 90 -8.736 2.186 0.617 699 HB2 SER 90 1HB SER 90 -10.312 3.520 -0.875 700 HB3 SER 90 2HB SER 90 -10.896 1.940 -0.351 701 HG SER 90 HG SER 90 -11.537 4.394 0.923 702 H LEU 91 H LEU 91 -7.620 3.931 -0.321 703 HA LEU 91 HA LEU 91 -6.823 5.953 1.456 704 HB2 LEU 91 1HB LEU 91 -6.510 5.958 -1.540 705 HB3 LEU 91 2HB LEU 91 -5.536 6.845 -0.370 706 HG LEU 91 HG LEU 91 -5.061 4.354 0.486 707 HD11 LEU 91 1HD1 LEU 91 -4.614 3.169 -1.847 708 HD12 LEU 91 2HD1 LEU 91 -6.036 4.106 -2.302 709 HD13 LEU 91 3HD1 LEU 91 -6.125 2.964 -0.961 710 HD21 LEU 91 1HD2 LEU 91 -3.133 4.496 -1.358 711 HD22 LEU 91 2HD2 LEU 91 -3.161 5.518 0.079 712 HD23 LEU 91 3HD2 LEU 91 -3.743 6.148 -1.462 713 H ALA 92 H ALA 92 -8.909 6.087 -1.421 714 HA ALA 92 HA ALA 92 -9.439 8.791 -1.502 715 HB1 ALA 92 1HB ALA 92 -11.308 6.505 -2.113 716 HB2 ALA 92 2HB ALA 92 -11.581 8.185 -2.579 717 HB3 ALA 92 3HB ALA 92 -10.204 7.300 -3.236 718 H TYR 93 H TYR 93 -11.339 6.319 0.232 719 HA TYR 93 HA TYR 93 -13.296 7.773 1.377 720 HB2 TYR 93 1HB TYR 93 -13.084 5.409 1.822 721 HB3 TYR 93 2HB TYR 93 -11.593 5.666 2.721 722 HD1 TYR 93 1HD TYR 93 -11.713 6.977 4.894 723 HD2 TYR 93 2HD TYR 93 -15.170 5.503 2.899 724 HE1 TYR 93 1HE TYR 93 -13.002 7.198 6.977 725 HE2 TYR 93 2HE TYR 93 -16.469 5.721 4.976 726 HH TYR 93 HH TYR 93 -15.049 7.135 7.891 727 H TYR 94 H TYR 94 -10.106 7.350 2.921 728 HA TYR 94 HA TYR 94 -10.483 9.140 5.012 729 HB2 TYR 94 1HB TYR 94 -7.984 8.268 3.566 730 HB3 TYR 94 2HB TYR 94 -7.939 9.325 4.973 731 HD1 TYR 94 2HD TYR 94 -9.277 8.411 7.068 732 HD2 TYR 94 1HD TYR 94 -7.799 5.990 3.898 733 HE1 TYR 94 2HE TYR 94 -9.334 6.448 8.549 734 HE2 TYR 94 1HE TYR 94 -7.852 4.020 5.369 735 HH TYR 94 HH TYR 94 -8.163 3.287 7.455 736 H ASN 95 H ASN 95 -9.497 9.711 1.691 737 HA ASN 95 HA ASN 95 -9.505 11.629 0.450 738 HB2 ASN 95 1HB ASN 95 -10.218 13.349 2.783 739 HB3 ASN 95 2HB ASN 95 -10.766 13.442 1.112 740 HD21 ASN 95 1HD2 ASN 95 -12.227 11.710 0.390 741 HD22 ASN 95 2HD2 ASN 95 -13.374 11.086 1.521 742 H MET 96 H MET 96 -7.141 10.731 1.378 743 HA MET 96 HA MET 96 -5.604 12.492 2.915 744 HB2 MET 96 1HB MET 96 -4.791 10.583 0.720 745 HB3 MET 96 2HB MET 96 -3.646 11.429 1.753 746 HG2 MET 96 1HG MET 96 -4.451 10.299 3.692 747 HG3 MET 96 2HG MET 96 -5.792 9.597 2.789 748 HE1 MET 96 1HE MET 96 -4.351 7.523 4.429 749 HE2 MET 96 2HE MET 96 -5.528 7.147 3.170 750 HE3 MET 96 3HE MET 96 -3.990 6.285 3.226 751 H ALA 97 H ALA 97 -3.564 13.578 1.879 752 HA ALA 97 HA ALA 97 -4.418 15.145 -0.464 753 HB1 ALA 97 1HB ALA 97 -3.976 16.083 2.184 754 HB2 ALA 97 2HB ALA 97 -2.725 16.751 1.136 755 HB3 ALA 97 3HB ALA 97 -4.426 17.002 0.747 756 H SER 98 H SER 98 -2.894 15.551 -1.995 757 HA SER 98 HA SER 98 -0.830 13.920 -2.524 758 HB2 SER 98 1HB SER 98 0.160 15.690 -3.914 759 HB3 SER 98 2HB SER 98 -1.597 15.671 -4.073 760 HG SER 98 HG SER 98 -1.439 17.706 -3.575 761 H GLY 99 H GLY 99 1.467 13.978 -2.302 762 HA2 GLY 99 1HA GLY 99 3.423 14.194 -1.120 763 HA3 GLY 99 2HA GLY 99 2.855 15.790 -0.653 764 H ALA 100 H ALA 100 1.280 12.717 0.068 765 HA ALA 100 HA ALA 100 1.072 13.385 2.839 766 HB1 ALA 100 1HB ALA 100 0.569 10.594 2.065 767 HB2 ALA 100 2HB ALA 100 -0.450 11.733 2.947 768 HB3 ALA 100 3HB ALA 100 -0.370 11.801 1.186 769 H VAL 101 H VAL 101 1.664 11.629 4.506 770 HA VAL 101 HA VAL 101 4.219 10.337 3.917 771 HB VAL 101 HB VAL 101 4.780 12.574 4.814 772 HG11 VAL 101 1HG1 VAL 101 2.612 12.377 6.361 773 HG12 VAL 101 2HG1 VAL 101 3.830 11.839 7.520 774 HG13 VAL 101 3HG1 VAL 101 3.975 13.423 6.757 775 HG21 VAL 101 1HG2 VAL 101 5.428 10.160 6.489 776 HG22 VAL 101 2HG2 VAL 101 6.387 10.880 5.196 777 HG23 VAL 101 3HG2 VAL 101 6.200 11.727 6.732 778 H ILE 102 H ILE 102 3.696 8.284 4.346 779 HA ILE 102 HA ILE 102 1.991 7.647 6.622 780 HB ILE 102 HB ILE 102 3.181 5.812 4.538 781 HG12 ILE 102 1HG1 ILE 102 1.533 7.518 3.695 782 HG13 ILE 102 2HG1 ILE 102 1.040 5.845 3.459 783 HG21 ILE 102 1HG2 ILE 102 1.589 4.163 5.362 784 HG22 ILE 102 2HG2 ILE 102 2.675 4.682 6.649 785 HG23 ILE 102 3HG2 ILE 102 1.026 5.302 6.585 786 HD11 ILE 102 1HD1 ILE 102 0.112 7.053 5.960 787 HD12 ILE 102 2HD1 ILE 102 -0.532 7.785 4.490 788 HD13 ILE 102 3HD1 ILE 102 -0.747 6.060 4.784 789 H HIS 103 H HIS 103 2.898 7.379 8.544 790 HA HIS 103 HA HIS 103 5.702 6.752 8.814 791 HB2 HIS 103 1HB HIS 103 3.552 7.122 10.910 792 HB3 HIS 103 2HB HIS 103 5.274 6.963 11.240 793 HD1 HIS 103 1HD HIS 103 6.741 9.019 10.873 794 HD2 HIS 103 2HD HIS 103 2.777 9.597 9.771 795 HE1 HIS 103 1HE HIS 103 6.503 11.493 10.493 796 HE2 HIS 103 2HE HIS 103 4.076 11.829 9.910 797 H LEU 104 H LEU 104 6.585 4.822 9.232 798 HA LEU 104 HA LEU 104 4.824 2.507 9.352 799 HB2 LEU 104 1HB LEU 104 6.757 2.601 7.791 800 HB3 LEU 104 2HB LEU 104 7.832 2.612 9.188 801 HG LEU 104 HG LEU 104 6.875 0.375 9.817 802 HD11 LEU 104 1HD1 LEU 104 4.871 0.087 8.758 803 HD12 LEU 104 2HD1 LEU 104 5.933 -0.782 7.651 804 HD13 LEU 104 3HD1 LEU 104 5.417 0.861 7.270 805 HD21 LEU 104 1HD2 LEU 104 8.809 1.072 7.876 806 HD22 LEU 104 2HD2 LEU 104 7.954 -0.352 7.282 807 HD23 LEU 104 3HD2 LEU 104 8.729 -0.385 8.867 808 H ALA 105 H ALA 105 4.657 1.122 11.051 809 HA ALA 105 HA ALA 105 6.425 1.388 13.341 810 HB1 ALA 105 1HB ALA 105 3.505 1.572 13.929 811 HB2 ALA 105 2HB ALA 105 4.884 2.087 14.902 812 HB3 ALA 105 3HB ALA 105 4.400 3.027 13.491 813 H LEU 106 H LEU 106 6.123 -0.326 14.921 814 HA LEU 106 HA LEU 106 5.430 -2.813 13.636 815 HB2 LEU 106 1HB LEU 106 6.825 -1.982 16.106 816 HB3 LEU 106 2HB LEU 106 6.035 -3.556 16.140 817 HG LEU 106 HG LEU 106 8.166 -2.688 14.188 818 HD11 LEU 106 1HD1 LEU 106 8.251 -4.572 16.539 819 HD12 LEU 106 2HD1 LEU 106 9.079 -3.022 16.398 820 HD13 LEU 106 3HD1 LEU 106 9.543 -4.366 15.355 821 HD21 LEU 106 1HD2 LEU 106 6.226 -4.808 14.100 822 HD22 LEU 106 2HD2 LEU 106 7.859 -5.470 14.194 823 HD23 LEU 106 3HD2 LEU 106 7.436 -4.345 12.903 824 H LYS 107 H LYS 107 3.587 -3.905 13.841 825 HA LYS 107 HA LYS 107 1.337 -2.830 15.128 826 HB2 LYS 107 1HB LYS 107 1.086 -4.330 13.251 827 HB3 LYS 107 2HB LYS 107 1.883 -5.629 14.129 828 HG2 LYS 107 1HG LYS 107 0.018 -5.624 15.751 829 HG3 LYS 107 2HG LYS 107 -0.793 -4.406 14.765 830 HD2 LYS 107 1HD LYS 107 -0.750 -5.986 12.857 831 HD3 LYS 107 2HD LYS 107 -0.045 -7.206 13.921 832 HE2 LYS 107 1HE LYS 107 -2.242 -7.782 14.104 833 HE3 LYS 107 2HE LYS 107 -2.151 -6.595 15.405 834 HZ1 LYS 107 1HZ LYS 107 -4.073 -6.149 14.083 835 HZ2 LYS 107 2HZ LYS 107 -3.168 -6.142 12.654 836 HZ3 LYS 107 3HZ LYS 107 -2.950 -4.916 13.798 837 H GLU 108 H GLU 108 0.201 -3.480 16.978 838 HA GLU 108 HA GLU 108 1.831 -4.941 18.951 839 HB2 GLU 108 1HB GLU 108 -0.009 -2.584 19.248 840 HB3 GLU 108 2HB GLU 108 0.364 -3.617 20.622 841 HG2 GLU 108 1HG GLU 108 2.780 -3.168 20.213 842 HG3 GLU 108 2HG GLU 108 2.298 -1.999 18.985 843 H ARG 109 H ARG 109 1.065 -6.913 19.291 844 HA ARG 109 HA ARG 109 -1.680 -7.317 20.030 845 HB2 ARG 109 1HB ARG 109 -1.633 -7.360 17.474 846 HB3 ARG 109 2HB ARG 109 -0.716 -8.853 17.624 847 HG2 ARG 109 1HG ARG 109 -2.868 -9.624 17.364 848 HG3 ARG 109 2HG ARG 109 -2.689 -9.619 19.120 849 HD2 ARG 109 1HD ARG 109 -3.806 -7.242 17.678 850 HD3 ARG 109 2HD ARG 109 -4.831 -8.620 18.075 851 HE ARG 109 HE ARG 109 -3.940 -6.605 19.857 852 HH11 ARG 109 2HH1 ARG 109 -4.601 -10.018 19.669 853 HH12 ARG 109 1HH1 ARG 109 -4.968 -10.172 21.355 854 HH21 ARG 109 2HH2 ARG 109 -4.421 -6.795 22.079 855 HH22 ARG 109 1HH2 ARG 109 -4.865 -8.339 22.725 856 H SER 110 H SER 110 -2.032 -9.300 21.065 857 HA SER 110 HA SER 110 -0.152 -10.343 22.670 858 HB2 SER 110 1HB SER 110 -2.601 -10.960 22.617 859 HB3 SER 110 2HB SER 110 -2.212 -12.111 21.339 860 HG SER 110 HG SER 110 -1.337 -13.402 22.763 861 H GLY 111 H GLY 111 -0.899 -11.658 19.442 862 HA2 GLY 111 1HA GLY 111 1.022 -12.206 18.006 863 HA3 GLY 111 2HA GLY 111 1.803 -12.856 19.440 864 HA PRO 112 HA PRO 112 -1.539 -15.872 17.546 865 HB2 PRO 112 1HB PRO 112 -1.080 -16.135 14.883 866 HB3 PRO 112 2HB PRO 112 -2.245 -14.984 15.548 867 HG2 PRO 112 1HG PRO 112 0.560 -14.514 14.614 868 HG3 PRO 112 2HG PRO 112 -0.891 -13.535 14.334 869 HD2 PRO 112 1HD PRO 112 0.952 -12.902 16.213 870 HD3 PRO 112 2HD PRO 112 -0.775 -12.541 16.410 871 H SER 113 H SER 113 -0.479 -17.527 18.527 872 HA SER 113 HA SER 113 2.130 -18.350 18.173 873 HB2 SER 113 1HB SER 113 0.537 -19.150 19.948 874 HB3 SER 113 2HB SER 113 -0.190 -20.209 18.740 875 HG SER 113 HG SER 113 2.470 -20.260 19.718 876 H SER 114 H SER 114 -0.744 -19.814 16.644 877 HA SER 114 HA SER 114 1.005 -20.693 14.440 878 HB2 SER 114 1HB SER 114 -0.553 -22.625 14.160 879 HB3 SER 114 2HB SER 114 0.303 -22.637 15.702 880 HG SER 114 HG SER 114 -1.860 -21.296 16.175 881 H GLY 115 H GLY 115 0.246 -20.479 12.351 882 HA2 GLY 115 1HA GLY 115 -2.183 -20.101 11.297 883 HA3 GLY 115 2HA GLY 115 -1.884 -18.528 12.020 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -7.870 38.037 12.976 2 HA2 GLY 1 1HA GLY 1 -10.194 37.541 13.916 3 HA3 GLY 1 2HA GLY 1 -10.658 37.437 12.225 4 H SER 2 H SER 2 -10.130 35.575 14.767 5 HA SER 2 HA SER 2 -8.589 33.505 13.386 6 HB2 SER 2 1HB SER 2 -8.301 32.458 15.489 7 HB3 SER 2 2HB SER 2 -8.152 34.184 15.819 8 HG SER 2 HG SER 2 -9.705 33.895 17.191 9 H SER 3 H SER 3 -9.382 31.375 13.142 10 HA SER 3 HA SER 3 -12.143 30.781 13.720 11 HB2 SER 3 1HB SER 3 -12.388 32.071 11.647 12 HB3 SER 3 2HB SER 3 -11.231 31.012 10.841 13 HG SER 3 HG SER 3 -12.924 29.348 11.731 14 H GLY 4 H GLY 4 -12.554 28.604 13.760 15 HA2 GLY 4 1HA GLY 4 -10.798 26.705 12.495 16 HA3 GLY 4 2HA GLY 4 -10.579 26.791 14.236 17 H SER 5 H SER 5 -11.481 24.526 12.713 18 HA SER 5 HA SER 5 -14.309 24.313 13.450 19 HB2 SER 5 1HB SER 5 -12.523 22.689 11.645 20 HB3 SER 5 2HB SER 5 -14.098 22.093 12.168 21 HG SER 5 HG SER 5 -13.901 23.377 10.105 22 H SER 6 H SER 6 -14.965 22.089 14.290 23 HA SER 6 HA SER 6 -13.131 21.374 16.472 24 HB2 SER 6 1HB SER 6 -15.246 22.146 17.306 25 HB3 SER 6 2HB SER 6 -16.130 21.092 16.203 26 HG SER 6 HG SER 6 -15.615 20.490 18.595 27 H GLY 7 H GLY 7 -11.855 19.787 15.643 28 HA2 GLY 7 1HA GLY 7 -11.443 17.492 15.384 29 HA3 GLY 7 2HA GLY 7 -13.160 17.236 15.115 30 H THR 8 H THR 8 -10.152 17.366 13.669 31 HA THR 8 HA THR 8 -10.784 18.377 11.108 32 HB THR 8 HB THR 8 -8.757 17.099 10.352 33 HG1 THR 8 1HG THR 8 -8.622 16.378 13.110 34 HG21 THR 8 1HG2 THR 8 -7.536 18.847 11.024 35 HG22 THR 8 2HG2 THR 8 -7.687 18.390 12.721 36 HG23 THR 8 3HG2 THR 8 -8.944 19.359 11.953 37 H GLU 9 H GLU 9 -10.439 15.005 12.230 38 HA GLU 9 HA GLU 9 -11.583 13.975 9.798 39 HB2 GLU 9 1HB GLU 9 -10.764 12.659 12.388 40 HB3 GLU 9 2HB GLU 9 -11.441 11.773 11.029 41 HG2 GLU 9 1HG GLU 9 -9.100 11.535 10.896 42 HG3 GLU 9 2HG GLU 9 -9.563 12.673 9.632 43 H ASP 10 H ASP 10 -13.330 15.763 11.047 44 HA ASP 10 HA ASP 10 -15.428 14.025 12.154 45 HB2 ASP 10 1HB ASP 10 -14.620 16.099 13.425 46 HB3 ASP 10 2HB ASP 10 -15.446 17.038 12.185 47 H SER 11 H SER 11 -14.953 16.703 9.862 48 HA SER 11 HA SER 11 -17.405 15.842 8.475 49 HB2 SER 11 1HB SER 11 -17.165 18.244 9.440 50 HB3 SER 11 2HB SER 11 -16.105 18.522 8.059 51 HG SER 11 HG SER 11 -17.858 17.841 6.717 52 H LEU 12 H LEU 12 -15.112 14.395 8.003 53 HA LEU 12 HA LEU 12 -13.474 15.255 5.920 54 HB2 LEU 12 1HB LEU 12 -14.374 12.555 6.847 55 HB3 LEU 12 2HB LEU 12 -13.367 12.718 5.410 56 HG LEU 12 HG LEU 12 -12.511 13.899 8.030 57 HD11 LEU 12 1HD1 LEU 12 -11.962 11.938 8.931 58 HD12 LEU 12 2HD1 LEU 12 -11.335 11.316 7.405 59 HD13 LEU 12 3HD1 LEU 12 -13.060 11.214 7.756 60 HD21 LEU 12 1HD2 LEU 12 -10.409 13.991 7.083 61 HD22 LEU 12 2HD2 LEU 12 -11.443 14.321 5.693 62 HD23 LEU 12 3HD2 LEU 12 -10.759 12.711 5.921 63 H MET 13 H MET 13 -13.573 15.099 3.699 64 HA MET 13 HA MET 13 -16.120 15.349 2.504 65 HB2 MET 13 1HB MET 13 -13.309 15.273 1.550 66 HB3 MET 13 2HB MET 13 -14.561 14.932 0.364 67 HG2 MET 13 1HG MET 13 -14.168 17.226 0.193 68 HG3 MET 13 2HG MET 13 -15.660 17.085 1.118 69 HE1 MET 13 1HE MET 13 -16.168 18.483 2.505 70 HE2 MET 13 2HE MET 13 -15.377 18.810 4.047 71 HE3 MET 13 3HE MET 13 -15.126 19.896 2.679 72 HA PRO 14 HA PRO 14 -17.271 11.261 1.406 73 HB2 PRO 14 1HB PRO 14 -18.235 11.561 -1.114 74 HB3 PRO 14 2HB PRO 14 -19.086 12.156 0.317 75 HG2 PRO 14 1HG PRO 14 -17.355 13.650 -1.615 76 HG3 PRO 14 2HG PRO 14 -18.902 14.131 -0.896 77 HD2 PRO 14 1HD PRO 14 -16.524 15.045 0.021 78 HD3 PRO 14 2HD PRO 14 -17.922 14.788 1.084 79 H GLU 15 H GLU 15 -17.231 9.801 -0.806 80 HA GLU 15 HA GLU 15 -14.377 9.532 -1.379 81 HB2 GLU 15 1HB GLU 15 -15.859 7.612 -0.534 82 HB3 GLU 15 2HB GLU 15 -16.532 7.580 -2.158 83 HG2 GLU 15 1HG GLU 15 -14.199 7.270 -3.017 84 HG3 GLU 15 2HG GLU 15 -13.686 7.064 -1.343 85 H GLU 16 H GLU 16 -17.494 9.695 -3.068 86 HA GLU 16 HA GLU 16 -16.488 9.530 -5.683 87 HB2 GLU 16 1HB GLU 16 -18.637 10.538 -6.366 88 HB3 GLU 16 2HB GLU 16 -18.848 9.223 -5.219 89 HG2 GLU 16 1HG GLU 16 -18.954 11.019 -3.423 90 HG3 GLU 16 2HG GLU 16 -19.125 12.170 -4.746 91 H GLU 17 H GLU 17 -17.475 12.420 -3.838 92 HA GLU 17 HA GLU 17 -16.612 14.299 -5.728 93 HB2 GLU 17 1HB GLU 17 -18.035 14.512 -3.495 94 HB3 GLU 17 2HB GLU 17 -16.475 14.968 -2.826 95 HG2 GLU 17 1HG GLU 17 -17.422 16.293 -5.316 96 HG3 GLU 17 2HG GLU 17 -18.114 16.771 -3.767 97 H PHE 18 H PHE 18 -14.970 13.026 -2.843 98 HA PHE 18 HA PHE 18 -12.698 14.428 -2.684 99 HB2 PHE 18 1HB PHE 18 -12.858 12.611 -1.216 100 HB3 PHE 18 2HB PHE 18 -13.115 11.458 -2.522 101 HD1 PHE 18 2HD PHE 18 -10.584 13.596 -0.888 102 HD2 PHE 18 1HD PHE 18 -11.311 10.343 -3.534 103 HE1 PHE 18 2HE PHE 18 -8.185 13.049 -0.870 104 HE2 PHE 18 1HE PHE 18 -8.914 9.790 -3.519 105 HZ PHE 18 HZ PHE 18 -7.347 11.145 -2.187 106 H LEU 19 H LEU 19 -12.924 11.601 -4.852 107 HA LEU 19 HA LEU 19 -10.545 11.819 -6.167 108 HB2 LEU 19 1HB LEU 19 -13.165 11.163 -7.501 109 HB3 LEU 19 2HB LEU 19 -11.558 10.675 -8.034 110 HG LEU 19 HG LEU 19 -12.749 9.782 -5.417 111 HD11 LEU 19 1HD1 LEU 19 -13.761 9.124 -7.898 112 HD12 LEU 19 2HD1 LEU 19 -13.962 8.202 -6.408 113 HD13 LEU 19 3HD1 LEU 19 -12.663 7.794 -7.529 114 HD21 LEU 19 1HD2 LEU 19 -10.678 8.354 -7.031 115 HD22 LEU 19 2HD2 LEU 19 -10.992 8.287 -5.297 116 HD23 LEU 19 3HD2 LEU 19 -10.217 9.708 -5.999 117 H ARG 20 H ARG 20 -13.472 13.693 -6.738 118 HA ARG 20 HA ARG 20 -12.630 14.970 -9.107 119 HB2 ARG 20 1HB ARG 20 -14.492 16.132 -7.035 120 HB3 ARG 20 2HB ARG 20 -14.446 16.492 -8.756 121 HG2 ARG 20 1HG ARG 20 -14.955 13.686 -7.933 122 HG3 ARG 20 2HG ARG 20 -16.246 14.870 -7.717 123 HD2 ARG 20 1HD ARG 20 -14.808 14.750 -10.326 124 HD3 ARG 20 2HD ARG 20 -16.012 13.516 -9.956 125 HE ARG 20 HE ARG 20 -16.493 16.304 -10.533 126 HH11 ARG 20 2HH1 ARG 20 -17.752 13.373 -9.138 127 HH12 ARG 20 1HH1 ARG 20 -19.409 13.855 -9.296 128 HH21 ARG 20 2HH2 ARG 20 -18.670 16.950 -10.746 129 HH22 ARG 20 1HH2 ARG 20 -19.930 15.890 -10.212 130 H ARG 21 H ARG 21 -12.129 15.687 -5.707 131 HA ARG 21 HA ARG 21 -11.091 18.304 -6.071 132 HB2 ARG 21 1HB ARG 21 -11.185 16.325 -3.853 133 HB3 ARG 21 2HB ARG 21 -9.980 17.601 -3.743 134 HG2 ARG 21 1HG ARG 21 -11.755 19.279 -3.980 135 HG3 ARG 21 2HG ARG 21 -12.952 17.983 -4.040 136 HD2 ARG 21 1HD ARG 21 -11.973 17.242 -1.789 137 HD3 ARG 21 2HD ARG 21 -11.213 18.832 -1.746 138 HE ARG 21 HE ARG 21 -14.027 18.230 -1.423 139 HH11 ARG 21 2HH1 ARG 21 -11.610 20.661 -2.035 140 HH12 ARG 21 1HH1 ARG 21 -12.620 21.977 -1.535 141 HH21 ARG 21 2HH2 ARG 21 -15.365 19.954 -0.762 142 HH22 ARG 21 1HH2 ARG 21 -14.755 21.574 -0.810 143 H ASN 22 H ASN 22 -9.390 15.291 -5.185 144 HA ASN 22 HA ASN 22 -6.853 16.430 -5.959 145 HB2 ASN 22 1HB ASN 22 -5.975 14.155 -5.326 146 HB3 ASN 22 2HB ASN 22 -6.834 14.997 -4.039 147 HD21 ASN 22 1HD2 ASN 22 -8.890 14.283 -3.429 148 HD22 ASN 22 2HD2 ASN 22 -9.449 12.696 -3.820 149 H LYS 23 H LYS 23 -5.947 16.299 -7.900 150 HA LYS 23 HA LYS 23 -7.259 14.924 -10.041 151 HB2 LYS 23 1HB LYS 23 -5.838 17.139 -10.046 152 HB3 LYS 23 2HB LYS 23 -4.492 16.034 -10.295 153 HG2 LYS 23 1HG LYS 23 -5.099 16.650 -12.445 154 HG3 LYS 23 2HG LYS 23 -5.890 15.086 -12.228 155 HD2 LYS 23 1HD LYS 23 -7.665 16.242 -13.049 156 HD3 LYS 23 2HD LYS 23 -7.852 16.667 -11.346 157 HE2 LYS 23 1HE LYS 23 -6.079 18.387 -12.980 158 HE3 LYS 23 2HE LYS 23 -7.808 18.485 -13.307 159 HZ1 LYS 23 1HZ LYS 23 -6.848 18.643 -10.533 160 HZ2 LYS 23 2HZ LYS 23 -8.249 19.296 -11.220 161 HZ3 LYS 23 3HZ LYS 23 -6.746 20.010 -11.525 162 H GLY 24 H GLY 24 -4.333 14.412 -8.138 163 HA2 GLY 24 1HA GLY 24 -3.053 12.526 -7.841 164 HA3 GLY 24 2HA GLY 24 -4.347 11.617 -8.607 165 HA PRO 25 HA PRO 25 -2.580 10.042 -8.373 166 HB2 PRO 25 1HB PRO 25 0.011 9.231 -8.360 167 HB3 PRO 25 2HB PRO 25 -1.189 8.593 -9.490 168 HG2 PRO 25 1HG PRO 25 0.883 10.709 -9.924 169 HG3 PRO 25 2HG PRO 25 0.404 9.377 -10.991 170 HD2 PRO 25 1HD PRO 25 -0.470 11.915 -11.346 171 HD3 PRO 25 2HD PRO 25 -1.455 10.499 -11.764 172 H VAL 26 H VAL 26 -1.250 9.746 -6.318 173 HA VAL 26 HA VAL 26 -0.290 12.381 -5.413 174 HB VAL 26 HB VAL 26 -0.944 11.691 -3.136 175 HG11 VAL 26 1HG1 VAL 26 -3.077 11.654 -5.260 176 HG12 VAL 26 2HG1 VAL 26 -3.430 11.740 -3.533 177 HG13 VAL 26 3HG1 VAL 26 -2.513 13.030 -4.312 178 HG21 VAL 26 1HG2 VAL 26 -1.480 9.597 -2.615 179 HG22 VAL 26 2HG2 VAL 26 -2.713 9.538 -3.874 180 HG23 VAL 26 3HG2 VAL 26 -1.039 9.136 -4.259 181 H SER 27 H SER 27 1.504 12.478 -4.022 182 HA SER 27 HA SER 27 3.259 10.124 -4.195 183 HB2 SER 27 1HB SER 27 4.345 11.903 -5.285 184 HB3 SER 27 2HB SER 27 3.823 13.079 -4.079 185 HG SER 27 HG SER 27 5.377 11.000 -3.126 186 H ILE 28 H ILE 28 3.059 8.966 -2.379 187 HA ILE 28 HA ILE 28 2.971 10.381 0.196 188 HB ILE 28 HB ILE 28 2.009 8.456 1.174 189 HG12 ILE 28 1HG1 ILE 28 1.643 6.438 -0.555 190 HG13 ILE 28 2HG1 ILE 28 3.143 7.086 -1.209 191 HG21 ILE 28 1HG2 ILE 28 0.874 9.004 -1.554 192 HG22 ILE 28 2HG2 ILE 28 0.074 7.954 -0.387 193 HG23 ILE 28 3HG2 ILE 28 0.352 9.651 0.001 194 HD11 ILE 28 1HD1 ILE 28 3.119 6.722 1.699 195 HD12 ILE 28 2HD1 ILE 28 2.998 5.240 0.750 196 HD13 ILE 28 3HD1 ILE 28 4.361 6.333 0.510 197 H LYS 29 H LYS 29 4.550 10.156 1.679 198 HA LYS 29 HA LYS 29 6.897 8.580 0.896 199 HB2 LYS 29 1HB LYS 29 6.904 11.132 1.516 200 HB3 LYS 29 2HB LYS 29 6.898 10.530 3.169 201 HG2 LYS 29 1HG LYS 29 8.945 9.278 2.726 202 HG3 LYS 29 2HG LYS 29 8.950 9.872 1.064 203 HD2 LYS 29 1HD LYS 29 8.903 12.218 2.151 204 HD3 LYS 29 2HD LYS 29 9.428 11.377 3.612 205 HE2 LYS 29 1HE LYS 29 10.856 10.971 1.010 206 HE3 LYS 29 2HE LYS 29 11.209 12.372 2.020 207 HZ1 LYS 29 1HZ LYS 29 12.721 10.868 2.799 208 HZ2 LYS 29 2HZ LYS 29 11.718 9.531 2.544 209 HZ3 LYS 29 3HZ LYS 29 11.438 10.559 3.858 210 H VAL 30 H VAL 30 7.357 6.747 1.910 211 HA VAL 30 HA VAL 30 5.908 6.087 4.366 212 HB VAL 30 HB VAL 30 7.479 4.360 2.453 213 HG11 VAL 30 1HG1 VAL 30 6.226 2.566 3.976 214 HG12 VAL 30 2HG1 VAL 30 7.851 3.151 4.341 215 HG13 VAL 30 3HG1 VAL 30 6.458 3.831 5.183 216 HG21 VAL 30 1HG2 VAL 30 4.753 3.586 2.907 217 HG22 VAL 30 2HG2 VAL 30 4.827 5.279 2.419 218 HG23 VAL 30 3HG2 VAL 30 5.549 4.035 1.399 219 H GLN 31 H GLN 31 6.930 6.716 6.160 220 HA GLN 31 HA GLN 31 9.774 6.962 6.330 221 HB2 GLN 31 1HB GLN 31 7.926 8.271 7.610 222 HB3 GLN 31 2HB GLN 31 7.958 6.905 8.718 223 HG2 GLN 31 1HG GLN 31 9.376 8.871 9.362 224 HG3 GLN 31 2HG GLN 31 10.201 7.314 9.316 225 HE21 GLN 31 1HE2 GLN 31 11.800 6.963 7.832 226 HE22 GLN 31 2HE2 GLN 31 12.449 8.207 6.823 227 H VAL 32 H VAL 32 10.978 5.167 6.286 228 HA VAL 32 HA VAL 32 10.077 2.771 7.692 229 HB VAL 32 HB VAL 32 12.492 3.171 5.920 230 HG11 VAL 32 1HG1 VAL 32 13.119 1.066 6.352 231 HG12 VAL 32 2HG1 VAL 32 12.097 1.204 7.784 232 HG13 VAL 32 3HG1 VAL 32 11.462 0.466 6.313 233 HG21 VAL 32 1HG2 VAL 32 11.029 3.107 4.242 234 HG22 VAL 32 2HG2 VAL 32 10.709 1.432 4.689 235 HG23 VAL 32 3HG2 VAL 32 9.694 2.724 5.329 236 HA PRO 33 HA PRO 33 12.637 4.116 11.130 237 HB2 PRO 33 1HB PRO 33 11.793 2.167 12.820 238 HB3 PRO 33 2HB PRO 33 10.849 3.623 12.487 239 HG2 PRO 33 1HG PRO 33 10.564 0.875 11.333 240 HG3 PRO 33 2HG PRO 33 9.303 1.992 11.888 241 HD2 PRO 33 1HD PRO 33 9.920 1.676 9.271 242 HD3 PRO 33 2HD PRO 33 9.358 3.221 9.939 243 H ASN 34 H ASN 34 14.380 3.176 12.347 244 HA ASN 34 HA ASN 34 15.703 1.022 10.882 245 HB2 ASN 34 1HB ASN 34 17.722 1.868 11.627 246 HB3 ASN 34 2HB ASN 34 16.750 3.336 11.566 247 HD21 ASN 34 1HD2 ASN 34 16.211 4.374 13.438 248 HD22 ASN 34 2HD2 ASN 34 16.858 3.943 14.981 249 H MET 35 H MET 35 15.471 -0.982 11.602 250 HA MET 35 HA MET 35 15.079 -1.411 14.488 251 HB2 MET 35 1HB MET 35 14.098 -2.859 12.060 252 HB3 MET 35 2HB MET 35 14.295 -3.745 13.567 253 HG2 MET 35 1HG MET 35 12.567 -1.320 13.137 254 HG3 MET 35 2HG MET 35 12.017 -2.984 13.315 255 HE1 MET 35 1HE MET 35 10.662 -1.290 16.371 256 HE2 MET 35 2HE MET 35 11.618 0.044 15.727 257 HE3 MET 35 3HE MET 35 10.705 -0.995 14.632 258 H GLN 36 H GLN 36 17.182 -1.566 15.182 259 HA GLN 36 HA GLN 36 18.959 -3.464 13.846 260 HB2 GLN 36 1HB GLN 36 19.937 -1.315 14.352 261 HB3 GLN 36 2HB GLN 36 19.452 -1.444 16.037 262 HG2 GLN 36 1HG GLN 36 21.645 -2.024 16.201 263 HG3 GLN 36 2HG GLN 36 20.921 -3.614 15.965 264 HE21 GLN 36 1HE2 GLN 36 23.036 -4.253 15.241 265 HE22 GLN 36 2HE2 GLN 36 23.519 -3.935 13.613 266 H ASP 37 H ASP 37 17.402 -2.883 16.959 267 HA ASP 37 HA ASP 37 18.458 -4.617 18.682 268 HB2 ASP 37 1HB ASP 37 15.501 -4.427 18.070 269 HB3 ASP 37 2HB ASP 37 16.186 -5.115 19.540 270 H LYS 38 H LYS 38 15.797 -5.802 16.630 271 HA LYS 38 HA LYS 38 17.189 -8.033 15.618 272 HB2 LYS 38 1HB LYS 38 16.832 -8.511 18.181 273 HB3 LYS 38 2HB LYS 38 15.199 -8.917 17.670 274 HG2 LYS 38 1HG LYS 38 17.590 -10.137 16.341 275 HG3 LYS 38 2HG LYS 38 16.926 -10.799 17.836 276 HD2 LYS 38 1HD LYS 38 14.690 -10.878 16.653 277 HD3 LYS 38 2HD LYS 38 15.568 -10.526 15.163 278 HE2 LYS 38 1HE LYS 38 16.996 -12.535 15.654 279 HE3 LYS 38 2HE LYS 38 15.882 -12.920 16.965 280 HZ1 LYS 38 1HZ LYS 38 14.987 -14.135 15.275 281 HZ2 LYS 38 2HZ LYS 38 15.459 -13.048 14.068 282 HZ3 LYS 38 3HZ LYS 38 14.131 -12.692 15.054 283 H THR 39 H THR 39 16.183 -8.391 13.764 284 HA THR 39 HA THR 39 13.442 -9.008 13.544 285 HB THR 39 HB THR 39 13.204 -6.557 13.906 286 HG1 THR 39 1HG THR 39 12.099 -6.317 11.668 287 HG21 THR 39 1HG2 THR 39 13.812 -5.183 11.788 288 HG22 THR 39 2HG2 THR 39 14.964 -6.483 11.482 289 HG23 THR 39 3HG2 THR 39 15.071 -5.540 12.968 290 H GLU 40 H GLU 40 12.809 -9.537 11.377 291 HA GLU 40 HA GLU 40 15.122 -9.963 9.610 292 HB2 GLU 40 1HB GLU 40 13.686 -11.763 8.586 293 HB3 GLU 40 2HB GLU 40 14.184 -12.055 10.247 294 HG2 GLU 40 1HG GLU 40 12.017 -11.416 11.064 295 HG3 GLU 40 2HG GLU 40 11.506 -10.943 9.445 296 H TRP 41 H TRP 41 14.069 -7.466 9.486 297 HA TRP 41 HA TRP 41 12.720 -7.496 6.873 298 HB2 TRP 41 1HB TRP 41 12.101 -5.558 9.113 299 HB3 TRP 41 2HB TRP 41 11.347 -5.593 7.521 300 HD1 TRP 41 HD TRP 41 10.814 -8.758 7.385 301 HE1 TRP 41 1HE TRP 41 8.952 -9.766 8.848 302 HE3 TRP 41 3HE TRP 41 10.447 -5.060 10.896 303 HZ2 TRP 41 2HZ TRP 41 7.516 -9.084 11.180 304 HZ3 TRP 41 3HZ TRP 41 8.804 -5.314 12.710 305 HH2 TRP 41 HH TRP 41 7.369 -7.285 12.847 306 H LYS 42 H LYS 42 13.198 -5.735 5.497 307 HA LYS 42 HA LYS 42 15.866 -4.733 5.798 308 HB2 LYS 42 1HB LYS 42 13.733 -4.283 3.711 309 HB3 LYS 42 2HB LYS 42 15.326 -3.542 3.628 310 HG2 LYS 42 1HG LYS 42 15.152 -6.491 3.960 311 HG3 LYS 42 2HG LYS 42 14.791 -5.791 2.381 312 HD2 LYS 42 1HD LYS 42 17.300 -5.148 3.916 313 HD3 LYS 42 2HD LYS 42 17.194 -6.491 2.775 314 HE2 LYS 42 1HE LYS 42 16.380 -4.771 1.082 315 HE3 LYS 42 2HE LYS 42 16.921 -3.547 2.230 316 HZ1 LYS 42 1HZ LYS 42 18.687 -3.893 0.734 317 HZ2 LYS 42 2HZ LYS 42 18.566 -5.577 0.834 318 HZ3 LYS 42 3HZ LYS 42 19.140 -4.692 2.156 319 H LEU 43 H LEU 43 14.655 -3.771 7.953 320 HA LEU 43 HA LEU 43 13.809 -1.028 7.374 321 HB2 LEU 43 1HB LEU 43 13.748 -2.637 9.921 322 HB3 LEU 43 2HB LEU 43 13.216 -0.962 9.784 323 HG LEU 43 HG LEU 43 11.967 -3.356 8.437 324 HD11 LEU 43 1HD1 LEU 43 10.558 -1.577 10.358 325 HD12 LEU 43 2HD1 LEU 43 11.675 -2.786 10.990 326 HD13 LEU 43 3HD1 LEU 43 10.303 -3.285 10.000 327 HD21 LEU 43 1HD2 LEU 43 11.151 -0.453 8.363 328 HD22 LEU 43 2HD2 LEU 43 10.275 -1.802 7.639 329 HD23 LEU 43 3HD2 LEU 43 11.868 -1.354 7.026 330 H ASN 44 H ASN 44 15.673 0.077 6.948 331 HA ASN 44 HA ASN 44 17.528 0.363 9.205 332 HB2 ASN 44 1HB ASN 44 18.320 0.042 6.301 333 HB3 ASN 44 2HB ASN 44 19.424 0.494 7.597 334 HD21 ASN 44 1HD2 ASN 44 19.235 -1.870 5.766 335 HD22 ASN 44 2HD2 ASN 44 19.293 -3.239 6.818 336 H GLY 45 H GLY 45 16.041 2.243 9.480 337 HA2 GLY 45 1HA GLY 45 15.369 4.433 9.021 338 HA3 GLY 45 2HA GLY 45 17.109 4.650 9.138 339 H GLN 46 H GLN 46 14.409 4.229 6.941 340 HA GLN 46 HA GLN 46 15.813 5.755 4.924 341 HB2 GLN 46 1HB GLN 46 15.548 4.117 3.151 342 HB3 GLN 46 2HB GLN 46 16.521 3.441 4.450 343 HG2 GLN 46 1HG GLN 46 14.450 2.322 5.298 344 HG3 GLN 46 2HG GLN 46 13.641 2.856 3.826 345 HE21 GLN 46 1HE2 GLN 46 13.438 0.374 3.898 346 HE22 GLN 46 2HE2 GLN 46 14.636 -0.492 3.004 347 H GLY 47 H GLY 47 14.308 5.924 2.893 348 HA2 GLY 47 1HA GLY 47 11.510 6.094 3.819 349 HA3 GLY 47 2HA GLY 47 12.276 7.434 2.980 350 H LEU 48 H LEU 48 10.029 5.289 2.477 351 HA LEU 48 HA LEU 48 10.880 4.639 -0.268 352 HB2 LEU 48 1HB LEU 48 8.783 3.270 1.409 353 HB3 LEU 48 2HB LEU 48 9.289 2.803 -0.213 354 HG LEU 48 HG LEU 48 11.028 2.703 2.252 355 HD11 LEU 48 1HD1 LEU 48 10.638 0.425 2.384 356 HD12 LEU 48 2HD1 LEU 48 10.017 0.330 0.736 357 HD13 LEU 48 3HD1 LEU 48 9.039 1.068 2.006 358 HD21 LEU 48 1HD2 LEU 48 12.447 1.287 0.691 359 HD22 LEU 48 2HD2 LEU 48 12.442 3.027 0.399 360 HD23 LEU 48 3HD2 LEU 48 11.482 1.958 -0.625 361 H VAL 49 H VAL 49 9.987 5.902 -1.747 362 HA VAL 49 HA VAL 49 7.315 7.025 -1.229 363 HB VAL 49 HB VAL 49 9.432 8.030 -3.136 364 HG11 VAL 49 1HG1 VAL 49 8.004 9.674 -3.807 365 HG12 VAL 49 2HG1 VAL 49 6.828 8.400 -3.478 366 HG13 VAL 49 3HG1 VAL 49 7.109 9.671 -2.287 367 HG21 VAL 49 1HG2 VAL 49 9.436 8.251 -0.404 368 HG22 VAL 49 2HG2 VAL 49 10.248 9.348 -1.521 369 HG23 VAL 49 3HG2 VAL 49 8.642 9.742 -0.908 370 H PHE 50 H PHE 50 5.686 6.778 -2.695 371 HA PHE 50 HA PHE 50 6.212 5.563 -5.278 372 HB2 PHE 50 1HB PHE 50 4.271 4.217 -3.401 373 HB3 PHE 50 2HB PHE 50 4.833 3.643 -4.967 374 HD1 PHE 50 1HD PHE 50 7.349 3.126 -5.175 375 HD2 PHE 50 2HD PHE 50 5.305 3.500 -1.461 376 HE1 PHE 50 1HE PHE 50 9.138 1.853 -4.066 377 HE2 PHE 50 2HE PHE 50 7.091 2.228 -0.346 378 HZ PHE 50 HZ PHE 50 9.011 1.403 -1.648 379 H THR 51 H THR 51 5.119 6.794 -6.644 380 HA THR 51 HA THR 51 2.767 8.252 -5.776 381 HB THR 51 HB THR 51 2.876 9.009 -8.287 382 HG1 THR 51 1HG THR 51 5.308 8.929 -8.764 383 HG21 THR 51 1HG2 THR 51 3.326 10.527 -6.485 384 HG22 THR 51 2HG2 THR 51 4.623 10.691 -7.669 385 HG23 THR 51 3HG2 THR 51 4.895 9.782 -6.183 386 H LEU 52 H LEU 52 0.752 7.568 -6.047 387 HA LEU 52 HA LEU 52 0.029 5.967 -8.357 388 HB2 LEU 52 1HB LEU 52 -0.667 4.971 -5.608 389 HB3 LEU 52 2HB LEU 52 -0.910 4.156 -7.152 390 HG LEU 52 HG LEU 52 1.832 4.755 -6.073 391 HD11 LEU 52 1HD1 LEU 52 0.432 2.121 -5.754 392 HD12 LEU 52 2HD1 LEU 52 0.374 3.364 -4.504 393 HD13 LEU 52 3HD1 LEU 52 1.924 2.681 -4.998 394 HD21 LEU 52 1HD2 LEU 52 0.974 2.549 -7.919 395 HD22 LEU 52 2HD2 LEU 52 2.589 3.209 -7.658 396 HD23 LEU 52 3HD2 LEU 52 1.376 4.159 -8.518 397 HA PRO 53 HA PRO 53 -3.640 8.374 -8.070 398 HB2 PRO 53 1HB PRO 53 -5.341 6.786 -9.467 399 HB3 PRO 53 2HB PRO 53 -4.061 7.731 -10.235 400 HG2 PRO 53 1HG PRO 53 -4.093 4.828 -9.505 401 HG3 PRO 53 2HG PRO 53 -3.498 5.603 -10.985 402 HD2 PRO 53 1HD PRO 53 -1.847 4.807 -8.993 403 HD3 PRO 53 2HD PRO 53 -1.503 6.220 -10.010 404 H LEU 54 H LEU 54 -5.893 8.289 -7.321 405 HA LEU 54 HA LEU 54 -6.141 6.484 -5.043 406 HB2 LEU 54 1HB LEU 54 -7.566 8.998 -5.864 407 HB3 LEU 54 2HB LEU 54 -8.144 7.984 -4.544 408 HG LEU 54 HG LEU 54 -6.919 9.801 -3.603 409 HD11 LEU 54 1HD1 LEU 54 -5.718 8.587 -2.132 410 HD12 LEU 54 2HD1 LEU 54 -4.802 7.761 -3.392 411 HD13 LEU 54 3HD1 LEU 54 -6.436 7.228 -2.997 412 HD21 LEU 54 1HD2 LEU 54 -5.642 10.463 -5.560 413 HD22 LEU 54 2HD2 LEU 54 -4.662 9.002 -5.438 414 HD23 LEU 54 3HD2 LEU 54 -4.571 10.233 -4.177 415 H THR 55 H THR 55 -6.674 4.570 -6.173 416 HA THR 55 HA THR 55 -9.447 4.530 -7.166 417 HB THR 55 HB THR 55 -8.692 2.594 -8.647 418 HG1 THR 55 1HG THR 55 -6.224 3.583 -7.718 419 HG21 THR 55 1HG2 THR 55 -7.385 5.175 -9.443 420 HG22 THR 55 2HG2 THR 55 -9.139 5.049 -9.316 421 HG23 THR 55 3HG2 THR 55 -8.261 4.019 -10.445 422 H ASP 56 H ASP 56 -6.857 2.256 -6.231 423 HA ASP 56 HA ASP 56 -8.798 0.455 -5.066 424 HB2 ASP 56 1HB ASP 56 -5.819 0.371 -5.466 425 HB3 ASP 56 2HB ASP 56 -6.622 -0.803 -4.427 426 H GLN 57 H GLN 57 -7.721 -0.580 -2.870 427 HA GLN 57 HA GLN 57 -8.044 1.554 -0.938 428 HB2 GLN 57 1HB GLN 57 -7.804 -1.441 -0.674 429 HB3 GLN 57 2HB GLN 57 -7.906 -0.366 0.714 430 HG2 GLN 57 1HG GLN 57 -10.100 0.151 0.332 431 HG3 GLN 57 2HG GLN 57 -9.987 -0.165 -1.399 432 HE21 GLN 57 1HE2 GLN 57 -11.769 -1.493 -1.451 433 HE22 GLN 57 2HE2 GLN 57 -11.784 -3.070 -0.746 434 H VAL 58 H VAL 58 -6.573 0.938 1.183 435 HA VAL 58 HA VAL 58 -3.977 1.856 0.485 436 HB VAL 58 HB VAL 58 -4.897 0.724 3.130 437 HG11 VAL 58 1HG1 VAL 58 -3.011 2.689 3.585 438 HG12 VAL 58 2HG1 VAL 58 -2.743 0.947 3.668 439 HG13 VAL 58 3HG1 VAL 58 -2.382 1.826 2.182 440 HG21 VAL 58 1HG2 VAL 58 -5.205 3.415 1.874 441 HG22 VAL 58 2HG2 VAL 58 -6.361 2.479 2.821 442 HG23 VAL 58 3HG2 VAL 58 -5.013 3.286 3.622 443 H SER 59 H SER 59 -5.356 -1.229 0.559 444 HA SER 59 HA SER 59 -3.245 -2.839 1.434 445 HB2 SER 59 1HB SER 59 -4.316 -4.578 -0.121 446 HB3 SER 59 2HB SER 59 -5.339 -3.898 1.145 447 HG SER 59 HG SER 59 -5.259 -3.023 -1.556 448 H VAL 60 H VAL 60 -3.571 -0.950 -1.399 449 HA VAL 60 HA VAL 60 -1.673 -2.457 -2.975 450 HB VAL 60 HB VAL 60 -1.828 -0.520 -4.550 451 HG11 VAL 60 1HG1 VAL 60 -4.645 -1.072 -4.225 452 HG12 VAL 60 2HG1 VAL 60 -3.535 -1.592 -5.495 453 HG13 VAL 60 3HG1 VAL 60 -3.675 -2.528 -4.006 454 HG21 VAL 60 1HG2 VAL 60 -3.075 0.683 -2.246 455 HG22 VAL 60 2HG2 VAL 60 -2.513 1.436 -3.738 456 HG23 VAL 60 3HG2 VAL 60 -4.139 0.758 -3.651 457 H ILE 61 H ILE 61 -1.572 0.022 -0.613 458 HA ILE 61 HA ILE 61 0.980 1.097 -1.447 459 HB ILE 61 HB ILE 61 -0.633 1.556 1.064 460 HG12 ILE 61 1HG1 ILE 61 -0.148 3.444 -1.240 461 HG13 ILE 61 2HG1 ILE 61 -1.542 2.372 -1.168 462 HG21 ILE 61 1HG2 ILE 61 2.102 2.210 0.426 463 HG22 ILE 61 2HG2 ILE 61 1.147 3.668 0.696 464 HG23 ILE 61 3HG2 ILE 61 1.221 2.418 1.939 465 HD11 ILE 61 1HD1 ILE 61 -2.221 4.510 -0.396 466 HD12 ILE 61 2HD1 ILE 61 -2.141 3.441 1.006 467 HD13 ILE 61 3HD1 ILE 61 -0.854 4.610 0.714 468 H LYS 62 H LYS 62 -0.213 -1.345 0.716 469 HA LYS 62 HA LYS 62 2.226 -1.583 2.224 470 HB2 LYS 62 1HB LYS 62 -0.300 -3.211 2.055 471 HB3 LYS 62 2HB LYS 62 1.089 -3.767 2.979 472 HG2 LYS 62 1HG LYS 62 0.869 -2.119 4.564 473 HG3 LYS 62 2HG LYS 62 0.015 -1.030 3.468 474 HD2 LYS 62 1HD LYS 62 -1.967 -2.420 3.584 475 HD3 LYS 62 2HD LYS 62 -1.117 -3.594 4.592 476 HE2 LYS 62 1HE LYS 62 -0.720 -1.459 6.103 477 HE3 LYS 62 2HE LYS 62 -2.173 -0.898 5.277 478 HZ1 LYS 62 1HZ LYS 62 -3.441 -2.280 6.450 479 HZ2 LYS 62 2HZ LYS 62 -2.114 -2.486 7.477 480 HZ3 LYS 62 3HZ LYS 62 -2.397 -3.593 6.230 481 H VAL 63 H VAL 63 0.593 -3.565 -0.244 482 HA VAL 63 HA VAL 63 2.288 -5.664 -0.514 483 HB VAL 63 HB VAL 63 0.221 -5.132 -1.909 484 HG11 VAL 63 1HG1 VAL 63 2.213 -3.899 -3.796 485 HG12 VAL 63 2HG1 VAL 63 0.456 -3.970 -3.954 486 HG13 VAL 63 3HG1 VAL 63 1.192 -2.942 -2.723 487 HG21 VAL 63 1HG2 VAL 63 0.893 -6.604 -3.676 488 HG22 VAL 63 2HG2 VAL 63 2.594 -6.212 -3.424 489 HG23 VAL 63 3HG2 VAL 63 1.706 -7.117 -2.198 490 H LYS 64 H LYS 64 2.810 -2.393 -1.729 491 HA LYS 64 HA LYS 64 5.090 -2.865 -3.273 492 HB2 LYS 64 1HB LYS 64 4.410 -0.392 -1.671 493 HB3 LYS 64 2HB LYS 64 5.568 -0.474 -2.992 494 HG2 LYS 64 1HG LYS 64 2.702 -1.231 -3.408 495 HG3 LYS 64 2HG LYS 64 3.224 0.454 -3.466 496 HD2 LYS 64 1HD LYS 64 4.551 0.107 -5.345 497 HD3 LYS 64 2HD LYS 64 4.644 -1.635 -5.077 498 HE2 LYS 64 1HE LYS 64 3.143 -1.602 -6.792 499 HE3 LYS 64 2HE LYS 64 2.028 -1.461 -5.434 500 HZ1 LYS 64 1HZ LYS 64 2.514 1.089 -5.852 501 HZ2 LYS 64 2HZ LYS 64 1.297 0.260 -6.684 502 HZ3 LYS 64 3HZ LYS 64 2.794 0.531 -7.424 503 H ILE 65 H ILE 65 4.823 -1.931 0.149 504 HA ILE 65 HA ILE 65 7.460 -1.671 0.827 505 HB ILE 65 HB ILE 65 5.290 -2.981 2.468 506 HG12 ILE 65 1HG1 ILE 65 6.323 -0.137 2.418 507 HG13 ILE 65 2HG1 ILE 65 4.786 -0.679 1.755 508 HG21 ILE 65 1HG2 ILE 65 6.629 -2.701 4.387 509 HG22 ILE 65 2HG2 ILE 65 7.677 -3.444 3.180 510 HG23 ILE 65 3HG2 ILE 65 7.807 -1.718 3.517 511 HD11 ILE 65 1HD1 ILE 65 5.296 0.256 4.331 512 HD12 ILE 65 2HD1 ILE 65 3.805 -0.462 3.722 513 HD13 ILE 65 3HD1 ILE 65 5.019 -1.477 4.499 514 H HIS 66 H HIS 66 5.613 -4.715 1.091 515 HA HIS 66 HA HIS 66 7.712 -6.384 1.774 516 HB2 HIS 66 1HB HIS 66 5.280 -6.994 1.752 517 HB3 HIS 66 2HB HIS 66 5.385 -7.148 0.001 518 HD1 HIS 66 1HD HIS 66 6.067 -9.377 -0.871 519 HD2 HIS 66 2HD HIS 66 7.014 -8.907 3.147 520 HE1 HIS 66 1HE HIS 66 6.911 -11.621 -0.112 521 HE2 HIS 66 2HE HIS 66 7.397 -11.335 2.343 522 H GLU 67 H GLU 67 6.737 -5.201 -1.386 523 HA GLU 67 HA GLU 67 8.206 -6.908 -3.019 524 HB2 GLU 67 1HB GLU 67 6.558 -4.855 -3.506 525 HB3 GLU 67 2HB GLU 67 8.091 -4.034 -3.768 526 HG2 GLU 67 1HG GLU 67 7.094 -6.489 -5.193 527 HG3 GLU 67 2HG GLU 67 7.248 -4.864 -5.858 528 H ALA 68 H ALA 68 9.183 -3.670 -1.877 529 HA ALA 68 HA ALA 68 11.901 -4.062 -2.708 530 HB1 ALA 68 1HB ALA 68 12.022 -1.851 -2.518 531 HB2 ALA 68 2HB ALA 68 10.315 -1.866 -2.072 532 HB3 ALA 68 3HB ALA 68 11.554 -1.908 -0.818 533 H THR 69 H THR 69 10.398 -3.585 0.495 534 HA THR 69 HA THR 69 12.780 -4.673 1.774 535 HB THR 69 HB THR 69 11.762 -3.999 3.883 536 HG1 THR 69 1HG THR 69 9.569 -4.386 3.355 537 HG21 THR 69 1HG2 THR 69 12.729 -2.315 1.987 538 HG22 THR 69 2HG2 THR 69 12.292 -1.820 3.622 539 HG23 THR 69 3HG2 THR 69 11.150 -1.597 2.297 540 H GLY 70 H GLY 70 12.638 -6.368 3.373 541 HA2 GLY 70 1HA GLY 70 10.906 -8.510 2.487 542 HA3 GLY 70 2HA GLY 70 12.180 -8.626 3.692 543 H MET 71 H MET 71 9.620 -6.234 3.811 544 HA MET 71 HA MET 71 8.722 -7.417 6.334 545 HB2 MET 71 1HB MET 71 9.416 -4.960 6.104 546 HB3 MET 71 2HB MET 71 7.902 -4.734 5.238 547 HG2 MET 71 1HG MET 71 6.622 -5.322 7.142 548 HG3 MET 71 2HG MET 71 8.049 -5.893 8.003 549 HE1 MET 71 1HE MET 71 6.960 -2.936 10.123 550 HE2 MET 71 2HE MET 71 6.744 -4.649 9.760 551 HE3 MET 71 3HE MET 71 8.315 -4.052 10.298 552 HA PRO 72 HA PRO 72 5.061 -8.975 4.411 553 HB2 PRO 72 1HB PRO 72 3.641 -9.455 6.674 554 HB3 PRO 72 2HB PRO 72 4.984 -10.477 6.148 555 HG2 PRO 72 1HG PRO 72 4.954 -8.300 8.202 556 HG3 PRO 72 2HG PRO 72 5.728 -9.894 8.272 557 HD2 PRO 72 1HD PRO 72 7.101 -7.631 7.702 558 HD3 PRO 72 2HD PRO 72 7.536 -9.211 7.017 559 H ALA 73 H ALA 73 2.765 -8.503 4.252 560 HA ALA 73 HA ALA 73 2.239 -5.661 4.652 561 HB1 ALA 73 1HB ALA 73 0.115 -6.371 3.283 562 HB2 ALA 73 2HB ALA 73 1.676 -6.168 2.488 563 HB3 ALA 73 3HB ALA 73 1.100 -7.783 2.899 564 H GLY 74 H GLY 74 2.241 -6.920 7.053 565 HA2 GLY 74 1HA GLY 74 -0.576 -6.701 7.818 566 HA3 GLY 74 2HA GLY 74 0.264 -8.187 8.236 567 H LYS 75 H LYS 75 2.244 -7.953 9.561 568 HA LYS 75 HA LYS 75 1.829 -6.779 11.969 569 HB2 LYS 75 1HB LYS 75 4.355 -7.443 10.500 570 HB3 LYS 75 2HB LYS 75 4.443 -6.646 12.065 571 HG2 LYS 75 1HG LYS 75 3.485 -8.461 13.177 572 HG3 LYS 75 2HG LYS 75 2.856 -9.159 11.682 573 HD2 LYS 75 1HD LYS 75 5.804 -8.849 12.177 574 HD3 LYS 75 2HD LYS 75 4.908 -10.268 12.726 575 HE2 LYS 75 1HE LYS 75 4.655 -9.385 9.887 576 HE3 LYS 75 2HE LYS 75 6.103 -10.255 10.392 577 HZ1 LYS 75 1HZ LYS 75 3.551 -11.398 11.201 578 HZ2 LYS 75 2HZ LYS 75 4.965 -12.166 10.679 579 HZ3 LYS 75 3HZ LYS 75 3.914 -11.472 9.550 580 H GLN 76 H GLN 76 3.496 -5.288 9.213 581 HA GLN 76 HA GLN 76 4.263 -2.904 10.407 582 HB2 GLN 76 1HB GLN 76 4.278 -1.953 8.141 583 HB3 GLN 76 2HB GLN 76 5.009 -3.551 8.180 584 HG2 GLN 76 1HG GLN 76 3.223 -4.536 7.073 585 HG3 GLN 76 2HG GLN 76 2.131 -3.205 7.451 586 HE21 GLN 76 1HE2 GLN 76 4.342 -4.498 5.221 587 HE22 GLN 76 2HE2 GLN 76 4.324 -3.196 4.085 588 H LYS 77 H LYS 77 3.262 -1.055 10.964 589 HA LYS 77 HA LYS 77 0.373 -0.864 10.412 590 HB2 LYS 77 1HB LYS 77 1.328 -1.181 12.851 591 HB3 LYS 77 2HB LYS 77 1.632 0.547 12.728 592 HG2 LYS 77 1HG LYS 77 -0.594 1.079 12.700 593 HG3 LYS 77 2HG LYS 77 -1.071 -0.483 12.029 594 HD2 LYS 77 1HD LYS 77 -1.805 -0.387 14.310 595 HD3 LYS 77 2HD LYS 77 -0.461 -1.527 14.210 596 HE2 LYS 77 1HE LYS 77 -0.121 -0.184 16.149 597 HE3 LYS 77 2HE LYS 77 1.053 0.328 14.938 598 HZ1 LYS 77 1HZ LYS 77 -1.433 1.714 15.757 599 HZ2 LYS 77 2HZ LYS 77 -0.583 2.126 14.355 600 HZ3 LYS 77 3HZ LYS 77 0.158 2.279 15.868 601 H LEU 78 H LEU 78 -0.076 0.673 8.990 602 HA LEU 78 HA LEU 78 1.776 2.841 8.501 603 HB2 LEU 78 1HB LEU 78 -0.932 2.391 7.264 604 HB3 LEU 78 2HB LEU 78 0.370 3.407 6.648 605 HG LEU 78 HG LEU 78 0.387 0.393 6.796 606 HD11 LEU 78 1HD1 LEU 78 -1.034 0.942 5.034 607 HD12 LEU 78 2HD1 LEU 78 0.535 0.733 4.257 608 HD13 LEU 78 3HD1 LEU 78 -0.081 2.354 4.578 609 HD21 LEU 78 1HD2 LEU 78 2.613 1.318 7.135 610 HD22 LEU 78 2HD2 LEU 78 2.431 2.320 5.694 611 HD23 LEU 78 3HD2 LEU 78 2.486 0.563 5.546 612 H GLN 79 H GLN 79 1.617 4.864 9.239 613 HA GLN 79 HA GLN 79 -0.871 5.638 10.616 614 HB2 GLN 79 1HB GLN 79 1.375 5.266 11.937 615 HB3 GLN 79 2HB GLN 79 1.762 6.868 11.321 616 HG2 GLN 79 1HG GLN 79 -0.360 7.693 12.324 617 HG3 GLN 79 2HG GLN 79 -0.572 6.103 13.057 618 HE21 GLN 79 1HE2 GLN 79 -0.389 8.504 14.496 619 HE22 GLN 79 2HE2 GLN 79 1.047 8.453 15.454 620 H TYR 80 H TYR 80 -1.871 7.401 9.893 621 HA TYR 80 HA TYR 80 -0.347 9.426 8.427 622 HB2 TYR 80 1HB TYR 80 -1.164 8.195 6.601 623 HB3 TYR 80 2HB TYR 80 -2.709 7.883 7.385 624 HD1 TYR 80 1HD TYR 80 -0.661 10.761 6.160 625 HD2 TYR 80 2HD TYR 80 -4.544 9.109 6.703 626 HE1 TYR 80 1HE TYR 80 -1.639 12.688 4.985 627 HE2 TYR 80 2HE TYR 80 -5.532 11.031 5.529 628 HH TYR 80 HH TYR 80 -3.609 13.329 3.821 629 H GLU 81 H GLU 81 -0.715 11.299 9.393 630 HA GLU 81 HA GLU 81 -1.701 12.951 10.616 631 HB2 GLU 81 1HB GLU 81 -4.126 11.988 9.090 632 HB3 GLU 81 2HB GLU 81 -4.029 13.507 9.969 633 HG2 GLU 81 1HG GLU 81 -2.046 12.878 7.828 634 HG3 GLU 81 2HG GLU 81 -3.649 13.482 7.414 635 H GLY 82 H GLY 82 -1.400 10.580 12.035 636 HA2 GLY 82 1HA GLY 82 -2.024 9.765 14.099 637 HA3 GLY 82 2HA GLY 82 -3.285 10.988 14.142 638 H ILE 83 H ILE 83 -3.144 8.837 11.439 639 HA ILE 83 HA ILE 83 -5.448 7.356 12.530 640 HB ILE 83 HB ILE 83 -4.968 8.067 9.634 641 HG12 ILE 83 1HG1 ILE 83 -7.108 9.133 11.481 642 HG13 ILE 83 2HG1 ILE 83 -5.598 9.981 11.165 643 HG21 ILE 83 1HG2 ILE 83 -6.145 5.938 9.980 644 HG22 ILE 83 2HG2 ILE 83 -7.348 6.775 10.959 645 HG23 ILE 83 3HG2 ILE 83 -7.184 7.159 9.246 646 HD11 ILE 83 1HD1 ILE 83 -6.156 10.356 8.923 647 HD12 ILE 83 2HD1 ILE 83 -7.456 9.165 8.960 648 HD13 ILE 83 3HD1 ILE 83 -7.631 10.689 9.830 649 H PHE 84 H PHE 84 -5.535 5.163 12.222 650 HA PHE 84 HA PHE 84 -3.039 3.919 11.330 651 HB2 PHE 84 1HB PHE 84 -5.355 2.748 12.886 652 HB3 PHE 84 2HB PHE 84 -3.852 1.914 12.507 653 HD1 PHE 84 2HD PHE 84 -1.678 3.269 13.257 654 HD2 PHE 84 1HD PHE 84 -5.555 3.673 14.968 655 HE1 PHE 84 2HE PHE 84 -0.671 4.147 15.323 656 HE2 PHE 84 1HE PHE 84 -4.554 4.553 17.036 657 HZ PHE 84 HZ PHE 84 -2.109 4.790 17.216 658 H ILE 85 H ILE 85 -4.405 4.820 9.208 659 HA ILE 85 HA ILE 85 -6.395 3.604 7.944 660 HB ILE 85 HB ILE 85 -5.101 3.674 5.810 661 HG12 ILE 85 1HG1 ILE 85 -2.836 4.661 7.554 662 HG13 ILE 85 2HG1 ILE 85 -2.913 3.042 6.867 663 HG21 ILE 85 1HG2 ILE 85 -5.201 5.992 7.695 664 HG22 ILE 85 2HG2 ILE 85 -4.518 6.187 6.082 665 HG23 ILE 85 3HG2 ILE 85 -6.190 5.662 6.273 666 HD11 ILE 85 1HD1 ILE 85 -1.615 4.072 5.315 667 HD12 ILE 85 2HD1 ILE 85 -3.205 4.391 4.623 668 HD13 ILE 85 3HD1 ILE 85 -2.380 5.643 5.551 669 H LYS 86 H LYS 86 -6.992 1.655 7.188 670 HA LYS 86 HA LYS 86 -5.107 -0.571 7.579 671 HB2 LYS 86 1HB LYS 86 -8.082 -0.342 7.811 672 HB3 LYS 86 2HB LYS 86 -7.371 -1.900 7.412 673 HG2 LYS 86 1HG LYS 86 -7.396 -2.118 9.659 674 HG3 LYS 86 2HG LYS 86 -5.847 -1.285 9.509 675 HD2 LYS 86 1HD LYS 86 -6.988 0.861 9.910 676 HD3 LYS 86 2HD LYS 86 -8.513 -0.004 10.113 677 HE2 LYS 86 1HE LYS 86 -7.578 0.490 12.280 678 HE3 LYS 86 2HE LYS 86 -7.513 -1.249 11.999 679 HZ1 LYS 86 1HZ LYS 86 -5.168 -0.941 11.308 680 HZ2 LYS 86 2HZ LYS 86 -5.449 -0.557 12.931 681 HZ3 LYS 86 3HZ LYS 86 -5.266 0.678 11.789 682 H ASP 87 H ASP 87 -5.552 -2.476 6.082 683 HA ASP 87 HA ASP 87 -5.178 -1.620 3.404 684 HB2 ASP 87 1HB ASP 87 -5.619 -4.246 3.083 685 HB3 ASP 87 2HB ASP 87 -4.096 -3.607 3.692 686 H SER 88 H SER 88 -7.899 -3.076 5.129 687 HA SER 88 HA SER 88 -9.570 -3.429 2.883 688 HB2 SER 88 1HB SER 88 -11.412 -3.555 4.570 689 HB3 SER 88 2HB SER 88 -10.043 -4.601 4.947 690 HG SER 88 HG SER 88 -10.192 -1.996 6.007 691 H ASN 89 H ASN 89 -8.848 -0.677 4.884 692 HA ASN 89 HA ASN 89 -11.095 0.898 4.099 693 HB2 ASN 89 1HB ASN 89 -8.508 1.456 5.511 694 HB3 ASN 89 2HB ASN 89 -9.512 2.794 4.962 695 HD21 ASN 89 1HD2 ASN 89 -9.777 -0.269 6.728 696 HD22 ASN 89 2HD2 ASN 89 -10.898 0.312 7.907 697 H SER 90 H SER 90 -11.184 2.605 2.629 698 HA SER 90 HA SER 90 -9.288 2.367 0.416 699 HB2 SER 90 1HB SER 90 -11.913 3.871 0.523 700 HB3 SER 90 2HB SER 90 -10.952 3.537 -0.918 701 HG SER 90 HG SER 90 -12.210 1.614 0.751 702 H LEU 91 H LEU 91 -8.231 4.149 -0.490 703 HA LEU 91 HA LEU 91 -7.270 6.064 1.336 704 HB2 LEU 91 1HB LEU 91 -7.112 5.849 -1.657 705 HB3 LEU 91 2HB LEU 91 -6.346 7.161 -0.764 706 HG LEU 91 HG LEU 91 -5.311 5.042 0.539 707 HD11 LEU 91 1HD1 LEU 91 -5.172 4.052 -2.258 708 HD12 LEU 91 2HD1 LEU 91 -6.604 3.668 -1.305 709 HD13 LEU 91 3HD1 LEU 91 -5.010 3.176 -0.735 710 HD21 LEU 91 1HD2 LEU 91 -3.557 6.236 -0.115 711 HD22 LEU 91 2HD2 LEU 91 -4.462 6.922 -1.465 712 HD23 LEU 91 3HD2 LEU 91 -3.618 5.385 -1.659 713 H ALA 92 H ALA 92 -9.515 6.384 -1.406 714 HA ALA 92 HA ALA 92 -10.022 9.074 -1.347 715 HB1 ALA 92 1HB ALA 92 -12.394 8.401 -2.068 716 HB2 ALA 92 2HB ALA 92 -11.040 7.880 -3.071 717 HB3 ALA 92 3HB ALA 92 -11.804 6.743 -1.960 718 H TYR 93 H TYR 93 -11.724 6.587 0.554 719 HA TYR 93 HA TYR 93 -13.529 8.135 1.905 720 HB2 TYR 93 1HB TYR 93 -13.473 5.722 2.155 721 HB3 TYR 93 2HB TYR 93 -11.920 5.810 2.978 722 HD1 TYR 93 1HD TYR 93 -11.858 7.136 5.200 723 HD2 TYR 93 2HD TYR 93 -15.446 5.735 3.392 724 HE1 TYR 93 1HE TYR 93 -13.011 7.310 7.366 725 HE2 TYR 93 2HE TYR 93 -16.608 5.906 5.552 726 HH TYR 93 HH TYR 93 -16.313 6.163 7.786 727 H TYR 94 H TYR 94 -10.164 7.504 2.869 728 HA TYR 94 HA TYR 94 -10.225 9.112 5.189 729 HB2 TYR 94 1HB TYR 94 -7.921 8.196 3.460 730 HB3 TYR 94 2HB TYR 94 -7.718 9.039 4.992 731 HD1 TYR 94 2HD TYR 94 -9.335 7.894 6.914 732 HD2 TYR 94 1HD TYR 94 -7.571 5.929 3.578 733 HE1 TYR 94 2HE TYR 94 -9.466 5.752 8.114 734 HE2 TYR 94 1HE TYR 94 -7.698 3.780 4.769 735 HH TYR 94 HH TYR 94 -8.551 3.588 8.124 736 H ASN 95 H ASN 95 -9.824 9.843 1.829 737 HA ASN 95 HA ASN 95 -9.634 11.802 0.690 738 HB2 ASN 95 1HB ASN 95 -10.652 12.716 3.349 739 HB3 ASN 95 2HB ASN 95 -10.103 13.925 2.192 740 HD21 ASN 95 1HD2 ASN 95 -12.345 11.269 2.685 741 HD22 ASN 95 2HD2 ASN 95 -13.510 11.792 1.521 742 H MET 96 H MET 96 -7.270 10.779 1.217 743 HA MET 96 HA MET 96 -5.524 12.394 2.761 744 HB2 MET 96 1HB MET 96 -4.881 10.517 0.480 745 HB3 MET 96 2HB MET 96 -3.720 11.167 1.630 746 HG2 MET 96 1HG MET 96 -4.436 9.820 3.332 747 HG3 MET 96 2HG MET 96 -6.060 9.660 2.668 748 HE1 MET 96 1HE MET 96 -3.631 7.996 3.888 749 HE2 MET 96 2HE MET 96 -4.467 6.503 3.460 750 HE3 MET 96 3HE MET 96 -2.864 6.836 2.803 751 H ALA 97 H ALA 97 -3.506 13.373 1.626 752 HA ALA 97 HA ALA 97 -4.353 14.919 -0.731 753 HB1 ALA 97 1HB ALA 97 -2.642 16.571 0.759 754 HB2 ALA 97 2HB ALA 97 -4.369 16.784 0.472 755 HB3 ALA 97 3HB ALA 97 -3.814 15.915 1.903 756 H SER 98 H SER 98 -2.781 15.372 -2.234 757 HA SER 98 HA SER 98 -0.744 13.636 -2.702 758 HB2 SER 98 1HB SER 98 0.287 15.432 -4.125 759 HB3 SER 98 2HB SER 98 -1.436 15.187 -4.411 760 HG SER 98 HG SER 98 -1.221 17.346 -4.215 761 H GLY 99 H GLY 99 1.655 14.090 -2.755 762 HA2 GLY 99 1HA GLY 99 3.580 14.246 -1.503 763 HA3 GLY 99 2HA GLY 99 3.010 15.874 -1.169 764 H ALA 100 H ALA 100 1.511 12.837 -0.162 765 HA ALA 100 HA ALA 100 1.406 13.764 2.565 766 HB1 ALA 100 1HB ALA 100 -0.121 12.102 2.943 767 HB2 ALA 100 2HB ALA 100 -0.321 12.321 1.204 768 HB3 ALA 100 3HB ALA 100 0.651 10.984 1.819 769 H VAL 101 H VAL 101 1.895 11.972 4.291 770 HA VAL 101 HA VAL 101 4.387 10.563 3.684 771 HB VAL 101 HB VAL 101 5.110 12.721 4.565 772 HG11 VAL 101 1HG1 VAL 101 4.007 13.799 6.163 773 HG12 VAL 101 2HG1 VAL 101 2.850 12.468 6.216 774 HG13 VAL 101 3HG1 VAL 101 4.252 12.462 7.286 775 HG21 VAL 101 1HG2 VAL 101 5.453 10.455 6.526 776 HG22 VAL 101 2HG2 VAL 101 6.449 10.773 5.105 777 HG23 VAL 101 3HG2 VAL 101 6.457 11.903 6.459 778 H ILE 102 H ILE 102 3.786 8.530 4.111 779 HA ILE 102 HA ILE 102 2.025 7.940 6.346 780 HB ILE 102 HB ILE 102 3.294 6.066 4.345 781 HG12 ILE 102 1HG1 ILE 102 1.782 7.575 3.218 782 HG13 ILE 102 2HG1 ILE 102 0.996 6.006 3.365 783 HG21 ILE 102 1HG2 ILE 102 2.115 5.494 6.801 784 HG22 ILE 102 2HG2 ILE 102 0.866 5.147 5.605 785 HG23 ILE 102 3HG2 ILE 102 2.440 4.361 5.490 786 HD11 ILE 102 1HD1 ILE 102 -0.632 7.635 3.858 787 HD12 ILE 102 2HD1 ILE 102 -0.168 6.916 5.401 788 HD13 ILE 102 3HD1 ILE 102 0.455 8.501 4.942 789 H HIS 103 H HIS 103 2.909 7.825 8.302 790 HA HIS 103 HA HIS 103 5.673 7.087 8.679 791 HB2 HIS 103 1HB HIS 103 3.533 7.625 10.749 792 HB3 HIS 103 2HB HIS 103 5.268 7.544 11.040 793 HD1 HIS 103 1HD HIS 103 6.565 9.667 10.763 794 HD2 HIS 103 2HD HIS 103 2.742 9.920 9.155 795 HE1 HIS 103 1HE HIS 103 6.262 12.081 10.126 796 HE2 HIS 103 2HE HIS 103 3.911 12.226 9.235 797 H LEU 104 H LEU 104 6.388 5.085 8.939 798 HA LEU 104 HA LEU 104 4.510 2.914 9.340 799 HB2 LEU 104 1HB LEU 104 6.399 2.849 7.687 800 HB3 LEU 104 2HB LEU 104 7.504 2.763 9.056 801 HG LEU 104 HG LEU 104 6.452 0.628 9.726 802 HD11 LEU 104 1HD1 LEU 104 4.428 1.433 7.980 803 HD12 LEU 104 2HD1 LEU 104 4.552 -0.100 8.843 804 HD13 LEU 104 3HD1 LEU 104 5.192 0.044 7.206 805 HD21 LEU 104 1HD2 LEU 104 8.274 1.105 7.703 806 HD22 LEU 104 2HD2 LEU 104 7.139 -0.039 6.985 807 HD23 LEU 104 3HD2 LEU 104 7.966 -0.443 8.491 808 H ALA 105 H ALA 105 4.318 1.665 11.129 809 HA ALA 105 HA ALA 105 6.172 2.114 13.359 810 HB1 ALA 105 1HB ALA 105 3.188 2.427 13.428 811 HB2 ALA 105 2HB ALA 105 4.116 2.054 14.881 812 HB3 ALA 105 3HB ALA 105 4.432 3.543 13.991 813 H LEU 106 H LEU 106 6.786 0.288 14.341 814 HA LEU 106 HA LEU 106 5.906 -2.234 13.348 815 HB2 LEU 106 1HB LEU 106 8.194 -1.426 14.418 816 HB3 LEU 106 2HB LEU 106 7.438 -2.041 15.886 817 HG LEU 106 HG LEU 106 7.917 -3.651 13.379 818 HD11 LEU 106 1HD1 LEU 106 10.032 -3.701 14.093 819 HD12 LEU 106 2HD1 LEU 106 9.431 -4.741 15.383 820 HD13 LEU 106 3HD1 LEU 106 9.616 -3.010 15.662 821 HD21 LEU 106 1HD2 LEU 106 6.248 -4.848 14.322 822 HD22 LEU 106 2HD2 LEU 106 6.502 -4.152 15.922 823 HD23 LEU 106 3HD2 LEU 106 7.557 -5.443 15.344 824 H LYS 107 H LYS 107 3.999 -3.073 13.864 825 HA LYS 107 HA LYS 107 2.513 -2.373 16.167 826 HB2 LYS 107 1HB LYS 107 1.709 -3.342 13.898 827 HB3 LYS 107 2HB LYS 107 2.060 -4.907 14.619 828 HG2 LYS 107 1HG LYS 107 0.478 -4.504 16.386 829 HG3 LYS 107 2HG LYS 107 0.199 -2.860 15.806 830 HD2 LYS 107 1HD LYS 107 -1.618 -4.147 15.013 831 HD3 LYS 107 2HD LYS 107 -0.557 -3.902 13.625 832 HE2 LYS 107 1HE LYS 107 -1.168 -6.171 13.548 833 HE3 LYS 107 2HE LYS 107 0.468 -6.153 14.204 834 HZ1 LYS 107 1HZ LYS 107 -1.890 -6.182 15.981 835 HZ2 LYS 107 2HZ LYS 107 -0.298 -6.633 16.330 836 HZ3 LYS 107 3HZ LYS 107 -1.259 -7.617 15.344 837 H GLU 108 H GLU 108 2.052 -3.548 18.036 838 HA GLU 108 HA GLU 108 4.118 -5.501 18.761 839 HB2 GLU 108 1HB GLU 108 2.376 -3.654 20.370 840 HB3 GLU 108 2HB GLU 108 3.178 -5.025 21.123 841 HG2 GLU 108 1HG GLU 108 4.698 -3.003 19.519 842 HG3 GLU 108 2HG GLU 108 4.335 -2.756 21.226 843 H ARG 109 H ARG 109 3.502 -7.534 18.419 844 HA ARG 109 HA ARG 109 0.712 -8.281 18.962 845 HB2 ARG 109 1HB ARG 109 1.770 -8.717 16.679 846 HB3 ARG 109 2HB ARG 109 2.743 -9.942 17.480 847 HG2 ARG 109 1HG ARG 109 0.650 -11.059 18.203 848 HG3 ARG 109 2HG ARG 109 -0.256 -9.881 17.251 849 HD2 ARG 109 1HD ARG 109 -0.041 -11.793 15.883 850 HD3 ARG 109 2HD ARG 109 1.123 -10.622 15.265 851 HE ARG 109 HE ARG 109 2.515 -12.162 17.066 852 HH11 ARG 109 2HH1 ARG 109 0.704 -12.722 14.145 853 HH12 ARG 109 1HH1 ARG 109 1.643 -14.099 13.672 854 HH21 ARG 109 2HH2 ARG 109 3.757 -13.975 16.454 855 HH22 ARG 109 1HH2 ARG 109 3.379 -14.812 14.987 856 H SER 110 H SER 110 0.327 -10.380 19.974 857 HA SER 110 HA SER 110 1.258 -10.727 22.447 858 HB2 SER 110 1HB SER 110 0.768 -13.168 22.247 859 HB3 SER 110 2HB SER 110 -0.501 -12.146 21.573 860 HG SER 110 HG SER 110 -0.188 -13.556 19.983 861 H GLY 111 H GLY 111 3.343 -10.456 23.017 862 HA2 GLY 111 1HA GLY 111 5.659 -10.971 21.752 863 HA3 GLY 111 2HA GLY 111 5.482 -11.220 23.483 864 HA PRO 112 HA PRO 112 5.268 -15.390 20.948 865 HB2 PRO 112 1HB PRO 112 7.282 -15.459 19.129 866 HB3 PRO 112 2HB PRO 112 5.648 -14.915 18.732 867 HG2 PRO 112 1HG PRO 112 8.083 -13.292 19.362 868 HG3 PRO 112 2HG PRO 112 6.864 -13.037 18.099 869 HD2 PRO 112 1HD PRO 112 6.864 -11.652 20.426 870 HD3 PRO 112 2HD PRO 112 5.370 -12.067 19.562 871 H SER 113 H SER 113 6.982 -17.162 20.864 872 HA SER 113 HA SER 113 8.994 -16.622 22.945 873 HB2 SER 113 1HB SER 113 8.883 -19.095 23.377 874 HB3 SER 113 2HB SER 113 7.379 -18.237 23.712 875 HG SER 113 HG SER 113 7.310 -20.282 22.420 876 H SER 114 H SER 114 11.100 -17.121 22.606 877 HA SER 114 HA SER 114 12.085 -17.289 19.994 878 HB2 SER 114 1HB SER 114 13.265 -16.550 22.192 879 HB3 SER 114 2HB SER 114 13.678 -18.256 22.352 880 HG SER 114 HG SER 114 15.329 -17.302 21.236 881 H GLY 115 H GLY 115 11.551 -18.958 18.708 882 HA2 GLY 115 1HA GLY 115 12.060 -21.678 19.746 883 HA3 GLY 115 2HA GLY 115 10.776 -21.308 18.605 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -2.085 31.898 4.140 2 HA2 GLY 1 1HA GLY 1 -2.537 31.313 6.400 3 HA3 GLY 1 2HA GLY 1 -3.096 29.740 5.851 4 H SER 2 H SER 2 -1.709 28.990 7.637 5 HA SER 2 HA SER 2 1.128 28.884 6.850 6 HB2 SER 2 1HB SER 2 0.999 29.930 8.980 7 HB3 SER 2 2HB SER 2 -0.183 28.759 9.566 8 HG SER 2 HG SER 2 2.582 28.526 9.298 9 H SER 3 H SER 3 2.249 26.893 7.092 10 HA SER 3 HA SER 3 0.997 24.663 6.074 11 HB2 SER 3 1HB SER 3 3.491 24.907 7.758 12 HB3 SER 3 2HB SER 3 2.974 23.379 7.045 13 HG SER 3 HG SER 3 4.142 25.561 5.867 14 H GLY 4 H GLY 4 0.419 22.619 7.001 15 HA2 GLY 4 1HA GLY 4 0.186 21.414 9.208 16 HA3 GLY 4 2HA GLY 4 -0.582 22.892 9.766 17 H SER 5 H SER 5 -1.121 19.852 8.533 18 HA SER 5 HA SER 5 -3.591 20.487 7.148 19 HB2 SER 5 1HB SER 5 -2.410 18.698 6.153 20 HB3 SER 5 2HB SER 5 -2.112 17.920 7.708 21 HG SER 5 HG SER 5 -3.766 16.811 6.758 22 H SER 6 H SER 6 -5.478 20.688 8.137 23 HA SER 6 HA SER 6 -5.963 20.595 10.813 24 HB2 SER 6 1HB SER 6 -7.795 20.127 8.472 25 HB3 SER 6 2HB SER 6 -8.407 20.088 10.125 26 HG SER 6 HG SER 6 -7.438 22.231 8.628 27 H GLY 7 H GLY 7 -7.443 19.073 12.025 28 HA2 GLY 7 1HA GLY 7 -6.875 16.265 11.315 29 HA3 GLY 7 2HA GLY 7 -6.582 16.860 12.942 30 H THR 8 H THR 8 -8.909 15.675 10.718 31 HA THR 8 HA THR 8 -10.871 15.505 12.863 32 HB THR 8 HB THR 8 -12.586 16.185 10.900 33 HG1 THR 8 1HG THR 8 -11.062 16.834 9.403 34 HG21 THR 8 1HG2 THR 8 -12.702 18.422 11.961 35 HG22 THR 8 2HG2 THR 8 -11.189 18.073 12.798 36 HG23 THR 8 3HG2 THR 8 -12.627 17.110 13.137 37 H GLU 9 H GLU 9 -11.785 13.556 12.873 38 HA GLU 9 HA GLU 9 -11.492 11.874 10.485 39 HB2 GLU 9 1HB GLU 9 -12.024 11.114 13.363 40 HB3 GLU 9 2HB GLU 9 -11.880 9.976 12.031 41 HG2 GLU 9 1HG GLU 9 -9.575 10.668 11.671 42 HG3 GLU 9 2HG GLU 9 -9.715 11.840 12.980 43 H ASP 10 H ASP 10 -13.852 12.627 13.041 44 HA ASP 10 HA ASP 10 -16.027 11.252 11.981 45 HB2 ASP 10 1HB ASP 10 -15.894 12.309 14.257 46 HB3 ASP 10 2HB ASP 10 -16.174 13.868 13.487 47 H SER 11 H SER 11 -14.966 14.586 11.404 48 HA SER 11 HA SER 11 -17.057 14.945 9.405 49 HB2 SER 11 1HB SER 11 -16.178 16.700 11.182 50 HB3 SER 11 2HB SER 11 -14.972 17.021 9.936 51 HG SER 11 HG SER 11 -17.749 17.407 9.874 52 H LEU 12 H LEU 12 -15.479 12.991 8.531 53 HA LEU 12 HA LEU 12 -13.350 14.050 6.872 54 HB2 LEU 12 1HB LEU 12 -14.395 11.344 7.537 55 HB3 LEU 12 2HB LEU 12 -13.468 11.546 6.052 56 HG LEU 12 HG LEU 12 -12.413 12.370 8.747 57 HD11 LEU 12 1HD1 LEU 12 -11.858 10.280 9.274 58 HD12 LEU 12 2HD1 LEU 12 -11.308 9.927 7.637 59 HD13 LEU 12 3HD1 LEU 12 -13.016 9.771 8.046 60 HD21 LEU 12 1HD2 LEU 12 -10.491 12.854 7.687 61 HD22 LEU 12 2HD2 LEU 12 -11.522 12.982 6.262 62 HD23 LEU 12 3HD2 LEU 12 -10.636 11.490 6.579 63 H MET 13 H MET 13 -13.294 13.879 4.584 64 HA MET 13 HA MET 13 -15.790 14.511 3.336 65 HB2 MET 13 1HB MET 13 -12.940 14.433 2.534 66 HB3 MET 13 2HB MET 13 -14.113 14.216 1.243 67 HG2 MET 13 1HG MET 13 -13.844 16.481 1.204 68 HG3 MET 13 2HG MET 13 -15.223 16.332 2.291 69 HE1 MET 13 1HE MET 13 -15.397 17.373 4.421 70 HE2 MET 13 2HE MET 13 -14.188 18.486 5.063 71 HE3 MET 13 3HE MET 13 -14.871 18.755 3.458 72 HA PRO 14 HA PRO 14 -17.071 10.621 1.763 73 HB2 PRO 14 1HB PRO 14 -17.941 11.249 -0.731 74 HB3 PRO 14 2HB PRO 14 -18.812 11.713 0.735 75 HG2 PRO 14 1HG PRO 14 -16.961 13.341 -0.964 76 HG3 PRO 14 2HG PRO 14 -18.510 13.804 -0.236 77 HD2 PRO 14 1HD PRO 14 -16.127 14.502 0.843 78 HD3 PRO 14 2HD PRO 14 -17.568 14.188 1.832 79 H GLU 15 H GLU 15 -17.057 9.586 -0.768 80 HA GLU 15 HA GLU 15 -14.178 9.344 -1.339 81 HB2 GLU 15 1HB GLU 15 -15.466 7.321 -0.444 82 HB3 GLU 15 2HB GLU 15 -16.268 7.280 -2.008 83 HG2 GLU 15 1HG GLU 15 -13.993 7.131 -3.057 84 HG3 GLU 15 2HG GLU 15 -13.343 6.909 -1.434 85 H GLU 16 H GLU 16 -17.396 9.369 -2.827 86 HA GLU 16 HA GLU 16 -16.599 9.262 -5.501 87 HB2 GLU 16 1HB GLU 16 -19.014 10.404 -4.127 88 HB3 GLU 16 2HB GLU 16 -18.811 10.560 -5.866 89 HG2 GLU 16 1HG GLU 16 -18.473 8.008 -5.833 90 HG3 GLU 16 2HG GLU 16 -19.206 8.089 -4.232 91 H GLU 17 H GLU 17 -17.699 12.195 -3.792 92 HA GLU 17 HA GLU 17 -16.839 14.029 -5.685 93 HB2 GLU 17 1HB GLU 17 -17.144 14.307 -2.695 94 HB3 GLU 17 2HB GLU 17 -16.801 15.665 -3.756 95 HG2 GLU 17 1HG GLU 17 -19.245 13.912 -3.799 96 HG3 GLU 17 2HG GLU 17 -19.151 15.594 -3.280 97 H PHE 18 H PHE 18 -15.142 13.019 -2.717 98 HA PHE 18 HA PHE 18 -12.892 14.431 -2.695 99 HB2 PHE 18 1HB PHE 18 -12.938 12.730 -1.112 100 HB3 PHE 18 2HB PHE 18 -13.295 11.488 -2.308 101 HD1 PHE 18 1HD PHE 18 -11.503 10.607 -3.750 102 HD2 PHE 18 2HD PHE 18 -10.703 13.336 -0.582 103 HE1 PHE 18 1HE PHE 18 -9.120 10.003 -3.835 104 HE2 PHE 18 2HE PHE 18 -8.318 12.736 -0.663 105 HZ PHE 18 HZ PHE 18 -7.523 11.068 -2.292 106 H LEU 19 H LEU 19 -13.158 11.515 -4.735 107 HA LEU 19 HA LEU 19 -10.776 11.687 -6.081 108 HB2 LEU 19 1HB LEU 19 -13.439 10.860 -7.227 109 HB3 LEU 19 2HB LEU 19 -11.863 10.479 -7.918 110 HG LEU 19 HG LEU 19 -12.779 9.537 -5.205 111 HD11 LEU 19 1HD1 LEU 19 -14.125 8.708 -7.214 112 HD12 LEU 19 2HD1 LEU 19 -13.427 7.497 -6.139 113 HD13 LEU 19 3HD1 LEU 19 -12.655 7.853 -7.684 114 HD21 LEU 19 1HD2 LEU 19 -10.837 8.350 -5.073 115 HD22 LEU 19 2HD2 LEU 19 -10.266 9.732 -6.008 116 HD23 LEU 19 3HD2 LEU 19 -10.664 8.220 -6.823 117 H ARG 20 H ARG 20 -13.805 13.357 -6.836 118 HA ARG 20 HA ARG 20 -13.009 14.538 -9.245 119 HB2 ARG 20 1HB ARG 20 -14.889 15.743 -7.211 120 HB3 ARG 20 2HB ARG 20 -14.850 16.063 -8.940 121 HG2 ARG 20 1HG ARG 20 -15.543 13.770 -9.390 122 HG3 ARG 20 2HG ARG 20 -15.563 13.433 -7.657 123 HD2 ARG 20 1HD ARG 20 -17.252 15.263 -7.410 124 HD3 ARG 20 2HD ARG 20 -17.315 15.363 -9.169 125 HE ARG 20 HE ARG 20 -18.439 13.288 -7.495 126 HH11 ARG 20 2HH1 ARG 20 -17.472 14.246 -10.699 127 HH12 ARG 20 1HH1 ARG 20 -18.486 13.087 -11.493 128 HH21 ARG 20 2HH2 ARG 20 -19.779 11.758 -8.529 129 HH22 ARG 20 1HH2 ARG 20 -19.799 11.674 -10.258 130 H ARG 21 H ARG 21 -12.347 15.388 -5.930 131 HA ARG 21 HA ARG 21 -11.403 18.034 -6.501 132 HB2 ARG 21 1HB ARG 21 -11.264 16.236 -4.093 133 HB3 ARG 21 2HB ARG 21 -10.409 17.772 -4.137 134 HG2 ARG 21 1HG ARG 21 -12.758 18.710 -4.815 135 HG3 ARG 21 2HG ARG 21 -13.333 17.229 -4.048 136 HD2 ARG 21 1HD ARG 21 -11.499 19.241 -2.752 137 HD3 ARG 21 2HD ARG 21 -13.244 19.171 -2.509 138 HE ARG 21 HE ARG 21 -12.546 16.705 -1.814 139 HH11 ARG 21 2HH1 ARG 21 -11.105 19.768 -0.999 140 HH12 ARG 21 1HH1 ARG 21 -10.522 19.231 0.542 141 HH21 ARG 21 2HH2 ARG 21 -11.784 15.987 0.212 142 HH22 ARG 21 1HH2 ARG 21 -10.908 17.080 1.229 143 H ASN 22 H ASN 22 -9.680 15.148 -5.295 144 HA ASN 22 HA ASN 22 -7.235 16.181 -6.552 145 HB2 ASN 22 1HB ASN 22 -6.265 14.207 -5.070 146 HB3 ASN 22 2HB ASN 22 -6.630 15.782 -4.370 147 HD21 ASN 22 1HD2 ASN 22 -7.947 15.855 -2.688 148 HD22 ASN 22 2HD2 ASN 22 -8.949 14.559 -2.138 149 H LYS 23 H LYS 23 -6.792 15.371 -8.485 150 HA LYS 23 HA LYS 23 -7.848 12.789 -9.289 151 HB2 LYS 23 1HB LYS 23 -7.039 13.363 -11.510 152 HB3 LYS 23 2HB LYS 23 -7.955 14.705 -10.836 153 HG2 LYS 23 1HG LYS 23 -6.128 16.053 -10.670 154 HG3 LYS 23 2HG LYS 23 -5.013 14.703 -10.451 155 HD2 LYS 23 1HD LYS 23 -4.839 14.306 -12.712 156 HD3 LYS 23 2HD LYS 23 -6.417 15.014 -13.065 157 HE2 LYS 23 1HE LYS 23 -5.600 17.148 -13.116 158 HE3 LYS 23 2HE LYS 23 -4.300 16.793 -11.979 159 HZ1 LYS 23 1HZ LYS 23 -3.258 15.467 -13.806 160 HZ2 LYS 23 2HZ LYS 23 -3.313 17.135 -14.082 161 HZ3 LYS 23 3HZ LYS 23 -4.412 16.113 -14.861 162 H GLY 24 H GLY 24 -4.831 14.210 -8.309 163 HA2 GLY 24 1HA GLY 24 -2.860 13.177 -7.696 164 HA3 GLY 24 2HA GLY 24 -3.623 11.629 -8.024 165 HA PRO 25 HA PRO 25 -2.338 10.161 -8.251 166 HB2 PRO 25 1HB PRO 25 0.240 9.324 -8.390 167 HB3 PRO 25 2HB PRO 25 -1.015 8.755 -9.496 168 HG2 PRO 25 1HG PRO 25 1.063 10.868 -9.916 169 HG3 PRO 25 2HG PRO 25 0.522 9.595 -11.025 170 HD2 PRO 25 1HD PRO 25 -0.335 12.157 -11.218 171 HD3 PRO 25 2HD PRO 25 -1.354 10.773 -11.661 172 H VAL 26 H VAL 26 -1.326 9.919 -6.162 173 HA VAL 26 HA VAL 26 -0.107 12.427 -5.233 174 HB VAL 26 HB VAL 26 -0.820 11.766 -2.981 175 HG11 VAL 26 1HG1 VAL 26 -2.902 11.822 -5.146 176 HG12 VAL 26 2HG1 VAL 26 -3.326 11.815 -3.433 177 HG13 VAL 26 3HG1 VAL 26 -2.367 13.136 -4.100 178 HG21 VAL 26 1HG2 VAL 26 -1.552 9.261 -4.398 179 HG22 VAL 26 2HG2 VAL 26 -0.872 9.492 -2.787 180 HG23 VAL 26 3HG2 VAL 26 -2.587 9.792 -3.072 181 H SER 27 H SER 27 1.824 12.464 -4.184 182 HA SER 27 HA SER 27 3.393 9.995 -4.279 183 HB2 SER 27 1HB SER 27 4.434 11.859 -5.393 184 HB3 SER 27 2HB SER 27 4.203 12.895 -3.984 185 HG SER 27 HG SER 27 5.676 11.608 -2.856 186 H ILE 28 H ILE 28 3.211 8.825 -2.475 187 HA ILE 28 HA ILE 28 3.140 10.195 0.118 188 HB ILE 28 HB ILE 28 2.223 8.251 1.067 189 HG12 ILE 28 1HG1 ILE 28 1.997 6.184 -0.606 190 HG13 ILE 28 2HG1 ILE 28 3.451 6.902 -1.290 191 HG21 ILE 28 1HG2 ILE 28 1.118 8.605 -1.713 192 HG22 ILE 28 2HG2 ILE 28 0.320 7.677 -0.444 193 HG23 ILE 28 3HG2 ILE 28 0.586 9.407 -0.235 194 HD11 ILE 28 1HD1 ILE 28 3.505 5.083 0.646 195 HD12 ILE 28 2HD1 ILE 28 4.722 6.351 0.494 196 HD13 ILE 28 3HD1 ILE 28 3.395 6.536 1.640 197 H LYS 29 H LYS 29 4.574 9.689 1.775 198 HA LYS 29 HA LYS 29 7.029 8.313 0.902 199 HB2 LYS 29 1HB LYS 29 6.927 10.866 1.613 200 HB3 LYS 29 2HB LYS 29 7.026 10.181 3.229 201 HG2 LYS 29 1HG LYS 29 9.040 8.851 2.193 202 HG3 LYS 29 2HG LYS 29 9.042 10.192 1.045 203 HD2 LYS 29 1HD LYS 29 9.309 11.786 2.827 204 HD3 LYS 29 2HD LYS 29 9.120 10.520 4.043 205 HE2 LYS 29 1HE LYS 29 11.423 10.843 3.945 206 HE3 LYS 29 2HE LYS 29 11.162 9.431 2.922 207 HZ1 LYS 29 1HZ LYS 29 12.419 10.613 1.500 208 HZ2 LYS 29 2HZ LYS 29 12.040 12.104 2.202 209 HZ3 LYS 29 3HZ LYS 29 10.956 11.376 1.127 210 H VAL 30 H VAL 30 7.457 6.441 1.853 211 HA VAL 30 HA VAL 30 6.023 5.712 4.290 212 HB VAL 30 HB VAL 30 7.696 4.044 2.408 213 HG11 VAL 30 1HG1 VAL 30 6.371 2.216 3.815 214 HG12 VAL 30 2HG1 VAL 30 7.957 2.815 4.303 215 HG13 VAL 30 3HG1 VAL 30 6.499 3.461 5.056 216 HG21 VAL 30 1HG2 VAL 30 4.955 4.882 2.379 217 HG22 VAL 30 2HG2 VAL 30 5.838 3.919 1.194 218 HG23 VAL 30 3HG2 VAL 30 5.044 3.130 2.556 219 H GLN 31 H GLN 31 7.001 6.330 6.112 220 HA GLN 31 HA GLN 31 9.842 6.622 6.325 221 HB2 GLN 31 1HB GLN 31 7.994 7.933 7.570 222 HB3 GLN 31 2HB GLN 31 7.953 6.554 8.661 223 HG2 GLN 31 1HG GLN 31 10.195 8.476 8.160 224 HG3 GLN 31 2HG GLN 31 9.377 8.104 9.676 225 HE21 GLN 31 1HE2 GLN 31 11.923 7.302 7.555 226 HE22 GLN 31 2HE2 GLN 31 12.576 5.986 8.463 227 H VAL 32 H VAL 32 11.022 4.802 6.235 228 HA VAL 32 HA VAL 32 10.130 2.392 7.595 229 HB VAL 32 HB VAL 32 12.680 2.833 6.038 230 HG11 VAL 32 1HG1 VAL 32 11.603 0.155 6.061 231 HG12 VAL 32 2HG1 VAL 32 13.210 0.726 6.516 232 HG13 VAL 32 3HG1 VAL 32 11.900 0.737 7.698 233 HG21 VAL 32 1HG2 VAL 32 11.357 2.979 4.245 234 HG22 VAL 32 2HG2 VAL 32 11.013 1.268 4.498 235 HG23 VAL 32 3HG2 VAL 32 9.928 2.492 5.157 236 HA PRO 33 HA PRO 33 12.452 3.707 11.207 237 HB2 PRO 33 1HB PRO 33 11.571 1.689 12.796 238 HB3 PRO 33 2HB PRO 33 10.605 3.127 12.445 239 HG2 PRO 33 1HG PRO 33 10.469 0.405 11.207 240 HG3 PRO 33 2HG PRO 33 9.146 1.470 11.716 241 HD2 PRO 33 1HD PRO 33 9.920 1.242 9.132 242 HD3 PRO 33 2HD PRO 33 9.275 2.753 9.805 243 H ASN 34 H ASN 34 14.268 2.932 12.310 244 HA ASN 34 HA ASN 34 15.669 0.778 10.945 245 HB2 ASN 34 1HB ASN 34 16.994 2.727 11.235 246 HB3 ASN 34 2HB ASN 34 16.531 2.881 12.927 247 HD21 ASN 34 1HD2 ASN 34 18.803 2.999 13.356 248 HD22 ASN 34 2HD2 ASN 34 19.739 1.551 13.457 249 H MET 35 H MET 35 15.314 -1.219 11.659 250 HA MET 35 HA MET 35 14.803 -1.666 14.506 251 HB2 MET 35 1HB MET 35 14.205 -3.155 12.002 252 HB3 MET 35 2HB MET 35 14.459 -4.102 13.462 253 HG2 MET 35 1HG MET 35 12.530 -1.808 13.368 254 HG3 MET 35 2HG MET 35 12.076 -3.442 12.889 255 HE1 MET 35 1HE MET 35 10.213 -4.115 15.362 256 HE2 MET 35 2HE MET 35 10.378 -2.568 16.193 257 HE3 MET 35 3HE MET 35 10.297 -2.619 14.431 258 H GLN 36 H GLN 36 16.698 -1.761 15.579 259 HA GLN 36 HA GLN 36 19.113 -2.767 14.539 260 HB2 GLN 36 1HB GLN 36 19.107 -1.239 16.417 261 HB3 GLN 36 2HB GLN 36 18.211 -2.391 17.398 262 HG2 GLN 36 1HG GLN 36 20.049 -3.810 17.626 263 HG3 GLN 36 2HG GLN 36 20.904 -3.063 16.277 264 HE21 GLN 36 1HE2 GLN 36 21.490 -3.510 19.222 265 HE22 GLN 36 2HE2 GLN 36 22.030 -1.966 19.776 266 H ASP 37 H ASP 37 16.461 -4.283 16.246 267 HA ASP 37 HA ASP 37 17.417 -6.587 17.243 268 HB2 ASP 37 1HB ASP 37 14.938 -6.018 15.663 269 HB3 ASP 37 2HB ASP 37 15.295 -7.678 16.133 270 H LYS 38 H LYS 38 17.417 -5.692 13.892 271 HA LYS 38 HA LYS 38 18.428 -6.612 12.071 272 HB2 LYS 38 1HB LYS 38 20.258 -7.057 13.773 273 HB3 LYS 38 2HB LYS 38 19.603 -8.681 13.928 274 HG2 LYS 38 1HG LYS 38 21.319 -8.956 12.408 275 HG3 LYS 38 2HG LYS 38 19.900 -8.802 11.369 276 HD2 LYS 38 1HD LYS 38 20.443 -6.596 10.772 277 HD3 LYS 38 2HD LYS 38 21.587 -6.428 12.105 278 HE2 LYS 38 1HE LYS 38 22.929 -6.696 10.205 279 HE3 LYS 38 2HE LYS 38 22.917 -8.286 10.966 280 HZ1 LYS 38 1HZ LYS 38 22.585 -8.294 8.512 281 HZ2 LYS 38 2HZ LYS 38 21.099 -7.522 8.751 282 HZ3 LYS 38 3HZ LYS 38 21.358 -9.071 9.380 283 H THR 39 H THR 39 15.849 -7.268 12.381 284 HA THR 39 HA THR 39 15.440 -10.117 12.319 285 HB THR 39 HB THR 39 13.685 -8.670 13.209 286 HG1 THR 39 1HG THR 39 13.008 -10.616 12.246 287 HG21 THR 39 1HG2 THR 39 12.481 -7.103 11.897 288 HG22 THR 39 2HG2 THR 39 13.250 -7.651 10.408 289 HG23 THR 39 3HG2 THR 39 14.188 -6.769 11.612 290 H GLU 40 H GLU 40 13.747 -10.684 10.357 291 HA GLU 40 HA GLU 40 15.439 -10.620 8.011 292 HB2 GLU 40 1HB GLU 40 13.860 -12.212 7.065 293 HB3 GLU 40 2HB GLU 40 14.319 -12.703 8.689 294 HG2 GLU 40 1HG GLU 40 11.828 -11.119 8.203 295 HG3 GLU 40 2HG GLU 40 11.855 -12.870 8.000 296 H TRP 41 H TRP 41 14.231 -8.120 8.854 297 HA TRP 41 HA TRP 41 12.586 -7.566 6.472 298 HB2 TRP 41 1HB TRP 41 12.400 -6.270 9.200 299 HB3 TRP 41 2HB TRP 41 11.484 -5.774 7.780 300 HD1 TRP 41 HD TRP 41 11.041 -9.042 7.012 301 HE1 TRP 41 1HE TRP 41 9.109 -10.219 8.238 302 HE3 TRP 41 3HE TRP 41 10.461 -5.794 10.917 303 HZ2 TRP 41 2HZ TRP 41 7.544 -9.823 10.554 304 HZ3 TRP 41 3HZ TRP 41 8.723 -6.266 12.595 305 HH2 TRP 41 HH TRP 41 7.296 -8.239 12.415 306 H LYS 42 H LYS 42 13.168 -5.880 5.205 307 HA LYS 42 HA LYS 42 15.787 -4.806 5.489 308 HB2 LYS 42 1HB LYS 42 13.524 -4.158 3.598 309 HB3 LYS 42 2HB LYS 42 15.109 -3.402 3.499 310 HG2 LYS 42 1HG LYS 42 14.781 -6.381 3.426 311 HG3 LYS 42 2HG LYS 42 14.637 -5.389 1.973 312 HD2 LYS 42 1HD LYS 42 17.016 -4.985 3.709 313 HD3 LYS 42 2HD LYS 42 16.949 -6.449 2.724 314 HE2 LYS 42 1HE LYS 42 16.368 -4.854 0.787 315 HE3 LYS 42 2HE LYS 42 16.972 -3.580 1.846 316 HZ1 LYS 42 1HZ LYS 42 18.523 -5.983 1.049 317 HZ2 LYS 42 2HZ LYS 42 19.092 -4.670 1.951 318 HZ3 LYS 42 3HZ LYS 42 18.672 -4.461 0.325 319 H LEU 43 H LEU 43 15.372 -3.915 7.694 320 HA LEU 43 HA LEU 43 14.217 -1.210 7.521 321 HB2 LEU 43 1HB LEU 43 14.433 -2.999 9.938 322 HB3 LEU 43 2HB LEU 43 13.780 -1.362 9.927 323 HG LEU 43 HG LEU 43 12.586 -3.726 8.479 324 HD11 LEU 43 1HD1 LEU 43 12.462 -3.838 10.966 325 HD12 LEU 43 2HD1 LEU 43 10.894 -3.737 10.166 326 HD13 LEU 43 3HD1 LEU 43 11.581 -2.310 10.940 327 HD21 LEU 43 1HD2 LEU 43 11.620 -0.893 8.850 328 HD22 LEU 43 2HD2 LEU 43 10.660 -2.210 8.175 329 HD23 LEU 43 3HD2 LEU 43 12.109 -1.653 7.336 330 H ASN 44 H ASN 44 15.980 0.019 7.104 331 HA ASN 44 HA ASN 44 18.089 0.016 9.147 332 HB2 ASN 44 1HB ASN 44 18.403 -0.245 6.188 333 HB3 ASN 44 2HB ASN 44 19.604 0.686 7.078 334 HD21 ASN 44 1HD2 ASN 44 21.322 -0.464 7.532 335 HD22 ASN 44 2HD2 ASN 44 21.351 -2.138 7.958 336 H GLY 45 H GLY 45 16.038 1.731 9.346 337 HA2 GLY 45 1HA GLY 45 15.417 3.950 9.340 338 HA3 GLY 45 2HA GLY 45 17.139 4.222 9.562 339 H GLN 46 H GLN 46 14.525 4.084 7.243 340 HA GLN 46 HA GLN 46 15.877 5.973 5.550 341 HB2 GLN 46 1HB GLN 46 15.779 4.576 3.513 342 HB3 GLN 46 2HB GLN 46 16.899 3.943 4.711 343 HG2 GLN 46 1HG GLN 46 15.274 2.279 5.391 344 HG3 GLN 46 2HG GLN 46 14.099 2.938 4.253 345 HE21 GLN 46 1HE2 GLN 46 14.668 0.329 4.084 346 HE22 GLN 46 2HE2 GLN 46 15.625 -0.007 2.686 347 H GLY 47 H GLY 47 14.463 6.257 3.441 348 HA2 GLY 47 1HA GLY 47 11.620 5.946 4.148 349 HA3 GLY 47 2HA GLY 47 12.246 7.526 3.701 350 H LEU 48 H LEU 48 10.296 5.439 2.502 351 HA LEU 48 HA LEU 48 11.486 5.352 -0.189 352 HB2 LEU 48 1HB LEU 48 9.185 3.738 0.899 353 HB3 LEU 48 2HB LEU 48 9.930 3.562 -0.689 354 HG LEU 48 HG LEU 48 11.226 2.945 1.966 355 HD11 LEU 48 1HD1 LEU 48 9.389 1.418 0.907 356 HD12 LEU 48 2HD1 LEU 48 10.873 0.714 1.549 357 HD13 LEU 48 3HD1 LEU 48 10.692 0.954 -0.189 358 HD21 LEU 48 1HD2 LEU 48 12.908 3.736 0.470 359 HD22 LEU 48 2HD2 LEU 48 12.260 2.775 -0.859 360 HD23 LEU 48 3HD2 LEU 48 13.020 1.977 0.519 361 H VAL 49 H VAL 49 10.064 5.758 -2.008 362 HA VAL 49 HA VAL 49 7.698 7.380 -1.375 363 HB VAL 49 HB VAL 49 9.869 8.197 -3.312 364 HG11 VAL 49 1HG1 VAL 49 7.514 9.887 -2.580 365 HG12 VAL 49 2HG1 VAL 49 8.553 9.967 -4.005 366 HG13 VAL 49 3HG1 VAL 49 7.369 8.669 -3.848 367 HG21 VAL 49 1HG2 VAL 49 10.801 9.198 -1.560 368 HG22 VAL 49 2HG2 VAL 49 9.370 10.222 -1.444 369 HG23 VAL 49 3HG2 VAL 49 9.462 8.726 -0.514 370 H PHE 50 H PHE 50 6.012 7.144 -2.758 371 HA PHE 50 HA PHE 50 6.422 5.787 -5.308 372 HB2 PHE 50 1HB PHE 50 4.279 4.793 -3.443 373 HB3 PHE 50 2HB PHE 50 4.909 4.026 -4.897 374 HD1 PHE 50 1HD PHE 50 7.649 3.764 -4.682 375 HD2 PHE 50 2HD PHE 50 4.803 3.683 -1.518 376 HE1 PHE 50 1HE PHE 50 9.214 2.448 -3.313 377 HE2 PHE 50 2HE PHE 50 6.364 2.368 -0.143 378 HZ PHE 50 HZ PHE 50 8.572 1.750 -1.040 379 H THR 51 H THR 51 4.983 6.369 -6.870 380 HA THR 51 HA THR 51 2.939 8.341 -6.086 381 HB THR 51 HB THR 51 4.242 8.090 -8.801 382 HG1 THR 51 1HG THR 51 5.410 9.989 -8.096 383 HG21 THR 51 1HG2 THR 51 3.362 10.453 -8.997 384 HG22 THR 51 2HG2 THR 51 2.431 10.138 -7.533 385 HG23 THR 51 3HG2 THR 51 2.140 9.183 -8.986 386 H LEU 52 H LEU 52 1.010 7.373 -6.026 387 HA LEU 52 HA LEU 52 0.159 5.855 -8.385 388 HB2 LEU 52 1HB LEU 52 -0.526 4.992 -5.587 389 HB3 LEU 52 2HB LEU 52 -0.835 4.129 -7.093 390 HG LEU 52 HG LEU 52 1.906 4.621 -5.931 391 HD11 LEU 52 1HD1 LEU 52 1.586 2.888 -4.590 392 HD12 LEU 52 2HD1 LEU 52 1.172 1.877 -5.975 393 HD13 LEU 52 3HD1 LEU 52 -0.089 2.776 -5.131 394 HD21 LEU 52 1HD2 LEU 52 1.327 4.154 -8.507 395 HD22 LEU 52 2HD2 LEU 52 1.371 2.495 -7.911 396 HD23 LEU 52 3HD2 LEU 52 2.778 3.541 -7.715 397 HA PRO 53 HA PRO 53 -3.381 8.460 -8.136 398 HB2 PRO 53 1HB PRO 53 -5.109 6.970 -9.607 399 HB3 PRO 53 2HB PRO 53 -3.774 7.880 -10.324 400 HG2 PRO 53 1HG PRO 53 -3.938 4.966 -9.659 401 HG3 PRO 53 2HG PRO 53 -3.277 5.747 -11.107 402 HD2 PRO 53 1HD PRO 53 -1.707 4.844 -9.094 403 HD3 PRO 53 2HD PRO 53 -1.284 6.264 -10.072 404 H LEU 54 H LEU 54 -5.627 8.475 -7.405 405 HA LEU 54 HA LEU 54 -6.000 6.662 -5.164 406 HB2 LEU 54 1HB LEU 54 -7.416 9.161 -6.053 407 HB3 LEU 54 2HB LEU 54 -7.972 8.179 -4.700 408 HG LEU 54 HG LEU 54 -6.760 10.036 -3.822 409 HD11 LEU 54 1HD1 LEU 54 -5.513 8.885 -2.332 410 HD12 LEU 54 2HD1 LEU 54 -4.629 8.007 -3.580 411 HD13 LEU 54 3HD1 LEU 54 -6.257 7.498 -3.129 412 HD21 LEU 54 1HD2 LEU 54 -4.413 10.463 -4.425 413 HD22 LEU 54 2HD2 LEU 54 -5.504 10.667 -5.796 414 HD23 LEU 54 3HD2 LEU 54 -4.517 9.211 -5.663 415 H THR 55 H THR 55 -6.513 4.745 -6.302 416 HA THR 55 HA THR 55 -9.254 4.726 -7.382 417 HB THR 55 HB THR 55 -8.249 2.621 -8.685 418 HG1 THR 55 1HG THR 55 -6.061 4.316 -8.114 419 HG21 THR 55 1HG2 THR 55 -9.387 4.702 -9.581 420 HG22 THR 55 2HG2 THR 55 -8.195 3.956 -10.645 421 HG23 THR 55 3HG2 THR 55 -7.778 5.406 -9.732 422 H ASP 56 H ASP 56 -6.699 2.487 -6.282 423 HA ASP 56 HA ASP 56 -8.700 0.694 -5.189 424 HB2 ASP 56 1HB ASP 56 -5.751 0.575 -5.642 425 HB3 ASP 56 2HB ASP 56 -6.457 -0.492 -4.430 426 H GLN 57 H GLN 57 -7.691 -0.332 -2.954 427 HA GLN 57 HA GLN 57 -7.992 1.853 -1.061 428 HB2 GLN 57 1HB GLN 57 -7.794 -1.116 -0.537 429 HB3 GLN 57 2HB GLN 57 -8.289 0.117 0.614 430 HG2 GLN 57 1HG GLN 57 -10.259 0.599 -0.737 431 HG3 GLN 57 2HG GLN 57 -9.760 -0.623 -1.905 432 HE21 GLN 57 1HE2 GLN 57 -12.220 -0.761 -0.753 433 HE22 GLN 57 2HE2 GLN 57 -12.289 -2.099 0.337 434 H VAL 58 H VAL 58 -6.654 1.267 1.111 435 HA VAL 58 HA VAL 58 -4.009 2.028 0.579 436 HB VAL 58 HB VAL 58 -5.302 0.899 3.053 437 HG11 VAL 58 1HG1 VAL 58 -3.106 0.223 3.395 438 HG12 VAL 58 2HG1 VAL 58 -2.439 1.630 2.565 439 HG13 VAL 58 3HG1 VAL 58 -3.157 1.807 4.167 440 HG21 VAL 58 1HG2 VAL 58 -5.862 3.212 2.192 441 HG22 VAL 58 2HG2 VAL 58 -5.276 3.126 3.853 442 HG23 VAL 58 3HG2 VAL 58 -4.195 3.654 2.564 443 H SER 59 H SER 59 -5.488 -1.031 0.456 444 HA SER 59 HA SER 59 -3.481 -2.774 1.246 445 HB2 SER 59 1HB SER 59 -4.520 -4.408 -0.293 446 HB3 SER 59 2HB SER 59 -5.727 -3.540 0.655 447 HG SER 59 HG SER 59 -5.281 -3.541 -2.057 448 H VAL 60 H VAL 60 -3.927 -1.114 -1.841 449 HA VAL 60 HA VAL 60 -1.818 -2.401 -3.217 450 HB VAL 60 HB VAL 60 -1.944 -0.516 -4.804 451 HG11 VAL 60 1HG1 VAL 60 -4.582 -1.661 -3.902 452 HG12 VAL 60 2HG1 VAL 60 -4.331 -0.821 -5.433 453 HG13 VAL 60 3HG1 VAL 60 -3.483 -2.333 -5.106 454 HG21 VAL 60 1HG2 VAL 60 -4.245 0.787 -3.636 455 HG22 VAL 60 2HG2 VAL 60 -2.829 0.920 -2.593 456 HG23 VAL 60 3HG2 VAL 60 -2.752 1.488 -4.261 457 H ILE 61 H ILE 61 -1.816 -0.090 -0.732 458 HA ILE 61 HA ILE 61 0.730 1.098 -1.447 459 HB ILE 61 HB ILE 61 -0.884 1.397 1.089 460 HG12 ILE 61 1HG1 ILE 61 -0.650 3.368 -1.183 461 HG13 ILE 61 2HG1 ILE 61 -1.942 2.175 -1.101 462 HG21 ILE 61 1HG2 ILE 61 1.772 2.174 0.443 463 HG22 ILE 61 2HG2 ILE 61 0.780 3.627 0.560 464 HG23 ILE 61 3HG2 ILE 61 0.855 2.499 1.914 465 HD11 ILE 61 1HD1 ILE 61 -2.014 3.351 1.382 466 HD12 ILE 61 2HD1 ILE 61 -1.640 4.693 0.300 467 HD13 ILE 61 3HD1 ILE 61 -3.079 3.711 0.024 468 H LYS 62 H LYS 62 -0.512 -1.380 0.684 469 HA LYS 62 HA LYS 62 1.914 -1.676 2.187 470 HB2 LYS 62 1HB LYS 62 -0.607 -3.305 1.950 471 HB3 LYS 62 2HB LYS 62 0.769 -3.868 2.889 472 HG2 LYS 62 1HG LYS 62 0.640 -1.807 4.245 473 HG3 LYS 62 2HG LYS 62 -0.807 -1.343 3.346 474 HD2 LYS 62 1HD LYS 62 -1.960 -3.332 4.127 475 HD3 LYS 62 2HD LYS 62 -0.502 -3.875 4.962 476 HE2 LYS 62 1HE LYS 62 -0.593 -1.847 6.367 477 HE3 LYS 62 2HE LYS 62 -2.091 -1.381 5.563 478 HZ1 LYS 62 1HZ LYS 62 -3.023 -2.483 7.262 479 HZ2 LYS 62 2HZ LYS 62 -1.634 -3.385 7.602 480 HZ3 LYS 62 3HZ LYS 62 -2.670 -3.867 6.354 481 H VAL 63 H VAL 63 0.355 -3.458 -0.457 482 HA VAL 63 HA VAL 63 2.033 -5.606 -0.725 483 HB VAL 63 HB VAL 63 -0.014 -5.013 -2.134 484 HG11 VAL 63 1HG1 VAL 63 2.102 -3.588 -3.743 485 HG12 VAL 63 2HG1 VAL 63 0.464 -3.940 -4.297 486 HG13 VAL 63 3HG1 VAL 63 0.720 -2.847 -2.936 487 HG21 VAL 63 1HG2 VAL 63 1.249 -7.040 -2.500 488 HG22 VAL 63 2HG2 VAL 63 0.799 -6.340 -4.055 489 HG23 VAL 63 3HG2 VAL 63 2.446 -6.160 -3.451 490 H LYS 64 H LYS 64 2.571 -2.301 -1.841 491 HA LYS 64 HA LYS 64 4.875 -2.726 -3.361 492 HB2 LYS 64 1HB LYS 64 4.175 -0.304 -1.689 493 HB3 LYS 64 2HB LYS 64 5.351 -0.346 -2.997 494 HG2 LYS 64 1HG LYS 64 2.559 -1.179 -3.583 495 HG3 LYS 64 2HG LYS 64 2.904 0.539 -3.372 496 HD2 LYS 64 1HD LYS 64 4.622 -1.116 -5.175 497 HD3 LYS 64 2HD LYS 64 3.054 -0.537 -5.743 498 HE2 LYS 64 1HE LYS 64 4.424 1.179 -6.416 499 HE3 LYS 64 2HE LYS 64 3.914 1.762 -4.832 500 HZ1 LYS 64 1HZ LYS 64 6.286 0.118 -4.790 501 HZ2 LYS 64 2HZ LYS 64 5.977 1.593 -4.022 502 HZ3 LYS 64 3HZ LYS 64 6.469 1.569 -5.640 503 H ILE 65 H ILE 65 4.577 -1.854 0.078 504 HA ILE 65 HA ILE 65 7.214 -1.654 0.784 505 HB ILE 65 HB ILE 65 5.035 -2.969 2.412 506 HG12 ILE 65 1HG1 ILE 65 5.997 -0.100 2.379 507 HG13 ILE 65 2HG1 ILE 65 4.506 -0.673 1.639 508 HG21 ILE 65 1HG2 ILE 65 7.342 -1.546 3.634 509 HG22 ILE 65 2HG2 ILE 65 6.372 -2.876 4.263 510 HG23 ILE 65 3HG2 ILE 65 7.591 -3.183 3.026 511 HD11 ILE 65 1HD1 ILE 65 3.444 -0.900 3.634 512 HD12 ILE 65 2HD1 ILE 65 4.933 -1.231 4.519 513 HD13 ILE 65 3HD1 ILE 65 4.544 0.419 4.033 514 H HIS 66 H HIS 66 5.321 -4.659 1.157 515 HA HIS 66 HA HIS 66 7.364 -6.374 1.796 516 HB2 HIS 66 1HB HIS 66 5.012 -7.042 1.825 517 HB3 HIS 66 2HB HIS 66 4.954 -6.970 0.066 518 HD1 HIS 66 1HD HIS 66 5.700 -9.014 -1.198 519 HD2 HIS 66 2HD HIS 66 6.603 -9.211 2.853 520 HE1 HIS 66 1HE HIS 66 6.494 -11.367 -0.799 521 HE2 HIS 66 2HE HIS 66 6.953 -11.486 1.675 522 H GLU 67 H GLU 67 6.631 -4.964 -1.291 523 HA GLU 67 HA GLU 67 8.018 -6.752 -2.958 524 HB2 GLU 67 1HB GLU 67 6.461 -4.628 -3.435 525 HB3 GLU 67 2HB GLU 67 8.029 -3.859 -3.637 526 HG2 GLU 67 1HG GLU 67 6.804 -6.075 -5.224 527 HG3 GLU 67 2HG GLU 67 7.456 -4.535 -5.780 528 H ALA 68 H ALA 68 9.090 -3.560 -1.774 529 HA ALA 68 HA ALA 68 11.804 -4.023 -2.538 530 HB1 ALA 68 1HB ALA 68 11.506 -1.946 -0.558 531 HB2 ALA 68 2HB ALA 68 11.988 -1.826 -2.250 532 HB3 ALA 68 3HB ALA 68 10.279 -1.806 -1.817 533 H THR 69 H THR 69 10.317 -3.568 0.677 534 HA THR 69 HA THR 69 12.626 -4.813 1.931 535 HB THR 69 HB THR 69 11.579 -4.209 4.058 536 HG1 THR 69 1HG THR 69 9.384 -4.468 3.434 537 HG21 THR 69 1HG2 THR 69 12.841 -2.528 2.541 538 HG22 THR 69 2HG2 THR 69 11.933 -1.912 3.921 539 HG23 THR 69 3HG2 THR 69 11.252 -1.805 2.299 540 H GLY 70 H GLY 70 12.380 -6.548 3.499 541 HA2 GLY 70 1HA GLY 70 10.638 -8.619 2.478 542 HA3 GLY 70 2HA GLY 70 11.851 -8.799 3.737 543 H MET 71 H MET 71 9.379 -6.327 3.841 544 HA MET 71 HA MET 71 8.337 -7.548 6.283 545 HB2 MET 71 1HB MET 71 9.062 -5.053 5.986 546 HB3 MET 71 2HB MET 71 7.476 -4.870 5.249 547 HG2 MET 71 1HG MET 71 6.371 -5.479 7.241 548 HG3 MET 71 2HG MET 71 7.863 -6.061 7.976 549 HE1 MET 71 1HE MET 71 7.817 -4.967 10.053 550 HE2 MET 71 2HE MET 71 7.788 -3.235 10.385 551 HE3 MET 71 3HE MET 71 6.302 -4.071 9.930 552 HA PRO 72 HA PRO 72 4.780 -9.056 4.120 553 HB2 PRO 72 1HB PRO 72 3.315 -9.718 6.308 554 HB3 PRO 72 2HB PRO 72 4.685 -10.681 5.742 555 HG2 PRO 72 1HG PRO 72 4.572 -8.658 7.946 556 HG3 PRO 72 2HG PRO 72 5.369 -10.242 7.921 557 HD2 PRO 72 1HD PRO 72 6.721 -7.925 7.548 558 HD3 PRO 72 2HD PRO 72 7.196 -9.445 6.762 559 H ALA 73 H ALA 73 2.475 -8.612 3.950 560 HA ALA 73 HA ALA 73 1.910 -5.805 4.420 561 HB1 ALA 73 1HB ALA 73 0.422 -5.939 2.720 562 HB2 ALA 73 2HB ALA 73 1.380 -7.364 2.312 563 HB3 ALA 73 3HB ALA 73 -0.140 -7.544 3.190 564 H GLY 74 H GLY 74 2.039 -7.418 6.766 565 HA2 GLY 74 1HA GLY 74 -0.698 -6.991 7.744 566 HA3 GLY 74 2HA GLY 74 0.060 -8.554 8.014 567 H LYS 75 H LYS 75 2.038 -8.602 9.291 568 HA LYS 75 HA LYS 75 1.895 -7.571 11.761 569 HB2 LYS 75 1HB LYS 75 4.216 -8.335 10.063 570 HB3 LYS 75 2HB LYS 75 4.557 -7.501 11.573 571 HG2 LYS 75 1HG LYS 75 3.057 -9.269 12.664 572 HG3 LYS 75 2HG LYS 75 3.249 -10.162 11.153 573 HD2 LYS 75 1HD LYS 75 5.788 -9.729 11.535 574 HD3 LYS 75 2HD LYS 75 5.302 -9.445 13.208 575 HE2 LYS 75 1HE LYS 75 5.858 -11.718 13.134 576 HE3 LYS 75 2HE LYS 75 4.097 -11.690 13.055 577 HZ1 LYS 75 1HZ LYS 75 5.988 -12.116 10.810 578 HZ2 LYS 75 2HZ LYS 75 4.330 -11.858 10.596 579 HZ3 LYS 75 3HZ LYS 75 4.872 -13.222 11.438 580 H GLN 76 H GLN 76 3.335 -5.913 8.986 581 HA GLN 76 HA GLN 76 4.283 -3.656 10.362 582 HB2 GLN 76 1HB GLN 76 4.420 -2.585 8.197 583 HB3 GLN 76 2HB GLN 76 4.933 -4.261 8.049 584 HG2 GLN 76 1HG GLN 76 2.943 -4.885 6.966 585 HG3 GLN 76 2HG GLN 76 2.136 -3.383 7.414 586 HE21 GLN 76 1HE2 GLN 76 4.545 -4.835 5.343 587 HE22 GLN 76 2HE2 GLN 76 4.593 -3.561 4.177 588 H LYS 77 H LYS 77 3.430 -1.452 10.244 589 HA LYS 77 HA LYS 77 0.503 -1.308 10.075 590 HB2 LYS 77 1HB LYS 77 1.394 -1.590 12.472 591 HB3 LYS 77 2HB LYS 77 2.013 0.047 12.299 592 HG2 LYS 77 1HG LYS 77 -0.222 0.892 11.934 593 HG3 LYS 77 2HG LYS 77 -0.876 -0.747 11.988 594 HD2 LYS 77 1HD LYS 77 0.584 0.592 14.263 595 HD3 LYS 77 2HD LYS 77 -1.172 0.515 14.108 596 HE2 LYS 77 1HE LYS 77 -0.772 -2.046 13.900 597 HE3 LYS 77 2HE LYS 77 0.786 -1.684 14.642 598 HZ1 LYS 77 1HZ LYS 77 -0.159 -1.382 16.620 599 HZ2 LYS 77 2HZ LYS 77 -1.529 -2.136 15.977 600 HZ3 LYS 77 3HZ LYS 77 -1.423 -0.448 15.995 601 H LEU 78 H LEU 78 -0.226 0.447 9.035 602 HA LEU 78 HA LEU 78 1.743 2.484 8.267 603 HB2 LEU 78 1HB LEU 78 -0.959 1.872 7.077 604 HB3 LEU 78 2HB LEU 78 0.202 3.047 6.463 605 HG LEU 78 HG LEU 78 0.453 0.045 6.459 606 HD11 LEU 78 1HD1 LEU 78 0.331 2.094 4.252 607 HD12 LEU 78 2HD1 LEU 78 -0.933 0.944 4.687 608 HD13 LEU 78 3HD1 LEU 78 0.598 0.365 4.030 609 HD21 LEU 78 1HD2 LEU 78 2.619 0.873 7.003 610 HD22 LEU 78 2HD2 LEU 78 2.491 2.166 5.810 611 HD23 LEU 78 3HD2 LEU 78 2.621 0.487 5.282 612 H GLN 79 H GLN 79 1.707 4.331 9.347 613 HA GLN 79 HA GLN 79 -0.815 5.198 10.586 614 HB2 GLN 79 1HB GLN 79 1.442 4.792 11.894 615 HB3 GLN 79 2HB GLN 79 1.820 6.406 11.308 616 HG2 GLN 79 1HG GLN 79 -0.285 7.216 12.338 617 HG3 GLN 79 2HG GLN 79 -0.520 5.608 13.021 618 HE21 GLN 79 1HE2 GLN 79 0.148 5.371 15.021 619 HE22 GLN 79 2HE2 GLN 79 1.398 6.278 15.796 620 H TYR 80 H TYR 80 -1.730 7.093 10.037 621 HA TYR 80 HA TYR 80 -0.208 8.920 8.305 622 HB2 TYR 80 1HB TYR 80 -1.613 7.791 6.773 623 HB3 TYR 80 2HB TYR 80 -2.983 7.827 7.877 624 HD1 TYR 80 1HD TYR 80 -0.675 10.483 6.608 625 HD2 TYR 80 2HD TYR 80 -4.681 9.094 6.963 626 HE1 TYR 80 1HE TYR 80 -1.479 12.544 5.534 627 HE2 TYR 80 2HE TYR 80 -5.496 11.150 5.888 628 HH TYR 80 HH TYR 80 -3.505 13.877 5.393 629 H GLU 81 H GLU 81 0.104 10.588 9.665 630 HA GLU 81 HA GLU 81 -0.332 12.396 10.975 631 HB2 GLU 81 1HB GLU 81 -2.952 12.030 9.556 632 HB3 GLU 81 2HB GLU 81 -2.777 13.267 10.792 633 HG2 GLU 81 1HG GLU 81 -0.887 13.078 8.475 634 HG3 GLU 81 2HG GLU 81 -2.416 13.947 8.364 635 H GLY 82 H GLY 82 -0.520 9.776 12.137 636 HA2 GLY 82 1HA GLY 82 -0.855 9.326 14.449 637 HA3 GLY 82 2HA GLY 82 -2.191 10.468 14.448 638 H ILE 83 H ILE 83 -3.277 9.283 11.945 639 HA ILE 83 HA ILE 83 -4.945 7.320 13.195 640 HB ILE 83 HB ILE 83 -4.792 8.390 10.387 641 HG12 ILE 83 1HG1 ILE 83 -7.282 8.902 11.222 642 HG13 ILE 83 2HG1 ILE 83 -6.492 8.818 12.792 643 HG21 ILE 83 1HG2 ILE 83 -6.584 6.216 11.454 644 HG22 ILE 83 2HG2 ILE 83 -6.873 7.087 9.949 645 HG23 ILE 83 3HG2 ILE 83 -5.425 6.097 10.130 646 HD11 ILE 83 1HD1 ILE 83 -5.685 10.859 12.541 647 HD12 ILE 83 2HD1 ILE 83 -4.941 10.426 11.002 648 HD13 ILE 83 3HD1 ILE 83 -6.610 10.994 11.045 649 H PHE 84 H PHE 84 -5.294 5.152 12.396 650 HA PHE 84 HA PHE 84 -2.807 3.938 11.394 651 HB2 PHE 84 1HB PHE 84 -4.983 2.808 13.159 652 HB3 PHE 84 2HB PHE 84 -3.693 1.833 12.465 653 HD1 PHE 84 2HD PHE 84 -1.340 2.251 13.135 654 HD2 PHE 84 1HD PHE 84 -4.621 4.159 15.062 655 HE1 PHE 84 2HE PHE 84 0.112 2.816 15.039 656 HE2 PHE 84 1HE PHE 84 -3.174 4.729 16.969 657 HZ PHE 84 HZ PHE 84 -0.805 4.056 16.960 658 H ILE 85 H ILE 85 -3.758 4.652 9.255 659 HA ILE 85 HA ILE 85 -6.048 3.637 8.109 660 HB ILE 85 HB ILE 85 -4.842 3.776 5.920 661 HG12 ILE 85 1HG1 ILE 85 -2.506 4.863 7.471 662 HG13 ILE 85 2HG1 ILE 85 -2.606 3.152 7.071 663 HG21 ILE 85 1HG2 ILE 85 -4.350 6.252 6.146 664 HG22 ILE 85 2HG2 ILE 85 -5.957 5.723 6.641 665 HG23 ILE 85 3HG2 ILE 85 -4.729 6.070 7.858 666 HD11 ILE 85 1HD1 ILE 85 -1.912 3.524 5.002 667 HD12 ILE 85 2HD1 ILE 85 -3.105 4.800 4.759 668 HD13 ILE 85 3HD1 ILE 85 -1.552 5.176 5.504 669 H LYS 86 H LYS 86 -6.672 1.746 7.197 670 HA LYS 86 HA LYS 86 -4.778 -0.505 7.382 671 HB2 LYS 86 1HB LYS 86 -7.668 -0.254 8.039 672 HB3 LYS 86 2HB LYS 86 -7.129 -1.779 7.348 673 HG2 LYS 86 1HG LYS 86 -5.717 -2.232 9.151 674 HG3 LYS 86 2HG LYS 86 -5.742 -0.557 9.707 675 HD2 LYS 86 1HD LYS 86 -8.060 -0.779 10.372 676 HD3 LYS 86 2HD LYS 86 -8.119 -2.418 9.720 677 HE2 LYS 86 1HE LYS 86 -6.754 -3.267 11.405 678 HE3 LYS 86 2HE LYS 86 -6.118 -1.676 11.822 679 HZ1 LYS 86 1HZ LYS 86 -7.584 -1.840 13.495 680 HZ2 LYS 86 2HZ LYS 86 -8.544 -2.989 12.709 681 HZ3 LYS 86 3HZ LYS 86 -8.716 -1.348 12.337 682 H ASP 87 H ASP 87 -4.969 -2.180 5.776 683 HA ASP 87 HA ASP 87 -5.035 -1.246 3.155 684 HB2 ASP 87 1HB ASP 87 -5.377 -3.827 2.679 685 HB3 ASP 87 2HB ASP 87 -3.857 -3.214 3.324 686 H SER 88 H SER 88 -7.563 -2.696 5.118 687 HA SER 88 HA SER 88 -9.438 -3.139 3.063 688 HB2 SER 88 1HB SER 88 -11.093 -3.308 4.849 689 HB3 SER 88 2HB SER 88 -9.611 -4.135 5.326 690 HG SER 88 HG SER 88 -9.824 -1.454 6.021 691 H ASN 89 H ASN 89 -8.595 -0.305 4.926 692 HA ASN 89 HA ASN 89 -10.880 1.228 4.109 693 HB2 ASN 89 1HB ASN 89 -8.303 1.905 5.515 694 HB3 ASN 89 2HB ASN 89 -9.446 3.156 5.033 695 HD21 ASN 89 1HD2 ASN 89 -9.169 0.161 6.877 696 HD22 ASN 89 2HD2 ASN 89 -10.374 0.562 8.048 697 H SER 90 H SER 90 -10.929 2.954 2.644 698 HA SER 90 HA SER 90 -9.014 2.685 0.455 699 HB2 SER 90 1HB SER 90 -11.614 4.233 0.567 700 HB3 SER 90 2HB SER 90 -10.636 3.946 -0.873 701 HG SER 90 HG SER 90 -12.564 2.468 -0.116 702 H LEU 91 H LEU 91 -7.985 4.495 -0.498 703 HA LEU 91 HA LEU 91 -6.929 6.347 1.352 704 HB2 LEU 91 1HB LEU 91 -6.853 6.286 -1.659 705 HB3 LEU 91 2HB LEU 91 -5.939 7.425 -0.673 706 HG LEU 91 HG LEU 91 -5.042 5.167 0.411 707 HD11 LEU 91 1HD1 LEU 91 -6.069 4.408 -2.294 708 HD12 LEU 91 2HD1 LEU 91 -6.179 3.530 -0.769 709 HD13 LEU 91 3HD1 LEU 91 -4.638 3.625 -1.622 710 HD21 LEU 91 1HD2 LEU 91 -3.564 6.791 -0.470 711 HD22 LEU 91 2HD2 LEU 91 -4.122 6.510 -2.120 712 HD23 LEU 91 3HD2 LEU 91 -3.178 5.275 -1.286 713 H ALA 92 H ALA 92 -9.266 6.720 -1.299 714 HA ALA 92 HA ALA 92 -9.694 9.444 -1.173 715 HB1 ALA 92 1HB ALA 92 -11.231 7.121 -2.108 716 HB2 ALA 92 2HB ALA 92 -12.190 8.555 -1.737 717 HB3 ALA 92 3HB ALA 92 -10.878 8.651 -2.912 718 H TYR 93 H TYR 93 -11.671 6.967 0.476 719 HA TYR 93 HA TYR 93 -13.386 8.455 1.912 720 HB2 TYR 93 1HB TYR 93 -13.427 6.079 2.150 721 HB3 TYR 93 2HB TYR 93 -11.809 6.054 2.841 722 HD1 TYR 93 1HD TYR 93 -11.444 6.922 5.149 723 HD2 TYR 93 2HD TYR 93 -15.342 6.462 3.507 724 HE1 TYR 93 1HE TYR 93 -12.404 7.040 7.410 725 HE2 TYR 93 2HE TYR 93 -16.313 6.580 5.764 726 HH TYR 93 HH TYR 93 -14.251 6.879 8.638 727 H TYR 94 H TYR 94 -10.049 7.765 2.942 728 HA TYR 94 HA TYR 94 -10.116 9.274 5.305 729 HB2 TYR 94 1HB TYR 94 -7.871 8.386 3.508 730 HB3 TYR 94 2HB TYR 94 -7.567 9.349 4.949 731 HD1 TYR 94 2HD TYR 94 -8.843 8.378 7.121 732 HD2 TYR 94 1HD TYR 94 -7.654 6.105 3.726 733 HE1 TYR 94 2HE TYR 94 -8.851 6.336 8.492 734 HE2 TYR 94 1HE TYR 94 -7.660 4.057 5.087 735 HH TYR 94 HH TYR 94 -7.901 3.200 7.125 736 H ASN 95 H ASN 95 -9.452 10.169 1.977 737 HA ASN 95 HA ASN 95 -9.462 12.213 0.958 738 HB2 ASN 95 1HB ASN 95 -9.837 13.650 3.558 739 HB3 ASN 95 2HB ASN 95 -10.488 14.032 1.966 740 HD21 ASN 95 1HD2 ASN 95 -12.099 12.472 1.111 741 HD22 ASN 95 2HD2 ASN 95 -13.227 11.793 2.231 742 H MET 96 H MET 96 -7.082 11.177 1.336 743 HA MET 96 HA MET 96 -5.321 12.825 2.886 744 HB2 MET 96 1HB MET 96 -4.675 10.811 0.725 745 HB3 MET 96 2HB MET 96 -3.527 11.506 1.862 746 HG2 MET 96 1HG MET 96 -4.926 10.499 3.701 747 HG3 MET 96 2HG MET 96 -5.790 9.622 2.441 748 HE1 MET 96 1HE MET 96 -3.843 6.706 3.805 749 HE2 MET 96 2HE MET 96 -5.273 7.723 3.981 750 HE3 MET 96 3HE MET 96 -4.962 6.894 2.455 751 H ALA 97 H ALA 97 -3.224 13.560 1.565 752 HA ALA 97 HA ALA 97 -4.061 14.990 -0.857 753 HB1 ALA 97 1HB ALA 97 -3.303 16.180 1.718 754 HB2 ALA 97 2HB ALA 97 -2.492 16.867 0.311 755 HB3 ALA 97 3HB ALA 97 -4.253 16.848 0.391 756 H SER 98 H SER 98 -2.387 15.509 -2.293 757 HA SER 98 HA SER 98 -0.391 13.696 -2.685 758 HB2 SER 98 1HB SER 98 0.736 15.438 -4.087 759 HB3 SER 98 2HB SER 98 -0.989 15.274 -4.416 760 HG SER 98 HG SER 98 -0.827 17.065 -2.537 761 H GLY 99 H GLY 99 1.975 13.910 -2.544 762 HA2 GLY 99 1HA GLY 99 3.888 14.126 -1.295 763 HA3 GLY 99 2HA GLY 99 3.299 15.732 -0.891 764 H ALA 100 H ALA 100 1.699 12.696 -0.097 765 HA ALA 100 HA ALA 100 1.582 13.456 2.681 766 HB1 ALA 100 1HB ALA 100 -0.210 12.223 1.258 767 HB2 ALA 100 2HB ALA 100 0.716 10.780 1.673 768 HB3 ALA 100 3HB ALA 100 0.019 11.777 2.950 769 H VAL 101 H VAL 101 2.071 11.742 4.372 770 HA VAL 101 HA VAL 101 4.438 10.148 3.702 771 HB VAL 101 HB VAL 101 5.401 12.163 4.569 772 HG11 VAL 101 1HG1 VAL 101 4.542 12.386 7.209 773 HG12 VAL 101 2HG1 VAL 101 4.160 13.472 5.872 774 HG13 VAL 101 3HG1 VAL 101 3.069 12.144 6.270 775 HG21 VAL 101 1HG2 VAL 101 6.430 11.307 6.704 776 HG22 VAL 101 2HG2 VAL 101 5.345 9.922 6.580 777 HG23 VAL 101 3HG2 VAL 101 6.543 10.220 5.320 778 H ILE 102 H ILE 102 3.899 8.136 4.220 779 HA ILE 102 HA ILE 102 2.149 7.661 6.524 780 HB ILE 102 HB ILE 102 2.996 5.771 4.325 781 HG12 ILE 102 1HG1 ILE 102 1.519 7.454 3.441 782 HG13 ILE 102 2HG1 ILE 102 0.591 5.972 3.646 783 HG21 ILE 102 1HG2 ILE 102 1.832 4.096 5.324 784 HG22 ILE 102 2HG2 ILE 102 2.311 4.982 6.770 785 HG23 ILE 102 3HG2 ILE 102 0.694 5.197 6.100 786 HD11 ILE 102 1HD1 ILE 102 0.194 7.244 6.031 787 HD12 ILE 102 2HD1 ILE 102 0.253 8.583 4.884 788 HD13 ILE 102 3HD1 ILE 102 -0.905 7.274 4.652 789 H HIS 103 H HIS 103 3.120 7.247 8.388 790 HA HIS 103 HA HIS 103 5.847 6.342 8.515 791 HB2 HIS 103 1HB HIS 103 3.773 6.924 10.629 792 HB3 HIS 103 2HB HIS 103 5.392 6.348 11.013 793 HD1 HIS 103 1HD HIS 103 7.351 7.983 9.860 794 HD2 HIS 103 2HD HIS 103 3.611 9.616 10.638 795 HE1 HIS 103 1HE HIS 103 7.700 10.473 9.902 796 HE2 HIS 103 2HE HIS 103 5.441 11.435 10.458 797 H LEU 104 H LEU 104 6.589 4.331 8.852 798 HA LEU 104 HA LEU 104 4.630 2.168 8.944 799 HB2 LEU 104 1HB LEU 104 6.365 2.093 7.226 800 HB3 LEU 104 2HB LEU 104 7.608 2.115 8.475 801 HG LEU 104 HG LEU 104 6.745 -0.084 9.276 802 HD11 LEU 104 1HD1 LEU 104 5.442 -1.181 7.178 803 HD12 LEU 104 2HD1 LEU 104 4.789 0.457 7.150 804 HD13 LEU 104 3HD1 LEU 104 4.645 -0.525 8.608 805 HD21 LEU 104 1HD2 LEU 104 8.447 0.496 7.192 806 HD22 LEU 104 2HD2 LEU 104 7.360 -0.708 6.499 807 HD23 LEU 104 3HD2 LEU 104 8.260 -1.076 7.971 808 H ALA 105 H ALA 105 4.491 0.686 10.570 809 HA ALA 105 HA ALA 105 6.398 0.822 12.781 810 HB1 ALA 105 1HB ALA 105 3.535 0.744 13.553 811 HB2 ALA 105 2HB ALA 105 4.922 1.422 14.406 812 HB3 ALA 105 3HB ALA 105 4.208 2.295 13.050 813 H LEU 106 H LEU 106 5.973 -0.962 14.393 814 HA LEU 106 HA LEU 106 5.187 -3.385 12.927 815 HB2 LEU 106 1HB LEU 106 7.392 -3.663 13.570 816 HB3 LEU 106 2HB LEU 106 7.153 -2.836 15.107 817 HG LEU 106 HG LEU 106 5.890 -4.806 15.922 818 HD11 LEU 106 1HD1 LEU 106 5.890 -5.503 13.196 819 HD12 LEU 106 2HD1 LEU 106 5.204 -6.403 14.548 820 HD13 LEU 106 3HD1 LEU 106 6.861 -6.716 14.030 821 HD21 LEU 106 1HD2 LEU 106 8.634 -5.543 14.919 822 HD22 LEU 106 2HD2 LEU 106 7.807 -6.162 16.348 823 HD23 LEU 106 3HD2 LEU 106 8.342 -4.482 16.297 824 H LYS 107 H LYS 107 3.159 -3.958 13.364 825 HA LYS 107 HA LYS 107 1.721 -3.227 15.670 826 HB2 LYS 107 1HB LYS 107 0.632 -3.826 13.556 827 HB3 LYS 107 2HB LYS 107 1.200 -5.482 13.722 828 HG2 LYS 107 1HG LYS 107 -0.427 -4.341 15.927 829 HG3 LYS 107 2HG LYS 107 -1.241 -4.766 14.419 830 HD2 LYS 107 1HD LYS 107 0.627 -6.720 15.694 831 HD3 LYS 107 2HD LYS 107 -1.008 -6.531 16.333 832 HE2 LYS 107 1HE LYS 107 -1.988 -7.395 14.456 833 HE3 LYS 107 2HE LYS 107 -0.684 -6.860 13.397 834 HZ1 LYS 107 1HZ LYS 107 -1.055 -9.381 14.598 835 HZ2 LYS 107 2HZ LYS 107 0.402 -8.721 15.148 836 HZ3 LYS 107 3HZ LYS 107 0.129 -8.902 13.488 837 H GLU 108 H GLU 108 1.203 -4.325 17.533 838 HA GLU 108 HA GLU 108 3.131 -6.058 18.612 839 HB2 GLU 108 1HB GLU 108 0.291 -5.582 19.534 840 HB3 GLU 108 2HB GLU 108 1.561 -6.334 20.489 841 HG2 GLU 108 1HG GLU 108 2.000 -3.608 19.376 842 HG3 GLU 108 2HG GLU 108 0.976 -3.812 20.796 843 H ARG 109 H ARG 109 3.499 -8.084 18.019 844 HA ARG 109 HA ARG 109 1.198 -9.865 17.602 845 HB2 ARG 109 1HB ARG 109 2.374 -9.070 15.447 846 HB3 ARG 109 2HB ARG 109 3.701 -10.106 15.953 847 HG2 ARG 109 1HG ARG 109 0.972 -11.271 15.862 848 HG3 ARG 109 2HG ARG 109 1.807 -10.965 14.338 849 HD2 ARG 109 1HD ARG 109 3.591 -12.397 14.915 850 HD3 ARG 109 2HD ARG 109 3.092 -12.463 16.604 851 HE ARG 109 HE ARG 109 0.976 -13.528 15.319 852 HH11 ARG 109 2HH1 ARG 109 4.396 -14.168 15.180 853 HH12 ARG 109 1HH1 ARG 109 4.198 -15.844 14.788 854 HH21 ARG 109 2HH2 ARG 109 0.704 -15.733 14.803 855 HH22 ARG 109 1HH2 ARG 109 2.098 -16.733 14.573 856 H SER 110 H SER 110 1.274 -11.333 19.163 857 HA SER 110 HA SER 110 3.276 -11.902 20.908 858 HB2 SER 110 1HB SER 110 1.108 -12.828 21.295 859 HB3 SER 110 2HB SER 110 1.162 -13.751 19.792 860 HG SER 110 HG SER 110 1.694 -15.196 21.332 861 H GLY 111 H GLY 111 5.247 -12.748 20.786 862 HA2 GLY 111 1HA GLY 111 6.681 -14.587 20.135 863 HA3 GLY 111 2HA GLY 111 5.832 -14.636 18.597 864 HA PRO 112 HA PRO 112 8.611 -10.690 18.389 865 HB2 PRO 112 1HB PRO 112 10.308 -10.265 20.465 866 HB3 PRO 112 2HB PRO 112 8.664 -9.616 20.420 867 HG2 PRO 112 1HG PRO 112 9.703 -12.046 21.826 868 HG3 PRO 112 2HG PRO 112 8.573 -10.812 22.412 869 HD2 PRO 112 1HD PRO 112 7.749 -13.223 21.495 870 HD3 PRO 112 2HD PRO 112 6.780 -11.747 21.306 871 H SER 113 H SER 113 10.206 -13.231 20.321 872 HA SER 113 HA SER 113 12.014 -13.744 18.085 873 HB2 SER 113 1HB SER 113 14.009 -13.559 19.378 874 HB3 SER 113 2HB SER 113 13.090 -12.085 19.683 875 HG SER 113 HG SER 113 12.262 -13.721 21.497 876 H SER 114 H SER 114 13.206 -15.777 18.331 877 HA SER 114 HA SER 114 12.282 -17.626 20.361 878 HB2 SER 114 1HB SER 114 11.591 -17.968 17.439 879 HB3 SER 114 2HB SER 114 11.569 -19.301 18.593 880 HG SER 114 HG SER 114 9.757 -17.308 18.210 881 H GLY 115 H GLY 115 13.819 -19.078 20.854 882 HA2 GLY 115 1HA GLY 115 15.502 -20.544 19.387 883 HA3 GLY 115 2HA GLY 115 16.303 -18.981 19.343 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.163 35.954 21.365 2 HA2 GLY 1 1HA GLY 1 -10.541 34.819 19.055 3 HA3 GLY 1 2HA GLY 1 -9.146 35.834 18.721 4 H SER 2 H SER 2 -9.793 33.372 21.213 5 HA SER 2 HA SER 2 -7.263 32.348 21.421 6 HB2 SER 2 1HB SER 2 -9.875 30.830 21.613 7 HB3 SER 2 2HB SER 2 -8.322 30.242 22.207 8 HG SER 2 HG SER 2 -9.589 32.636 23.058 9 H SER 3 H SER 3 -6.149 30.586 20.517 10 HA SER 3 HA SER 3 -7.151 29.667 17.906 11 HB2 SER 3 1HB SER 3 -5.410 31.383 17.576 12 HB3 SER 3 2HB SER 3 -4.293 30.431 18.553 13 HG SER 3 HG SER 3 -4.422 30.248 16.058 14 H GLY 4 H GLY 4 -7.054 27.527 17.563 15 HA2 GLY 4 1HA GLY 4 -5.103 25.819 18.740 16 HA3 GLY 4 2HA GLY 4 -6.633 25.701 19.597 17 H SER 5 H SER 5 -5.252 23.654 18.063 18 HA SER 5 HA SER 5 -7.069 23.282 15.787 19 HB2 SER 5 1HB SER 5 -4.348 22.250 16.465 20 HB3 SER 5 2HB SER 5 -5.388 21.263 15.438 21 HG SER 5 HG SER 5 -3.984 23.467 14.806 22 H SER 6 H SER 6 -8.667 21.844 15.868 23 HA SER 6 HA SER 6 -8.521 19.440 17.415 24 HB2 SER 6 1HB SER 6 -10.250 19.881 19.010 25 HB3 SER 6 2HB SER 6 -9.095 21.208 19.134 26 HG SER 6 HG SER 6 -10.703 22.111 17.409 27 H GLY 7 H GLY 7 -10.243 17.993 16.976 28 HA2 GLY 7 1HA GLY 7 -11.768 16.996 15.580 29 HA3 GLY 7 2HA GLY 7 -12.576 18.556 15.576 30 H THR 8 H THR 8 -9.942 16.748 14.037 31 HA THR 8 HA THR 8 -10.173 18.477 11.679 32 HB THR 8 HB THR 8 -8.079 16.374 12.258 33 HG1 THR 8 1HG THR 8 -7.814 18.027 13.736 34 HG21 THR 8 1HG2 THR 8 -7.159 18.390 10.507 35 HG22 THR 8 2HG2 THR 8 -8.738 17.875 9.912 36 HG23 THR 8 3HG2 THR 8 -7.453 16.690 10.145 37 H GLU 9 H GLU 9 -9.779 14.996 12.375 38 HA GLU 9 HA GLU 9 -10.973 14.332 9.812 39 HB2 GLU 9 1HB GLU 9 -10.369 12.046 10.316 40 HB3 GLU 9 2HB GLU 9 -8.998 13.093 10.651 41 HG2 GLU 9 1HG GLU 9 -10.893 12.275 12.818 42 HG3 GLU 9 2HG GLU 9 -9.555 11.240 12.324 43 H ASP 10 H ASP 10 -12.746 15.655 11.499 44 HA ASP 10 HA ASP 10 -14.509 13.572 12.562 45 HB2 ASP 10 1HB ASP 10 -14.342 16.547 12.934 46 HB3 ASP 10 2HB ASP 10 -15.824 15.682 13.330 47 H SER 11 H SER 11 -14.637 16.399 10.404 48 HA SER 11 HA SER 11 -17.072 15.275 9.195 49 HB2 SER 11 1HB SER 11 -16.055 18.076 9.518 50 HB3 SER 11 2HB SER 11 -17.147 17.700 8.185 51 HG SER 11 HG SER 11 -17.615 17.418 10.963 52 H LEU 12 H LEU 12 -14.603 14.160 8.510 53 HA LEU 12 HA LEU 12 -13.242 15.169 6.351 54 HB2 LEU 12 1HB LEU 12 -13.984 12.361 7.098 55 HB3 LEU 12 2HB LEU 12 -13.027 12.701 5.658 56 HG LEU 12 HG LEU 12 -12.189 13.598 8.406 57 HD11 LEU 12 1HD1 LEU 12 -10.571 11.483 7.746 58 HD12 LEU 12 2HD1 LEU 12 -12.169 10.924 7.252 59 HD13 LEU 12 3HD1 LEU 12 -11.892 11.447 8.914 60 HD21 LEU 12 1HD2 LEU 12 -11.271 14.306 5.935 61 HD22 LEU 12 2HD2 LEU 12 -10.205 12.963 6.350 62 HD23 LEU 12 3HD2 LEU 12 -10.326 14.358 7.423 63 H MET 13 H MET 13 -13.384 14.766 4.067 64 HA MET 13 HA MET 13 -16.070 15.078 3.080 65 HB2 MET 13 1HB MET 13 -13.329 15.302 1.958 66 HB3 MET 13 2HB MET 13 -14.624 14.936 0.826 67 HG2 MET 13 1HG MET 13 -14.596 17.217 0.735 68 HG3 MET 13 2HG MET 13 -15.812 16.949 1.982 69 HE1 MET 13 1HE MET 13 -14.879 18.697 4.833 70 HE2 MET 13 2HE MET 13 -15.189 19.707 3.421 71 HE3 MET 13 3HE MET 13 -16.044 18.176 3.616 72 HA PRO 14 HA PRO 14 -16.966 10.993 1.757 73 HB2 PRO 14 1HB PRO 14 -18.112 11.383 -0.672 74 HB3 PRO 14 2HB PRO 14 -18.912 11.807 0.846 75 HG2 PRO 14 1HG PRO 14 -17.432 13.567 -1.071 76 HG3 PRO 14 2HG PRO 14 -18.963 13.869 -0.228 77 HD2 PRO 14 1HD PRO 14 -16.608 14.911 0.609 78 HD3 PRO 14 2HD PRO 14 -17.910 14.469 1.732 79 H GLU 15 H GLU 15 -17.000 9.778 -0.651 80 HA GLU 15 HA GLU 15 -14.160 9.695 -1.338 81 HB2 GLU 15 1HB GLU 15 -15.590 7.638 -0.696 82 HB3 GLU 15 2HB GLU 15 -16.241 7.764 -2.324 83 HG2 GLU 15 1HG GLU 15 -13.847 7.680 -3.140 84 HG3 GLU 15 2HG GLU 15 -13.410 7.215 -1.496 85 H GLU 16 H GLU 16 -17.328 9.839 -2.946 86 HA GLU 16 HA GLU 16 -16.537 9.976 -5.574 87 HB2 GLU 16 1HB GLU 16 -18.845 11.126 -4.066 88 HB3 GLU 16 2HB GLU 16 -18.602 11.619 -5.736 89 HG2 GLU 16 1HG GLU 16 -18.602 9.209 -6.372 90 HG3 GLU 16 2HG GLU 16 -19.047 8.829 -4.709 91 H GLU 17 H GLU 17 -17.316 12.861 -3.621 92 HA GLU 17 HA GLU 17 -16.365 14.785 -5.329 93 HB2 GLU 17 1HB GLU 17 -16.373 14.709 -2.314 94 HB3 GLU 17 2HB GLU 17 -15.912 16.140 -3.224 95 HG2 GLU 17 1HG GLU 17 -18.268 16.126 -2.430 96 HG3 GLU 17 2HG GLU 17 -18.080 16.342 -4.170 97 H PHE 18 H PHE 18 -14.517 13.337 -2.642 98 HA PHE 18 HA PHE 18 -12.115 14.489 -2.829 99 HB2 PHE 18 1HB PHE 18 -12.677 12.551 -1.359 100 HB3 PHE 18 2HB PHE 18 -12.438 11.484 -2.738 101 HD1 PHE 18 2HD PHE 18 -10.506 14.398 -1.440 102 HD2 PHE 18 1HD PHE 18 -10.524 10.257 -2.424 103 HE1 PHE 18 2HE PHE 18 -8.106 14.267 -0.917 104 HE2 PHE 18 1HE PHE 18 -8.124 10.119 -1.902 105 HZ PHE 18 HZ PHE 18 -6.911 12.126 -1.148 106 H LEU 19 H LEU 19 -12.833 11.591 -4.785 107 HA LEU 19 HA LEU 19 -10.646 11.525 -6.392 108 HB2 LEU 19 1HB LEU 19 -13.518 11.001 -7.121 109 HB3 LEU 19 2HB LEU 19 -12.165 10.614 -8.181 110 HG LEU 19 HG LEU 19 -12.734 9.413 -5.473 111 HD11 LEU 19 1HD1 LEU 19 -12.479 7.598 -7.696 112 HD12 LEU 19 2HD1 LEU 19 -13.746 8.788 -7.992 113 HD13 LEU 19 3HD1 LEU 19 -13.799 7.786 -6.542 114 HD21 LEU 19 1HD2 LEU 19 -10.371 9.571 -5.681 115 HD22 LEU 19 2HD2 LEU 19 -10.419 9.048 -7.365 116 HD23 LEU 19 3HD2 LEU 19 -10.814 7.910 -6.076 117 H ARG 20 H ARG 20 -13.481 13.599 -6.806 118 HA ARG 20 HA ARG 20 -12.684 14.730 -9.273 119 HB2 ARG 20 1HB ARG 20 -14.487 15.876 -7.132 120 HB3 ARG 20 2HB ARG 20 -14.362 16.465 -8.784 121 HG2 ARG 20 1HG ARG 20 -15.346 14.507 -9.660 122 HG3 ARG 20 2HG ARG 20 -15.181 13.653 -8.125 123 HD2 ARG 20 1HD ARG 20 -17.419 14.237 -8.128 124 HD3 ARG 20 2HD ARG 20 -16.689 15.545 -7.197 125 HE ARG 20 HE ARG 20 -17.171 17.012 -8.913 126 HH11 ARG 20 2HH1 ARG 20 -17.803 13.738 -9.913 127 HH12 ARG 20 1HH1 ARG 20 -18.649 14.202 -11.352 128 HH21 ARG 20 2HH2 ARG 20 -18.283 17.636 -10.805 129 HH22 ARG 20 1HH2 ARG 20 -18.920 16.419 -11.859 130 H ARG 21 H ARG 21 -11.990 15.518 -5.931 131 HA ARG 21 HA ARG 21 -10.746 18.040 -6.574 132 HB2 ARG 21 1HB ARG 21 -11.026 16.423 -4.052 133 HB3 ARG 21 2HB ARG 21 -9.993 17.844 -4.117 134 HG2 ARG 21 1HG ARG 21 -12.788 18.121 -5.070 135 HG3 ARG 21 2HG ARG 21 -12.511 17.973 -3.334 136 HD2 ARG 21 1HD ARG 21 -10.777 19.821 -3.628 137 HD3 ARG 21 2HD ARG 21 -11.488 20.075 -5.221 138 HE ARG 21 HE ARG 21 -13.643 20.212 -3.657 139 HH11 ARG 21 2HH1 ARG 21 -10.501 21.678 -3.350 140 HH12 ARG 21 1HH1 ARG 21 -11.090 23.075 -2.512 141 HH21 ARG 21 2HH2 ARG 21 -14.432 22.046 -2.554 142 HH22 ARG 21 1HH2 ARG 21 -13.327 23.283 -2.059 143 H ASN 22 H ASN 22 -9.516 15.031 -5.094 144 HA ASN 22 HA ASN 22 -6.877 15.664 -6.233 145 HB2 ASN 22 1HB ASN 22 -7.520 13.849 -3.899 146 HB3 ASN 22 2HB ASN 22 -5.913 14.299 -4.461 147 HD21 ASN 22 1HD2 ASN 22 -8.870 15.512 -3.014 148 HD22 ASN 22 2HD2 ASN 22 -8.152 16.885 -2.249 149 H LYS 23 H LYS 23 -7.664 14.739 -8.266 150 HA LYS 23 HA LYS 23 -8.483 12.076 -8.558 151 HB2 LYS 23 1HB LYS 23 -7.689 12.344 -10.930 152 HB3 LYS 23 2HB LYS 23 -8.805 13.586 -10.378 153 HG2 LYS 23 1HG LYS 23 -6.529 14.819 -9.783 154 HG3 LYS 23 2HG LYS 23 -5.938 13.785 -11.086 155 HD2 LYS 23 1HD LYS 23 -6.615 15.558 -12.339 156 HD3 LYS 23 2HD LYS 23 -8.151 14.690 -12.263 157 HE2 LYS 23 1HE LYS 23 -8.496 16.100 -10.088 158 HE3 LYS 23 2HE LYS 23 -7.282 17.153 -10.814 159 HZ1 LYS 23 1HZ LYS 23 -8.803 17.988 -12.167 160 HZ2 LYS 23 2HZ LYS 23 -9.991 17.103 -11.352 161 HZ3 LYS 23 3HZ LYS 23 -9.248 16.454 -12.725 162 H GLY 24 H GLY 24 -5.256 13.533 -8.582 163 HA2 GLY 24 1HA GLY 24 -3.337 12.400 -7.757 164 HA3 GLY 24 2HA GLY 24 -4.135 10.869 -8.084 165 HA PRO 25 HA PRO 25 -2.691 9.488 -8.310 166 HB2 PRO 25 1HB PRO 25 -0.075 8.815 -8.577 167 HB3 PRO 25 2HB PRO 25 -1.349 8.141 -9.600 168 HG2 PRO 25 1HG PRO 25 0.560 10.374 -10.177 169 HG3 PRO 25 2HG PRO 25 0.044 9.043 -11.229 170 HD2 PRO 25 1HD PRO 25 -0.988 11.539 -11.423 171 HD3 PRO 25 2HD PRO 25 -1.938 10.083 -11.782 172 H VAL 26 H VAL 26 -1.807 9.496 -6.226 173 HA VAL 26 HA VAL 26 -0.442 11.998 -5.497 174 HB VAL 26 HB VAL 26 -1.283 11.616 -3.215 175 HG11 VAL 26 1HG1 VAL 26 -3.824 11.382 -4.577 176 HG12 VAL 26 2HG1 VAL 26 -3.112 12.768 -3.749 177 HG13 VAL 26 3HG1 VAL 26 -2.721 12.452 -5.440 178 HG21 VAL 26 1HG2 VAL 26 -1.491 9.311 -2.969 179 HG22 VAL 26 2HG2 VAL 26 -3.165 9.858 -3.056 180 HG23 VAL 26 3HG2 VAL 26 -2.400 9.134 -4.470 181 H SER 27 H SER 27 1.567 11.937 -4.727 182 HA SER 27 HA SER 27 2.884 9.377 -4.419 183 HB2 SER 27 1HB SER 27 3.966 11.283 -5.614 184 HB3 SER 27 2HB SER 27 4.031 12.159 -4.084 185 HG SER 27 HG SER 27 5.342 10.477 -3.265 186 H ILE 28 H ILE 28 2.898 8.331 -2.554 187 HA ILE 28 HA ILE 28 2.719 9.881 -0.058 188 HB ILE 28 HB ILE 28 1.819 7.903 1.010 189 HG12 ILE 28 1HG1 ILE 28 1.157 6.031 -0.783 190 HG13 ILE 28 2HG1 ILE 28 2.618 6.632 -1.560 191 HG21 ILE 28 1HG2 ILE 28 -0.289 7.652 -0.345 192 HG22 ILE 28 2HG2 ILE 28 0.172 9.308 0.047 193 HG23 ILE 28 3HG2 ILE 28 0.472 8.669 -1.568 194 HD11 ILE 28 1HD1 ILE 28 3.921 5.565 -0.117 195 HD12 ILE 28 2HD1 ILE 28 3.007 6.162 1.269 196 HD13 ILE 28 3HD1 ILE 28 2.470 4.716 0.415 197 H LYS 29 H LYS 29 4.288 9.736 1.437 198 HA LYS 29 HA LYS 29 6.682 8.240 0.743 199 HB2 LYS 29 1HB LYS 29 6.029 10.541 2.468 200 HB3 LYS 29 2HB LYS 29 7.283 9.477 3.092 201 HG2 LYS 29 1HG LYS 29 8.179 9.742 0.597 202 HG3 LYS 29 2HG LYS 29 7.307 11.270 0.742 203 HD2 LYS 29 1HD LYS 29 9.325 11.930 1.570 204 HD3 LYS 29 2HD LYS 29 8.597 11.339 3.065 205 HE2 LYS 29 1HE LYS 29 9.662 9.087 2.465 206 HE3 LYS 29 2HE LYS 29 10.624 9.997 1.301 207 HZ1 LYS 29 1HZ LYS 29 11.451 11.367 3.109 208 HZ2 LYS 29 2HZ LYS 29 11.786 9.736 3.402 209 HZ3 LYS 29 3HZ LYS 29 10.523 10.501 4.227 210 H VAL 30 H VAL 30 7.846 7.027 2.443 211 HA VAL 30 HA VAL 30 6.064 5.798 4.429 212 HB VAL 30 HB VAL 30 7.912 4.234 2.621 213 HG11 VAL 30 1HG1 VAL 30 6.429 3.592 5.085 214 HG12 VAL 30 2HG1 VAL 30 6.306 2.407 3.783 215 HG13 VAL 30 3HG1 VAL 30 7.888 2.864 4.414 216 HG21 VAL 30 1HG2 VAL 30 5.144 5.054 2.329 217 HG22 VAL 30 2HG2 VAL 30 6.233 4.315 1.154 218 HG23 VAL 30 3HG2 VAL 30 5.330 3.301 2.279 219 H GLN 31 H GLN 31 6.974 6.378 6.298 220 HA GLN 31 HA GLN 31 9.814 6.729 6.579 221 HB2 GLN 31 1HB GLN 31 7.863 7.977 7.791 222 HB3 GLN 31 2HB GLN 31 7.921 6.613 8.900 223 HG2 GLN 31 1HG GLN 31 10.091 8.602 8.306 224 HG3 GLN 31 2HG GLN 31 9.248 8.333 9.831 225 HE21 GLN 31 1HE2 GLN 31 9.439 5.976 10.602 226 HE22 GLN 31 2HE2 GLN 31 11.030 5.304 10.547 227 H VAL 32 H VAL 32 10.883 4.816 6.341 228 HA VAL 32 HA VAL 32 10.011 2.431 7.722 229 HB VAL 32 HB VAL 32 12.552 2.925 6.163 230 HG11 VAL 32 1HG1 VAL 32 11.278 0.298 6.905 231 HG12 VAL 32 2HG1 VAL 32 12.843 0.557 6.132 232 HG13 VAL 32 3HG1 VAL 32 12.596 1.039 7.811 233 HG21 VAL 32 1HG2 VAL 32 9.855 2.619 5.292 234 HG22 VAL 32 2HG2 VAL 32 11.316 2.802 4.321 235 HG23 VAL 32 3HG2 VAL 32 10.774 1.195 4.805 236 HA PRO 33 HA PRO 33 12.245 3.519 11.425 237 HB2 PRO 33 1HB PRO 33 11.628 1.253 12.786 238 HB3 PRO 33 2HB PRO 33 10.488 2.587 12.575 239 HG2 PRO 33 1HG PRO 33 10.692 0.013 11.062 240 HG3 PRO 33 2HG PRO 33 9.246 0.845 11.663 241 HD2 PRO 33 1HD PRO 33 10.039 0.986 9.078 242 HD3 PRO 33 2HD PRO 33 9.210 2.326 9.897 243 H ASN 34 H ASN 34 13.872 2.372 12.842 244 HA ASN 34 HA ASN 34 15.627 0.717 11.156 245 HB2 ASN 34 1HB ASN 34 16.771 2.723 11.650 246 HB3 ASN 34 2HB ASN 34 16.223 2.721 13.324 247 HD21 ASN 34 1HD2 ASN 34 18.456 1.368 11.034 248 HD22 ASN 34 2HD2 ASN 34 19.516 0.644 12.190 249 H MET 35 H MET 35 14.870 -1.309 11.705 250 HA MET 35 HA MET 35 14.824 -2.049 14.535 251 HB2 MET 35 1HB MET 35 13.649 -3.169 12.043 252 HB3 MET 35 2HB MET 35 14.048 -4.303 13.326 253 HG2 MET 35 1HG MET 35 11.739 -3.617 13.488 254 HG3 MET 35 2HG MET 35 12.653 -3.041 14.880 255 HE1 MET 35 1HE MET 35 10.212 -2.061 14.881 256 HE2 MET 35 2HE MET 35 10.017 -0.345 14.526 257 HE3 MET 35 3HE MET 35 9.600 -1.550 13.308 258 H GLN 36 H GLN 36 16.960 -2.255 15.099 259 HA GLN 36 HA GLN 36 18.670 -3.996 13.491 260 HB2 GLN 36 1HB GLN 36 19.673 -1.904 14.153 261 HB3 GLN 36 2HB GLN 36 19.268 -2.194 15.840 262 HG2 GLN 36 1HG GLN 36 21.458 -2.788 15.862 263 HG3 GLN 36 2HG GLN 36 20.734 -4.347 15.472 264 HE21 GLN 36 1HE2 GLN 36 20.890 -5.141 13.363 265 HE22 GLN 36 2HE2 GLN 36 22.059 -4.533 12.246 266 H ASP 37 H ASP 37 17.106 -3.816 16.619 267 HA ASP 37 HA ASP 37 18.281 -5.650 18.177 268 HB2 ASP 37 1HB ASP 37 16.151 -4.532 18.732 269 HB3 ASP 37 2HB ASP 37 15.308 -5.599 17.613 270 H LYS 38 H LYS 38 15.653 -6.737 16.030 271 HA LYS 38 HA LYS 38 17.114 -8.785 14.776 272 HB2 LYS 38 1HB LYS 38 17.158 -9.769 17.027 273 HB3 LYS 38 2HB LYS 38 15.402 -9.697 17.097 274 HG2 LYS 38 1HG LYS 38 15.914 -11.918 16.565 275 HG3 LYS 38 2HG LYS 38 15.405 -11.185 15.042 276 HD2 LYS 38 1HD LYS 38 17.535 -11.202 14.167 277 HD3 LYS 38 2HD LYS 38 18.302 -11.184 15.757 278 HE2 LYS 38 1HE LYS 38 17.242 -13.534 16.017 279 HE3 LYS 38 2HE LYS 38 17.093 -13.480 14.262 280 HZ1 LYS 38 1HZ LYS 38 19.259 -14.356 15.563 281 HZ2 LYS 38 2HZ LYS 38 19.695 -12.745 15.290 282 HZ3 LYS 38 3HZ LYS 38 19.288 -13.743 13.987 283 H THR 39 H THR 39 16.058 -8.491 12.907 284 HA THR 39 HA THR 39 13.301 -9.342 12.732 285 HB THR 39 HB THR 39 12.374 -7.381 11.783 286 HG1 THR 39 1HG THR 39 14.810 -5.964 12.001 287 HG21 THR 39 1HG2 THR 39 14.098 -6.467 14.090 288 HG22 THR 39 2HG2 THR 39 12.573 -7.341 14.246 289 HG23 THR 39 3HG2 THR 39 12.595 -5.723 13.544 290 H GLU 40 H GLU 40 12.835 -10.234 10.784 291 HA GLU 40 HA GLU 40 15.026 -10.462 8.890 292 HB2 GLU 40 1HB GLU 40 13.629 -12.182 7.818 293 HB3 GLU 40 2HB GLU 40 13.856 -12.494 9.533 294 HG2 GLU 40 1HG GLU 40 11.635 -11.564 9.987 295 HG3 GLU 40 2HG GLU 40 11.408 -11.292 8.260 296 H TRP 41 H TRP 41 13.838 -7.898 9.037 297 HA TRP 41 HA TRP 41 12.703 -7.710 6.328 298 HB2 TRP 41 1HB TRP 41 11.911 -5.884 8.597 299 HB3 TRP 41 2HB TRP 41 11.165 -6.019 7.007 300 HD1 TRP 41 HD TRP 41 10.774 -9.161 6.884 301 HE1 TRP 41 1HE TRP 41 9.027 -10.288 8.402 302 HE3 TRP 41 3HE TRP 41 10.357 -5.540 10.469 303 HZ2 TRP 41 2HZ TRP 41 7.653 -9.717 10.801 304 HZ3 TRP 41 3HZ TRP 41 8.804 -5.907 12.342 305 HH2 TRP 41 HH TRP 41 7.481 -7.953 12.502 306 H LYS 42 H LYS 42 12.958 -5.504 5.377 307 HA LYS 42 HA LYS 42 15.666 -4.566 5.890 308 HB2 LYS 42 1HB LYS 42 13.708 -3.855 3.697 309 HB3 LYS 42 2HB LYS 42 15.373 -3.296 3.788 310 HG2 LYS 42 1HG LYS 42 14.857 -6.223 3.835 311 HG3 LYS 42 2HG LYS 42 14.700 -5.355 2.306 312 HD2 LYS 42 1HD LYS 42 17.130 -4.948 3.998 313 HD3 LYS 42 2HD LYS 42 16.995 -6.395 2.996 314 HE2 LYS 42 1HE LYS 42 16.657 -3.589 1.950 315 HE3 LYS 42 2HE LYS 42 18.186 -4.467 1.923 316 HZ1 LYS 42 1HZ LYS 42 17.019 -6.218 0.626 317 HZ2 LYS 42 2HZ LYS 42 17.149 -4.737 -0.180 318 HZ3 LYS 42 3HZ LYS 42 15.677 -5.193 0.518 319 H LEU 43 H LEU 43 15.060 -3.589 7.959 320 HA LEU 43 HA LEU 43 13.791 -0.955 7.594 321 HB2 LEU 43 1HB LEU 43 13.870 -2.618 10.106 322 HB3 LEU 43 2HB LEU 43 13.086 -1.051 9.915 323 HG LEU 43 HG LEU 43 12.261 -3.541 8.427 324 HD11 LEU 43 1HD1 LEU 43 11.198 -2.347 10.979 325 HD12 LEU 43 2HD1 LEU 43 11.876 -3.957 10.746 326 HD13 LEU 43 3HD1 LEU 43 10.331 -3.536 10.007 327 HD21 LEU 43 1HD2 LEU 43 11.449 -1.769 7.193 328 HD22 LEU 43 2HD2 LEU 43 11.238 -0.739 8.609 329 HD23 LEU 43 3HD2 LEU 43 10.117 -2.069 8.310 330 H ASN 44 H ASN 44 15.590 0.276 7.251 331 HA ASN 44 HA ASN 44 17.441 0.493 9.520 332 HB2 ASN 44 1HB ASN 44 18.356 -0.797 7.451 333 HB3 ASN 44 2HB ASN 44 18.453 0.796 6.708 334 HD21 ASN 44 1HD2 ASN 44 19.599 -1.216 9.325 335 HD22 ASN 44 2HD2 ASN 44 21.024 -0.299 9.663 336 H GLY 45 H GLY 45 15.733 2.244 9.828 337 HA2 GLY 45 1HA GLY 45 14.957 4.421 9.489 338 HA3 GLY 45 2HA GLY 45 16.665 4.729 9.761 339 H GLN 46 H GLN 46 14.159 4.371 7.343 340 HA GLN 46 HA GLN 46 15.628 6.113 5.561 341 HB2 GLN 46 1HB GLN 46 15.431 4.571 3.629 342 HB3 GLN 46 2HB GLN 46 16.523 3.978 4.872 343 HG2 GLN 46 1HG GLN 46 14.485 2.664 5.731 344 HG3 GLN 46 2HG GLN 46 13.793 3.002 4.145 345 HE21 GLN 46 1HE2 GLN 46 13.906 1.188 3.025 346 HE22 GLN 46 2HE2 GLN 46 15.308 0.194 2.848 347 H GLY 47 H GLY 47 14.267 6.421 3.461 348 HA2 GLY 47 1HA GLY 47 11.398 6.326 4.142 349 HA3 GLY 47 2HA GLY 47 12.137 7.821 3.588 350 H LEU 48 H LEU 48 10.170 5.518 2.580 351 HA LEU 48 HA LEU 48 11.316 5.301 -0.116 352 HB2 LEU 48 1HB LEU 48 8.941 3.809 0.972 353 HB3 LEU 48 2HB LEU 48 9.865 3.453 -0.486 354 HG LEU 48 HG LEU 48 10.978 3.222 2.307 355 HD11 LEU 48 1HD1 LEU 48 8.997 1.650 1.381 356 HD12 LEU 48 2HD1 LEU 48 10.263 1.094 2.474 357 HD13 LEU 48 3HD1 LEU 48 10.401 0.796 0.741 358 HD21 LEU 48 1HD2 LEU 48 12.401 1.564 0.688 359 HD22 LEU 48 2HD2 LEU 48 12.882 3.205 1.121 360 HD23 LEU 48 3HD2 LEU 48 12.048 2.903 -0.404 361 H VAL 49 H VAL 49 9.902 5.607 -1.955 362 HA VAL 49 HA VAL 49 7.568 7.313 -1.425 363 HB VAL 49 HB VAL 49 9.722 7.902 -3.460 364 HG11 VAL 49 1HG1 VAL 49 7.453 8.414 -4.272 365 HG12 VAL 49 2HG1 VAL 49 7.195 9.432 -2.854 366 HG13 VAL 49 3HG1 VAL 49 8.428 9.864 -4.039 367 HG21 VAL 49 1HG2 VAL 49 10.037 8.432 -0.930 368 HG22 VAL 49 2HG2 VAL 49 10.422 9.660 -2.135 369 HG23 VAL 49 3HG2 VAL 49 8.898 9.739 -1.252 370 H PHE 50 H PHE 50 5.863 7.058 -2.803 371 HA PHE 50 HA PHE 50 6.172 5.505 -5.237 372 HB2 PHE 50 1HB PHE 50 4.141 4.584 -3.214 373 HB3 PHE 50 2HB PHE 50 4.695 3.753 -4.664 374 HD1 PHE 50 1HD PHE 50 7.302 3.248 -4.675 375 HD2 PHE 50 2HD PHE 50 4.933 3.856 -1.192 376 HE1 PHE 50 1HE PHE 50 8.960 2.016 -3.337 377 HE2 PHE 50 2HE PHE 50 6.587 2.627 0.152 378 HZ PHE 50 HZ PHE 50 8.604 1.705 -0.920 379 H THR 51 H THR 51 4.536 5.834 -6.728 380 HA THR 51 HA THR 51 2.553 7.885 -5.983 381 HB THR 51 HB THR 51 3.722 7.425 -8.733 382 HG1 THR 51 1HG THR 51 5.260 8.767 -8.175 383 HG21 THR 51 1HG2 THR 51 2.747 9.919 -8.788 384 HG22 THR 51 2HG2 THR 51 1.635 9.209 -7.617 385 HG23 THR 51 3HG2 THR 51 1.785 8.509 -9.229 386 H LEU 52 H LEU 52 0.598 7.012 -5.804 387 HA LEU 52 HA LEU 52 -0.354 5.249 -7.938 388 HB2 LEU 52 1HB LEU 52 -0.918 4.652 -5.047 389 HB3 LEU 52 2HB LEU 52 -1.259 3.645 -6.453 390 HG LEU 52 HG LEU 52 1.401 3.734 -6.651 391 HD11 LEU 52 1HD1 LEU 52 0.968 4.998 -4.201 392 HD12 LEU 52 2HD1 LEU 52 2.496 4.392 -4.838 393 HD13 LEU 52 3HD1 LEU 52 1.506 3.367 -3.800 394 HD21 LEU 52 1HD2 LEU 52 0.059 1.714 -6.556 395 HD22 LEU 52 2HD2 LEU 52 -0.165 1.921 -4.819 396 HD23 LEU 52 3HD2 LEU 52 1.440 1.583 -5.467 397 HA PRO 53 HA PRO 53 -3.834 7.952 -7.742 398 HB2 PRO 53 1HB PRO 53 -5.582 6.435 -9.161 399 HB3 PRO 53 2HB PRO 53 -4.247 7.319 -9.911 400 HG2 PRO 53 1HG PRO 53 -4.423 4.424 -9.170 401 HG3 PRO 53 2HG PRO 53 -3.770 5.164 -10.643 402 HD2 PRO 53 1HD PRO 53 -2.189 4.303 -8.620 403 HD3 PRO 53 2HD PRO 53 -1.765 5.695 -9.637 404 H LEU 54 H LEU 54 -6.216 7.838 -7.192 405 HA LEU 54 HA LEU 54 -6.530 6.189 -4.804 406 HB2 LEU 54 1HB LEU 54 -7.962 8.604 -5.865 407 HB3 LEU 54 2HB LEU 54 -8.607 7.657 -4.526 408 HG LEU 54 HG LEU 54 -7.449 9.626 -3.709 409 HD11 LEU 54 1HD1 LEU 54 -6.815 6.926 -2.995 410 HD12 LEU 54 2HD1 LEU 54 -6.974 8.347 -1.963 411 HD13 LEU 54 3HD1 LEU 54 -5.420 7.966 -2.705 412 HD21 LEU 54 1HD2 LEU 54 -4.744 8.840 -4.323 413 HD22 LEU 54 2HD2 LEU 54 -5.551 10.388 -4.578 414 HD23 LEU 54 3HD2 LEU 54 -5.672 9.118 -5.797 415 H THR 55 H THR 55 -6.934 4.191 -5.856 416 HA THR 55 HA THR 55 -9.662 3.991 -6.948 417 HB THR 55 HB THR 55 -8.779 2.024 -8.312 418 HG1 THR 55 1HG THR 55 -6.761 1.637 -7.632 419 HG21 THR 55 1HG2 THR 55 -7.643 3.683 -9.992 420 HG22 THR 55 2HG2 THR 55 -8.188 4.905 -8.842 421 HG23 THR 55 3HG2 THR 55 -9.359 3.838 -9.617 422 H ASP 56 H ASP 56 -6.993 1.982 -5.692 423 HA ASP 56 HA ASP 56 -8.929 0.153 -4.510 424 HB2 ASP 56 1HB ASP 56 -6.002 0.065 -5.083 425 HB3 ASP 56 2HB ASP 56 -6.625 -0.950 -3.785 426 H GLN 57 H GLN 57 -7.836 -0.761 -2.273 427 HA GLN 57 HA GLN 57 -8.023 1.533 -0.480 428 HB2 GLN 57 1HB GLN 57 -8.114 -1.438 0.066 429 HB3 GLN 57 2HB GLN 57 -8.279 -0.192 1.296 430 HG2 GLN 57 1HG GLN 57 -10.376 0.404 0.615 431 HG3 GLN 57 2HG GLN 57 -10.108 -0.126 -1.045 432 HE21 GLN 57 1HE2 GLN 57 -12.365 -0.721 0.590 433 HE22 GLN 57 2HE2 GLN 57 -12.418 -2.435 0.793 434 H VAL 58 H VAL 58 -6.631 1.433 1.533 435 HA VAL 58 HA VAL 58 -4.004 1.870 1.002 436 HB VAL 58 HB VAL 58 -5.064 0.652 3.556 437 HG11 VAL 58 1HG1 VAL 58 -2.538 0.665 3.125 438 HG12 VAL 58 2HG1 VAL 58 -2.652 2.418 3.292 439 HG13 VAL 58 3HG1 VAL 58 -3.118 1.371 4.633 440 HG21 VAL 58 1HG2 VAL 58 -5.303 2.928 4.348 441 HG22 VAL 58 2HG2 VAL 58 -4.694 3.554 2.816 442 HG23 VAL 58 3HG2 VAL 58 -6.240 2.709 2.870 443 H SER 59 H SER 59 -5.566 -1.219 1.415 444 HA SER 59 HA SER 59 -3.549 -2.942 2.014 445 HB2 SER 59 1HB SER 59 -4.728 -4.642 0.697 446 HB3 SER 59 2HB SER 59 -5.876 -3.643 1.589 447 HG SER 59 HG SER 59 -5.352 -3.743 -1.160 448 H VAL 60 H VAL 60 -4.182 -1.460 -1.133 449 HA VAL 60 HA VAL 60 -2.244 -2.856 -2.610 450 HB VAL 60 HB VAL 60 -2.302 -0.831 -4.135 451 HG11 VAL 60 1HG1 VAL 60 -4.559 -1.300 -4.919 452 HG12 VAL 60 2HG1 VAL 60 -3.739 -2.791 -4.451 453 HG13 VAL 60 3HG1 VAL 60 -4.946 -2.074 -3.383 454 HG21 VAL 60 1HG2 VAL 60 -3.364 0.386 -1.848 455 HG22 VAL 60 2HG2 VAL 60 -3.202 1.087 -3.458 456 HG23 VAL 60 3HG2 VAL 60 -4.698 0.276 -2.996 457 H ILE 61 H ILE 61 -2.033 -0.013 -0.565 458 HA ILE 61 HA ILE 61 0.500 0.900 -1.353 459 HB ILE 61 HB ILE 61 -0.924 1.118 1.297 460 HG12 ILE 61 1HG1 ILE 61 -0.440 3.177 -0.865 461 HG13 ILE 61 2HG1 ILE 61 -1.927 2.249 -0.698 462 HG21 ILE 61 1HG2 ILE 61 1.388 1.332 1.802 463 HG22 ILE 61 2HG2 ILE 61 1.665 2.357 0.395 464 HG23 ILE 61 3HG2 ILE 61 0.718 2.963 1.753 465 HD11 ILE 61 1HD1 ILE 61 -2.288 3.235 1.507 466 HD12 ILE 61 2HD1 ILE 61 -0.806 4.174 1.323 467 HD13 ILE 61 3HD1 ILE 61 -2.172 4.463 0.247 468 H LYS 62 H LYS 62 -0.441 -1.853 0.467 469 HA LYS 62 HA LYS 62 1.964 -2.209 1.950 470 HB2 LYS 62 1HB LYS 62 -0.124 -4.237 1.131 471 HB3 LYS 62 2HB LYS 62 1.130 -4.495 2.336 472 HG2 LYS 62 1HG LYS 62 -0.843 -2.259 2.610 473 HG3 LYS 62 2HG LYS 62 -1.231 -3.899 3.135 474 HD2 LYS 62 1HD LYS 62 0.722 -3.891 4.607 475 HD3 LYS 62 2HD LYS 62 1.123 -2.257 4.073 476 HE2 LYS 62 1HE LYS 62 -0.001 -2.098 6.178 477 HE3 LYS 62 2HE LYS 62 -1.096 -1.510 4.928 478 HZ1 LYS 62 1HZ LYS 62 -1.336 -4.330 5.489 479 HZ2 LYS 62 2HZ LYS 62 -2.540 -3.154 5.316 480 HZ3 LYS 62 3HZ LYS 62 -1.739 -3.334 6.796 481 H VAL 63 H VAL 63 0.719 -3.696 -1.037 482 HA VAL 63 HA VAL 63 2.731 -5.436 -1.646 483 HB VAL 63 HB VAL 63 0.595 -4.828 -2.988 484 HG11 VAL 63 1HG1 VAL 63 0.698 -3.240 -4.640 485 HG12 VAL 63 2HG1 VAL 63 1.684 -2.471 -3.395 486 HG13 VAL 63 3HG1 VAL 63 2.457 -3.304 -4.744 487 HG21 VAL 63 1HG2 VAL 63 2.073 -6.677 -3.546 488 HG22 VAL 63 2HG2 VAL 63 1.541 -5.851 -5.011 489 HG23 VAL 63 3HG2 VAL 63 3.165 -5.573 -4.383 490 H LYS 64 H LYS 64 2.776 -1.941 -1.934 491 HA LYS 64 HA LYS 64 5.088 -1.667 -3.501 492 HB2 LYS 64 1HB LYS 64 3.911 0.155 -1.397 493 HB3 LYS 64 2HB LYS 64 5.233 0.613 -2.462 494 HG2 LYS 64 1HG LYS 64 2.754 -0.418 -3.719 495 HG3 LYS 64 2HG LYS 64 2.710 1.197 -3.006 496 HD2 LYS 64 1HD LYS 64 3.413 1.743 -5.106 497 HD3 LYS 64 2HD LYS 64 4.982 1.443 -4.355 498 HE2 LYS 64 1HE LYS 64 3.594 -0.878 -5.564 499 HE3 LYS 64 2HE LYS 64 4.243 0.332 -6.669 500 HZ1 LYS 64 1HZ LYS 64 6.059 -0.451 -4.570 501 HZ2 LYS 64 2HZ LYS 64 6.333 -0.282 -6.230 502 HZ3 LYS 64 3HZ LYS 64 5.652 -1.708 -5.627 503 H ILE 65 H ILE 65 4.697 -1.644 0.037 504 HA ILE 65 HA ILE 65 7.408 -1.325 0.674 505 HB ILE 65 HB ILE 65 5.242 -2.707 2.261 506 HG12 ILE 65 1HG1 ILE 65 6.311 0.039 2.804 507 HG13 ILE 65 2HG1 ILE 65 5.102 -0.186 1.545 508 HG21 ILE 65 1HG2 ILE 65 6.699 -3.103 3.900 509 HG22 ILE 65 2HG2 ILE 65 7.966 -2.786 2.716 510 HG23 ILE 65 3HG2 ILE 65 7.400 -1.490 3.769 511 HD11 ILE 65 1HD1 ILE 65 4.644 -1.264 4.291 512 HD12 ILE 65 2HD1 ILE 65 4.342 0.434 3.923 513 HD13 ILE 65 3HD1 ILE 65 3.471 -0.826 3.050 514 H HIS 66 H HIS 66 5.505 -4.335 0.936 515 HA HIS 66 HA HIS 66 7.433 -6.150 1.440 516 HB2 HIS 66 1HB HIS 66 5.010 -6.655 1.108 517 HB3 HIS 66 2HB HIS 66 5.273 -6.584 -0.632 518 HD1 HIS 66 1HD HIS 66 6.442 -8.580 -1.736 519 HD2 HIS 66 2HD HIS 66 6.056 -8.940 2.385 520 HE1 HIS 66 1HE HIS 66 7.013 -10.973 -1.213 521 HE2 HIS 66 2HE HIS 66 6.690 -11.189 1.275 522 H GLU 67 H GLU 67 6.845 -4.584 -1.649 523 HA GLU 67 HA GLU 67 8.403 -6.154 -3.322 524 HB2 GLU 67 1HB GLU 67 6.938 -3.953 -3.708 525 HB3 GLU 67 2HB GLU 67 8.529 -3.206 -3.686 526 HG2 GLU 67 1HG GLU 67 7.441 -5.240 -5.593 527 HG3 GLU 67 2HG GLU 67 8.107 -3.644 -5.935 528 H ALA 68 H ALA 68 9.474 -3.057 -1.911 529 HA ALA 68 HA ALA 68 12.214 -3.545 -2.438 530 HB1 ALA 68 1HB ALA 68 11.789 -1.677 -0.274 531 HB2 ALA 68 2HB ALA 68 12.429 -1.399 -1.894 532 HB3 ALA 68 3HB ALA 68 10.687 -1.372 -1.617 533 H THR 69 H THR 69 10.565 -3.301 0.721 534 HA THR 69 HA THR 69 12.715 -4.830 1.951 535 HB THR 69 HB THR 69 11.781 -4.225 4.068 536 HG1 THR 69 1HG THR 69 9.558 -4.523 3.510 537 HG21 THR 69 1HG2 THR 69 12.882 -2.434 2.507 538 HG22 THR 69 2HG2 THR 69 12.129 -1.942 4.024 539 HG23 THR 69 3HG2 THR 69 11.264 -1.734 2.501 540 H GLY 70 H GLY 70 12.308 -6.689 3.282 541 HA2 GLY 70 1HA GLY 70 10.322 -8.442 2.097 542 HA3 GLY 70 2HA GLY 70 11.569 -8.901 3.246 543 H MET 71 H MET 71 9.064 -6.400 3.504 544 HA MET 71 HA MET 71 8.222 -7.619 6.031 545 HB2 MET 71 1HB MET 71 8.855 -5.093 5.648 546 HB3 MET 71 2HB MET 71 7.199 -4.979 5.069 547 HG2 MET 71 1HG MET 71 6.311 -5.572 7.154 548 HG3 MET 71 2HG MET 71 7.863 -6.168 7.738 549 HE1 MET 71 1HE MET 71 6.274 -4.412 9.638 550 HE2 MET 71 2HE MET 71 7.948 -4.851 9.978 551 HE3 MET 71 3HE MET 71 7.427 -3.173 10.135 552 HA PRO 72 HA PRO 72 4.607 -9.231 4.033 553 HB2 PRO 72 1HB PRO 72 3.314 -10.010 6.289 554 HB3 PRO 72 2HB PRO 72 4.680 -10.902 5.608 555 HG2 PRO 72 1HG PRO 72 4.634 -8.946 7.874 556 HG3 PRO 72 2HG PRO 72 5.488 -10.495 7.751 557 HD2 PRO 72 1HD PRO 72 6.722 -8.117 7.362 558 HD3 PRO 72 2HD PRO 72 7.203 -9.594 6.503 559 H ALA 73 H ALA 73 2.316 -8.830 3.946 560 HA ALA 73 HA ALA 73 1.661 -6.089 4.681 561 HB1 ALA 73 1HB ALA 73 0.127 -6.099 2.990 562 HB2 ALA 73 2HB ALA 73 1.242 -7.327 2.386 563 HB3 ALA 73 3HB ALA 73 -0.250 -7.811 3.192 564 H GLY 74 H GLY 74 1.816 -7.602 6.933 565 HA2 GLY 74 1HA GLY 74 -0.993 -7.655 7.784 566 HA3 GLY 74 2HA GLY 74 -0.001 -9.075 8.083 567 H LYS 75 H LYS 75 2.203 -8.446 9.154 568 HA LYS 75 HA LYS 75 1.643 -7.503 11.723 569 HB2 LYS 75 1HB LYS 75 4.179 -8.018 10.208 570 HB3 LYS 75 2HB LYS 75 4.247 -7.270 11.799 571 HG2 LYS 75 1HG LYS 75 2.700 -9.315 12.433 572 HG3 LYS 75 2HG LYS 75 3.490 -10.033 11.028 573 HD2 LYS 75 1HD LYS 75 5.570 -10.003 12.015 574 HD3 LYS 75 2HD LYS 75 5.159 -8.661 13.086 575 HE2 LYS 75 1HE LYS 75 5.262 -10.513 14.506 576 HE3 LYS 75 2HE LYS 75 3.538 -10.302 14.202 577 HZ1 LYS 75 1HZ LYS 75 3.847 -12.554 13.906 578 HZ2 LYS 75 2HZ LYS 75 5.357 -12.374 13.166 579 HZ3 LYS 75 3HZ LYS 75 3.947 -11.984 12.317 580 H GLN 76 H GLN 76 3.631 -5.911 9.220 581 HA GLN 76 HA GLN 76 4.148 -3.530 10.415 582 HB2 GLN 76 1HB GLN 76 4.408 -2.564 8.254 583 HB3 GLN 76 2HB GLN 76 4.855 -4.258 8.110 584 HG2 GLN 76 1HG GLN 76 3.017 -4.783 6.850 585 HG3 GLN 76 2HG GLN 76 2.056 -3.456 7.501 586 HE21 GLN 76 1HE2 GLN 76 3.835 -4.536 4.897 587 HE22 GLN 76 2HE2 GLN 76 4.012 -3.038 4.055 588 H LYS 77 H LYS 77 3.141 -1.555 10.688 589 HA LYS 77 HA LYS 77 0.243 -1.491 10.166 590 HB2 LYS 77 1HB LYS 77 1.097 -1.807 12.627 591 HB3 LYS 77 2HB LYS 77 1.425 -0.082 12.529 592 HG2 LYS 77 1HG LYS 77 -0.785 0.478 12.464 593 HG3 LYS 77 2HG LYS 77 -1.263 -1.045 11.712 594 HD2 LYS 77 1HD LYS 77 -2.091 -1.287 13.857 595 HD3 LYS 77 2HD LYS 77 -0.523 -2.089 13.978 596 HE2 LYS 77 1HE LYS 77 0.400 -0.391 15.224 597 HE3 LYS 77 2HE LYS 77 -0.706 0.824 14.584 598 HZ1 LYS 77 1HZ LYS 77 -0.970 -0.838 16.901 599 HZ2 LYS 77 2HZ LYS 77 -2.334 -0.910 15.904 600 HZ3 LYS 77 3HZ LYS 77 -1.796 0.582 16.493 601 H LEU 78 H LEU 78 -0.115 -0.007 8.655 602 HA LEU 78 HA LEU 78 1.667 2.244 8.309 603 HB2 LEU 78 1HB LEU 78 -0.898 1.627 6.854 604 HB3 LEU 78 2HB LEU 78 0.364 2.750 6.350 605 HG LEU 78 HG LEU 78 0.672 -0.247 6.528 606 HD11 LEU 78 1HD1 LEU 78 0.388 1.516 4.100 607 HD12 LEU 78 2HD1 LEU 78 -0.873 0.468 4.748 608 HD13 LEU 78 3HD1 LEU 78 0.616 -0.233 4.114 609 HD21 LEU 78 1HD2 LEU 78 2.734 0.291 5.153 610 HD22 LEU 78 2HD2 LEU 78 2.795 0.720 6.863 611 HD23 LEU 78 3HD2 LEU 78 2.506 1.968 5.650 612 H GLN 79 H GLN 79 1.275 4.335 8.816 613 HA GLN 79 HA GLN 79 -1.350 5.004 9.959 614 HB2 GLN 79 1HB GLN 79 0.659 4.613 11.607 615 HB3 GLN 79 2HB GLN 79 1.137 6.224 11.088 616 HG2 GLN 79 1HG GLN 79 -1.096 7.052 11.771 617 HG3 GLN 79 2HG GLN 79 -1.452 5.446 12.406 618 HE21 GLN 79 1HE2 GLN 79 -1.607 5.947 14.527 619 HE22 GLN 79 2HE2 GLN 79 -0.298 6.554 15.478 620 H TYR 80 H TYR 80 -2.008 7.174 9.741 621 HA TYR 80 HA TYR 80 -0.344 8.922 8.092 622 HB2 TYR 80 1HB TYR 80 -1.558 8.033 6.329 623 HB3 TYR 80 2HB TYR 80 -2.997 7.779 7.310 624 HD1 TYR 80 1HD TYR 80 -0.889 10.578 6.007 625 HD2 TYR 80 2HD TYR 80 -4.790 9.202 7.001 626 HE1 TYR 80 1HE TYR 80 -1.843 12.670 5.134 627 HE2 TYR 80 2HE TYR 80 -5.755 11.290 6.130 628 HH TYR 80 HH TYR 80 -5.262 13.100 4.723 629 H GLU 81 H GLU 81 -0.462 10.995 8.699 630 HA GLU 81 HA GLU 81 -0.907 12.715 10.161 631 HB2 GLU 81 1HB GLU 81 -3.459 12.109 8.713 632 HB3 GLU 81 2HB GLU 81 -3.430 13.382 9.925 633 HG2 GLU 81 1HG GLU 81 -1.667 13.238 7.490 634 HG3 GLU 81 2HG GLU 81 -3.093 14.257 7.675 635 H GLY 82 H GLY 82 -0.757 10.363 11.600 636 HA2 GLY 82 1HA GLY 82 -1.203 9.653 13.745 637 HA3 GLY 82 2HA GLY 82 -2.244 11.056 13.933 638 H ILE 83 H ILE 83 -2.624 8.610 11.440 639 HA ILE 83 HA ILE 83 -5.055 7.667 12.811 640 HB ILE 83 HB ILE 83 -4.737 8.162 9.848 641 HG12 ILE 83 1HG1 ILE 83 -6.662 9.472 11.769 642 HG13 ILE 83 2HG1 ILE 83 -5.090 10.162 11.381 643 HG21 ILE 83 1HG2 ILE 83 -7.386 7.536 10.957 644 HG22 ILE 83 2HG2 ILE 83 -6.632 7.018 9.450 645 HG23 ILE 83 3HG2 ILE 83 -6.233 6.201 10.961 646 HD11 ILE 83 1HD1 ILE 83 -6.276 9.607 8.922 647 HD12 ILE 83 2HD1 ILE 83 -7.555 10.295 9.922 648 HD13 ILE 83 3HD1 ILE 83 -6.053 11.185 9.677 649 H PHE 84 H PHE 84 -5.196 5.533 13.059 650 HA PHE 84 HA PHE 84 -3.094 3.836 12.096 651 HB2 PHE 84 1HB PHE 84 -5.509 3.450 13.828 652 HB3 PHE 84 2HB PHE 84 -4.660 2.044 13.193 653 HD1 PHE 84 2HD PHE 84 -1.913 2.545 13.389 654 HD2 PHE 84 1HD PHE 84 -4.997 3.843 16.019 655 HE1 PHE 84 2HE PHE 84 -0.279 2.703 15.221 656 HE2 PHE 84 1HE PHE 84 -3.367 4.005 17.856 657 HZ PHE 84 HZ PHE 84 -1.005 3.433 17.459 658 H ILE 85 H ILE 85 -4.123 4.778 9.850 659 HA ILE 85 HA ILE 85 -6.287 3.757 8.595 660 HB ILE 85 HB ILE 85 -4.950 3.698 6.483 661 HG12 ILE 85 1HG1 ILE 85 -2.634 4.739 8.084 662 HG13 ILE 85 2HG1 ILE 85 -2.832 3.008 7.837 663 HG21 ILE 85 1HG2 ILE 85 -5.847 5.772 6.763 664 HG22 ILE 85 2HG2 ILE 85 -5.079 6.013 8.332 665 HG23 ILE 85 3HG2 ILE 85 -4.137 6.194 6.853 666 HD11 ILE 85 1HD1 ILE 85 -3.131 4.170 5.314 667 HD12 ILE 85 2HD1 ILE 85 -1.762 4.988 6.069 668 HD13 ILE 85 3HD1 ILE 85 -1.765 3.231 5.917 669 H LYS 86 H LYS 86 -6.957 1.867 7.689 670 HA LYS 86 HA LYS 86 -5.227 -0.483 8.110 671 HB2 LYS 86 1HB LYS 86 -8.120 -0.030 8.634 672 HB3 LYS 86 2HB LYS 86 -7.646 -1.619 8.050 673 HG2 LYS 86 1HG LYS 86 -6.446 -2.111 9.946 674 HG3 LYS 86 2HG LYS 86 -6.179 -0.412 10.347 675 HD2 LYS 86 1HD LYS 86 -8.651 -0.248 10.803 676 HD3 LYS 86 2HD LYS 86 -8.720 -2.005 10.648 677 HE2 LYS 86 1HE LYS 86 -8.506 -1.631 12.947 678 HE3 LYS 86 2HE LYS 86 -6.878 -2.053 12.419 679 HZ1 LYS 86 1HZ LYS 86 -7.885 0.439 13.483 680 HZ2 LYS 86 2HZ LYS 86 -6.865 0.611 12.145 681 HZ3 LYS 86 3HZ LYS 86 -6.320 -0.203 13.524 682 H ASP 87 H ASP 87 -5.582 -2.279 6.611 683 HA ASP 87 HA ASP 87 -5.478 -1.456 3.928 684 HB2 ASP 87 1HB ASP 87 -5.865 -4.026 3.550 685 HB3 ASP 87 2HB ASP 87 -4.369 -3.454 4.283 686 H SER 88 H SER 88 -8.107 -2.678 5.906 687 HA SER 88 HA SER 88 -9.939 -3.110 3.779 688 HB2 SER 88 1HB SER 88 -10.086 -4.077 6.124 689 HB3 SER 88 2HB SER 88 -10.664 -2.495 6.647 690 HG SER 88 HG SER 88 -12.379 -3.934 6.134 691 H ASN 89 H ASN 89 -8.842 -0.304 5.415 692 HA ASN 89 HA ASN 89 -11.156 1.306 4.771 693 HB2 ASN 89 1HB ASN 89 -8.467 1.937 5.988 694 HB3 ASN 89 2HB ASN 89 -9.650 3.186 5.612 695 HD21 ASN 89 1HD2 ASN 89 -9.587 -0.002 7.176 696 HD22 ASN 89 2HD2 ASN 89 -10.540 0.462 8.541 697 H SER 90 H SER 90 -11.430 2.561 3.026 698 HA SER 90 HA SER 90 -9.686 2.267 0.793 699 HB2 SER 90 1HB SER 90 -12.164 2.564 0.617 700 HB3 SER 90 2HB SER 90 -11.958 4.239 1.130 701 HG SER 90 HG SER 90 -12.042 3.893 -1.192 702 H LEU 91 H LEU 91 -8.595 3.965 -0.351 703 HA LEU 91 HA LEU 91 -7.156 5.714 1.415 704 HB2 LEU 91 1HB LEU 91 -7.008 4.964 -1.456 705 HB3 LEU 91 2HB LEU 91 -6.260 6.480 -0.959 706 HG LEU 91 HG LEU 91 -5.579 3.954 0.486 707 HD11 LEU 91 1HD1 LEU 91 -4.066 4.820 -1.950 708 HD12 LEU 91 2HD1 LEU 91 -5.405 3.679 -2.064 709 HD13 LEU 91 3HD1 LEU 91 -3.995 3.288 -1.080 710 HD21 LEU 91 1HD2 LEU 91 -3.773 5.115 1.238 711 HD22 LEU 91 2HD2 LEU 91 -4.877 6.466 0.978 712 HD23 LEU 91 3HD2 LEU 91 -3.645 6.088 -0.227 713 H ALA 92 H ALA 92 -9.612 6.069 -1.083 714 HA ALA 92 HA ALA 92 -9.546 8.888 -1.255 715 HB1 ALA 92 1HB ALA 92 -10.627 7.903 -3.038 716 HB2 ALA 92 2HB ALA 92 -11.533 6.790 -2.012 717 HB3 ALA 92 3HB ALA 92 -11.984 8.494 -2.078 718 H TYR 93 H TYR 93 -11.452 6.662 0.733 719 HA TYR 93 HA TYR 93 -13.250 8.393 1.883 720 HB2 TYR 93 1HB TYR 93 -13.343 6.017 2.321 721 HB3 TYR 93 2HB TYR 93 -11.794 6.067 3.153 722 HD1 TYR 93 2HD TYR 93 -15.324 7.171 3.358 723 HD2 TYR 93 1HD TYR 93 -11.665 6.597 5.453 724 HE1 TYR 93 2HE TYR 93 -16.489 7.561 5.488 725 HE2 TYR 93 1HE TYR 93 -12.821 6.985 7.590 726 HH TYR 93 HH TYR 93 -16.302 7.698 7.692 727 H TYR 94 H TYR 94 -9.905 7.769 2.876 728 HA TYR 94 HA TYR 94 -9.937 9.459 5.140 729 HB2 TYR 94 1HB TYR 94 -7.677 8.432 3.422 730 HB3 TYR 94 2HB TYR 94 -7.419 9.390 4.877 731 HD1 TYR 94 2HD TYR 94 -9.107 8.385 6.881 732 HD2 TYR 94 1HD TYR 94 -7.212 6.205 3.757 733 HE1 TYR 94 2HE TYR 94 -9.214 6.344 8.248 734 HE2 TYR 94 1HE TYR 94 -7.315 4.157 5.115 735 HH TYR 94 HH TYR 94 -8.280 4.216 8.457 736 H ASN 95 H ASN 95 -9.516 10.051 1.746 737 HA ASN 95 HA ASN 95 -9.314 11.962 0.528 738 HB2 ASN 95 1HB ASN 95 -10.443 12.946 3.109 739 HB3 ASN 95 2HB ASN 95 -9.833 14.138 1.964 740 HD21 ASN 95 1HD2 ASN 95 -12.034 11.402 2.282 741 HD22 ASN 95 2HD2 ASN 95 -13.161 11.941 1.089 742 H MET 96 H MET 96 -6.953 10.956 1.272 743 HA MET 96 HA MET 96 -5.281 12.706 2.739 744 HB2 MET 96 1HB MET 96 -4.597 10.614 0.668 745 HB3 MET 96 2HB MET 96 -3.420 11.426 1.691 746 HG2 MET 96 1HG MET 96 -4.891 10.533 3.636 747 HG3 MET 96 2HG MET 96 -5.488 9.406 2.421 748 HE1 MET 96 1HE MET 96 -3.229 7.345 4.684 749 HE2 MET 96 2HE MET 96 -4.844 7.975 4.361 750 HE3 MET 96 3HE MET 96 -4.114 6.810 3.255 751 H ALA 97 H ALA 97 -3.162 13.491 1.511 752 HA ALA 97 HA ALA 97 -3.995 14.956 -0.904 753 HB1 ALA 97 1HB ALA 97 -3.365 16.983 -0.092 754 HB2 ALA 97 2HB ALA 97 -3.829 16.220 1.429 755 HB3 ALA 97 3HB ALA 97 -2.130 16.301 0.967 756 H SER 98 H SER 98 -2.405 15.338 -2.441 757 HA SER 98 HA SER 98 -0.540 13.458 -2.985 758 HB2 SER 98 1HB SER 98 -0.287 16.411 -3.607 759 HB3 SER 98 2HB SER 98 0.609 15.121 -4.410 760 HG SER 98 HG SER 98 -2.221 15.227 -4.335 761 H GLY 99 H GLY 99 1.800 13.399 -2.882 762 HA2 GLY 99 1HA GLY 99 3.745 13.349 -1.661 763 HA3 GLY 99 2HA GLY 99 3.422 15.049 -1.354 764 H ALA 100 H ALA 100 1.443 12.319 -0.314 765 HA ALA 100 HA ALA 100 1.322 13.280 2.359 766 HB1 ALA 100 1HB ALA 100 0.012 11.285 0.787 767 HB2 ALA 100 2HB ALA 100 0.520 10.580 2.322 768 HB3 ALA 100 3HB ALA 100 -0.501 12.018 2.308 769 H VAL 101 H VAL 101 1.705 11.561 4.189 770 HA VAL 101 HA VAL 101 4.247 10.161 3.783 771 HB VAL 101 HB VAL 101 4.884 12.333 4.675 772 HG11 VAL 101 1HG1 VAL 101 3.486 11.871 7.249 773 HG12 VAL 101 2HG1 VAL 101 3.913 13.383 6.444 774 HG13 VAL 101 3HG1 VAL 101 2.522 12.449 5.890 775 HG21 VAL 101 1HG2 VAL 101 5.273 10.864 7.147 776 HG22 VAL 101 2HG2 VAL 101 5.581 9.869 5.724 777 HG23 VAL 101 3HG2 VAL 101 6.454 11.385 5.945 778 H ILE 102 H ILE 102 3.790 8.124 4.291 779 HA ILE 102 HA ILE 102 1.875 7.557 6.431 780 HB ILE 102 HB ILE 102 3.146 5.642 4.471 781 HG12 ILE 102 1HG1 ILE 102 1.686 7.352 3.400 782 HG13 ILE 102 2HG1 ILE 102 1.055 5.716 3.252 783 HG21 ILE 102 1HG2 ILE 102 1.037 5.344 6.580 784 HG22 ILE 102 2HG2 ILE 102 1.112 4.254 5.197 785 HG23 ILE 102 3HG2 ILE 102 2.478 4.366 6.306 786 HD11 ILE 102 1HD1 ILE 102 0.095 7.196 5.591 787 HD12 ILE 102 2HD1 ILE 102 -0.393 7.856 4.030 788 HD13 ILE 102 3HD1 ILE 102 -0.780 6.185 4.441 789 H HIS 103 H HIS 103 2.745 7.444 8.396 790 HA HIS 103 HA HIS 103 5.485 6.718 8.835 791 HB2 HIS 103 1HB HIS 103 3.274 7.049 10.872 792 HB3 HIS 103 2HB HIS 103 5.006 7.064 11.189 793 HD1 HIS 103 1HD HIS 103 6.141 9.052 9.354 794 HD2 HIS 103 2HD HIS 103 2.389 9.585 11.056 795 HE1 HIS 103 1HE HIS 103 5.701 11.526 9.251 796 HE2 HIS 103 2HE HIS 103 3.462 11.834 10.363 797 H LEU 104 H LEU 104 6.265 4.732 9.024 798 HA LEU 104 HA LEU 104 4.448 2.482 9.269 799 HB2 LEU 104 1HB LEU 104 6.290 2.481 7.623 800 HB3 LEU 104 2HB LEU 104 7.446 2.523 8.952 801 HG LEU 104 HG LEU 104 6.440 0.314 9.704 802 HD11 LEU 104 1HD1 LEU 104 4.775 -0.632 8.580 803 HD12 LEU 104 2HD1 LEU 104 5.597 -0.403 7.038 804 HD13 LEU 104 3HD1 LEU 104 4.597 0.888 7.703 805 HD21 LEU 104 1HD2 LEU 104 7.540 -0.478 7.191 806 HD22 LEU 104 2HD2 LEU 104 8.286 -0.506 8.790 807 HD23 LEU 104 3HD2 LEU 104 8.409 0.938 7.784 808 H ALA 105 H ALA 105 4.391 1.027 10.943 809 HA ALA 105 HA ALA 105 6.199 1.376 13.202 810 HB1 ALA 105 1HB ALA 105 4.519 2.880 13.882 811 HB2 ALA 105 2HB ALA 105 3.228 1.795 13.364 812 HB3 ALA 105 3HB ALA 105 4.208 1.389 14.773 813 H LEU 106 H LEU 106 6.616 -0.494 14.258 814 HA LEU 106 HA LEU 106 5.661 -2.936 13.107 815 HB2 LEU 106 1HB LEU 106 7.961 -2.281 14.268 816 HB3 LEU 106 2HB LEU 106 7.136 -2.930 15.683 817 HG LEU 106 HG LEU 106 7.612 -4.436 13.112 818 HD11 LEU 106 1HD1 LEU 106 9.699 -4.626 13.881 819 HD12 LEU 106 2HD1 LEU 106 9.011 -5.697 15.101 820 HD13 LEU 106 3HD1 LEU 106 9.270 -3.992 15.470 821 HD21 LEU 106 1HD2 LEU 106 5.910 -5.658 13.918 822 HD22 LEU 106 2HD2 LEU 106 6.040 -4.962 15.534 823 HD23 LEU 106 3HD2 LEU 106 7.116 -6.273 15.049 824 H LYS 107 H LYS 107 3.671 -3.630 13.537 825 HA LYS 107 HA LYS 107 2.216 -2.970 15.877 826 HB2 LYS 107 1HB LYS 107 1.126 -3.505 13.740 827 HB3 LYS 107 2HB LYS 107 1.714 -5.159 13.852 828 HG2 LYS 107 1HG LYS 107 0.353 -5.571 15.786 829 HG3 LYS 107 2HG LYS 107 -0.141 -3.878 15.847 830 HD2 LYS 107 1HD LYS 107 -1.949 -4.792 14.777 831 HD3 LYS 107 2HD LYS 107 -0.945 -4.372 13.388 832 HE2 LYS 107 1HE LYS 107 -1.455 -6.527 12.845 833 HE3 LYS 107 2HE LYS 107 0.004 -6.806 13.795 834 HZ1 LYS 107 1HZ LYS 107 -1.169 -7.681 15.515 835 HZ2 LYS 107 2HZ LYS 107 -2.204 -8.124 14.253 836 HZ3 LYS 107 3HZ LYS 107 -2.560 -6.770 15.203 837 H GLU 108 H GLU 108 2.537 -3.749 17.846 838 HA GLU 108 HA GLU 108 3.762 -6.398 18.149 839 HB2 GLU 108 1HB GLU 108 3.534 -4.036 20.008 840 HB3 GLU 108 2HB GLU 108 4.060 -5.620 20.560 841 HG2 GLU 108 1HG GLU 108 5.402 -3.964 18.436 842 HG3 GLU 108 2HG GLU 108 5.946 -4.151 20.102 843 H ARG 109 H ARG 109 2.044 -7.785 17.963 844 HA ARG 109 HA ARG 109 -0.415 -7.336 19.397 845 HB2 ARG 109 1HB ARG 109 -1.094 -9.508 18.483 846 HB3 ARG 109 2HB ARG 109 -0.446 -8.460 17.228 847 HG2 ARG 109 1HG ARG 109 0.594 -10.411 16.691 848 HG3 ARG 109 2HG ARG 109 1.790 -9.729 17.795 849 HD2 ARG 109 1HD ARG 109 0.355 -11.022 19.592 850 HD3 ARG 109 2HD ARG 109 -0.100 -11.994 18.193 851 HE ARG 109 HE ARG 109 2.494 -11.881 19.473 852 HH11 ARG 109 2HH1 ARG 109 0.664 -12.815 16.663 853 HH12 ARG 109 1HH1 ARG 109 1.832 -13.978 16.128 854 HH21 ARG 109 2HH2 ARG 109 4.038 -13.409 18.780 855 HH22 ARG 109 1HH2 ARG 109 3.750 -14.316 17.334 856 H SER 110 H SER 110 -1.307 -9.060 20.839 857 HA SER 110 HA SER 110 0.742 -9.814 22.788 858 HB2 SER 110 1HB SER 110 -1.282 -8.477 23.485 859 HB3 SER 110 2HB SER 110 -2.261 -9.902 23.136 860 HG SER 110 HG SER 110 -0.136 -10.520 24.697 861 H GLY 111 H GLY 111 1.471 -11.828 22.833 862 HA2 GLY 111 1HA GLY 111 0.109 -14.150 23.096 863 HA3 GLY 111 2HA GLY 111 0.124 -13.915 21.355 864 HA PRO 112 HA PRO 112 4.321 -15.463 23.223 865 HB2 PRO 112 1HB PRO 112 3.862 -18.093 23.720 866 HB3 PRO 112 2HB PRO 112 3.674 -16.836 24.948 867 HG2 PRO 112 1HG PRO 112 1.586 -18.175 23.273 868 HG3 PRO 112 2HG PRO 112 1.547 -17.775 25.000 869 HD2 PRO 112 1HD PRO 112 0.303 -16.266 23.127 870 HD3 PRO 112 2HD PRO 112 0.998 -15.572 24.606 871 H SER 113 H SER 113 5.771 -16.987 22.146 872 HA SER 113 HA SER 113 4.729 -17.907 19.547 873 HB2 SER 113 1HB SER 113 6.883 -17.300 18.535 874 HB3 SER 113 2HB SER 113 6.115 -15.891 19.267 875 HG SER 113 HG SER 113 7.579 -15.900 20.866 876 H SER 114 H SER 114 4.435 -19.973 20.595 877 HA SER 114 HA SER 114 6.555 -21.419 21.771 878 HB2 SER 114 1HB SER 114 3.934 -21.829 21.732 879 HB3 SER 114 2HB SER 114 4.350 -22.863 20.365 880 HG SER 114 HG SER 114 5.984 -23.198 22.540 881 H GLY 115 H GLY 115 7.507 -23.429 20.887 882 HA2 GLY 115 1HA GLY 115 8.334 -24.736 19.117 883 HA3 GLY 115 2HA GLY 115 7.700 -23.557 17.979 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -9.230 27.738 1.238 2 HA2 GLY 1 1HA GLY 1 -7.886 26.010 -0.622 3 HA3 GLY 1 2HA GLY 1 -7.054 27.543 -0.406 4 H SER 2 H SER 2 -7.328 24.417 0.704 5 HA SER 2 HA SER 2 -6.972 24.614 3.458 6 HB2 SER 2 1HB SER 2 -5.946 22.373 3.313 7 HB3 SER 2 2HB SER 2 -7.406 22.482 2.329 8 HG SER 2 HG SER 2 -4.897 21.895 1.570 9 H SER 3 H SER 3 -5.285 25.052 4.767 10 HA SER 3 HA SER 3 -2.565 24.978 3.934 11 HB2 SER 3 1HB SER 3 -3.590 27.145 2.896 12 HB3 SER 3 2HB SER 3 -3.494 27.768 4.543 13 HG SER 3 HG SER 3 -1.339 27.686 4.471 14 H GLY 4 H GLY 4 -1.084 25.627 5.650 15 HA2 GLY 4 1HA GLY 4 -0.603 26.218 7.891 16 HA3 GLY 4 2HA GLY 4 -2.310 26.050 8.275 17 H SER 5 H SER 5 -3.092 24.113 8.979 18 HA SER 5 HA SER 5 -1.242 22.269 10.069 19 HB2 SER 5 1HB SER 5 -3.593 22.807 10.917 20 HB3 SER 5 2HB SER 5 -4.183 21.730 9.652 21 HG SER 5 HG SER 5 -3.351 20.035 10.675 22 H SER 6 H SER 6 -0.896 20.078 9.552 23 HA SER 6 HA SER 6 -1.389 19.445 6.719 24 HB2 SER 6 1HB SER 6 0.604 17.984 6.870 25 HB3 SER 6 2HB SER 6 0.986 19.663 7.251 26 HG SER 6 HG SER 6 0.795 17.446 8.973 27 H GLY 7 H GLY 7 -3.410 18.940 8.563 28 HA2 GLY 7 1HA GLY 7 -4.030 16.264 8.038 29 HA3 GLY 7 2HA GLY 7 -3.363 16.341 9.662 30 H THR 8 H THR 8 -6.161 16.039 8.224 31 HA THR 8 HA THR 8 -7.600 17.383 10.369 32 HB THR 8 HB THR 8 -9.307 18.011 8.380 33 HG1 THR 8 1HG THR 8 -6.681 18.214 7.293 34 HG21 THR 8 1HG2 THR 8 -8.738 20.252 8.757 35 HG22 THR 8 2HG2 THR 8 -7.034 19.872 9.008 36 HG23 THR 8 3HG2 THR 8 -8.225 19.431 10.231 37 H GLU 9 H GLU 9 -9.128 16.088 11.157 38 HA GLU 9 HA GLU 9 -9.987 13.802 9.516 39 HB2 GLU 9 1HB GLU 9 -10.025 14.107 12.524 40 HB3 GLU 9 2HB GLU 9 -10.512 12.674 11.630 41 HG2 GLU 9 1HG GLU 9 -8.400 12.080 12.231 42 HG3 GLU 9 2HG GLU 9 -8.079 12.830 10.668 43 H ASP 10 H ASP 10 -11.133 16.322 11.712 44 HA ASP 10 HA ASP 10 -13.853 15.656 11.704 45 HB2 ASP 10 1HB ASP 10 -12.607 18.403 11.940 46 HB3 ASP 10 2HB ASP 10 -14.244 17.968 12.423 47 H SER 11 H SER 11 -11.996 17.797 9.572 48 HA SER 11 HA SER 11 -14.352 18.144 7.871 49 HB2 SER 11 1HB SER 11 -11.708 19.564 8.074 50 HB3 SER 11 2HB SER 11 -12.726 19.750 6.647 51 HG SER 11 HG SER 11 -13.387 20.373 9.333 52 H LEU 12 H LEU 12 -13.780 15.647 7.600 53 HA LEU 12 HA LEU 12 -11.778 15.184 5.552 54 HB2 LEU 12 1HB LEU 12 -13.564 13.479 7.216 55 HB3 LEU 12 2HB LEU 12 -12.930 12.819 5.710 56 HG LEU 12 HG LEU 12 -11.210 13.904 7.936 57 HD11 LEU 12 1HD1 LEU 12 -10.907 11.749 8.748 58 HD12 LEU 12 2HD1 LEU 12 -11.574 11.001 7.298 59 HD13 LEU 12 3HD1 LEU 12 -12.641 11.824 8.436 60 HD21 LEU 12 1HD2 LEU 12 -10.019 11.976 6.156 61 HD22 LEU 12 2HD2 LEU 12 -9.485 13.607 6.566 62 HD23 LEU 12 3HD2 LEU 12 -10.644 13.360 5.259 63 H MET 13 H MET 13 -12.146 14.999 3.426 64 HA MET 13 HA MET 13 -14.683 15.745 2.361 65 HB2 MET 13 1HB MET 13 -12.001 15.099 1.279 66 HB3 MET 13 2HB MET 13 -13.358 14.865 0.186 67 HG2 MET 13 1HG MET 13 -12.857 17.021 -0.299 68 HG3 MET 13 2HG MET 13 -13.997 17.281 1.018 69 HE1 MET 13 1HE MET 13 -12.300 20.100 1.857 70 HE2 MET 13 2HE MET 13 -13.740 19.086 1.946 71 HE3 MET 13 3HE MET 13 -12.669 19.221 3.341 72 HA PRO 14 HA PRO 14 -16.654 11.894 1.636 73 HB2 PRO 14 1HB PRO 14 -17.681 12.192 -0.859 74 HB3 PRO 14 2HB PRO 14 -18.321 13.044 0.551 75 HG2 PRO 14 1HG PRO 14 -16.446 14.026 -1.565 76 HG3 PRO 14 2HG PRO 14 -17.831 14.852 -0.826 77 HD2 PRO 14 1HD PRO 14 -15.274 15.348 -0.086 78 HD3 PRO 14 2HD PRO 14 -16.634 15.448 1.051 79 H GLU 15 H GLU 15 -17.048 10.427 -0.633 80 HA GLU 15 HA GLU 15 -14.307 9.625 -1.353 81 HB2 GLU 15 1HB GLU 15 -15.718 8.007 -0.016 82 HB3 GLU 15 2HB GLU 15 -16.770 7.883 -1.419 83 HG2 GLU 15 1HG GLU 15 -14.873 7.074 -2.751 84 HG3 GLU 15 2HG GLU 15 -13.852 7.153 -1.316 85 H GLU 16 H GLU 16 -17.568 10.148 -2.582 86 HA GLU 16 HA GLU 16 -16.872 9.498 -5.293 87 HB2 GLU 16 1HB GLU 16 -19.128 9.113 -4.772 88 HB3 GLU 16 2HB GLU 16 -19.301 10.666 -3.966 89 HG2 GLU 16 1HG GLU 16 -19.622 11.803 -5.909 90 HG3 GLU 16 2HG GLU 16 -18.653 10.677 -6.858 91 H GLU 17 H GLU 17 -17.859 12.537 -3.700 92 HA GLU 17 HA GLU 17 -17.170 14.185 -5.888 93 HB2 GLU 17 1HB GLU 17 -18.703 15.090 -4.344 94 HB3 GLU 17 2HB GLU 17 -17.668 14.723 -2.971 95 HG2 GLU 17 1HG GLU 17 -16.201 16.488 -3.468 96 HG3 GLU 17 2HG GLU 17 -16.872 16.696 -5.085 97 H PHE 18 H PHE 18 -15.397 13.116 -3.042 98 HA PHE 18 HA PHE 18 -13.235 14.790 -3.020 99 HB2 PHE 18 1HB PHE 18 -13.313 13.167 -1.321 100 HB3 PHE 18 2HB PHE 18 -13.463 11.842 -2.470 101 HD1 PHE 18 2HD PHE 18 -11.103 14.435 -1.255 102 HD2 PHE 18 1HD PHE 18 -11.584 10.663 -3.168 103 HE1 PHE 18 2HE PHE 18 -8.672 14.075 -1.149 104 HE2 PHE 18 1HE PHE 18 -9.153 10.297 -3.065 105 HZ PHE 18 HZ PHE 18 -7.694 12.005 -2.056 106 H LEU 19 H LEU 19 -13.348 11.706 -4.813 107 HA LEU 19 HA LEU 19 -10.976 11.865 -6.163 108 HB2 LEU 19 1HB LEU 19 -13.567 10.900 -7.361 109 HB3 LEU 19 2HB LEU 19 -11.940 10.436 -7.854 110 HG LEU 19 HG LEU 19 -13.029 9.832 -5.116 111 HD11 LEU 19 1HD1 LEU 19 -14.475 8.456 -6.123 112 HD12 LEU 19 2HD1 LEU 19 -13.061 7.459 -6.464 113 HD13 LEU 19 3HD1 LEU 19 -13.660 8.584 -7.683 114 HD21 LEU 19 1HD2 LEU 19 -11.287 7.960 -5.431 115 HD22 LEU 19 2HD2 LEU 19 -10.717 9.592 -5.081 116 HD23 LEU 19 3HD2 LEU 19 -10.658 8.971 -6.732 117 H ARG 20 H ARG 20 -14.041 13.400 -7.035 118 HA ARG 20 HA ARG 20 -13.268 14.420 -9.528 119 HB2 ARG 20 1HB ARG 20 -15.240 15.555 -7.537 120 HB3 ARG 20 2HB ARG 20 -15.117 16.031 -9.226 121 HG2 ARG 20 1HG ARG 20 -15.451 13.429 -9.596 122 HG3 ARG 20 2HG ARG 20 -16.236 13.566 -8.022 123 HD2 ARG 20 1HD ARG 20 -16.909 15.460 -10.243 124 HD3 ARG 20 2HD ARG 20 -17.653 13.864 -10.164 125 HE ARG 20 HE ARG 20 -17.995 14.970 -7.668 126 HH11 ARG 20 2HH1 ARG 20 -18.885 15.781 -10.935 127 HH12 ARG 20 1HH1 ARG 20 -20.333 16.612 -10.473 128 HH21 ARG 20 2HH2 ARG 20 -19.899 16.062 -7.047 129 HH22 ARG 20 1HH2 ARG 20 -20.908 16.773 -8.261 130 H ARG 21 H ARG 21 -12.792 15.626 -6.266 131 HA ARG 21 HA ARG 21 -11.732 18.158 -7.171 132 HB2 ARG 21 1HB ARG 21 -12.111 16.863 -4.489 133 HB3 ARG 21 2HB ARG 21 -11.112 18.301 -4.651 134 HG2 ARG 21 1HG ARG 21 -13.834 18.360 -5.831 135 HG3 ARG 21 2HG ARG 21 -13.682 18.441 -4.074 136 HD2 ARG 21 1HD ARG 21 -13.600 20.670 -4.617 137 HD3 ARG 21 2HD ARG 21 -11.884 20.265 -4.619 138 HE ARG 21 HE ARG 21 -12.756 19.858 -7.199 139 HH11 ARG 21 2HH1 ARG 21 -12.624 22.522 -4.962 140 HH12 ARG 21 1HH1 ARG 21 -12.463 23.724 -6.200 141 HH21 ARG 21 2HH2 ARG 21 -12.543 21.430 -8.838 142 HH22 ARG 21 1HH2 ARG 21 -12.418 23.101 -8.405 143 H ASN 22 H ASN 22 -10.360 15.520 -5.193 144 HA ASN 22 HA ASN 22 -7.705 16.241 -6.232 145 HB2 ASN 22 1HB ASN 22 -8.275 14.508 -3.827 146 HB3 ASN 22 2HB ASN 22 -6.759 15.293 -4.260 147 HD21 ASN 22 1HD2 ASN 22 -10.085 15.918 -3.282 148 HD22 ASN 22 2HD2 ASN 22 -9.759 17.416 -2.485 149 H LYS 23 H LYS 23 -7.598 15.086 -8.115 150 HA LYS 23 HA LYS 23 -8.286 12.266 -8.144 151 HB2 LYS 23 1HB LYS 23 -7.289 14.171 -10.259 152 HB3 LYS 23 2HB LYS 23 -7.495 12.450 -10.556 153 HG2 LYS 23 1HG LYS 23 -9.885 12.685 -9.923 154 HG3 LYS 23 2HG LYS 23 -9.635 14.429 -9.808 155 HD2 LYS 23 1HD LYS 23 -9.118 14.585 -12.130 156 HD3 LYS 23 2HD LYS 23 -9.046 12.828 -12.292 157 HE2 LYS 23 1HE LYS 23 -11.553 14.221 -11.409 158 HE3 LYS 23 2HE LYS 23 -11.155 14.041 -13.117 159 HZ1 LYS 23 1HZ LYS 23 -12.452 12.211 -11.567 160 HZ2 LYS 23 2HZ LYS 23 -10.884 11.588 -11.674 161 HZ3 LYS 23 3HZ LYS 23 -11.761 11.917 -13.083 162 H GLY 24 H GLY 24 -5.415 14.304 -8.228 163 HA2 GLY 24 1HA GLY 24 -3.394 13.461 -7.180 164 HA3 GLY 24 2HA GLY 24 -3.795 11.872 -7.815 165 HA PRO 25 HA PRO 25 -2.390 10.665 -8.338 166 HB2 PRO 25 1HB PRO 25 0.283 10.220 -8.499 167 HB3 PRO 25 2HB PRO 25 -0.846 9.761 -9.779 168 HG2 PRO 25 1HG PRO 25 0.930 12.163 -9.592 169 HG3 PRO 25 2HG PRO 25 0.606 11.118 -10.987 170 HD2 PRO 25 1HD PRO 25 -0.592 13.524 -10.660 171 HD3 PRO 25 2HD PRO 25 -1.396 12.158 -11.461 172 H VAL 26 H VAL 26 -1.145 10.019 -6.369 173 HA VAL 26 HA VAL 26 -0.256 12.389 -4.856 174 HB VAL 26 HB VAL 26 -1.121 11.261 -2.814 175 HG11 VAL 26 1HG1 VAL 26 -3.441 11.506 -4.666 176 HG12 VAL 26 2HG1 VAL 26 -3.224 12.149 -3.038 177 HG13 VAL 26 3HG1 VAL 26 -2.409 12.911 -4.404 178 HG21 VAL 26 1HG2 VAL 26 -1.092 8.965 -3.796 179 HG22 VAL 26 2HG2 VAL 26 -2.592 9.379 -2.967 180 HG23 VAL 26 3HG2 VAL 26 -2.523 9.403 -4.729 181 H SER 27 H SER 27 1.656 12.265 -3.837 182 HA SER 27 HA SER 27 3.082 9.694 -3.954 183 HB2 SER 27 1HB SER 27 4.259 11.342 -5.218 184 HB3 SER 27 2HB SER 27 4.084 12.544 -3.940 185 HG SER 27 HG SER 27 6.168 11.259 -4.208 186 H ILE 28 H ILE 28 3.197 8.643 -2.095 187 HA ILE 28 HA ILE 28 3.155 10.177 0.413 188 HB ILE 28 HB ILE 28 2.331 8.237 1.525 189 HG12 ILE 28 1HG1 ILE 28 1.839 6.188 -0.097 190 HG13 ILE 28 2HG1 ILE 28 3.218 6.853 -0.965 191 HG21 ILE 28 1HG2 ILE 28 0.436 9.153 0.697 192 HG22 ILE 28 2HG2 ILE 28 1.007 9.097 -0.970 193 HG23 ILE 28 3HG2 ILE 28 0.375 7.639 -0.205 194 HD11 ILE 28 1HD1 ILE 28 3.314 5.085 1.132 195 HD12 ILE 28 2HD1 ILE 28 4.657 6.055 0.526 196 HD13 ILE 28 3HD1 ILE 28 3.696 6.632 1.888 197 H LYS 29 H LYS 29 4.669 9.809 2.017 198 HA LYS 29 HA LYS 29 7.090 8.393 1.131 199 HB2 LYS 29 1HB LYS 29 7.022 10.934 1.785 200 HB3 LYS 29 2HB LYS 29 7.058 10.312 3.430 201 HG2 LYS 29 1HG LYS 29 9.105 8.960 2.633 202 HG3 LYS 29 2HG LYS 29 9.136 10.106 1.290 203 HD2 LYS 29 1HD LYS 29 8.956 11.122 4.094 204 HD3 LYS 29 2HD LYS 29 10.513 10.582 3.462 205 HE2 LYS 29 1HE LYS 29 10.203 12.131 1.543 206 HE3 LYS 29 2HE LYS 29 8.735 12.730 2.313 207 HZ1 LYS 29 1HZ LYS 29 10.416 13.051 4.306 208 HZ2 LYS 29 2HZ LYS 29 10.207 14.232 3.113 209 HZ3 LYS 29 3HZ LYS 29 11.527 13.176 3.036 210 H VAL 30 H VAL 30 7.565 6.532 2.082 211 HA VAL 30 HA VAL 30 6.227 5.832 4.590 212 HB VAL 30 HB VAL 30 7.740 4.102 2.630 213 HG11 VAL 30 1HG1 VAL 30 6.431 2.320 4.088 214 HG12 VAL 30 2HG1 VAL 30 8.036 2.894 4.543 215 HG13 VAL 30 3HG1 VAL 30 6.604 3.568 5.322 216 HG21 VAL 30 1HG2 VAL 30 5.377 3.112 2.389 217 HG22 VAL 30 2HG2 VAL 30 4.827 4.621 3.118 218 HG23 VAL 30 3HG2 VAL 30 5.721 4.651 1.598 219 H GLN 31 H GLN 31 7.337 6.417 6.345 220 HA GLN 31 HA GLN 31 10.195 6.631 6.371 221 HB2 GLN 31 1HB GLN 31 8.403 7.952 7.746 222 HB3 GLN 31 2HB GLN 31 8.529 6.598 8.861 223 HG2 GLN 31 1HG GLN 31 9.969 8.427 9.539 224 HG3 GLN 31 2HG GLN 31 10.915 7.004 9.105 225 HE21 GLN 31 1HE2 GLN 31 12.730 7.614 8.185 226 HE22 GLN 31 2HE2 GLN 31 12.906 8.858 7.000 227 H VAL 32 H VAL 32 11.420 4.864 6.357 228 HA VAL 32 HA VAL 32 10.517 2.446 7.724 229 HB VAL 32 HB VAL 32 13.019 2.788 6.073 230 HG11 VAL 32 1HG1 VAL 32 13.429 0.722 6.786 231 HG12 VAL 32 2HG1 VAL 32 11.854 0.617 7.574 232 HG13 VAL 32 3HG1 VAL 32 12.018 0.194 5.869 233 HG21 VAL 32 1HG2 VAL 32 11.578 3.177 4.382 234 HG22 VAL 32 2HG2 VAL 32 11.337 1.431 4.453 235 HG23 VAL 32 3HG2 VAL 32 10.201 2.512 5.261 236 HA PRO 33 HA PRO 33 13.060 3.741 11.193 237 HB2 PRO 33 1HB PRO 33 12.221 1.757 12.846 238 HB3 PRO 33 2HB PRO 33 11.271 3.215 12.534 239 HG2 PRO 33 1HG PRO 33 11.004 0.486 11.332 240 HG3 PRO 33 2HG PRO 33 9.735 1.587 11.902 241 HD2 PRO 33 1HD PRO 33 10.362 1.319 9.282 242 HD3 PRO 33 2HD PRO 33 9.790 2.850 9.975 243 H ASN 34 H ASN 34 14.617 2.550 12.637 244 HA ASN 34 HA ASN 34 16.054 0.543 11.046 245 HB2 ASN 34 1HB ASN 34 18.034 1.358 11.887 246 HB3 ASN 34 2HB ASN 34 17.059 2.823 11.947 247 HD21 ASN 34 1HD2 ASN 34 16.368 3.612 13.921 248 HD22 ASN 34 2HD2 ASN 34 17.029 3.063 15.419 249 H MET 35 H MET 35 15.823 -1.499 11.648 250 HA MET 35 HA MET 35 15.212 -2.087 14.463 251 HB2 MET 35 1HB MET 35 14.518 -3.428 11.885 252 HB3 MET 35 2HB MET 35 14.640 -4.407 13.341 253 HG2 MET 35 1HG MET 35 12.343 -3.637 12.820 254 HG3 MET 35 2HG MET 35 12.920 -3.158 14.414 255 HE1 MET 35 1HE MET 35 12.030 0.379 14.535 256 HE2 MET 35 2HE MET 35 11.101 -1.107 14.735 257 HE3 MET 35 3HE MET 35 12.761 -1.018 15.326 258 H GLN 36 H GLN 36 17.051 -2.482 15.533 259 HA GLN 36 HA GLN 36 19.207 -3.952 14.224 260 HB2 GLN 36 1HB GLN 36 19.836 -1.935 15.423 261 HB3 GLN 36 2HB GLN 36 19.086 -2.541 16.894 262 HG2 GLN 36 1HG GLN 36 20.766 -4.063 17.288 263 HG3 GLN 36 2HG GLN 36 21.262 -4.112 15.597 264 HE21 GLN 36 1HE2 GLN 36 23.331 -3.911 17.001 265 HE22 GLN 36 2HE2 GLN 36 23.936 -2.303 17.179 266 H ASP 37 H ASP 37 16.496 -4.744 15.846 267 HA ASP 37 HA ASP 37 17.514 -6.705 17.674 268 HB2 ASP 37 1HB ASP 37 15.263 -5.497 17.816 269 HB3 ASP 37 2HB ASP 37 14.711 -6.612 16.569 270 H LYS 38 H LYS 38 18.733 -7.148 15.268 271 HA LYS 38 HA LYS 38 18.972 -8.613 13.497 272 HB2 LYS 38 1HB LYS 38 18.597 -10.150 16.021 273 HB3 LYS 38 2HB LYS 38 18.669 -11.055 14.515 274 HG2 LYS 38 1HG LYS 38 20.776 -9.026 15.024 275 HG3 LYS 38 2HG LYS 38 20.829 -10.536 15.937 276 HD2 LYS 38 1HD LYS 38 20.488 -10.558 12.959 277 HD3 LYS 38 2HD LYS 38 22.090 -10.388 13.682 278 HE2 LYS 38 1HE LYS 38 21.370 -12.469 15.078 279 HE3 LYS 38 2HE LYS 38 20.191 -12.695 13.787 280 HZ1 LYS 38 1HZ LYS 38 22.966 -13.273 13.792 281 HZ2 LYS 38 2HZ LYS 38 22.597 -12.204 12.535 282 HZ3 LYS 38 3HZ LYS 38 21.792 -13.687 12.646 283 H THR 39 H THR 39 16.633 -7.564 12.973 284 HA THR 39 HA THR 39 14.573 -9.614 12.853 285 HB THR 39 HB THR 39 13.744 -7.444 13.385 286 HG1 THR 39 1HG THR 39 12.581 -7.020 11.207 287 HG21 THR 39 1HG2 THR 39 15.530 -6.043 12.605 288 HG22 THR 39 2HG2 THR 39 14.044 -5.525 11.808 289 HG23 THR 39 3HG2 THR 39 15.222 -6.500 10.930 290 H GLU 40 H GLU 40 13.662 -10.398 10.929 291 HA GLU 40 HA GLU 40 15.548 -10.596 8.740 292 HB2 GLU 40 1HB GLU 40 13.963 -12.244 7.822 293 HB3 GLU 40 2HB GLU 40 14.414 -12.613 9.481 294 HG2 GLU 40 1HG GLU 40 11.938 -11.043 8.947 295 HG3 GLU 40 2HG GLU 40 11.934 -12.790 8.715 296 H TRP 41 H TRP 41 14.133 -8.048 9.297 297 HA TRP 41 HA TRP 41 12.739 -7.745 6.718 298 HB2 TRP 41 1HB TRP 41 12.380 -6.089 9.226 299 HB3 TRP 41 2HB TRP 41 11.501 -5.885 7.714 300 HD1 TRP 41 HD TRP 41 11.028 -9.125 7.329 301 HE1 TRP 41 1HE TRP 41 9.177 -10.219 8.743 302 HE3 TRP 41 3HE TRP 41 10.631 -5.602 11.013 303 HZ2 TRP 41 2HZ TRP 41 7.738 -9.663 11.106 304 HZ3 TRP 41 3HZ TRP 41 8.992 -5.959 12.813 305 HH2 TRP 41 HH TRP 41 7.576 -7.947 12.857 306 H LYS 42 H LYS 42 13.280 -6.041 5.391 307 HA LYS 42 HA LYS 42 15.929 -4.993 5.702 308 HB2 LYS 42 1HB LYS 42 13.787 -4.475 3.634 309 HB3 LYS 42 2HB LYS 42 15.414 -3.812 3.552 310 HG2 LYS 42 1HG LYS 42 16.256 -6.188 3.616 311 HG3 LYS 42 2HG LYS 42 14.581 -6.693 3.379 312 HD2 LYS 42 1HD LYS 42 14.569 -5.183 1.338 313 HD3 LYS 42 2HD LYS 42 16.321 -5.079 1.528 314 HE2 LYS 42 1HE LYS 42 16.548 -7.451 1.246 315 HE3 LYS 42 2HE LYS 42 14.799 -7.668 1.265 316 HZ1 LYS 42 1HZ LYS 42 14.725 -7.296 -0.902 317 HZ2 LYS 42 2HZ LYS 42 16.415 -7.238 -0.940 318 HZ3 LYS 42 3HZ LYS 42 15.525 -5.813 -0.740 319 H LEU 43 H LEU 43 15.396 -3.904 7.786 320 HA LEU 43 HA LEU 43 14.314 -1.209 7.283 321 HB2 LEU 43 1HB LEU 43 14.247 -2.676 9.911 322 HB3 LEU 43 2HB LEU 43 13.494 -1.128 9.533 323 HG LEU 43 HG LEU 43 12.672 -3.666 8.151 324 HD11 LEU 43 1HD1 LEU 43 10.706 -3.342 9.921 325 HD12 LEU 43 2HD1 LEU 43 12.050 -2.743 10.892 326 HD13 LEU 43 3HD1 LEU 43 12.104 -4.375 10.226 327 HD21 LEU 43 1HD2 LEU 43 11.174 -1.109 8.702 328 HD22 LEU 43 2HD2 LEU 43 10.654 -2.454 7.686 329 HD23 LEU 43 3HD2 LEU 43 12.029 -1.460 7.200 330 H ASN 44 H ASN 44 16.191 -0.116 6.939 331 HA ASN 44 HA ASN 44 18.033 0.033 9.222 332 HB2 ASN 44 1HB ASN 44 18.869 -0.123 6.317 333 HB3 ASN 44 2HB ASN 44 19.952 0.154 7.677 334 HD21 ASN 44 1HD2 ASN 44 20.689 -1.539 8.821 335 HD22 ASN 44 2HD2 ASN 44 20.264 -3.185 8.514 336 H GLY 45 H GLY 45 16.521 1.921 9.522 337 HA2 GLY 45 1HA GLY 45 15.933 4.147 9.201 338 HA3 GLY 45 2HA GLY 45 17.680 4.324 9.283 339 H GLN 46 H GLN 46 14.928 3.999 7.123 340 HA GLN 46 HA GLN 46 16.320 5.583 5.135 341 HB2 GLN 46 1HB GLN 46 16.086 4.042 3.328 342 HB3 GLN 46 2HB GLN 46 16.887 3.184 4.638 343 HG2 GLN 46 1HG GLN 46 14.949 1.963 5.166 344 HG3 GLN 46 2HG GLN 46 13.926 3.020 4.194 345 HE21 GLN 46 1HE2 GLN 46 14.362 0.097 4.126 346 HE22 GLN 46 2HE2 GLN 46 14.818 -0.259 2.499 347 H GLY 47 H GLY 47 14.719 5.703 3.094 348 HA2 GLY 47 1HA GLY 47 11.950 5.881 4.059 349 HA3 GLY 47 2HA GLY 47 12.715 7.327 3.417 350 H LEU 48 H LEU 48 10.477 5.298 2.592 351 HA LEU 48 HA LEU 48 11.400 4.905 -0.174 352 HB2 LEU 48 1HB LEU 48 9.084 3.584 1.230 353 HB3 LEU 48 2HB LEU 48 9.688 3.209 -0.383 354 HG LEU 48 HG LEU 48 11.188 2.752 2.196 355 HD11 LEU 48 1HD1 LEU 48 9.402 1.050 0.544 356 HD12 LEU 48 2HD1 LEU 48 9.637 1.085 2.291 357 HD13 LEU 48 3HD1 LEU 48 10.836 0.309 1.255 358 HD21 LEU 48 1HD2 LEU 48 12.091 1.323 -0.152 359 HD22 LEU 48 2HD2 LEU 48 13.003 2.315 0.986 360 HD23 LEU 48 3HD2 LEU 48 12.176 3.071 -0.377 361 H VAL 49 H VAL 49 10.087 5.528 -1.903 362 HA VAL 49 HA VAL 49 7.755 7.194 -1.249 363 HB VAL 49 HB VAL 49 9.948 7.978 -3.174 364 HG11 VAL 49 1HG1 VAL 49 7.284 8.582 -3.370 365 HG12 VAL 49 2HG1 VAL 49 7.924 9.964 -2.479 366 HG13 VAL 49 3HG1 VAL 49 8.602 9.535 -4.050 367 HG21 VAL 49 1HG2 VAL 49 10.317 9.856 -1.638 368 HG22 VAL 49 2HG2 VAL 49 9.108 9.189 -0.541 369 HG23 VAL 49 3HG2 VAL 49 10.600 8.302 -0.852 370 H PHE 50 H PHE 50 6.056 6.986 -2.605 371 HA PHE 50 HA PHE 50 6.420 5.731 -5.210 372 HB2 PHE 50 1HB PHE 50 4.363 4.620 -3.307 373 HB3 PHE 50 2HB PHE 50 4.902 3.947 -4.842 374 HD1 PHE 50 1HD PHE 50 7.240 3.032 -5.006 375 HD2 PHE 50 2HD PHE 50 5.416 4.049 -1.297 376 HE1 PHE 50 1HE PHE 50 8.886 1.641 -3.819 377 HE2 PHE 50 2HE PHE 50 7.060 2.661 -0.104 378 HZ PHE 50 HZ PHE 50 8.798 1.455 -1.364 379 H THR 51 H THR 51 5.049 6.502 -6.712 380 HA THR 51 HA THR 51 2.968 8.367 -5.791 381 HB THR 51 HB THR 51 4.189 8.233 -8.552 382 HG1 THR 51 1HG THR 51 5.374 10.111 -7.794 383 HG21 THR 51 1HG2 THR 51 2.446 10.247 -7.137 384 HG22 THR 51 2HG2 THR 51 2.072 9.331 -8.597 385 HG23 THR 51 3HG2 THR 51 3.306 10.590 -8.637 386 H LEU 52 H LEU 52 1.092 7.280 -5.654 387 HA LEU 52 HA LEU 52 0.159 5.896 -8.071 388 HB2 LEU 52 1HB LEU 52 -0.411 4.910 -5.287 389 HB3 LEU 52 2HB LEU 52 -0.786 4.113 -6.813 390 HG LEU 52 HG LEU 52 2.000 4.560 -5.744 391 HD11 LEU 52 1HD1 LEU 52 1.489 2.886 -4.355 392 HD12 LEU 52 2HD1 LEU 52 1.557 1.863 -5.789 393 HD13 LEU 52 3HD1 LEU 52 0.008 2.488 -5.226 394 HD21 LEU 52 1HD2 LEU 52 2.808 3.559 -7.608 395 HD22 LEU 52 2HD2 LEU 52 1.346 4.248 -8.315 396 HD23 LEU 52 3HD2 LEU 52 1.376 2.553 -7.826 397 HA PRO 53 HA PRO 53 -3.392 8.456 -7.595 398 HB2 PRO 53 1HB PRO 53 -5.149 7.019 -9.084 399 HB3 PRO 53 2HB PRO 53 -3.845 7.975 -9.796 400 HG2 PRO 53 1HG PRO 53 -3.963 5.032 -9.265 401 HG3 PRO 53 2HG PRO 53 -3.353 5.887 -10.693 402 HD2 PRO 53 1HD PRO 53 -1.715 4.907 -8.773 403 HD3 PRO 53 2HD PRO 53 -1.334 6.375 -9.694 404 H LEU 54 H LEU 54 -5.343 8.575 -6.477 405 HA LEU 54 HA LEU 54 -5.752 6.490 -4.512 406 HB2 LEU 54 1HB LEU 54 -7.365 9.003 -4.844 407 HB3 LEU 54 2HB LEU 54 -7.177 8.017 -3.395 408 HG LEU 54 HG LEU 54 -4.758 9.328 -4.535 409 HD11 LEU 54 1HD1 LEU 54 -5.809 11.316 -4.523 410 HD12 LEU 54 2HD1 LEU 54 -5.576 11.205 -2.779 411 HD13 LEU 54 3HD1 LEU 54 -7.120 10.740 -3.493 412 HD21 LEU 54 1HD2 LEU 54 -4.348 7.946 -2.680 413 HD22 LEU 54 2HD2 LEU 54 -5.763 8.544 -1.813 414 HD23 LEU 54 3HD2 LEU 54 -4.357 9.588 -2.036 415 H THR 55 H THR 55 -6.548 4.799 -5.828 416 HA THR 55 HA THR 55 -9.354 5.174 -6.644 417 HB THR 55 HB THR 55 -8.899 3.377 -8.391 418 HG1 THR 55 1HG THR 55 -6.814 2.933 -8.894 419 HG21 THR 55 1HG2 THR 55 -7.392 5.289 -9.679 420 HG22 THR 55 2HG2 THR 55 -8.228 6.216 -8.433 421 HG23 THR 55 3HG2 THR 55 -9.152 5.255 -9.588 422 H ASP 56 H ASP 56 -6.881 2.809 -5.693 423 HA ASP 56 HA ASP 56 -8.975 0.967 -4.812 424 HB2 ASP 56 1HB ASP 56 -6.045 0.706 -5.368 425 HB3 ASP 56 2HB ASP 56 -6.825 -0.458 -4.300 426 H GLN 57 H GLN 57 -7.961 -0.345 -2.741 427 HA GLN 57 HA GLN 57 -8.134 1.594 -0.609 428 HB2 GLN 57 1HB GLN 57 -7.879 -1.417 -0.559 429 HB3 GLN 57 2HB GLN 57 -8.111 -0.412 0.866 430 HG2 GLN 57 1HG GLN 57 -10.261 -1.013 0.487 431 HG3 GLN 57 2HG GLN 57 -10.195 0.439 -0.510 432 HE21 GLN 57 1HE2 GLN 57 -9.708 -3.062 -0.666 433 HE22 GLN 57 2HE2 GLN 57 -10.307 -3.250 -2.275 434 H VAL 58 H VAL 58 -6.632 0.736 1.404 435 HA VAL 58 HA VAL 58 -4.020 1.635 0.711 436 HB VAL 58 HB VAL 58 -4.929 0.355 3.292 437 HG11 VAL 58 1HG1 VAL 58 -2.604 0.348 3.357 438 HG12 VAL 58 2HG1 VAL 58 -2.478 1.878 2.486 439 HG13 VAL 58 3HG1 VAL 58 -3.027 1.859 4.162 440 HG21 VAL 58 1HG2 VAL 58 -5.391 2.551 4.111 441 HG22 VAL 58 2HG2 VAL 58 -4.764 3.293 2.638 442 HG23 VAL 58 3HG2 VAL 58 -6.257 2.355 2.587 443 H SER 59 H SER 59 -5.508 -1.392 0.584 444 HA SER 59 HA SER 59 -3.409 -3.119 1.288 445 HB2 SER 59 1HB SER 59 -4.676 -4.606 -0.537 446 HB3 SER 59 2HB SER 59 -5.361 -4.301 1.059 447 HG SER 59 HG SER 59 -5.895 -2.499 -1.020 448 H VAL 60 H VAL 60 -3.747 -1.006 -1.348 449 HA VAL 60 HA VAL 60 -1.966 -2.495 -3.099 450 HB VAL 60 HB VAL 60 -2.219 -0.557 -4.631 451 HG11 VAL 60 1HG1 VAL 60 -4.769 -1.783 -3.588 452 HG12 VAL 60 2HG1 VAL 60 -4.617 -0.930 -5.125 453 HG13 VAL 60 3HG1 VAL 60 -3.724 -2.427 -4.854 454 HG21 VAL 60 1HG2 VAL 60 -2.837 1.410 -3.804 455 HG22 VAL 60 2HG2 VAL 60 -4.446 0.747 -3.519 456 HG23 VAL 60 3HG2 VAL 60 -3.226 0.679 -2.247 457 H ILE 61 H ILE 61 -1.740 -0.195 -0.609 458 HA ILE 61 HA ILE 61 0.780 0.923 -1.544 459 HB ILE 61 HB ILE 61 -0.933 1.453 0.872 460 HG12 ILE 61 1HG1 ILE 61 -0.522 3.841 -0.250 461 HG13 ILE 61 2HG1 ILE 61 -0.261 2.842 -1.675 462 HG21 ILE 61 1HG2 ILE 61 1.074 1.742 1.917 463 HG22 ILE 61 2HG2 ILE 61 1.927 2.109 0.419 464 HG23 ILE 61 3HG2 ILE 61 0.904 3.332 1.172 465 HD11 ILE 61 1HD1 ILE 61 -2.467 3.024 -1.942 466 HD12 ILE 61 2HD1 ILE 61 -2.567 1.797 -0.678 467 HD13 ILE 61 3HD1 ILE 61 -2.728 3.503 -0.265 468 H LYS 62 H LYS 62 -0.394 -1.524 0.606 469 HA LYS 62 HA LYS 62 2.011 -1.768 2.148 470 HB2 LYS 62 1HB LYS 62 -0.271 -3.721 1.797 471 HB3 LYS 62 2HB LYS 62 0.984 -3.818 3.026 472 HG2 LYS 62 1HG LYS 62 0.182 -1.543 3.813 473 HG3 LYS 62 2HG LYS 62 -1.222 -1.799 2.775 474 HD2 LYS 62 1HD LYS 62 -2.046 -3.499 4.079 475 HD3 LYS 62 2HD LYS 62 -0.451 -3.952 4.685 476 HE2 LYS 62 1HE LYS 62 -0.432 -1.805 5.974 477 HE3 LYS 62 2HE LYS 62 -2.109 -1.566 5.488 478 HZ1 LYS 62 1HZ LYS 62 -1.273 -2.904 7.698 479 HZ2 LYS 62 2HZ LYS 62 -1.630 -4.157 6.620 480 HZ3 LYS 62 3HZ LYS 62 -2.814 -3.012 7.008 481 H VAL 63 H VAL 63 0.644 -3.379 -0.676 482 HA VAL 63 HA VAL 63 2.366 -5.533 -0.913 483 HB VAL 63 HB VAL 63 0.342 -4.949 -2.365 484 HG11 VAL 63 1HG1 VAL 63 0.834 -3.798 -4.470 485 HG12 VAL 63 2HG1 VAL 63 1.085 -2.740 -3.080 486 HG13 VAL 63 3HG1 VAL 63 2.469 -3.461 -3.902 487 HG21 VAL 63 1HG2 VAL 63 1.648 -6.939 -2.747 488 HG22 VAL 63 2HG2 VAL 63 1.254 -6.201 -4.299 489 HG23 VAL 63 3HG2 VAL 63 2.870 -6.014 -3.619 490 H LYS 64 H LYS 64 2.813 -2.195 -2.000 491 HA LYS 64 HA LYS 64 5.180 -2.506 -3.428 492 HB2 LYS 64 1HB LYS 64 4.349 -0.146 -1.729 493 HB3 LYS 64 2HB LYS 64 5.566 -0.120 -2.998 494 HG2 LYS 64 1HG LYS 64 2.750 -0.945 -3.586 495 HG3 LYS 64 2HG LYS 64 3.212 0.758 -3.526 496 HD2 LYS 64 1HD LYS 64 4.723 -1.223 -5.202 497 HD3 LYS 64 2HD LYS 64 3.269 -0.423 -5.803 498 HE2 LYS 64 1HE LYS 64 4.262 1.678 -5.768 499 HE3 LYS 64 2HE LYS 64 5.507 1.178 -4.624 500 HZ1 LYS 64 1HZ LYS 64 6.673 1.244 -6.577 501 HZ2 LYS 64 2HZ LYS 64 5.367 0.738 -7.524 502 HZ3 LYS 64 3HZ LYS 64 6.200 -0.381 -6.566 503 H ILE 65 H ILE 65 4.721 -1.826 0.029 504 HA ILE 65 HA ILE 65 7.358 -1.541 0.799 505 HB ILE 65 HB ILE 65 5.163 -2.896 2.370 506 HG12 ILE 65 1HG1 ILE 65 6.048 -0.008 2.469 507 HG13 ILE 65 2HG1 ILE 65 4.682 -0.570 1.511 508 HG21 ILE 65 1HG2 ILE 65 6.612 -1.840 4.278 509 HG22 ILE 65 2HG2 ILE 65 7.043 -3.403 3.587 510 HG23 ILE 65 3HG2 ILE 65 7.899 -1.948 3.077 511 HD11 ILE 65 1HD1 ILE 65 4.969 -0.389 4.471 512 HD12 ILE 65 2HD1 ILE 65 3.665 0.180 3.429 513 HD13 ILE 65 3HD1 ILE 65 3.841 -1.543 3.762 514 H HIS 66 H HIS 66 5.473 -4.562 1.064 515 HA HIS 66 HA HIS 66 7.524 -6.263 1.757 516 HB2 HIS 66 1HB HIS 66 5.189 -6.964 1.759 517 HB3 HIS 66 2HB HIS 66 5.132 -6.858 0.001 518 HD1 HIS 66 1HD HIS 66 5.537 -8.987 -1.191 519 HD2 HIS 66 2HD HIS 66 7.158 -9.024 2.634 520 HE1 HIS 66 1HE HIS 66 6.440 -11.311 -0.866 521 HE2 HIS 66 2HE HIS 66 7.340 -11.335 1.486 522 H GLU 67 H GLU 67 6.590 -5.147 -1.456 523 HA GLU 67 HA GLU 67 8.210 -6.848 -2.976 524 HB2 GLU 67 1HB GLU 67 6.922 -4.204 -3.413 525 HB3 GLU 67 2HB GLU 67 8.192 -4.676 -4.533 526 HG2 GLU 67 1HG GLU 67 5.863 -6.460 -3.909 527 HG3 GLU 67 2HG GLU 67 5.808 -5.240 -5.180 528 H ALA 68 H ALA 68 8.894 -3.672 -1.559 529 HA ALA 68 HA ALA 68 11.607 -3.663 -2.544 530 HB1 ALA 68 1HB ALA 68 9.814 -1.724 -1.613 531 HB2 ALA 68 2HB ALA 68 11.149 -1.740 -0.460 532 HB3 ALA 68 3HB ALA 68 11.468 -1.478 -2.175 533 H THR 69 H THR 69 10.239 -3.504 0.751 534 HA THR 69 HA THR 69 12.728 -4.575 1.823 535 HB THR 69 HB THR 69 11.783 -4.092 4.030 536 HG1 THR 69 1HG THR 69 9.576 -4.482 3.548 537 HG21 THR 69 1HG2 THR 69 12.006 -1.785 3.930 538 HG22 THR 69 2HG2 THR 69 11.171 -1.669 2.381 539 HG23 THR 69 3HG2 THR 69 12.817 -2.298 2.451 540 H GLY 70 H GLY 70 12.707 -6.347 3.373 541 HA2 GLY 70 1HA GLY 70 11.068 -8.527 2.415 542 HA3 GLY 70 2HA GLY 70 12.357 -8.632 3.604 543 H MET 71 H MET 71 9.646 -6.408 3.813 544 HA MET 71 HA MET 71 8.815 -7.777 6.274 545 HB2 MET 71 1HB MET 71 9.465 -5.252 6.136 546 HB3 MET 71 2HB MET 71 7.852 -5.055 5.463 547 HG2 MET 71 1HG MET 71 6.814 -5.739 7.434 548 HG3 MET 71 2HG MET 71 8.287 -6.479 8.058 549 HE1 MET 71 1HE MET 71 8.030 -3.788 10.729 550 HE2 MET 71 2HE MET 71 6.572 -4.471 10.008 551 HE3 MET 71 3HE MET 71 7.976 -5.499 10.302 552 HA PRO 72 HA PRO 72 5.165 -9.220 4.248 553 HB2 PRO 72 1HB PRO 72 3.744 -9.868 6.469 554 HB3 PRO 72 2HB PRO 72 5.097 -10.839 5.877 555 HG2 PRO 72 1HG PRO 72 5.043 -8.810 8.077 556 HG3 PRO 72 2HG PRO 72 5.831 -10.399 8.038 557 HD2 PRO 72 1HD PRO 72 7.186 -8.090 7.630 558 HD3 PRO 72 2HD PRO 72 7.636 -9.614 6.838 559 H ALA 73 H ALA 73 3.114 -8.508 3.737 560 HA ALA 73 HA ALA 73 2.496 -5.792 4.424 561 HB1 ALA 73 1HB ALA 73 2.064 -7.192 2.209 562 HB2 ALA 73 2HB ALA 73 0.510 -7.470 2.997 563 HB3 ALA 73 3HB ALA 73 1.050 -5.824 2.669 564 H GLY 74 H GLY 74 2.493 -7.160 6.774 565 HA2 GLY 74 1HA GLY 74 -0.294 -6.872 7.587 566 HA3 GLY 74 2HA GLY 74 0.447 -8.441 7.869 567 H LYS 75 H LYS 75 2.830 -8.047 8.848 568 HA LYS 75 HA LYS 75 2.430 -7.219 11.484 569 HB2 LYS 75 1HB LYS 75 4.933 -7.687 9.874 570 HB3 LYS 75 2HB LYS 75 4.990 -7.234 11.572 571 HG2 LYS 75 1HG LYS 75 3.367 -9.584 10.694 572 HG3 LYS 75 2HG LYS 75 5.112 -9.729 10.915 573 HD2 LYS 75 1HD LYS 75 3.340 -8.569 13.045 574 HD3 LYS 75 2HD LYS 75 3.606 -10.308 12.905 575 HE2 LYS 75 1HE LYS 75 6.116 -9.677 12.898 576 HE3 LYS 75 2HE LYS 75 5.565 -8.140 13.563 577 HZ1 LYS 75 1HZ LYS 75 4.279 -9.795 15.160 578 HZ2 LYS 75 2HZ LYS 75 5.853 -9.269 15.484 579 HZ3 LYS 75 3HZ LYS 75 5.597 -10.787 14.784 580 H GLN 76 H GLN 76 4.071 -5.552 8.807 581 HA GLN 76 HA GLN 76 4.827 -3.264 10.239 582 HB2 GLN 76 1HB GLN 76 5.138 -2.205 8.081 583 HB3 GLN 76 2HB GLN 76 5.715 -3.865 8.012 584 HG2 GLN 76 1HG GLN 76 3.301 -4.339 7.114 585 HG3 GLN 76 2HG GLN 76 3.346 -2.623 6.712 586 HE21 GLN 76 1HE2 GLN 76 3.070 -3.828 4.560 587 HE22 GLN 76 2HE2 GLN 76 4.529 -4.148 3.692 588 H LYS 77 H LYS 77 3.648 -1.713 11.122 589 HA LYS 77 HA LYS 77 0.846 -1.425 10.326 590 HB2 LYS 77 1HB LYS 77 1.491 -1.748 12.741 591 HB3 LYS 77 2HB LYS 77 2.248 -0.162 12.684 592 HG2 LYS 77 1HG LYS 77 0.094 0.853 12.149 593 HG3 LYS 77 2HG LYS 77 -0.668 -0.738 12.197 594 HD2 LYS 77 1HD LYS 77 0.894 0.139 14.570 595 HD3 LYS 77 2HD LYS 77 -0.683 0.882 14.293 596 HE2 LYS 77 1HE LYS 77 -0.384 -2.091 14.180 597 HE3 LYS 77 2HE LYS 77 -0.499 -1.276 15.739 598 HZ1 LYS 77 1HZ LYS 77 -2.687 -1.478 15.422 599 HZ2 LYS 77 2HZ LYS 77 -2.539 -1.753 13.760 600 HZ3 LYS 77 3HZ LYS 77 -2.529 -0.171 14.359 601 H LEU 78 H LEU 78 0.324 0.112 8.930 602 HA LEU 78 HA LEU 78 2.154 2.285 8.373 603 HB2 LEU 78 1HB LEU 78 -0.476 1.451 7.172 604 HB3 LEU 78 2HB LEU 78 0.402 2.892 6.662 605 HG LEU 78 HG LEU 78 1.142 0.008 6.282 606 HD11 LEU 78 1HD1 LEU 78 1.005 2.342 4.380 607 HD12 LEU 78 2HD1 LEU 78 -0.259 1.132 4.596 608 HD13 LEU 78 3HD1 LEU 78 1.316 0.656 3.963 609 HD21 LEU 78 1HD2 LEU 78 3.226 0.684 6.902 610 HD22 LEU 78 2HD2 LEU 78 2.923 2.374 6.498 611 HD23 LEU 78 3HD2 LEU 78 3.252 1.206 5.217 612 H GLN 79 H GLN 79 1.937 4.359 8.984 613 HA GLN 79 HA GLN 79 -0.548 5.137 10.359 614 HB2 GLN 79 1HB GLN 79 1.610 4.707 11.781 615 HB3 GLN 79 2HB GLN 79 2.098 6.282 11.168 616 HG2 GLN 79 1HG GLN 79 0.027 7.249 12.086 617 HG3 GLN 79 2HG GLN 79 -0.381 5.672 12.761 618 HE21 GLN 79 1HE2 GLN 79 1.642 4.717 13.984 619 HE22 GLN 79 2HE2 GLN 79 2.326 5.792 15.150 620 H TYR 80 H TYR 80 -1.520 6.811 9.445 621 HA TYR 80 HA TYR 80 0.073 8.598 7.733 622 HB2 TYR 80 1HB TYR 80 -1.569 7.604 6.378 623 HB3 TYR 80 2HB TYR 80 -2.802 7.722 7.629 624 HD1 TYR 80 1HD TYR 80 -0.506 10.202 6.022 625 HD2 TYR 80 2HD TYR 80 -4.510 9.119 6.968 626 HE1 TYR 80 1HE TYR 80 -1.303 12.306 5.028 627 HE2 TYR 80 2HE TYR 80 -5.319 11.219 5.975 628 HH TYR 80 HH TYR 80 -4.768 13.090 4.922 629 H GLU 81 H GLU 81 0.696 10.244 9.024 630 HA GLU 81 HA GLU 81 0.589 12.077 10.369 631 HB2 GLU 81 1HB GLU 81 -2.068 12.111 8.980 632 HB3 GLU 81 2HB GLU 81 -1.707 13.309 10.215 633 HG2 GLU 81 1HG GLU 81 -1.252 13.877 7.748 634 HG3 GLU 81 2HG GLU 81 -0.044 14.301 8.960 635 H GLY 82 H GLY 82 -0.245 9.416 11.429 636 HA2 GLY 82 1HA GLY 82 -0.499 9.211 13.863 637 HA3 GLY 82 2HA GLY 82 -1.774 10.414 13.751 638 H ILE 83 H ILE 83 -3.001 9.295 11.390 639 HA ILE 83 HA ILE 83 -4.757 7.456 12.633 640 HB ILE 83 HB ILE 83 -4.447 8.023 9.682 641 HG12 ILE 83 1HG1 ILE 83 -6.494 9.247 11.516 642 HG13 ILE 83 2HG1 ILE 83 -4.910 9.984 11.304 643 HG21 ILE 83 1HG2 ILE 83 -5.734 5.951 10.469 644 HG22 ILE 83 2HG2 ILE 83 -6.933 7.092 11.075 645 HG23 ILE 83 3HG2 ILE 83 -6.545 7.052 9.355 646 HD11 ILE 83 1HD1 ILE 83 -7.176 9.770 9.407 647 HD12 ILE 83 2HD1 ILE 83 -6.087 11.120 9.730 648 HD13 ILE 83 3HD1 ILE 83 -5.538 9.758 8.754 649 H PHE 84 H PHE 84 -5.017 5.257 12.372 650 HA PHE 84 HA PHE 84 -2.648 3.841 11.384 651 HB2 PHE 84 1HB PHE 84 -4.872 2.996 13.246 652 HB3 PHE 84 2HB PHE 84 -3.627 1.897 12.661 653 HD1 PHE 84 2HD PHE 84 -1.206 2.451 13.186 654 HD2 PHE 84 1HD PHE 84 -4.499 4.345 15.107 655 HE1 PHE 84 2HE PHE 84 0.271 3.145 15.027 656 HE2 PHE 84 1HE PHE 84 -3.026 5.043 16.951 657 HZ PHE 84 HZ PHE 84 -0.638 4.442 16.913 658 H ILE 85 H ILE 85 -4.125 4.734 9.331 659 HA ILE 85 HA ILE 85 -6.281 3.426 8.347 660 HB ILE 85 HB ILE 85 -5.400 3.743 6.086 661 HG12 ILE 85 1HG1 ILE 85 -2.835 4.804 7.209 662 HG13 ILE 85 2HG1 ILE 85 -3.004 3.073 6.939 663 HG21 ILE 85 1HG2 ILE 85 -6.340 5.659 7.231 664 HG22 ILE 85 2HG2 ILE 85 -4.777 6.017 7.965 665 HG23 ILE 85 3HG2 ILE 85 -4.987 6.167 6.220 666 HD11 ILE 85 1HD1 ILE 85 -3.790 3.843 4.562 667 HD12 ILE 85 2HD1 ILE 85 -2.882 5.297 4.976 668 HD13 ILE 85 3HD1 ILE 85 -2.076 3.728 4.963 669 H LYS 86 H LYS 86 -6.716 1.536 7.217 670 HA LYS 86 HA LYS 86 -4.611 -0.523 7.280 671 HB2 LYS 86 1HB LYS 86 -7.460 -0.679 8.208 672 HB3 LYS 86 2HB LYS 86 -6.634 -2.124 7.642 673 HG2 LYS 86 1HG LYS 86 -6.160 -2.285 9.851 674 HG3 LYS 86 2HG LYS 86 -4.792 -1.287 9.354 675 HD2 LYS 86 1HD LYS 86 -5.521 -0.051 11.126 676 HD3 LYS 86 2HD LYS 86 -6.516 0.665 9.856 677 HE2 LYS 86 1HE LYS 86 -8.330 -0.917 10.460 678 HE3 LYS 86 2HE LYS 86 -7.336 -1.494 11.797 679 HZ1 LYS 86 1HZ LYS 86 -8.862 0.119 12.625 680 HZ2 LYS 86 2HZ LYS 86 -8.427 1.242 11.437 681 HZ3 LYS 86 3HZ LYS 86 -7.321 0.818 12.645 682 H ASP 87 H ASP 87 -5.317 -2.472 5.881 683 HA ASP 87 HA ASP 87 -5.602 -1.562 3.222 684 HB2 ASP 87 1HB ASP 87 -6.067 -4.177 2.923 685 HB3 ASP 87 2HB ASP 87 -4.455 -3.539 3.231 686 H SER 88 H SER 88 -7.878 -2.673 5.605 687 HA SER 88 HA SER 88 -10.018 -3.282 3.852 688 HB2 SER 88 1HB SER 88 -9.927 -4.065 6.196 689 HB3 SER 88 2HB SER 88 -10.132 -2.403 6.749 690 HG SER 88 HG SER 88 -11.983 -4.168 5.704 691 H ASN 89 H ASN 89 -8.875 -0.323 5.329 692 HA ASN 89 HA ASN 89 -11.211 1.188 4.535 693 HB2 ASN 89 1HB ASN 89 -8.580 2.014 5.775 694 HB3 ASN 89 2HB ASN 89 -9.885 3.139 5.406 695 HD21 ASN 89 1HD2 ASN 89 -9.011 0.316 7.302 696 HD22 ASN 89 2HD2 ASN 89 -10.177 0.565 8.552 697 H SER 90 H SER 90 -11.297 2.758 2.935 698 HA SER 90 HA SER 90 -9.421 2.357 0.748 699 HB2 SER 90 1HB SER 90 -11.031 3.704 -0.568 700 HB3 SER 90 2HB SER 90 -11.806 2.330 0.222 701 HG SER 90 HG SER 90 -11.829 5.030 1.102 702 H LEU 91 H LEU 91 -8.442 4.138 -0.380 703 HA LEU 91 HA LEU 91 -7.267 6.037 1.392 704 HB2 LEU 91 1HB LEU 91 -7.142 5.714 -1.598 705 HB3 LEU 91 2HB LEU 91 -6.218 6.922 -0.708 706 HG LEU 91 HG LEU 91 -5.924 4.060 0.064 707 HD11 LEU 91 1HD1 LEU 91 -4.417 3.553 -1.659 708 HD12 LEU 91 2HD1 LEU 91 -4.354 5.225 -2.215 709 HD13 LEU 91 3HD1 LEU 91 -5.811 4.265 -2.472 710 HD21 LEU 91 1HD2 LEU 91 -4.427 5.063 1.368 711 HD22 LEU 91 2HD2 LEU 91 -4.584 6.588 0.497 712 HD23 LEU 91 3HD2 LEU 91 -3.470 5.350 -0.085 713 H ALA 92 H ALA 92 -9.335 6.423 -1.489 714 HA ALA 92 HA ALA 92 -9.713 9.110 -1.531 715 HB1 ALA 92 1HB ALA 92 -12.272 8.168 -2.000 716 HB2 ALA 92 2HB ALA 92 -10.991 8.365 -3.196 717 HB3 ALA 92 3HB ALA 92 -11.233 6.804 -2.412 718 H TYR 93 H TYR 93 -11.420 6.811 0.563 719 HA TYR 93 HA TYR 93 -13.258 8.475 1.751 720 HB2 TYR 93 1HB TYR 93 -13.302 6.138 2.247 721 HB3 TYR 93 2HB TYR 93 -11.678 6.185 2.924 722 HD1 TYR 93 2HD TYR 93 -15.024 7.765 3.467 723 HD2 TYR 93 1HD TYR 93 -11.474 6.209 5.222 724 HE1 TYR 93 2HE TYR 93 -15.974 8.137 5.704 725 HE2 TYR 93 1HE TYR 93 -12.415 6.575 7.464 726 HH TYR 93 HH TYR 93 -14.069 7.682 8.609 727 H TYR 94 H TYR 94 -9.933 7.854 2.869 728 HA TYR 94 HA TYR 94 -10.024 9.729 4.986 729 HB2 TYR 94 1HB TYR 94 -7.689 8.503 3.509 730 HB3 TYR 94 2HB TYR 94 -7.522 9.508 4.945 731 HD1 TYR 94 2HD TYR 94 -9.333 8.664 6.869 732 HD2 TYR 94 1HD TYR 94 -7.429 6.258 3.921 733 HE1 TYR 94 2HE TYR 94 -9.642 6.684 8.294 734 HE2 TYR 94 1HE TYR 94 -7.734 4.270 5.338 735 HH TYR 94 HH TYR 94 -9.813 4.032 7.747 736 H ASN 95 H ASN 95 -9.713 10.098 1.617 737 HA ASN 95 HA ASN 95 -9.367 11.892 0.264 738 HB2 ASN 95 1HB ASN 95 -9.621 13.685 2.666 739 HB3 ASN 95 2HB ASN 95 -10.114 13.996 1.004 740 HD21 ASN 95 1HD2 ASN 95 -11.774 12.332 0.191 741 HD22 ASN 95 2HD2 ASN 95 -13.085 12.009 1.268 742 H MET 96 H MET 96 -7.079 10.644 1.140 743 HA MET 96 HA MET 96 -5.152 12.317 2.310 744 HB2 MET 96 1HB MET 96 -4.716 10.076 0.327 745 HB3 MET 96 2HB MET 96 -3.501 10.759 1.400 746 HG2 MET 96 1HG MET 96 -4.994 10.041 3.315 747 HG3 MET 96 2HG MET 96 -5.903 9.115 2.123 748 HE1 MET 96 1HE MET 96 -3.324 7.336 4.697 749 HE2 MET 96 2HE MET 96 -4.872 8.178 4.610 750 HE3 MET 96 3HE MET 96 -4.716 6.549 3.951 751 H ALA 97 H ALA 97 -3.481 13.553 1.402 752 HA ALA 97 HA ALA 97 -4.030 14.495 -1.336 753 HB1 ALA 97 1HB ALA 97 -2.398 16.321 0.158 754 HB2 ALA 97 2HB ALA 97 -3.981 16.579 -0.576 755 HB3 ALA 97 3HB ALA 97 -3.863 15.938 1.063 756 H SER 98 H SER 98 -2.149 15.255 -2.564 757 HA SER 98 HA SER 98 -0.170 13.333 -2.810 758 HB2 SER 98 1HB SER 98 0.862 14.758 -4.396 759 HB3 SER 98 2HB SER 98 -0.855 15.150 -4.481 760 HG SER 98 HG SER 98 1.276 16.656 -3.508 761 H GLY 99 H GLY 99 2.296 14.163 -2.824 762 HA2 GLY 99 1HA GLY 99 4.082 14.230 -1.345 763 HA3 GLY 99 2HA GLY 99 3.441 15.842 -1.062 764 H ALA 100 H ALA 100 2.262 12.605 -0.164 765 HA ALA 100 HA ALA 100 1.836 13.573 2.558 766 HB1 ALA 100 1HB ALA 100 0.731 11.390 0.904 767 HB2 ALA 100 2HB ALA 100 0.865 11.076 2.634 768 HB3 ALA 100 3HB ALA 100 -0.067 12.458 2.058 769 H VAL 101 H VAL 101 2.352 12.042 4.363 770 HA VAL 101 HA VAL 101 4.788 10.479 3.851 771 HB VAL 101 HB VAL 101 5.561 12.602 4.715 772 HG11 VAL 101 1HG1 VAL 101 4.482 12.516 7.374 773 HG12 VAL 101 2HG1 VAL 101 4.411 13.814 6.180 774 HG13 VAL 101 3HG1 VAL 101 3.176 12.554 6.190 775 HG21 VAL 101 1HG2 VAL 101 5.771 10.142 6.331 776 HG22 VAL 101 2HG2 VAL 101 7.032 11.112 5.572 777 HG23 VAL 101 3HG2 VAL 101 6.323 11.629 7.102 778 H ILE 102 H ILE 102 4.076 8.471 4.259 779 HA ILE 102 HA ILE 102 2.288 7.973 6.504 780 HB ILE 102 HB ILE 102 3.389 6.067 4.435 781 HG12 ILE 102 1HG1 ILE 102 1.881 7.723 3.460 782 HG13 ILE 102 2HG1 ILE 102 1.103 6.145 3.503 783 HG21 ILE 102 1HG2 ILE 102 0.973 5.301 5.876 784 HG22 ILE 102 2HG2 ILE 102 2.419 4.363 5.507 785 HG23 ILE 102 3HG2 ILE 102 2.396 5.432 6.909 786 HD11 ILE 102 1HD1 ILE 102 0.310 8.638 4.731 787 HD12 ILE 102 2HD1 ILE 102 -0.624 7.171 4.436 788 HD13 ILE 102 3HD1 ILE 102 0.361 7.312 5.892 789 H HIS 103 H HIS 103 3.315 7.952 8.415 790 HA HIS 103 HA HIS 103 5.995 7.047 8.761 791 HB2 HIS 103 1HB HIS 103 3.839 7.561 10.821 792 HB3 HIS 103 2HB HIS 103 5.551 7.337 11.170 793 HD1 HIS 103 1HD HIS 103 7.163 9.275 10.461 794 HD2 HIS 103 2HD HIS 103 3.122 10.091 9.945 795 HE1 HIS 103 1HE HIS 103 7.018 11.761 10.112 796 HE2 HIS 103 2HE HIS 103 4.556 12.242 9.887 797 H LEU 104 H LEU 104 6.749 5.067 9.168 798 HA LEU 104 HA LEU 104 4.870 2.859 9.289 799 HB2 LEU 104 1HB LEU 104 7.021 2.983 7.880 800 HB3 LEU 104 2HB LEU 104 7.857 2.619 9.388 801 HG LEU 104 HG LEU 104 6.571 0.510 9.547 802 HD11 LEU 104 1HD1 LEU 104 4.611 1.154 8.272 803 HD12 LEU 104 2HD1 LEU 104 5.356 -0.283 7.571 804 HD13 LEU 104 3HD1 LEU 104 5.584 1.291 6.807 805 HD21 LEU 104 1HD2 LEU 104 8.605 1.182 7.604 806 HD22 LEU 104 2HD2 LEU 104 7.632 -0.192 7.078 807 HD23 LEU 104 3HD2 LEU 104 8.458 -0.240 8.637 808 H ALA 105 H ALA 105 4.478 1.592 11.020 809 HA ALA 105 HA ALA 105 6.055 2.068 13.461 810 HB1 ALA 105 1HB ALA 105 3.716 3.166 13.351 811 HB2 ALA 105 2HB ALA 105 3.115 1.527 13.605 812 HB3 ALA 105 3HB ALA 105 4.175 2.273 14.802 813 H LEU 106 H LEU 106 6.515 0.298 14.701 814 HA LEU 106 HA LEU 106 6.122 -2.280 13.449 815 HB2 LEU 106 1HB LEU 106 7.809 -1.180 15.619 816 HB3 LEU 106 2HB LEU 106 7.405 -2.892 15.715 817 HG LEU 106 HG LEU 106 9.592 -2.469 14.657 818 HD11 LEU 106 1HD1 LEU 106 7.496 -3.639 12.834 819 HD12 LEU 106 2HD1 LEU 106 8.363 -4.490 14.112 820 HD13 LEU 106 3HD1 LEU 106 9.235 -3.898 12.698 821 HD21 LEU 106 1HD2 LEU 106 7.993 -0.607 13.097 822 HD22 LEU 106 2HD2 LEU 106 8.976 -1.672 12.092 823 HD23 LEU 106 3HD2 LEU 106 9.739 -0.679 13.335 824 H LYS 107 H LYS 107 4.992 -4.005 14.281 825 HA LYS 107 HA LYS 107 2.686 -3.437 15.802 826 HB2 LYS 107 1HB LYS 107 2.684 -5.249 14.204 827 HB3 LYS 107 2HB LYS 107 3.979 -6.068 15.068 828 HG2 LYS 107 1HG LYS 107 2.584 -6.736 16.791 829 HG3 LYS 107 2HG LYS 107 1.380 -5.497 16.431 830 HD2 LYS 107 1HD LYS 107 2.003 -7.724 14.510 831 HD3 LYS 107 2HD LYS 107 0.810 -7.905 15.798 832 HE2 LYS 107 1HE LYS 107 0.723 -5.639 13.824 833 HE3 LYS 107 2HE LYS 107 -0.052 -7.192 13.512 834 HZ1 LYS 107 1HZ LYS 107 -1.236 -6.848 15.687 835 HZ2 LYS 107 2HZ LYS 107 -1.692 -5.806 14.436 836 HZ3 LYS 107 3HZ LYS 107 -0.669 -5.255 15.665 837 H GLU 108 H GLU 108 2.578 -3.060 17.908 838 HA GLU 108 HA GLU 108 4.701 -3.706 19.698 839 HB2 GLU 108 1HB GLU 108 3.396 -1.718 20.090 840 HB3 GLU 108 2HB GLU 108 1.911 -2.654 20.177 841 HG2 GLU 108 1HG GLU 108 2.855 -3.799 22.191 842 HG3 GLU 108 2HG GLU 108 4.183 -2.641 22.144 843 H ARG 109 H ARG 109 4.982 -5.438 20.958 844 HA ARG 109 HA ARG 109 2.870 -7.048 21.955 845 HB2 ARG 109 1HB ARG 109 2.972 -7.746 19.521 846 HB3 ARG 109 2HB ARG 109 4.574 -8.389 19.858 847 HG2 ARG 109 1HG ARG 109 3.419 -9.737 21.714 848 HG3 ARG 109 2HG ARG 109 1.921 -9.326 20.875 849 HD2 ARG 109 1HD ARG 109 2.980 -10.251 18.782 850 HD3 ARG 109 2HD ARG 109 4.277 -10.865 19.807 851 HE ARG 109 HE ARG 109 1.670 -11.665 20.689 852 HH11 ARG 109 2HH1 ARG 109 4.282 -12.396 18.507 853 HH12 ARG 109 1HH1 ARG 109 3.879 -14.076 18.380 854 HH21 ARG 109 2HH2 ARG 109 1.129 -13.875 20.530 855 HH22 ARG 109 1HH2 ARG 109 2.085 -14.916 19.531 856 H SER 110 H SER 110 3.559 -7.978 23.774 857 HA SER 110 HA SER 110 6.258 -7.689 24.615 858 HB2 SER 110 1HB SER 110 4.434 -7.591 26.228 859 HB3 SER 110 2HB SER 110 3.973 -9.249 25.845 860 HG SER 110 HG SER 110 5.239 -9.208 27.714 861 H GLY 111 H GLY 111 4.296 -10.480 23.637 862 HA2 GLY 111 1HA GLY 111 5.134 -12.344 22.459 863 HA3 GLY 111 2HA GLY 111 6.759 -11.903 22.962 864 HA PRO 112 HA PRO 112 5.366 -15.536 25.493 865 HB2 PRO 112 1HB PRO 112 7.649 -16.962 25.139 866 HB3 PRO 112 2HB PRO 112 6.290 -17.029 24.011 867 HG2 PRO 112 1HG PRO 112 8.835 -15.465 23.819 868 HG3 PRO 112 2HG PRO 112 7.989 -16.384 22.560 869 HD2 PRO 112 1HD PRO 112 7.808 -13.690 22.767 870 HD3 PRO 112 2HD PRO 112 6.471 -14.694 22.170 871 H SER 113 H SER 113 6.006 -16.036 27.579 872 HA SER 113 HA SER 113 7.386 -14.088 29.032 873 HB2 SER 113 1HB SER 113 6.597 -16.924 29.690 874 HB3 SER 113 2HB SER 113 7.422 -15.890 30.856 875 HG SER 113 HG SER 113 5.178 -15.737 31.110 876 H SER 114 H SER 114 9.477 -13.644 29.077 877 HA SER 114 HA SER 114 11.480 -15.136 27.865 878 HB2 SER 114 1HB SER 114 11.844 -13.200 30.164 879 HB3 SER 114 2HB SER 114 13.062 -13.666 28.977 880 HG SER 114 HG SER 114 10.990 -12.815 27.611 881 H GLY 115 H GLY 115 10.723 -14.892 31.342 882 HA2 GLY 115 1HA GLY 115 10.994 -16.439 33.028 883 HA3 GLY 115 2HA GLY 115 11.357 -17.638 31.795 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -9.479 35.455 -1.664 2 HA2 GLY 1 1HA GLY 1 -8.734 32.841 -2.649 3 HA3 GLY 1 2HA GLY 1 -7.463 34.047 -2.788 4 H SER 2 H SER 2 -8.933 31.777 -0.779 5 HA SER 2 HA SER 2 -8.173 32.959 1.733 6 HB2 SER 2 1HB SER 2 -10.098 31.299 1.324 7 HB3 SER 2 2HB SER 2 -8.850 30.053 1.310 8 HG SER 2 HG SER 2 -8.602 30.265 3.401 9 H SER 3 H SER 3 -6.546 32.212 3.141 10 HA SER 3 HA SER 3 -4.411 30.650 1.842 11 HB2 SER 3 1HB SER 3 -2.763 32.054 3.024 12 HB3 SER 3 2HB SER 3 -3.774 33.016 1.946 13 HG SER 3 HG SER 3 -4.908 33.768 3.695 14 H GLY 4 H GLY 4 -2.938 29.563 3.354 15 HA2 GLY 4 1HA GLY 4 -2.429 28.516 5.385 16 HA3 GLY 4 2HA GLY 4 -3.909 29.172 6.068 17 H SER 5 H SER 5 -2.433 26.383 5.246 18 HA SER 5 HA SER 5 -4.533 24.933 3.994 19 HB2 SER 5 1HB SER 5 -3.211 22.931 4.594 20 HB3 SER 5 2HB SER 5 -2.209 24.180 3.855 21 HG SER 5 HG SER 5 -1.764 24.814 6.129 22 H SER 6 H SER 6 -5.277 22.806 5.182 23 HA SER 6 HA SER 6 -6.195 23.526 7.886 24 HB2 SER 6 1HB SER 6 -7.783 22.556 5.534 25 HB3 SER 6 2HB SER 6 -8.308 22.148 7.167 26 HG SER 6 HG SER 6 -8.206 24.452 7.601 27 H GLY 7 H GLY 7 -7.002 21.598 9.122 28 HA2 GLY 7 1HA GLY 7 -6.177 18.981 8.325 29 HA3 GLY 7 2HA GLY 7 -5.038 19.697 9.455 30 H THR 8 H THR 8 -8.339 18.593 9.018 31 HA THR 8 HA THR 8 -8.489 18.002 11.863 32 HB THR 8 HB THR 8 -10.990 18.972 11.600 33 HG1 THR 8 1HG THR 8 -9.391 20.292 9.730 34 HG21 THR 8 1HG2 THR 8 -9.611 21.216 12.441 35 HG22 THR 8 2HG2 THR 8 -8.498 19.893 12.789 36 HG23 THR 8 3HG2 THR 8 -10.129 19.873 13.459 37 H GLU 9 H GLU 9 -9.369 16.060 12.166 38 HA GLU 9 HA GLU 9 -10.670 14.749 9.908 39 HB2 GLU 9 1HB GLU 9 -9.804 13.609 12.571 40 HB3 GLU 9 2HB GLU 9 -10.382 12.686 11.191 41 HG2 GLU 9 1HG GLU 9 -8.080 12.450 11.088 42 HG3 GLU 9 2HG GLU 9 -8.421 13.722 9.916 43 H ASP 10 H ASP 10 -12.148 16.791 11.204 44 HA ASP 10 HA ASP 10 -14.137 15.377 12.813 45 HB2 ASP 10 1HB ASP 10 -14.023 18.316 12.108 46 HB3 ASP 10 2HB ASP 10 -15.044 17.561 13.329 47 H SER 11 H SER 11 -13.922 17.313 9.845 48 HA SER 11 HA SER 11 -16.470 16.107 8.985 49 HB2 SER 11 1HB SER 11 -16.625 18.563 9.477 50 HB3 SER 11 2HB SER 11 -15.452 18.844 8.191 51 HG SER 11 HG SER 11 -17.039 17.592 6.860 52 H LEU 12 H LEU 12 -14.369 14.638 8.412 53 HA LEU 12 HA LEU 12 -12.751 15.162 6.258 54 HB2 LEU 12 1HB LEU 12 -14.077 12.609 7.127 55 HB3 LEU 12 2HB LEU 12 -12.922 12.667 5.796 56 HG LEU 12 HG LEU 12 -12.171 13.685 8.513 57 HD11 LEU 12 1HD1 LEU 12 -11.831 11.642 9.393 58 HD12 LEU 12 2HD1 LEU 12 -11.413 10.922 7.839 59 HD13 LEU 12 3HD1 LEU 12 -13.106 11.168 8.269 60 HD21 LEU 12 1HD2 LEU 12 -10.159 13.915 7.599 61 HD22 LEU 12 2HD2 LEU 12 -10.900 13.568 6.036 62 HD23 LEU 12 3HD2 LEU 12 -10.183 12.263 6.982 63 H MET 13 H MET 13 -12.882 14.841 4.024 64 HA MET 13 HA MET 13 -15.419 15.465 2.870 65 HB2 MET 13 1HB MET 13 -12.637 15.123 1.892 66 HB3 MET 13 2HB MET 13 -13.923 14.900 0.713 67 HG2 MET 13 1HG MET 13 -13.569 17.120 0.450 68 HG3 MET 13 2HG MET 13 -14.772 17.179 1.736 69 HE1 MET 13 1HE MET 13 -14.672 18.595 3.374 70 HE2 MET 13 2HE MET 13 -13.292 19.316 4.202 71 HE3 MET 13 3HE MET 13 -13.736 19.866 2.586 72 HA PRO 14 HA PRO 14 -16.987 11.511 1.798 73 HB2 PRO 14 1HB PRO 14 -18.023 11.945 -0.673 74 HB3 PRO 14 2HB PRO 14 -18.755 12.588 0.801 75 HG2 PRO 14 1HG PRO 14 -16.976 13.953 -1.181 76 HG3 PRO 14 2HG PRO 14 -18.442 14.560 -0.389 77 HD2 PRO 14 1HD PRO 14 -15.953 15.236 0.437 78 HD3 PRO 14 2HD PRO 14 -17.323 15.089 1.556 79 H GLU 15 H GLU 15 -17.216 10.237 -0.606 80 HA GLU 15 HA GLU 15 -14.404 9.756 -1.325 81 HB2 GLU 15 1HB GLU 15 -15.820 7.909 -0.247 82 HB3 GLU 15 2HB GLU 15 -16.677 7.835 -1.780 83 HG2 GLU 15 1HG GLU 15 -14.209 7.624 -2.720 84 HG3 GLU 15 2HG GLU 15 -13.922 6.990 -1.100 85 H GLU 16 H GLU 16 -17.680 9.746 -2.722 86 HA GLU 16 HA GLU 16 -16.982 9.501 -5.395 87 HB2 GLU 16 1HB GLU 16 -19.304 10.834 -4.027 88 HB3 GLU 16 2HB GLU 16 -19.156 10.840 -5.778 89 HG2 GLU 16 1HG GLU 16 -19.369 8.513 -5.918 90 HG3 GLU 16 2HG GLU 16 -19.062 8.297 -4.196 91 H GLU 17 H GLU 17 -17.921 12.573 -3.840 92 HA GLU 17 HA GLU 17 -17.030 14.241 -5.879 93 HB2 GLU 17 1HB GLU 17 -17.098 14.896 -2.930 94 HB3 GLU 17 2HB GLU 17 -17.131 16.047 -4.258 95 HG2 GLU 17 1HG GLU 17 -19.259 13.988 -3.728 96 HG3 GLU 17 2HG GLU 17 -19.336 15.672 -3.213 97 H PHE 18 H PHE 18 -15.350 13.321 -2.877 98 HA PHE 18 HA PHE 18 -13.060 14.680 -2.929 99 HB2 PHE 18 1HB PHE 18 -13.301 12.997 -1.275 100 HB3 PHE 18 2HB PHE 18 -13.424 11.721 -2.482 101 HD1 PHE 18 2HD PHE 18 -11.062 14.268 -1.154 102 HD2 PHE 18 1HD PHE 18 -11.551 10.495 -3.063 103 HE1 PHE 18 2HE PHE 18 -8.643 13.863 -0.965 104 HE2 PHE 18 1HE PHE 18 -9.132 10.083 -2.876 105 HZ PHE 18 HZ PHE 18 -7.675 11.769 -1.827 106 H LEU 19 H LEU 19 -13.412 11.663 -4.803 107 HA LEU 19 HA LEU 19 -11.036 11.688 -6.163 108 HB2 LEU 19 1HB LEU 19 -13.720 10.908 -7.292 109 HB3 LEU 19 2HB LEU 19 -12.151 10.411 -7.921 110 HG LEU 19 HG LEU 19 -13.147 9.689 -5.170 111 HD11 LEU 19 1HD1 LEU 19 -14.432 8.114 -6.047 112 HD12 LEU 19 2HD1 LEU 19 -13.060 7.466 -6.945 113 HD13 LEU 19 3HD1 LEU 19 -14.067 8.724 -7.662 114 HD21 LEU 19 1HD2 LEU 19 -11.306 8.311 -5.000 115 HD22 LEU 19 2HD2 LEU 19 -10.637 9.696 -5.861 116 HD23 LEU 19 3HD2 LEU 19 -11.069 8.232 -6.746 117 H ARG 20 H ARG 20 -13.979 13.481 -6.935 118 HA ARG 20 HA ARG 20 -13.156 14.496 -9.424 119 HB2 ARG 20 1HB ARG 20 -15.020 15.778 -7.418 120 HB3 ARG 20 2HB ARG 20 -14.917 16.162 -9.131 121 HG2 ARG 20 1HG ARG 20 -15.490 13.675 -9.494 122 HG3 ARG 20 2HG ARG 20 -16.020 13.717 -7.811 123 HD2 ARG 20 1HD ARG 20 -17.632 15.406 -8.281 124 HD3 ARG 20 2HD ARG 20 -16.981 15.661 -9.899 125 HE ARG 20 HE ARG 20 -17.744 13.034 -9.855 126 HH11 ARG 20 2HH1 ARG 20 -19.316 16.086 -9.279 127 HH12 ARG 20 1HH1 ARG 20 -20.869 15.536 -9.817 128 HH21 ARG 20 2HH2 ARG 20 -19.782 12.298 -10.565 129 HH22 ARG 20 1HH2 ARG 20 -21.133 13.381 -10.547 130 H ARG 21 H ARG 21 -12.453 15.466 -6.152 131 HA ARG 21 HA ARG 21 -11.218 17.958 -7.033 132 HB2 ARG 21 1HB ARG 21 -11.919 16.774 -4.374 133 HB3 ARG 21 2HB ARG 21 -10.700 18.039 -4.461 134 HG2 ARG 21 1HG ARG 21 -13.428 18.368 -5.667 135 HG3 ARG 21 2HG ARG 21 -13.087 18.753 -3.979 136 HD2 ARG 21 1HD ARG 21 -11.690 20.513 -4.526 137 HD3 ARG 21 2HD ARG 21 -11.359 19.881 -6.139 138 HE ARG 21 HE ARG 21 -14.093 20.571 -5.879 139 HH11 ARG 21 2HH1 ARG 21 -10.928 21.972 -6.250 140 HH12 ARG 21 1HH1 ARG 21 -11.510 23.400 -7.041 141 HH21 ARG 21 2HH2 ARG 21 -14.871 22.446 -6.918 142 HH22 ARG 21 1HH2 ARG 21 -13.753 23.669 -7.419 143 H ASN 22 H ASN 22 -10.209 15.255 -4.928 144 HA ASN 22 HA ASN 22 -7.466 15.631 -5.932 145 HB2 ASN 22 1HB ASN 22 -8.154 14.206 -3.373 146 HB3 ASN 22 2HB ASN 22 -6.623 14.936 -3.848 147 HD21 ASN 22 1HD2 ASN 22 -9.691 15.428 -2.405 148 HD22 ASN 22 2HD2 ASN 22 -9.469 17.085 -1.969 149 H LYS 23 H LYS 23 -7.459 14.252 -7.661 150 HA LYS 23 HA LYS 23 -8.311 11.483 -7.249 151 HB2 LYS 23 1HB LYS 23 -9.161 12.496 -9.259 152 HB3 LYS 23 2HB LYS 23 -7.552 13.021 -9.735 153 HG2 LYS 23 1HG LYS 23 -6.882 10.854 -10.292 154 HG3 LYS 23 2HG LYS 23 -8.216 10.118 -9.401 155 HD2 LYS 23 1HD LYS 23 -9.028 9.920 -11.526 156 HD3 LYS 23 2HD LYS 23 -9.657 11.520 -11.124 157 HE2 LYS 23 1HE LYS 23 -7.007 11.109 -12.487 158 HE3 LYS 23 2HE LYS 23 -8.518 11.277 -13.379 159 HZ1 LYS 23 1HZ LYS 23 -7.527 13.406 -13.260 160 HZ2 LYS 23 2HZ LYS 23 -7.245 13.275 -11.598 161 HZ3 LYS 23 3HZ LYS 23 -8.827 13.429 -12.177 162 H GLY 24 H GLY 24 -5.462 13.427 -7.884 163 HA2 GLY 24 1HA GLY 24 -3.341 12.638 -7.005 164 HA3 GLY 24 2HA GLY 24 -3.825 11.010 -7.456 165 HA PRO 25 HA PRO 25 -2.157 9.960 -7.826 166 HB2 PRO 25 1HB PRO 25 0.532 9.834 -8.180 167 HB3 PRO 25 2HB PRO 25 -0.617 9.017 -9.246 168 HG2 PRO 25 1HG PRO 25 0.810 11.619 -9.637 169 HG3 PRO 25 2HG PRO 25 0.530 10.311 -10.801 170 HD2 PRO 25 1HD PRO 25 -0.967 12.566 -10.757 171 HD3 PRO 25 2HD PRO 25 -1.629 10.990 -11.236 172 H VAL 26 H VAL 26 -0.641 9.831 -5.930 173 HA VAL 26 HA VAL 26 0.068 12.516 -4.941 174 HB VAL 26 HB VAL 26 -0.545 11.670 -2.645 175 HG11 VAL 26 1HG1 VAL 26 -2.304 12.506 -4.806 176 HG12 VAL 26 2HG1 VAL 26 -3.155 11.649 -3.520 177 HG13 VAL 26 3HG1 VAL 26 -2.200 13.084 -3.143 178 HG21 VAL 26 1HG2 VAL 26 -1.854 9.492 -4.268 179 HG22 VAL 26 2HG2 VAL 26 -0.573 9.297 -3.072 180 HG23 VAL 26 3HG2 VAL 26 -2.182 9.810 -2.565 181 H SER 27 H SER 27 2.043 12.725 -4.068 182 HA SER 27 HA SER 27 3.778 10.388 -4.064 183 HB2 SER 27 1HB SER 27 4.716 12.292 -5.156 184 HB3 SER 27 2HB SER 27 4.313 13.350 -3.805 185 HG SER 27 HG SER 27 6.511 12.776 -3.763 186 H ILE 28 H ILE 28 3.629 9.197 -2.263 187 HA ILE 28 HA ILE 28 3.546 10.572 0.334 188 HB ILE 28 HB ILE 28 2.778 8.469 1.288 189 HG12 ILE 28 1HG1 ILE 28 2.563 7.292 -1.466 190 HG13 ILE 28 2HG1 ILE 28 4.055 7.128 -0.547 191 HG21 ILE 28 1HG2 ILE 28 1.110 10.013 0.429 192 HG22 ILE 28 2HG2 ILE 28 1.220 9.270 -1.166 193 HG23 ILE 28 3HG2 ILE 28 0.584 8.346 0.195 194 HD11 ILE 28 1HD1 ILE 28 1.799 5.501 -0.429 195 HD12 ILE 28 2HD1 ILE 28 3.207 5.462 0.633 196 HD13 ILE 28 3HD1 ILE 28 1.795 6.421 1.075 197 H LYS 29 H LYS 29 4.938 9.932 2.018 198 HA LYS 29 HA LYS 29 7.372 8.544 1.104 199 HB2 LYS 29 1HB LYS 29 7.461 11.053 1.727 200 HB3 LYS 29 2HB LYS 29 7.306 10.498 3.388 201 HG2 LYS 29 1HG LYS 29 9.324 9.036 2.945 202 HG3 LYS 29 2HG LYS 29 9.532 9.951 1.450 203 HD2 LYS 29 1HD LYS 29 9.929 11.957 2.607 204 HD3 LYS 29 2HD LYS 29 9.286 11.311 4.118 205 HE2 LYS 29 1HE LYS 29 11.725 10.150 2.806 206 HE3 LYS 29 2HE LYS 29 11.827 11.529 3.900 207 HZ1 LYS 29 1HZ LYS 29 10.327 9.215 4.842 208 HZ2 LYS 29 2HZ LYS 29 11.352 10.260 5.690 209 HZ3 LYS 29 3HZ LYS 29 12.005 9.031 4.729 210 H VAL 30 H VAL 30 7.858 6.699 2.091 211 HA VAL 30 HA VAL 30 6.386 5.968 4.513 212 HB VAL 30 HB VAL 30 8.050 4.265 2.652 213 HG11 VAL 30 1HG1 VAL 30 6.571 2.503 4.034 214 HG12 VAL 30 2HG1 VAL 30 8.199 2.986 4.513 215 HG13 VAL 30 3HG1 VAL 30 6.796 3.737 5.274 216 HG21 VAL 30 1HG2 VAL 30 6.226 4.019 1.408 217 HG22 VAL 30 2HG2 VAL 30 5.277 3.553 2.820 218 HG23 VAL 30 3HG2 VAL 30 5.433 5.255 2.386 219 H GLN 31 H GLN 31 7.380 6.569 6.332 220 HA GLN 31 HA GLN 31 10.203 6.882 6.555 221 HB2 GLN 31 1HB GLN 31 8.367 8.089 7.882 222 HB3 GLN 31 2HB GLN 31 8.299 6.639 8.874 223 HG2 GLN 31 1HG GLN 31 10.610 8.521 8.513 224 HG3 GLN 31 2HG GLN 31 9.700 8.183 9.985 225 HE21 GLN 31 1HE2 GLN 31 9.848 5.974 10.830 226 HE22 GLN 31 2HE2 GLN 31 11.342 5.123 10.659 227 H VAL 32 H VAL 32 11.545 5.205 6.538 228 HA VAL 32 HA VAL 32 10.713 2.670 7.745 229 HB VAL 32 HB VAL 32 13.209 3.220 6.138 230 HG11 VAL 32 1HG1 VAL 32 13.772 1.142 6.675 231 HG12 VAL 32 2HG1 VAL 32 12.301 0.975 7.636 232 HG13 VAL 32 3HG1 VAL 32 12.290 0.553 5.923 233 HG21 VAL 32 1HG2 VAL 32 11.797 3.509 4.419 234 HG22 VAL 32 2HG2 VAL 32 11.582 1.761 4.508 235 HG23 VAL 32 3HG2 VAL 32 10.428 2.833 5.302 236 HA PRO 33 HA PRO 33 13.163 4.083 11.274 237 HB2 PRO 33 1HB PRO 33 12.159 2.227 12.982 238 HB3 PRO 33 2HB PRO 33 11.307 3.722 12.579 239 HG2 PRO 33 1HG PRO 33 10.911 0.964 11.486 240 HG3 PRO 33 2HG PRO 33 9.695 2.161 11.969 241 HD2 PRO 33 1HD PRO 33 10.380 1.741 9.383 242 HD3 PRO 33 2HD PRO 33 9.881 3.332 9.993 243 H ASN 34 H ASN 34 15.104 3.380 11.989 244 HA ASN 34 HA ASN 34 16.246 1.035 10.811 245 HB2 ASN 34 1HB ASN 34 17.561 3.090 11.186 246 HB3 ASN 34 2HB ASN 34 17.379 2.882 12.925 247 HD21 ASN 34 1HD2 ASN 34 19.275 2.228 10.255 248 HD22 ASN 34 2HD2 ASN 34 20.313 1.037 10.956 249 H MET 35 H MET 35 15.237 -0.787 11.583 250 HA MET 35 HA MET 35 14.931 -1.215 14.425 251 HB2 MET 35 1HB MET 35 14.144 -2.659 11.945 252 HB3 MET 35 2HB MET 35 14.307 -3.605 13.418 253 HG2 MET 35 1HG MET 35 12.523 -1.214 13.024 254 HG3 MET 35 2HG MET 35 12.017 -2.901 13.096 255 HE1 MET 35 1HE MET 35 10.228 -2.102 15.642 256 HE2 MET 35 2HE MET 35 10.948 -0.582 16.172 257 HE3 MET 35 3HE MET 35 10.668 -0.873 14.455 258 H GLN 36 H GLN 36 16.953 -1.338 15.333 259 HA GLN 36 HA GLN 36 18.860 -3.266 14.243 260 HB2 GLN 36 1HB GLN 36 19.746 -1.070 14.794 261 HB3 GLN 36 2HB GLN 36 19.140 -1.208 16.439 262 HG2 GLN 36 1HG GLN 36 20.693 -2.931 16.954 263 HG3 GLN 36 2HG GLN 36 21.173 -3.083 15.264 264 HE21 GLN 36 1HE2 GLN 36 22.082 -1.052 14.294 265 HE22 GLN 36 2HE2 GLN 36 23.158 -0.127 15.279 266 H ASP 37 H ASP 37 16.914 -2.643 17.104 267 HA ASP 37 HA ASP 37 17.835 -4.333 18.984 268 HB2 ASP 37 1HB ASP 37 14.988 -3.891 18.095 269 HB3 ASP 37 2HB ASP 37 15.388 -4.863 19.509 270 H LYS 38 H LYS 38 15.320 -5.508 16.752 271 HA LYS 38 HA LYS 38 16.751 -7.801 15.926 272 HB2 LYS 38 1HB LYS 38 16.284 -8.346 18.357 273 HB3 LYS 38 2HB LYS 38 14.577 -8.389 17.936 274 HG2 LYS 38 1HG LYS 38 15.237 -10.616 17.866 275 HG3 LYS 38 2HG LYS 38 15.246 -10.117 16.172 276 HD2 LYS 38 1HD LYS 38 17.613 -9.924 16.153 277 HD3 LYS 38 2HD LYS 38 17.705 -10.068 17.910 278 HE2 LYS 38 1HE LYS 38 18.378 -12.151 16.895 279 HE3 LYS 38 2HE LYS 38 16.843 -12.375 17.731 280 HZ1 LYS 38 1HZ LYS 38 17.127 -13.333 15.380 281 HZ2 LYS 38 2HZ LYS 38 16.895 -11.743 14.852 282 HZ3 LYS 38 3HZ LYS 38 15.690 -12.520 15.749 283 H THR 39 H THR 39 15.917 -8.293 14.014 284 HA THR 39 HA THR 39 13.177 -8.737 13.526 285 HB THR 39 HB THR 39 13.122 -6.241 13.690 286 HG1 THR 39 1HG THR 39 11.593 -6.297 12.214 287 HG21 THR 39 1HG2 THR 39 14.010 -5.069 11.588 288 HG22 THR 39 2HG2 THR 39 15.012 -6.504 11.368 289 HG23 THR 39 3HG2 THR 39 15.182 -5.523 12.823 290 H GLU 40 H GLU 40 12.742 -9.367 11.331 291 HA GLU 40 HA GLU 40 15.196 -9.994 9.824 292 HB2 GLU 40 1HB GLU 40 13.925 -11.944 8.920 293 HB3 GLU 40 2HB GLU 40 14.218 -12.024 10.651 294 HG2 GLU 40 1HG GLU 40 11.944 -11.286 11.088 295 HG3 GLU 40 2HG GLU 40 11.643 -11.157 9.356 296 H TRP 41 H TRP 41 14.101 -7.553 9.376 297 HA TRP 41 HA TRP 41 12.955 -7.882 6.690 298 HB2 TRP 41 1HB TRP 41 12.090 -5.722 8.619 299 HB3 TRP 41 2HB TRP 41 11.415 -6.065 7.028 300 HD1 TRP 41 HD TRP 41 11.000 -9.193 7.300 301 HE1 TRP 41 1HE TRP 41 9.180 -10.106 8.873 302 HE3 TRP 41 3HE TRP 41 10.462 -5.134 10.362 303 HZ2 TRP 41 2HZ TRP 41 7.709 -9.223 11.115 304 HZ3 TRP 41 3HZ TRP 41 8.826 -5.249 12.196 305 HH2 TRP 41 HH TRP 41 7.479 -7.252 12.563 306 H LYS 42 H LYS 42 13.088 -5.724 5.461 307 HA LYS 42 HA LYS 42 15.832 -4.787 5.694 308 HB2 LYS 42 1HB LYS 42 13.707 -4.403 3.584 309 HB3 LYS 42 2HB LYS 42 15.284 -3.628 3.512 310 HG2 LYS 42 1HG LYS 42 16.213 -6.028 3.741 311 HG3 LYS 42 2HG LYS 42 14.590 -6.523 3.253 312 HD2 LYS 42 1HD LYS 42 14.937 -4.814 1.324 313 HD3 LYS 42 2HD LYS 42 16.649 -4.988 1.715 314 HE2 LYS 42 1HE LYS 42 14.803 -7.289 1.095 315 HE3 LYS 42 2HE LYS 42 15.848 -6.509 -0.092 316 HZ1 LYS 42 1HZ LYS 42 16.890 -8.485 0.784 317 HZ2 LYS 42 2HZ LYS 42 16.742 -7.912 2.369 318 HZ3 LYS 42 3HZ LYS 42 17.762 -7.120 1.276 319 H LEU 43 H LEU 43 15.467 -3.571 7.663 320 HA LEU 43 HA LEU 43 14.298 -0.928 7.104 321 HB2 LEU 43 1HB LEU 43 14.196 -2.352 9.757 322 HB3 LEU 43 2HB LEU 43 13.490 -0.784 9.371 323 HG LEU 43 HG LEU 43 12.589 -3.249 7.927 324 HD11 LEU 43 1HD1 LEU 43 10.691 -3.087 9.752 325 HD12 LEU 43 2HD1 LEU 43 12.017 -2.469 10.736 326 HD13 LEU 43 3HD1 LEU 43 12.133 -4.069 10.005 327 HD21 LEU 43 1HD2 LEU 43 10.559 -1.983 7.642 328 HD22 LEU 43 2HD2 LEU 43 11.931 -1.001 7.128 329 HD23 LEU 43 3HD2 LEU 43 11.167 -0.702 8.690 330 H ASN 44 H ASN 44 16.139 0.209 6.780 331 HA ASN 44 HA ASN 44 17.988 0.384 9.054 332 HB2 ASN 44 1HB ASN 44 18.757 0.116 6.142 333 HB3 ASN 44 2HB ASN 44 19.876 0.616 7.407 334 HD21 ASN 44 1HD2 ASN 44 20.555 -1.523 5.994 335 HD22 ASN 44 2HD2 ASN 44 20.354 -2.974 6.910 336 H GLY 45 H GLY 45 16.518 2.262 9.408 337 HA2 GLY 45 1HA GLY 45 15.881 4.478 9.076 338 HA3 GLY 45 2HA GLY 45 17.626 4.673 9.140 339 H GLN 46 H GLN 46 14.855 4.323 7.010 340 HA GLN 46 HA GLN 46 16.183 5.944 5.017 341 HB2 GLN 46 1HB GLN 46 15.736 4.318 3.184 342 HB3 GLN 46 2HB GLN 46 16.963 3.776 4.321 343 HG2 GLN 46 1HG GLN 46 15.080 2.502 5.477 344 HG3 GLN 46 2HG GLN 46 14.141 2.816 4.018 345 HE21 GLN 46 1HE2 GLN 46 14.106 0.459 3.910 346 HE22 GLN 46 2HE2 GLN 46 15.426 -0.359 3.153 347 H GLY 47 H GLY 47 14.557 5.913 2.952 348 HA2 GLY 47 1HA GLY 47 11.799 6.041 3.957 349 HA3 GLY 47 2HA GLY 47 12.503 7.475 3.226 350 H LEU 48 H LEU 48 10.391 5.180 2.585 351 HA LEU 48 HA LEU 48 11.228 4.823 -0.214 352 HB2 LEU 48 1HB LEU 48 9.188 3.254 1.355 353 HB3 LEU 48 2HB LEU 48 9.712 2.927 -0.296 354 HG LEU 48 HG LEU 48 11.440 2.702 2.168 355 HD11 LEU 48 1HD1 LEU 48 11.229 0.361 1.984 356 HD12 LEU 48 2HD1 LEU 48 10.419 0.479 0.422 357 HD13 LEU 48 3HD1 LEU 48 9.588 1.003 1.887 358 HD21 LEU 48 1HD2 LEU 48 12.528 1.307 -0.007 359 HD22 LEU 48 2HD2 LEU 48 13.156 2.765 0.762 360 HD23 LEU 48 3HD2 LEU 48 12.072 2.895 -0.625 361 H VAL 49 H VAL 49 10.248 6.083 -1.638 362 HA VAL 49 HA VAL 49 7.534 7.060 -1.028 363 HB VAL 49 HB VAL 49 9.674 8.350 -2.728 364 HG11 VAL 49 1HG1 VAL 49 8.006 9.380 -3.780 365 HG12 VAL 49 2HG1 VAL 49 6.805 8.680 -2.693 366 HG13 VAL 49 3HG1 VAL 49 7.628 10.177 -2.253 367 HG21 VAL 49 1HG2 VAL 49 10.267 9.546 -0.942 368 HG22 VAL 49 2HG2 VAL 49 8.589 9.895 -0.525 369 HG23 VAL 49 3HG2 VAL 49 9.340 8.395 0.022 370 H PHE 50 H PHE 50 5.949 6.935 -2.577 371 HA PHE 50 HA PHE 50 6.603 5.893 -5.215 372 HB2 PHE 50 1HB PHE 50 4.515 4.493 -3.551 373 HB3 PHE 50 2HB PHE 50 5.198 3.982 -5.091 374 HD1 PHE 50 1HD PHE 50 7.734 3.465 -5.105 375 HD2 PHE 50 2HD PHE 50 5.354 3.635 -1.580 376 HE1 PHE 50 1HE PHE 50 9.407 2.109 -3.914 377 HE2 PHE 50 2HE PHE 50 7.023 2.280 -0.383 378 HZ PHE 50 HZ PHE 50 9.053 1.516 -1.550 379 H THR 51 H THR 51 5.175 6.500 -6.783 380 HA THR 51 HA THR 51 3.042 8.327 -5.931 381 HB THR 51 HB THR 51 3.105 8.834 -8.522 382 HG1 THR 51 1HG THR 51 5.574 8.668 -8.945 383 HG21 THR 51 1HG2 THR 51 3.593 10.519 -6.894 384 HG22 THR 51 2HG2 THR 51 4.901 10.531 -8.077 385 HG23 THR 51 3HG2 THR 51 5.141 9.772 -6.504 386 H LEU 52 H LEU 52 1.114 7.381 -5.779 387 HA LEU 52 HA LEU 52 0.170 5.774 -8.036 388 HB2 LEU 52 1HB LEU 52 -0.224 4.954 -5.164 389 HB3 LEU 52 2HB LEU 52 -0.776 4.090 -6.598 390 HG LEU 52 HG LEU 52 1.843 4.071 -7.101 391 HD11 LEU 52 1HD1 LEU 52 2.175 5.359 -4.911 392 HD12 LEU 52 2HD1 LEU 52 3.201 3.956 -5.208 393 HD13 LEU 52 3HD1 LEU 52 1.825 3.825 -4.113 394 HD21 LEU 52 1HD2 LEU 52 1.703 1.897 -5.494 395 HD22 LEU 52 2HD2 LEU 52 1.023 1.977 -7.120 396 HD23 LEU 52 3HD2 LEU 52 -0.010 2.255 -5.717 397 HA PRO 53 HA PRO 53 -3.359 8.381 -7.588 398 HB2 PRO 53 1HB PRO 53 -5.098 6.943 -9.098 399 HB3 PRO 53 2HB PRO 53 -3.791 7.908 -9.794 400 HG2 PRO 53 1HG PRO 53 -3.901 4.962 -9.277 401 HG3 PRO 53 2HG PRO 53 -3.282 5.826 -10.697 402 HD2 PRO 53 1HD PRO 53 -1.657 4.844 -8.766 403 HD3 PRO 53 2HD PRO 53 -1.274 6.318 -9.677 404 H LEU 54 H LEU 54 -5.457 8.420 -6.643 405 HA LEU 54 HA LEU 54 -5.832 6.349 -4.633 406 HB2 LEU 54 1HB LEU 54 -6.901 9.109 -5.050 407 HB3 LEU 54 2HB LEU 54 -7.729 7.999 -3.960 408 HG LEU 54 HG LEU 54 -5.708 7.826 -2.594 409 HD11 LEU 54 1HD1 LEU 54 -4.050 9.847 -3.268 410 HD12 LEU 54 2HD1 LEU 54 -4.552 9.294 -4.865 411 HD13 LEU 54 3HD1 LEU 54 -3.802 8.165 -3.737 412 HD21 LEU 54 1HD2 LEU 54 -6.570 10.664 -3.146 413 HD22 LEU 54 2HD2 LEU 54 -5.716 10.114 -1.704 414 HD23 LEU 54 3HD2 LEU 54 -7.347 9.531 -2.040 415 H THR 55 H THR 55 -6.586 4.658 -5.975 416 HA THR 55 HA THR 55 -9.379 5.010 -6.842 417 HB THR 55 HB THR 55 -8.904 3.270 -8.611 418 HG1 THR 55 1HG THR 55 -6.186 3.994 -8.202 419 HG21 THR 55 1HG2 THR 55 -9.038 5.769 -8.998 420 HG22 THR 55 2HG2 THR 55 -8.131 4.854 -10.203 421 HG23 THR 55 3HG2 THR 55 -7.275 5.779 -8.969 422 H ASP 56 H ASP 56 -6.899 2.777 -5.681 423 HA ASP 56 HA ASP 56 -8.994 0.874 -4.902 424 HB2 ASP 56 1HB ASP 56 -6.095 0.637 -5.529 425 HB3 ASP 56 2HB ASP 56 -6.753 -0.469 -4.326 426 H GLN 57 H GLN 57 -7.991 -0.428 -2.816 427 HA GLN 57 HA GLN 57 -8.240 1.494 -0.686 428 HB2 GLN 57 1HB GLN 57 -7.998 -1.505 -0.770 429 HB3 GLN 57 2HB GLN 57 -7.975 -0.617 0.748 430 HG2 GLN 57 1HG GLN 57 -10.179 0.078 0.520 431 HG3 GLN 57 2HG GLN 57 -10.200 -0.240 -1.214 432 HE21 GLN 57 1HE2 GLN 57 -12.137 -1.427 -0.870 433 HE22 GLN 57 2HE2 GLN 57 -12.083 -3.043 -0.264 434 H VAL 58 H VAL 58 -6.725 0.762 1.338 435 HA VAL 58 HA VAL 58 -4.147 1.754 0.663 436 HB VAL 58 HB VAL 58 -4.987 0.439 3.248 437 HG11 VAL 58 1HG1 VAL 58 -2.892 0.803 3.884 438 HG12 VAL 58 2HG1 VAL 58 -2.515 1.543 2.327 439 HG13 VAL 58 3HG1 VAL 58 -3.144 2.532 3.646 440 HG21 VAL 58 1HG2 VAL 58 -5.652 2.578 4.049 441 HG22 VAL 58 2HG2 VAL 58 -5.049 3.380 2.599 442 HG23 VAL 58 3HG2 VAL 58 -6.464 2.332 2.503 443 H SER 59 H SER 59 -5.505 -1.361 0.646 444 HA SER 59 HA SER 59 -3.378 -2.999 1.370 445 HB2 SER 59 1HB SER 59 -4.455 -4.589 -0.404 446 HB3 SER 59 2HB SER 59 -5.379 -4.141 1.029 447 HG SER 59 HG SER 59 -5.775 -3.465 -1.624 448 H VAL 60 H VAL 60 -4.111 -1.486 -1.744 449 HA VAL 60 HA VAL 60 -2.058 -2.706 -3.231 450 HB VAL 60 HB VAL 60 -2.380 -0.965 -4.872 451 HG11 VAL 60 1HG1 VAL 60 -4.614 -1.370 -5.405 452 HG12 VAL 60 2HG1 VAL 60 -4.169 -2.747 -4.395 453 HG13 VAL 60 3HG1 VAL 60 -5.108 -1.418 -3.713 454 HG21 VAL 60 1HG2 VAL 60 -4.369 0.594 -3.423 455 HG22 VAL 60 2HG2 VAL 60 -2.756 0.707 -2.719 456 HG23 VAL 60 3HG2 VAL 60 -3.010 1.131 -4.412 457 H ILE 61 H ILE 61 -1.953 -0.320 -0.801 458 HA ILE 61 HA ILE 61 0.551 0.848 -1.692 459 HB ILE 61 HB ILE 61 -1.028 1.279 0.847 460 HG12 ILE 61 1HG1 ILE 61 -0.667 3.147 -1.499 461 HG13 ILE 61 2HG1 ILE 61 -2.034 2.047 -1.352 462 HG21 ILE 61 1HG2 ILE 61 0.728 2.347 1.680 463 HG22 ILE 61 2HG2 ILE 61 1.672 1.904 0.259 464 HG23 ILE 61 3HG2 ILE 61 0.759 3.413 0.275 465 HD11 ILE 61 1HD1 ILE 61 -1.580 3.705 1.009 466 HD12 ILE 61 2HD1 ILE 61 -1.978 4.607 -0.453 467 HD13 ILE 61 3HD1 ILE 61 -3.069 3.351 0.132 468 H LYS 62 H LYS 62 -0.606 -1.404 0.754 469 HA LYS 62 HA LYS 62 1.878 -1.650 2.124 470 HB2 LYS 62 1HB LYS 62 -0.466 -3.560 2.032 471 HB3 LYS 62 2HB LYS 62 0.853 -3.610 3.194 472 HG2 LYS 62 1HG LYS 62 0.150 -1.256 3.854 473 HG3 LYS 62 2HG LYS 62 -1.322 -1.562 2.929 474 HD2 LYS 62 1HD LYS 62 -2.101 -3.109 4.422 475 HD3 LYS 62 2HD LYS 62 -0.481 -3.602 4.922 476 HE2 LYS 62 1HE LYS 62 -1.397 -0.844 5.570 477 HE3 LYS 62 2HE LYS 62 -2.048 -2.187 6.508 478 HZ1 LYS 62 1HZ LYS 62 0.005 -2.697 7.370 479 HZ2 LYS 62 2HZ LYS 62 0.105 -1.011 7.279 480 HZ3 LYS 62 3HZ LYS 62 0.858 -1.967 6.105 481 H VAL 63 H VAL 63 0.317 -3.436 -0.489 482 HA VAL 63 HA VAL 63 1.989 -5.636 -0.662 483 HB VAL 63 HB VAL 63 -0.104 -5.170 -2.024 484 HG11 VAL 63 1HG1 VAL 63 1.776 -3.925 -4.005 485 HG12 VAL 63 2HG1 VAL 63 0.012 -3.963 -4.027 486 HG13 VAL 63 3HG1 VAL 63 0.859 -2.950 -2.857 487 HG21 VAL 63 1HG2 VAL 63 2.271 -6.185 -3.579 488 HG22 VAL 63 2HG2 VAL 63 1.419 -7.115 -2.346 489 HG23 VAL 63 3HG2 VAL 63 0.577 -6.618 -3.814 490 H LYS 64 H LYS 64 2.441 -2.380 -1.953 491 HA LYS 64 HA LYS 64 4.708 -2.852 -3.516 492 HB2 LYS 64 1HB LYS 64 4.045 -0.346 -1.960 493 HB3 LYS 64 2HB LYS 64 5.137 -0.456 -3.334 494 HG2 LYS 64 1HG LYS 64 2.319 -1.343 -3.679 495 HG3 LYS 64 2HG LYS 64 2.670 0.386 -3.617 496 HD2 LYS 64 1HD LYS 64 3.926 0.334 -5.557 497 HD3 LYS 64 2HD LYS 64 4.284 -1.388 -5.401 498 HE2 LYS 64 1HE LYS 64 1.977 -1.930 -5.963 499 HE3 LYS 64 2HE LYS 64 1.586 -0.214 -6.070 500 HZ1 LYS 64 1HZ LYS 64 3.706 -1.401 -7.747 501 HZ2 LYS 64 2HZ LYS 64 2.837 0.029 -7.995 502 HZ3 LYS 64 3HZ LYS 64 2.083 -1.469 -8.219 503 H ILE 65 H ILE 65 4.468 -1.853 -0.112 504 HA ILE 65 HA ILE 65 7.113 -1.533 0.520 505 HB ILE 65 HB ILE 65 5.014 -2.852 2.245 506 HG12 ILE 65 1HG1 ILE 65 5.871 -0.010 2.547 507 HG13 ILE 65 2HG1 ILE 65 4.782 -0.411 1.224 508 HG21 ILE 65 1HG2 ILE 65 7.671 -2.837 2.745 509 HG22 ILE 65 2HG2 ILE 65 7.188 -1.312 3.487 510 HG23 ILE 65 3HG2 ILE 65 6.428 -2.820 3.996 511 HD11 ILE 65 1HD1 ILE 65 3.186 -0.032 2.740 512 HD12 ILE 65 2HD1 ILE 65 3.570 -1.661 3.298 513 HD13 ILE 65 3HD1 ILE 65 4.283 -0.262 4.102 514 H HIS 66 H HIS 66 5.372 -4.570 1.207 515 HA HIS 66 HA HIS 66 7.473 -6.187 1.808 516 HB2 HIS 66 1HB HIS 66 5.060 -6.842 1.839 517 HB3 HIS 66 2HB HIS 66 5.136 -7.047 0.091 518 HD1 HIS 66 1HD HIS 66 6.233 -9.168 -0.801 519 HD2 HIS 66 2HD HIS 66 6.446 -8.813 3.333 520 HE1 HIS 66 1HE HIS 66 7.022 -11.408 0.026 521 HE2 HIS 66 2HE HIS 66 7.062 -11.195 2.535 522 H GLU 67 H GLU 67 6.566 -5.011 -1.346 523 HA GLU 67 HA GLU 67 7.972 -6.796 -2.967 524 HB2 GLU 67 1HB GLU 67 6.383 -4.703 -3.478 525 HB3 GLU 67 2HB GLU 67 7.938 -3.928 -3.744 526 HG2 GLU 67 1HG GLU 67 6.712 -6.226 -5.215 527 HG3 GLU 67 2HG GLU 67 7.296 -4.687 -5.847 528 H ALA 68 H ALA 68 9.033 -3.614 -1.754 529 HA ALA 68 HA ALA 68 11.745 -4.076 -2.604 530 HB1 ALA 68 1HB ALA 68 11.417 -1.898 -0.724 531 HB2 ALA 68 2HB ALA 68 11.951 -1.868 -2.406 532 HB3 ALA 68 3HB ALA 68 10.229 -1.829 -2.026 533 H THR 69 H THR 69 10.188 -3.605 0.572 534 HA THR 69 HA THR 69 12.541 -4.748 1.875 535 HB THR 69 HB THR 69 11.631 -3.957 3.956 536 HG1 THR 69 1HG THR 69 9.415 -4.404 3.532 537 HG21 THR 69 1HG2 THR 69 10.887 -1.611 2.346 538 HG22 THR 69 2HG2 THR 69 12.455 -2.316 1.951 539 HG23 THR 69 3HG2 THR 69 12.116 -1.783 3.597 540 H GLY 70 H GLY 70 12.344 -6.444 3.443 541 HA2 GLY 70 1HA GLY 70 10.497 -8.496 2.593 542 HA3 GLY 70 2HA GLY 70 11.764 -8.664 3.798 543 H MET 71 H MET 71 9.162 -6.273 3.758 544 HA MET 71 HA MET 71 8.263 -7.344 6.343 545 HB2 MET 71 1HB MET 71 9.044 -4.875 5.956 546 HB3 MET 71 2HB MET 71 7.433 -4.668 5.282 547 HG2 MET 71 1HG MET 71 6.394 -5.162 7.325 548 HG3 MET 71 2HG MET 71 7.874 -5.833 8.007 549 HE1 MET 71 1HE MET 71 7.733 -2.870 10.373 550 HE2 MET 71 2HE MET 71 6.290 -3.724 9.825 551 HE3 MET 71 3HE MET 71 7.777 -4.618 10.142 552 HA PRO 72 HA PRO 72 4.614 -8.809 4.292 553 HB2 PRO 72 1HB PRO 72 3.243 -9.490 6.534 554 HB3 PRO 72 2HB PRO 72 4.575 -10.458 5.891 555 HG2 PRO 72 1HG PRO 72 4.585 -8.470 8.129 556 HG3 PRO 72 2HG PRO 72 5.362 -10.062 8.043 557 HD2 PRO 72 1HD PRO 72 6.721 -7.753 7.646 558 HD3 PRO 72 2HD PRO 72 7.143 -9.265 6.816 559 H ALA 73 H ALA 73 2.327 -8.318 4.197 560 HA ALA 73 HA ALA 73 1.805 -5.527 4.845 561 HB1 ALA 73 1HB ALA 73 -0.425 -6.489 3.533 562 HB2 ALA 73 2HB ALA 73 0.934 -5.639 2.796 563 HB3 ALA 73 3HB ALA 73 0.905 -7.403 2.819 564 H GLY 74 H GLY 74 1.819 -6.477 7.201 565 HA2 GLY 74 1HA GLY 74 -0.907 -6.394 8.090 566 HA3 GLY 74 2HA GLY 74 -0.191 -7.986 8.292 567 H LYS 75 H LYS 75 2.374 -7.392 9.033 568 HA LYS 75 HA LYS 75 2.016 -6.684 11.773 569 HB2 LYS 75 1HB LYS 75 4.318 -7.511 10.061 570 HB3 LYS 75 2HB LYS 75 4.660 -6.755 11.612 571 HG2 LYS 75 1HG LYS 75 2.990 -8.523 12.536 572 HG3 LYS 75 2HG LYS 75 3.348 -9.368 11.028 573 HD2 LYS 75 1HD LYS 75 4.951 -10.253 12.422 574 HD3 LYS 75 2HD LYS 75 5.834 -8.901 11.709 575 HE2 LYS 75 1HE LYS 75 6.218 -8.929 14.085 576 HE3 LYS 75 2HE LYS 75 5.231 -7.527 13.678 577 HZ1 LYS 75 1HZ LYS 75 3.370 -9.390 14.202 578 HZ2 LYS 75 2HZ LYS 75 3.938 -8.263 15.329 579 HZ3 LYS 75 3HZ LYS 75 4.584 -9.826 15.297 580 H GLN 76 H GLN 76 3.262 -5.040 8.933 581 HA GLN 76 HA GLN 76 4.336 -2.812 10.369 582 HB2 GLN 76 1HB GLN 76 4.566 -1.772 8.153 583 HB3 GLN 76 2HB GLN 76 5.209 -3.409 8.175 584 HG2 GLN 76 1HG GLN 76 3.147 -4.218 7.123 585 HG3 GLN 76 2HG GLN 76 2.539 -2.564 7.070 586 HE21 GLN 76 1HE2 GLN 76 3.521 -4.752 5.084 587 HE22 GLN 76 2HE2 GLN 76 4.470 -3.842 3.964 588 H LYS 77 H LYS 77 3.268 -1.155 11.208 589 HA LYS 77 HA LYS 77 0.447 -0.797 10.530 590 HB2 LYS 77 1HB LYS 77 1.592 -0.889 12.944 591 HB3 LYS 77 2HB LYS 77 1.757 0.837 12.644 592 HG2 LYS 77 1HG LYS 77 -0.726 0.840 12.135 593 HG3 LYS 77 2HG LYS 77 -0.761 -0.787 12.817 594 HD2 LYS 77 1HD LYS 77 0.531 1.388 14.388 595 HD3 LYS 77 2HD LYS 77 -1.232 1.337 14.310 596 HE2 LYS 77 1HE LYS 77 -0.947 -0.003 16.117 597 HE3 LYS 77 2HE LYS 77 -0.770 -1.230 14.864 598 HZ1 LYS 77 1HZ LYS 77 0.982 -1.337 16.558 599 HZ2 LYS 77 2HZ LYS 77 1.485 0.222 16.138 600 HZ3 LYS 77 3HZ LYS 77 1.608 -1.037 15.015 601 H LEU 78 H LEU 78 0.019 0.572 8.932 602 HA LEU 78 HA LEU 78 1.842 2.740 8.303 603 HB2 LEU 78 1HB LEU 78 -0.638 1.656 7.003 604 HB3 LEU 78 2HB LEU 78 0.118 3.154 6.464 605 HG LEU 78 HG LEU 78 1.205 0.355 6.313 606 HD11 LEU 78 1HD1 LEU 78 1.419 0.900 3.944 607 HD12 LEU 78 2HD1 LEU 78 0.761 2.508 4.250 608 HD13 LEU 78 3HD1 LEU 78 -0.247 1.082 4.495 609 HD21 LEU 78 1HD2 LEU 78 3.158 1.795 5.192 610 HD22 LEU 78 2HD2 LEU 78 3.177 1.308 6.887 611 HD23 LEU 78 3HD2 LEU 78 2.650 2.932 6.441 612 H GLN 79 H GLN 79 1.687 4.575 9.404 613 HA GLN 79 HA GLN 79 -0.963 5.472 10.303 614 HB2 GLN 79 1HB GLN 79 1.045 5.129 11.916 615 HB3 GLN 79 2HB GLN 79 1.631 6.648 11.252 616 HG2 GLN 79 1HG GLN 79 -0.696 7.561 11.864 617 HG3 GLN 79 2HG GLN 79 -0.820 6.128 12.883 618 HE21 GLN 79 1HE2 GLN 79 -0.752 7.106 14.837 619 HE22 GLN 79 2HE2 GLN 79 0.608 7.989 15.431 620 H TYR 80 H TYR 80 -1.792 7.397 9.670 621 HA TYR 80 HA TYR 80 -0.109 9.179 8.055 622 HB2 TYR 80 1HB TYR 80 -1.197 8.098 6.312 623 HB3 TYR 80 2HB TYR 80 -2.672 7.860 7.242 624 HD1 TYR 80 1HD TYR 80 -0.612 10.743 6.031 625 HD2 TYR 80 2HD TYR 80 -4.493 9.078 6.546 626 HE1 TYR 80 1HE TYR 80 -1.598 12.727 4.962 627 HE2 TYR 80 2HE TYR 80 -5.490 11.056 5.477 628 HH TYR 80 HH TYR 80 -5.046 13.257 4.900 629 H GLU 81 H GLU 81 -0.086 11.018 9.166 630 HA GLU 81 HA GLU 81 -0.763 12.861 10.315 631 HB2 GLU 81 1HB GLU 81 -3.232 12.152 8.765 632 HB3 GLU 81 2HB GLU 81 -3.264 13.478 9.918 633 HG2 GLU 81 1HG GLU 81 -1.116 13.391 7.857 634 HG3 GLU 81 2HG GLU 81 -2.738 13.913 7.403 635 H GLY 82 H GLY 82 -0.557 10.679 11.891 636 HA2 GLY 82 1HA GLY 82 -1.139 9.933 13.984 637 HA3 GLY 82 2HA GLY 82 -2.192 11.336 14.098 638 H ILE 83 H ILE 83 -2.527 8.955 11.565 639 HA ILE 83 HA ILE 83 -4.966 7.956 12.883 640 HB ILE 83 HB ILE 83 -4.608 8.441 9.924 641 HG12 ILE 83 1HG1 ILE 83 -6.521 9.864 11.765 642 HG13 ILE 83 2HG1 ILE 83 -4.891 10.466 11.483 643 HG21 ILE 83 1HG2 ILE 83 -6.712 7.119 11.554 644 HG22 ILE 83 2HG2 ILE 83 -7.210 8.065 10.153 645 HG23 ILE 83 3HG2 ILE 83 -6.099 6.711 9.952 646 HD11 ILE 83 1HD1 ILE 83 -6.915 9.975 9.314 647 HD12 ILE 83 2HD1 ILE 83 -6.619 11.538 10.078 648 HD13 ILE 83 3HD1 ILE 83 -5.341 10.752 9.150 649 H PHE 84 H PHE 84 -5.533 5.791 12.500 650 HA PHE 84 HA PHE 84 -3.270 4.119 11.669 651 HB2 PHE 84 1HB PHE 84 -5.668 3.581 13.417 652 HB3 PHE 84 2HB PHE 84 -4.620 2.292 12.836 653 HD1 PHE 84 2HD PHE 84 -1.982 3.036 13.156 654 HD2 PHE 84 1HD PHE 84 -5.285 4.178 15.586 655 HE1 PHE 84 2HE PHE 84 -0.454 3.427 15.044 656 HE2 PHE 84 1HE PHE 84 -3.761 4.573 17.477 657 HZ PHE 84 HZ PHE 84 -1.342 4.196 17.208 658 H ILE 85 H ILE 85 -3.673 4.359 9.413 659 HA ILE 85 HA ILE 85 -6.180 3.520 8.286 660 HB ILE 85 HB ILE 85 -5.040 3.739 6.109 661 HG12 ILE 85 1HG1 ILE 85 -2.616 4.826 7.477 662 HG13 ILE 85 2HG1 ILE 85 -2.766 3.082 7.291 663 HG21 ILE 85 1HG2 ILE 85 -4.815 6.112 6.151 664 HG22 ILE 85 2HG2 ILE 85 -6.066 5.678 7.315 665 HG23 ILE 85 3HG2 ILE 85 -4.450 6.104 7.877 666 HD11 ILE 85 1HD1 ILE 85 -1.899 5.006 5.399 667 HD12 ILE 85 2HD1 ILE 85 -2.001 3.254 5.229 668 HD13 ILE 85 3HD1 ILE 85 -3.381 4.263 4.798 669 H LYS 86 H LYS 86 -6.645 1.630 7.206 670 HA LYS 86 HA LYS 86 -4.648 -0.526 7.412 671 HB2 LYS 86 1HB LYS 86 -7.530 -0.495 8.211 672 HB3 LYS 86 2HB LYS 86 -6.824 -1.994 7.623 673 HG2 LYS 86 1HG LYS 86 -6.435 -2.257 9.840 674 HG3 LYS 86 2HG LYS 86 -4.963 -1.385 9.405 675 HD2 LYS 86 1HD LYS 86 -6.146 0.737 10.026 676 HD3 LYS 86 2HD LYS 86 -7.468 -0.255 10.647 677 HE2 LYS 86 1HE LYS 86 -4.613 -0.528 11.567 678 HE3 LYS 86 2HE LYS 86 -5.788 0.523 12.356 679 HZ1 LYS 86 1HZ LYS 86 -5.407 -1.929 13.151 680 HZ2 LYS 86 2HZ LYS 86 -6.513 -2.281 11.920 681 HZ3 LYS 86 3HZ LYS 86 -6.951 -1.237 13.177 682 H ASP 87 H ASP 87 -5.414 -2.471 6.004 683 HA ASP 87 HA ASP 87 -5.570 -1.510 3.314 684 HB2 ASP 87 1HB ASP 87 -5.849 -4.143 2.972 685 HB3 ASP 87 2HB ASP 87 -4.292 -3.405 3.338 686 H SER 88 H SER 88 -7.809 -2.936 5.594 687 HA SER 88 HA SER 88 -9.859 -3.605 3.777 688 HB2 SER 88 1HB SER 88 -11.329 -3.637 5.762 689 HB3 SER 88 2HB SER 88 -9.813 -4.486 6.061 690 HG SER 88 HG SER 88 -9.950 -3.215 7.787 691 H ASN 89 H ASN 89 -8.862 -0.602 5.187 692 HA ASN 89 HA ASN 89 -11.324 0.756 4.439 693 HB2 ASN 89 1HB ASN 89 -8.828 1.586 5.898 694 HB3 ASN 89 2HB ASN 89 -9.970 2.790 5.308 695 HD21 ASN 89 1HD2 ASN 89 -10.069 -0.320 7.021 696 HD22 ASN 89 2HD2 ASN 89 -11.202 0.188 8.223 697 H SER 90 H SER 90 -11.519 2.257 2.815 698 HA SER 90 HA SER 90 -9.634 2.019 0.647 699 HB2 SER 90 1HB SER 90 -12.102 3.762 0.828 700 HB3 SER 90 2HB SER 90 -11.232 3.316 -0.640 701 HG SER 90 HG SER 90 -13.206 2.012 0.529 702 H LEU 91 H LEU 91 -8.693 3.863 -0.451 703 HA LEU 91 HA LEU 91 -7.423 5.648 1.379 704 HB2 LEU 91 1HB LEU 91 -7.345 5.236 -1.580 705 HB3 LEU 91 2HB LEU 91 -6.605 6.671 -0.873 706 HG LEU 91 HG LEU 91 -5.862 3.912 0.050 707 HD11 LEU 91 1HD1 LEU 91 -5.578 4.054 -2.410 708 HD12 LEU 91 2HD1 LEU 91 -4.059 3.870 -1.533 709 HD13 LEU 91 3HD1 LEU 91 -4.523 5.448 -2.171 710 HD21 LEU 91 1HD2 LEU 91 -4.176 6.393 -0.037 711 HD22 LEU 91 2HD2 LEU 91 -3.961 4.942 0.942 712 HD23 LEU 91 3HD2 LEU 91 -5.273 6.064 1.305 713 H ALA 92 H ALA 92 -9.403 6.320 -1.515 714 HA ALA 92 HA ALA 92 -9.784 8.980 -1.326 715 HB1 ALA 92 1HB ALA 92 -11.133 8.487 -3.016 716 HB2 ALA 92 2HB ALA 92 -11.224 6.804 -2.497 717 HB3 ALA 92 3HB ALA 92 -12.363 7.988 -1.855 718 H TYR 93 H TYR 93 -11.716 6.572 0.450 719 HA TYR 93 HA TYR 93 -13.486 8.162 1.771 720 HB2 TYR 93 1HB TYR 93 -13.504 5.752 2.028 721 HB3 TYR 93 2HB TYR 93 -11.966 5.795 2.881 722 HD1 TYR 93 1HD TYR 93 -11.851 6.730 5.175 723 HD2 TYR 93 2HD TYR 93 -15.559 6.209 3.155 724 HE1 TYR 93 1HE TYR 93 -13.040 6.935 7.318 725 HE2 TYR 93 2HE TYR 93 -16.758 6.414 5.293 726 HH TYR 93 HH TYR 93 -16.083 5.973 7.831 727 H TYR 94 H TYR 94 -10.101 7.608 2.634 728 HA TYR 94 HA TYR 94 -10.188 9.154 5.024 729 HB2 TYR 94 1HB TYR 94 -7.900 8.186 3.308 730 HB3 TYR 94 2HB TYR 94 -7.666 9.082 4.805 731 HD1 TYR 94 2HD TYR 94 -9.462 7.989 6.701 732 HD2 TYR 94 1HD TYR 94 -7.385 5.960 3.591 733 HE1 TYR 94 2HE TYR 94 -9.604 5.893 7.981 734 HE2 TYR 94 1HE TYR 94 -7.522 3.859 4.861 735 HH TYR 94 HH TYR 94 -9.253 3.690 7.950 736 H ASN 95 H ASN 95 -9.714 9.884 1.666 737 HA ASN 95 HA ASN 95 -9.487 11.843 0.532 738 HB2 ASN 95 1HB ASN 95 -10.350 12.997 3.192 739 HB3 ASN 95 2HB ASN 95 -10.187 13.940 1.714 740 HD21 ASN 95 1HD2 ASN 95 -11.807 11.091 3.038 741 HD22 ASN 95 2HD2 ASN 95 -13.256 11.270 2.113 742 H MET 96 H MET 96 -7.139 10.822 1.154 743 HA MET 96 HA MET 96 -5.451 12.439 2.754 744 HB2 MET 96 1HB MET 96 -4.750 10.561 0.490 745 HB3 MET 96 2HB MET 96 -3.603 11.235 1.641 746 HG2 MET 96 1HG MET 96 -4.901 10.117 3.460 747 HG3 MET 96 2HG MET 96 -5.844 9.315 2.206 748 HE1 MET 96 1HE MET 96 -3.250 6.937 4.113 749 HE2 MET 96 2HE MET 96 -4.680 7.931 4.390 750 HE3 MET 96 3HE MET 96 -4.750 6.582 3.256 751 H ALA 97 H ALA 97 -3.309 13.250 1.503 752 HA ALA 97 HA ALA 97 -4.094 14.839 -0.828 753 HB1 ALA 97 1HB ALA 97 -3.074 15.940 1.772 754 HB2 ALA 97 2HB ALA 97 -2.906 16.819 0.252 755 HB3 ALA 97 3HB ALA 97 -4.510 16.410 0.863 756 H SER 98 H SER 98 -2.396 15.432 -2.183 757 HA SER 98 HA SER 98 -0.298 13.691 -2.499 758 HB2 SER 98 1HB SER 98 0.633 15.243 -4.073 759 HB3 SER 98 2HB SER 98 -1.121 15.398 -4.168 760 HG SER 98 HG SER 98 -0.227 17.445 -4.072 761 H GLY 99 H GLY 99 2.102 14.371 -2.490 762 HA2 GLY 99 1HA GLY 99 3.950 14.647 -1.147 763 HA3 GLY 99 2HA GLY 99 3.226 16.207 -0.787 764 H ALA 100 H ALA 100 1.850 13.077 0.051 765 HA ALA 100 HA ALA 100 1.706 13.885 2.827 766 HB1 ALA 100 1HB ALA 100 -0.239 12.819 2.373 767 HB2 ALA 100 2HB ALA 100 0.491 11.769 1.157 768 HB3 ALA 100 3HB ALA 100 0.697 11.409 2.872 769 H VAL 101 H VAL 101 2.121 11.972 4.448 770 HA VAL 101 HA VAL 101 4.587 10.544 3.781 771 HB VAL 101 HB VAL 101 5.384 12.587 4.808 772 HG11 VAL 101 1HG1 VAL 101 3.036 12.423 6.319 773 HG12 VAL 101 2HG1 VAL 101 4.358 12.247 7.474 774 HG13 VAL 101 3HG1 VAL 101 4.290 13.659 6.418 775 HG21 VAL 101 1HG2 VAL 101 5.583 10.032 6.324 776 HG22 VAL 101 2HG2 VAL 101 6.820 10.907 5.423 777 HG23 VAL 101 3HG2 VAL 101 6.310 11.485 7.010 778 H ILE 102 H ILE 102 4.239 8.483 4.244 779 HA ILE 102 HA ILE 102 2.309 7.777 6.327 780 HB ILE 102 HB ILE 102 3.647 6.010 4.274 781 HG12 ILE 102 1HG1 ILE 102 2.064 7.747 3.372 782 HG13 ILE 102 2HG1 ILE 102 1.588 6.083 3.047 783 HG21 ILE 102 1HG2 ILE 102 2.283 4.255 4.990 784 HG22 ILE 102 2HG2 ILE 102 2.845 4.998 6.487 785 HG23 ILE 102 3HG2 ILE 102 1.218 5.330 5.895 786 HD11 ILE 102 1HD1 ILE 102 -0.053 7.992 4.025 787 HD12 ILE 102 2HD1 ILE 102 -0.288 6.259 4.254 788 HD13 ILE 102 3HD1 ILE 102 0.488 7.218 5.515 789 H HIS 103 H HIS 103 3.189 7.661 8.295 790 HA HIS 103 HA HIS 103 5.924 6.933 8.737 791 HB2 HIS 103 1HB HIS 103 3.653 7.272 10.706 792 HB3 HIS 103 2HB HIS 103 5.356 7.125 11.128 793 HD1 HIS 103 1HD HIS 103 6.411 9.301 11.592 794 HD2 HIS 103 2HD HIS 103 3.329 9.650 8.827 795 HE1 HIS 103 1HE HIS 103 6.274 11.751 11.043 796 HE2 HIS 103 2HE HIS 103 4.347 11.949 9.433 797 H LEU 104 H LEU 104 6.754 4.973 9.052 798 HA LEU 104 HA LEU 104 4.987 2.676 9.053 799 HB2 LEU 104 1HB LEU 104 7.129 2.902 7.698 800 HB3 LEU 104 2HB LEU 104 7.988 2.643 9.215 801 HG LEU 104 HG LEU 104 6.925 0.432 9.417 802 HD11 LEU 104 1HD1 LEU 104 5.872 -0.424 7.232 803 HD12 LEU 104 2HD1 LEU 104 5.621 1.280 6.858 804 HD13 LEU 104 3HD1 LEU 104 4.891 0.578 8.302 805 HD21 LEU 104 1HD2 LEU 104 8.051 0.295 6.703 806 HD22 LEU 104 2HD2 LEU 104 8.534 -0.541 8.179 807 HD23 LEU 104 3HD2 LEU 104 9.052 1.122 7.897 808 H ALA 105 H ALA 105 4.639 1.294 10.715 809 HA ALA 105 HA ALA 105 6.167 1.655 13.191 810 HB1 ALA 105 1HB ALA 105 3.610 2.685 12.868 811 HB2 ALA 105 2HB ALA 105 3.372 1.186 13.766 812 HB3 ALA 105 3HB ALA 105 4.460 2.425 14.391 813 H LEU 106 H LEU 106 5.374 -0.107 14.836 814 HA LEU 106 HA LEU 106 5.185 -2.646 13.353 815 HB2 LEU 106 1HB LEU 106 7.285 -2.660 14.347 816 HB3 LEU 106 2HB LEU 106 6.705 -1.862 15.807 817 HG LEU 106 HG LEU 106 5.539 -3.955 16.436 818 HD11 LEU 106 1HD1 LEU 106 5.175 -5.491 14.879 819 HD12 LEU 106 2HD1 LEU 106 6.902 -5.849 14.895 820 HD13 LEU 106 3HD1 LEU 106 6.256 -4.676 13.748 821 HD21 LEU 106 1HD2 LEU 106 7.891 -3.344 17.147 822 HD22 LEU 106 2HD2 LEU 106 8.456 -4.473 15.916 823 HD23 LEU 106 3HD2 LEU 106 7.463 -5.051 17.254 824 H LYS 107 H LYS 107 3.294 -3.620 13.578 825 HA LYS 107 HA LYS 107 1.284 -2.883 15.359 826 HB2 LYS 107 1HB LYS 107 0.974 -4.197 13.254 827 HB3 LYS 107 2HB LYS 107 1.633 -5.601 14.084 828 HG2 LYS 107 1HG LYS 107 -0.235 -5.255 15.787 829 HG3 LYS 107 2HG LYS 107 -0.951 -4.170 14.593 830 HD2 LYS 107 1HD LYS 107 -0.975 -5.983 12.955 831 HD3 LYS 107 2HD LYS 107 -0.238 -7.068 14.136 832 HE2 LYS 107 1HE LYS 107 -2.548 -7.547 14.171 833 HE3 LYS 107 2HE LYS 107 -2.233 -6.590 15.618 834 HZ1 LYS 107 1HZ LYS 107 -3.135 -5.299 13.123 835 HZ2 LYS 107 2HZ LYS 107 -3.260 -4.737 14.714 836 HZ3 LYS 107 3HZ LYS 107 -4.252 -6.001 14.183 837 H GLU 108 H GLU 108 0.827 -3.370 17.417 838 HA GLU 108 HA GLU 108 2.573 -4.268 19.261 839 HB2 GLU 108 1HB GLU 108 0.321 -3.335 19.751 840 HB3 GLU 108 2HB GLU 108 -0.384 -4.890 19.332 841 HG2 GLU 108 1HG GLU 108 1.203 -5.823 21.151 842 HG3 GLU 108 2HG GLU 108 1.281 -4.148 21.696 843 H ARG 109 H ARG 109 3.434 -6.141 19.953 844 HA ARG 109 HA ARG 109 3.075 -8.491 18.342 845 HB2 ARG 109 1HB ARG 109 4.721 -8.012 20.832 846 HB3 ARG 109 2HB ARG 109 4.772 -9.482 19.868 847 HG2 ARG 109 1HG ARG 109 5.399 -6.763 18.752 848 HG3 ARG 109 2HG ARG 109 6.617 -7.834 19.449 849 HD2 ARG 109 1HD ARG 109 5.889 -9.581 17.811 850 HD3 ARG 109 2HD ARG 109 4.869 -8.360 17.052 851 HE ARG 109 HE ARG 109 6.738 -7.429 16.103 852 HH11 ARG 109 2HH1 ARG 109 7.695 -9.665 18.593 853 HH12 ARG 109 1HH1 ARG 109 9.377 -9.607 18.181 854 HH21 ARG 109 2HH2 ARG 109 8.949 -7.343 15.551 855 HH22 ARG 109 1HH2 ARG 109 10.089 -8.284 16.451 856 H SER 110 H SER 110 2.858 -10.667 19.489 857 HA SER 110 HA SER 110 0.688 -10.483 21.476 858 HB2 SER 110 1HB SER 110 0.182 -11.372 19.090 859 HB3 SER 110 2HB SER 110 1.033 -12.824 19.617 860 HG SER 110 HG SER 110 -1.388 -12.594 19.949 861 H GLY 111 H GLY 111 3.220 -12.700 20.285 862 HA2 GLY 111 1HA GLY 111 4.065 -13.211 23.013 863 HA3 GLY 111 2HA GLY 111 3.352 -14.589 22.188 864 HA PRO 112 HA PRO 112 7.504 -13.380 19.952 865 HB2 PRO 112 1HB PRO 112 9.253 -12.015 21.516 866 HB3 PRO 112 2HB PRO 112 8.089 -11.216 20.453 867 HG2 PRO 112 1HG PRO 112 7.929 -11.715 23.400 868 HG3 PRO 112 2HG PRO 112 7.504 -10.255 22.488 869 HD2 PRO 112 1HD PRO 112 5.647 -12.028 23.346 870 HD3 PRO 112 2HD PRO 112 5.458 -11.099 21.845 871 H SER 113 H SER 113 7.913 -15.565 20.150 872 HA SER 113 HA SER 113 9.296 -16.468 22.581 873 HB2 SER 113 1HB SER 113 7.276 -17.740 21.919 874 HB3 SER 113 2HB SER 113 8.041 -18.123 20.376 875 HG SER 113 HG SER 113 9.605 -18.727 22.535 876 H SER 114 H SER 114 11.430 -16.561 22.488 877 HA SER 114 HA SER 114 12.774 -17.732 20.224 878 HB2 SER 114 1HB SER 114 14.265 -15.778 19.840 879 HB3 SER 114 2HB SER 114 12.585 -15.444 19.419 880 HG SER 114 HG SER 114 12.721 -13.842 20.756 881 H GLY 115 H GLY 115 15.081 -18.055 20.622 882 HA2 GLY 115 1HA GLY 115 16.946 -18.339 21.984 883 HA3 GLY 115 2HA GLY 115 16.082 -17.540 23.289 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -12.985 33.790 10.651 2 HA2 GLY 1 1HA GLY 1 -10.719 33.672 9.070 3 HA3 GLY 1 2HA GLY 1 -10.538 35.120 10.050 4 H SER 2 H SER 2 -10.585 31.650 10.030 5 HA SER 2 HA SER 2 -9.475 31.673 12.753 6 HB2 SER 2 1HB SER 2 -11.665 30.863 13.129 7 HB3 SER 2 2HB SER 2 -11.644 29.885 11.662 8 HG SER 2 HG SER 2 -11.126 29.023 14.014 9 H SER 3 H SER 3 -7.792 30.289 13.124 10 HA SER 3 HA SER 3 -6.903 28.653 10.839 11 HB2 SER 3 1HB SER 3 -5.544 30.744 11.204 12 HB3 SER 3 2HB SER 3 -5.075 30.091 12.774 13 HG SER 3 HG SER 3 -3.546 29.164 11.669 14 H GLY 4 H GLY 4 -7.196 26.592 11.391 15 HA2 GLY 4 1HA GLY 4 -6.171 24.746 12.626 16 HA3 GLY 4 2HA GLY 4 -6.270 25.748 14.067 17 H SER 5 H SER 5 -7.561 23.122 12.703 18 HA SER 5 HA SER 5 -10.296 23.661 13.634 19 HB2 SER 5 1HB SER 5 -11.000 21.771 12.299 20 HB3 SER 5 2HB SER 5 -10.000 22.821 11.296 21 HG SER 5 HG SER 5 -8.275 21.401 11.607 22 H SER 6 H SER 6 -11.144 22.605 15.335 23 HA SER 6 HA SER 6 -9.598 21.464 17.296 24 HB2 SER 6 1HB SER 6 -11.699 20.552 18.235 25 HB3 SER 6 2HB SER 6 -11.888 22.221 17.699 26 HG SER 6 HG SER 6 -13.150 21.584 16.089 27 H GLY 7 H GLY 7 -11.415 19.789 14.743 28 HA2 GLY 7 1HA GLY 7 -9.587 17.520 15.017 29 HA3 GLY 7 2HA GLY 7 -11.303 17.203 15.231 30 H THR 8 H THR 8 -8.882 17.005 13.066 31 HA THR 8 HA THR 8 -10.170 17.953 10.694 32 HB THR 8 HB THR 8 -8.367 16.302 9.654 33 HG1 THR 8 1HG THR 8 -7.289 15.350 11.206 34 HG21 THR 8 1HG2 THR 8 -8.501 18.996 10.140 35 HG22 THR 8 2HG2 THR 8 -7.225 18.190 9.226 36 HG23 THR 8 3HG2 THR 8 -6.994 18.546 10.938 37 H GLU 9 H GLU 9 -9.695 14.755 12.161 38 HA GLU 9 HA GLU 9 -11.249 13.456 10.098 39 HB2 GLU 9 1HB GLU 9 -9.266 12.419 11.301 40 HB3 GLU 9 2HB GLU 9 -10.315 12.254 12.702 41 HG2 GLU 9 1HG GLU 9 -11.894 11.020 11.058 42 HG3 GLU 9 2HG GLU 9 -10.443 10.852 10.071 43 H ASP 10 H ASP 10 -12.647 15.491 11.500 44 HA ASP 10 HA ASP 10 -14.564 13.976 13.132 45 HB2 ASP 10 1HB ASP 10 -13.748 16.843 13.026 46 HB3 ASP 10 2HB ASP 10 -15.400 16.469 13.509 47 H SER 11 H SER 11 -14.434 16.363 10.499 48 HA SER 11 HA SER 11 -17.031 15.331 9.566 49 HB2 SER 11 1HB SER 11 -16.051 18.188 9.638 50 HB3 SER 11 2HB SER 11 -17.426 17.671 8.662 51 HG SER 11 HG SER 11 -17.162 17.771 11.459 52 H LEU 12 H LEU 12 -14.762 14.160 8.670 53 HA LEU 12 HA LEU 12 -13.440 15.232 6.494 54 HB2 LEU 12 1HB LEU 12 -14.202 12.434 7.234 55 HB3 LEU 12 2HB LEU 12 -13.378 12.761 5.711 56 HG LEU 12 HG LEU 12 -12.227 13.667 8.330 57 HD11 LEU 12 1HD1 LEU 12 -12.092 11.513 8.927 58 HD12 LEU 12 2HD1 LEU 12 -10.817 11.425 7.712 59 HD13 LEU 12 3HD1 LEU 12 -12.460 10.935 7.301 60 HD21 LEU 12 1HD2 LEU 12 -10.248 13.924 7.159 61 HD22 LEU 12 2HD2 LEU 12 -11.455 14.428 5.975 62 HD23 LEU 12 3HD2 LEU 12 -10.741 12.817 5.877 63 H MET 13 H MET 13 -13.683 14.587 4.177 64 HA MET 13 HA MET 13 -16.425 15.094 3.346 65 HB2 MET 13 1HB MET 13 -15.516 16.134 1.581 66 HB3 MET 13 2HB MET 13 -13.974 15.956 2.408 67 HG2 MET 13 1HG MET 13 -13.629 13.817 1.231 68 HG3 MET 13 2HG MET 13 -15.132 14.088 0.354 69 HE1 MET 13 1HE MET 13 -13.731 17.498 0.900 70 HE2 MET 13 2HE MET 13 -12.330 16.580 1.451 71 HE3 MET 13 3HE MET 13 -12.221 17.565 -0.009 72 HA PRO 14 HA PRO 14 -17.417 11.096 1.838 73 HB2 PRO 14 1HB PRO 14 -18.430 11.553 -0.639 74 HB3 PRO 14 2HB PRO 14 -19.284 11.993 0.844 75 HG2 PRO 14 1HG PRO 14 -17.649 13.712 -0.981 76 HG3 PRO 14 2HG PRO 14 -19.205 14.065 -0.208 77 HD2 PRO 14 1HD PRO 14 -16.855 15.007 0.752 78 HD3 PRO 14 2HD PRO 14 -18.224 14.605 1.807 79 H GLU 15 H GLU 15 -17.365 9.862 -0.535 80 HA GLU 15 HA GLU 15 -14.505 9.804 -1.182 81 HB2 GLU 15 1HB GLU 15 -15.809 7.738 -0.362 82 HB3 GLU 15 2HB GLU 15 -16.516 7.711 -1.971 83 HG2 GLU 15 1HG GLU 15 -14.083 7.737 -2.806 84 HG3 GLU 15 2HG GLU 15 -13.674 7.263 -1.159 85 H GLU 16 H GLU 16 -17.676 9.588 -2.788 86 HA GLU 16 HA GLU 16 -16.892 9.598 -5.417 87 HB2 GLU 16 1HB GLU 16 -19.262 10.949 -4.126 88 HB3 GLU 16 2HB GLU 16 -19.058 10.821 -5.867 89 HG2 GLU 16 1HG GLU 16 -19.093 8.434 -4.045 90 HG3 GLU 16 2HG GLU 16 -20.543 9.100 -4.794 91 H GLU 17 H GLU 17 -17.840 12.545 -3.639 92 HA GLU 17 HA GLU 17 -16.994 14.385 -5.529 93 HB2 GLU 17 1HB GLU 17 -16.929 14.751 -2.529 94 HB3 GLU 17 2HB GLU 17 -16.987 16.029 -3.735 95 HG2 GLU 17 1HG GLU 17 -19.136 13.970 -3.293 96 HG3 GLU 17 2HG GLU 17 -19.160 15.619 -2.669 97 H PHE 18 H PHE 18 -15.189 13.114 -2.740 98 HA PHE 18 HA PHE 18 -12.883 14.466 -2.757 99 HB2 PHE 18 1HB PHE 18 -13.275 12.515 -1.323 100 HB3 PHE 18 2HB PHE 18 -13.074 11.447 -2.708 101 HD1 PHE 18 2HD PHE 18 -11.211 14.223 -1.044 102 HD2 PHE 18 1HD PHE 18 -11.054 10.392 -2.892 103 HE1 PHE 18 2HE PHE 18 -8.793 14.111 -0.599 104 HE2 PHE 18 1HE PHE 18 -8.637 10.273 -2.450 105 HZ PHE 18 HZ PHE 18 -7.503 12.135 -1.303 106 H LEU 19 H LEU 19 -13.315 11.614 -4.859 107 HA LEU 19 HA LEU 19 -11.012 11.806 -6.335 108 HB2 LEU 19 1HB LEU 19 -13.728 11.029 -7.388 109 HB3 LEU 19 2HB LEU 19 -12.176 10.609 -8.109 110 HG LEU 19 HG LEU 19 -13.097 9.680 -5.391 111 HD11 LEU 19 1HD1 LEU 19 -12.915 7.537 -7.196 112 HD12 LEU 19 2HD1 LEU 19 -13.858 8.789 -8.003 113 HD13 LEU 19 3HD1 LEU 19 -14.363 8.185 -6.425 114 HD21 LEU 19 1HD2 LEU 19 -10.588 9.861 -6.063 115 HD22 LEU 19 2HD2 LEU 19 -10.938 8.437 -7.042 116 HD23 LEU 19 3HD2 LEU 19 -11.186 8.390 -5.295 117 H ARG 20 H ARG 20 -13.995 13.628 -6.723 118 HA ARG 20 HA ARG 20 -13.402 14.811 -9.209 119 HB2 ARG 20 1HB ARG 20 -15.045 16.037 -6.990 120 HB3 ARG 20 2HB ARG 20 -15.160 16.375 -8.712 121 HG2 ARG 20 1HG ARG 20 -15.777 13.709 -7.459 122 HG3 ARG 20 2HG ARG 20 -16.981 14.941 -7.846 123 HD2 ARG 20 1HD ARG 20 -15.114 14.072 -9.991 124 HD3 ARG 20 2HD ARG 20 -16.407 12.970 -9.518 125 HE ARG 20 HE ARG 20 -16.684 15.497 -10.902 126 HH11 ARG 20 2HH1 ARG 20 -18.258 12.970 -9.098 127 HH12 ARG 20 1HH1 ARG 20 -19.837 13.338 -9.708 128 HH21 ARG 20 2HH2 ARG 20 -18.757 15.992 -11.713 129 HH22 ARG 20 1HH2 ARG 20 -20.120 15.057 -11.196 130 H ARG 21 H ARG 21 -12.594 15.705 -5.903 131 HA ARG 21 HA ARG 21 -11.536 18.271 -6.558 132 HB2 ARG 21 1HB ARG 21 -11.552 16.511 -4.153 133 HB3 ARG 21 2HB ARG 21 -10.353 17.795 -4.224 134 HG2 ARG 21 1HG ARG 21 -12.027 19.471 -4.351 135 HG3 ARG 21 2HG ARG 21 -13.295 18.271 -4.610 136 HD2 ARG 21 1HD ARG 21 -12.501 17.345 -2.307 137 HD3 ARG 21 2HD ARG 21 -11.807 18.953 -2.109 138 HE ARG 21 HE ARG 21 -14.598 18.243 -2.047 139 HH11 ARG 21 2HH1 ARG 21 -12.287 20.800 -2.539 140 HH12 ARG 21 1HH1 ARG 21 -13.406 22.063 -2.147 141 HH21 ARG 21 2HH2 ARG 21 -16.080 19.897 -1.529 142 HH22 ARG 21 1HH2 ARG 21 -15.563 21.549 -1.573 143 H ASN 22 H ASN 22 -10.067 15.104 -5.896 144 HA ASN 22 HA ASN 22 -7.694 15.981 -7.381 145 HB2 ASN 22 1HB ASN 22 -6.411 14.511 -5.614 146 HB3 ASN 22 2HB ASN 22 -6.787 16.196 -5.266 147 HD21 ASN 22 1HD2 ASN 22 -8.610 13.154 -5.121 148 HD22 ASN 22 2HD2 ASN 22 -9.135 13.351 -3.487 149 H LYS 23 H LYS 23 -6.585 14.348 -8.478 150 HA LYS 23 HA LYS 23 -7.962 11.743 -8.567 151 HB2 LYS 23 1HB LYS 23 -6.932 13.484 -10.784 152 HB3 LYS 23 2HB LYS 23 -7.049 11.743 -11.007 153 HG2 LYS 23 1HG LYS 23 -9.370 11.752 -10.835 154 HG3 LYS 23 2HG LYS 23 -9.399 13.339 -10.062 155 HD2 LYS 23 1HD LYS 23 -8.751 14.407 -12.122 156 HD3 LYS 23 2HD LYS 23 -8.533 12.842 -12.909 157 HE2 LYS 23 1HE LYS 23 -11.157 13.802 -11.780 158 HE3 LYS 23 2HE LYS 23 -10.676 14.024 -13.462 159 HZ1 LYS 23 1HZ LYS 23 -11.289 11.517 -12.034 160 HZ2 LYS 23 2HZ LYS 23 -10.332 11.499 -13.428 161 HZ3 LYS 23 3HZ LYS 23 -11.917 12.086 -13.498 162 H GLY 24 H GLY 24 -4.898 13.466 -8.892 163 HA2 GLY 24 1HA GLY 24 -2.944 12.522 -7.798 164 HA3 GLY 24 2HA GLY 24 -3.523 10.930 -8.268 165 HA PRO 25 HA PRO 25 -1.994 9.687 -8.510 166 HB2 PRO 25 1HB PRO 25 0.683 9.246 -8.617 167 HB3 PRO 25 2HB PRO 25 -0.451 8.563 -9.788 168 HG2 PRO 25 1HG PRO 25 1.300 10.978 -10.034 169 HG3 PRO 25 2HG PRO 25 0.977 9.704 -11.225 170 HD2 PRO 25 1HD PRO 25 -0.244 12.119 -11.307 171 HD3 PRO 25 2HD PRO 25 -1.039 10.628 -11.852 172 H VAL 26 H VAL 26 -1.123 9.524 -6.386 173 HA VAL 26 HA VAL 26 -0.158 12.096 -5.331 174 HB VAL 26 HB VAL 26 -0.991 11.328 -3.139 175 HG11 VAL 26 1HG1 VAL 26 -2.443 12.697 -4.482 176 HG12 VAL 26 2HG1 VAL 26 -3.001 11.289 -5.386 177 HG13 VAL 26 3HG1 VAL 26 -3.409 11.460 -3.678 178 HG21 VAL 26 1HG2 VAL 26 -2.413 9.339 -3.004 179 HG22 VAL 26 2HG2 VAL 26 -2.048 8.964 -4.688 180 HG23 VAL 26 3HG2 VAL 26 -0.766 8.924 -3.478 181 H SER 27 H SER 27 1.775 12.237 -4.370 182 HA SER 27 HA SER 27 3.413 9.823 -4.241 183 HB2 SER 27 1HB SER 27 4.497 11.609 -5.381 184 HB3 SER 27 2HB SER 27 4.069 12.768 -4.122 185 HG SER 27 HG SER 27 6.200 12.182 -3.832 186 H ILE 28 H ILE 28 3.790 8.797 -2.398 187 HA ILE 28 HA ILE 28 3.436 10.271 0.131 188 HB ILE 28 HB ILE 28 2.662 8.203 1.177 189 HG12 ILE 28 1HG1 ILE 28 2.497 6.964 -1.564 190 HG13 ILE 28 2HG1 ILE 28 3.914 6.750 -0.542 191 HG21 ILE 28 1HG2 ILE 28 0.481 7.997 -0.081 192 HG22 ILE 28 2HG2 ILE 28 0.937 9.627 0.411 193 HG23 ILE 28 3HG2 ILE 28 1.159 9.117 -1.262 194 HD11 ILE 28 1HD1 ILE 28 1.104 5.842 -0.020 195 HD12 ILE 28 2HD1 ILE 28 2.556 4.859 -0.211 196 HD13 ILE 28 3HD1 ILE 28 2.353 5.864 1.224 197 H LYS 29 H LYS 29 4.907 9.918 1.758 198 HA LYS 29 HA LYS 29 7.319 8.427 0.976 199 HB2 LYS 29 1HB LYS 29 7.250 10.998 1.606 200 HB3 LYS 29 2HB LYS 29 7.313 10.367 3.247 201 HG2 LYS 29 1HG LYS 29 9.345 9.037 2.485 202 HG3 LYS 29 2HG LYS 29 9.340 10.073 1.055 203 HD2 LYS 29 1HD LYS 29 9.200 11.359 3.737 204 HD3 LYS 29 2HD LYS 29 10.745 10.691 3.207 205 HE2 LYS 29 1HE LYS 29 10.461 12.016 1.085 206 HE3 LYS 29 2HE LYS 29 9.086 12.809 1.852 207 HZ1 LYS 29 1HZ LYS 29 11.788 13.451 2.090 208 HZ2 LYS 29 2HZ LYS 29 11.280 12.892 3.603 209 HZ3 LYS 29 3HZ LYS 29 10.474 14.183 2.865 210 H VAL 30 H VAL 30 7.626 6.539 1.938 211 HA VAL 30 HA VAL 30 6.201 5.915 4.403 212 HB VAL 30 HB VAL 30 7.868 4.154 2.600 213 HG11 VAL 30 1HG1 VAL 30 6.391 2.429 4.020 214 HG12 VAL 30 2HG1 VAL 30 8.010 2.937 4.505 215 HG13 VAL 30 3HG1 VAL 30 6.592 3.699 5.228 216 HG21 VAL 30 1HG2 VAL 30 6.015 4.407 1.325 217 HG22 VAL 30 2HG2 VAL 30 5.373 3.182 2.420 218 HG23 VAL 30 3HG2 VAL 30 5.007 4.886 2.691 219 H GLN 31 H GLN 31 7.184 6.559 6.213 220 HA GLN 31 HA GLN 31 10.018 6.835 6.440 221 HB2 GLN 31 1HB GLN 31 8.147 8.124 7.689 222 HB3 GLN 31 2HB GLN 31 8.140 6.747 8.783 223 HG2 GLN 31 1HG GLN 31 10.583 8.382 8.148 224 HG3 GLN 31 2HG GLN 31 9.533 8.661 9.536 225 HE21 GLN 31 1HE2 GLN 31 12.403 7.589 8.942 226 HE22 GLN 31 2HE2 GLN 31 12.530 6.250 10.026 227 H VAL 32 H VAL 32 11.159 4.981 6.282 228 HA VAL 32 HA VAL 32 10.293 2.585 7.677 229 HB VAL 32 HB VAL 32 12.791 3.037 6.038 230 HG11 VAL 32 1HG1 VAL 32 13.047 0.676 6.012 231 HG12 VAL 32 2HG1 VAL 32 12.806 1.144 7.696 232 HG13 VAL 32 3HG1 VAL 32 11.478 0.431 6.779 233 HG21 VAL 32 1HG2 VAL 32 10.019 2.609 5.277 234 HG22 VAL 32 2HG2 VAL 32 11.399 3.096 4.293 235 HG23 VAL 32 3HG2 VAL 32 11.101 1.387 4.610 236 HA PRO 33 HA PRO 33 12.667 3.742 11.276 237 HB2 PRO 33 1HB PRO 33 12.060 1.522 12.715 238 HB3 PRO 33 2HB PRO 33 10.937 2.870 12.510 239 HG2 PRO 33 1HG PRO 33 11.043 0.256 11.057 240 HG3 PRO 33 2HG PRO 33 9.634 1.129 11.687 241 HD2 PRO 33 1HD PRO 33 10.336 1.191 9.073 242 HD3 PRO 33 2HD PRO 33 9.560 2.565 9.886 243 H ASN 34 H ASN 34 14.219 2.422 12.752 244 HA ASN 34 HA ASN 34 15.862 0.655 11.061 245 HB2 ASN 34 1HB ASN 34 17.219 2.522 11.158 246 HB3 ASN 34 2HB ASN 34 16.632 2.997 12.749 247 HD21 ASN 34 1HD2 ASN 34 18.666 0.705 11.033 248 HD22 ASN 34 2HD2 ASN 34 19.710 0.353 12.363 249 H MET 35 H MET 35 15.220 -1.283 11.903 250 HA MET 35 HA MET 35 15.135 -1.678 14.775 251 HB2 MET 35 1HB MET 35 14.356 -3.259 12.376 252 HB3 MET 35 2HB MET 35 14.744 -4.148 13.843 253 HG2 MET 35 1HG MET 35 12.718 -1.930 13.698 254 HG3 MET 35 2HG MET 35 12.332 -3.643 13.548 255 HE1 MET 35 1HE MET 35 11.292 -1.330 15.925 256 HE2 MET 35 2HE MET 35 10.576 -2.856 15.407 257 HE3 MET 35 3HE MET 35 10.991 -2.607 17.103 258 H GLN 36 H GLN 36 17.185 -1.589 15.583 259 HA GLN 36 HA GLN 36 19.321 -3.095 14.318 260 HB2 GLN 36 1HB GLN 36 20.488 -2.190 16.542 261 HB3 GLN 36 2HB GLN 36 20.277 -1.187 15.113 262 HG2 GLN 36 1HG GLN 36 18.602 0.059 16.063 263 HG3 GLN 36 2HG GLN 36 18.143 -1.218 17.187 264 HE21 GLN 36 1HE2 GLN 36 20.728 1.070 16.445 265 HE22 GLN 36 2HE2 GLN 36 21.236 1.300 18.080 266 H ASP 37 H ASP 37 17.427 -3.161 17.300 267 HA ASP 37 HA ASP 37 18.716 -5.108 18.736 268 HB2 ASP 37 1HB ASP 37 16.734 -3.884 19.542 269 HB3 ASP 37 2HB ASP 37 15.721 -4.803 18.432 270 H LYS 38 H LYS 38 15.859 -5.860 16.743 271 HA LYS 38 HA LYS 38 17.066 -7.940 15.281 272 HB2 LYS 38 1HB LYS 38 16.156 -9.901 16.352 273 HB3 LYS 38 2HB LYS 38 17.120 -9.012 17.523 274 HG2 LYS 38 1HG LYS 38 15.316 -9.440 18.818 275 HG3 LYS 38 2HG LYS 38 14.755 -7.939 18.078 276 HD2 LYS 38 1HD LYS 38 13.473 -9.164 16.448 277 HD3 LYS 38 2HD LYS 38 14.137 -10.696 17.021 278 HE2 LYS 38 1HE LYS 38 11.980 -10.524 17.966 279 HE3 LYS 38 2HE LYS 38 13.111 -10.152 19.266 280 HZ1 LYS 38 1HZ LYS 38 11.031 -8.653 18.806 281 HZ2 LYS 38 2HZ LYS 38 12.058 -7.933 17.672 282 HZ3 LYS 38 3HZ LYS 38 12.498 -7.974 19.305 283 H THR 39 H THR 39 15.754 -8.617 13.646 284 HA THR 39 HA THR 39 12.939 -8.632 13.705 285 HB THR 39 HB THR 39 13.258 -6.163 13.765 286 HG1 THR 39 1HG THR 39 12.166 -6.951 11.265 287 HG21 THR 39 1HG2 THR 39 15.169 -5.654 12.564 288 HG22 THR 39 2HG2 THR 39 13.904 -5.227 11.412 289 HG23 THR 39 3HG2 THR 39 14.763 -6.758 11.251 290 H GLU 40 H GLU 40 11.991 -9.163 11.629 291 HA GLU 40 HA GLU 40 13.974 -10.351 9.809 292 HB2 GLU 40 1HB GLU 40 12.132 -11.854 9.096 293 HB3 GLU 40 2HB GLU 40 12.528 -12.008 10.802 294 HG2 GLU 40 1HG GLU 40 10.598 -10.752 11.434 295 HG3 GLU 40 2HG GLU 40 10.250 -10.347 9.754 296 H TRP 41 H TRP 41 13.469 -7.644 9.531 297 HA TRP 41 HA TRP 41 12.224 -7.607 6.885 298 HB2 TRP 41 1HB TRP 41 11.633 -5.468 8.935 299 HB3 TRP 41 2HB TRP 41 10.912 -5.656 7.339 300 HD1 TRP 41 HD TRP 41 9.932 -8.574 7.333 301 HE1 TRP 41 1HE TRP 41 8.094 -9.381 8.943 302 HE3 TRP 41 3HE TRP 41 10.356 -4.961 10.924 303 HZ2 TRP 41 2HZ TRP 41 6.972 -8.591 11.410 304 HZ3 TRP 41 3HZ TRP 41 8.863 -5.058 12.877 305 HH2 TRP 41 HH TRP 41 7.206 -6.836 13.113 306 H LYS 42 H LYS 42 12.602 -5.305 5.896 307 HA LYS 42 HA LYS 42 15.459 -4.773 6.196 308 HB2 LYS 42 1HB LYS 42 13.465 -3.996 4.066 309 HB3 LYS 42 2HB LYS 42 15.139 -3.460 4.071 310 HG2 LYS 42 1HG LYS 42 15.586 -6.062 4.263 311 HG3 LYS 42 2HG LYS 42 14.001 -6.135 3.491 312 HD2 LYS 42 1HD LYS 42 14.747 -5.142 1.558 313 HD3 LYS 42 2HD LYS 42 16.055 -4.284 2.377 314 HE2 LYS 42 1HE LYS 42 17.077 -5.964 1.059 315 HE3 LYS 42 2HE LYS 42 17.148 -6.529 2.727 316 HZ1 LYS 42 1HZ LYS 42 15.957 -8.310 2.210 317 HZ2 LYS 42 2HZ LYS 42 16.132 -7.897 0.579 318 HZ3 LYS 42 3HZ LYS 42 14.763 -7.394 1.437 319 H LEU 43 H LEU 43 15.059 -3.667 8.266 320 HA LEU 43 HA LEU 43 14.069 -0.919 7.882 321 HB2 LEU 43 1HB LEU 43 14.384 -2.333 10.516 322 HB3 LEU 43 2HB LEU 43 13.513 -0.837 10.186 323 HG LEU 43 HG LEU 43 12.692 -3.600 9.290 324 HD11 LEU 43 1HD1 LEU 43 12.201 -2.056 11.702 325 HD12 LEU 43 2HD1 LEU 43 11.892 -3.758 11.363 326 HD13 LEU 43 3HD1 LEU 43 10.714 -2.536 10.883 327 HD21 LEU 43 1HD2 LEU 43 10.515 -2.068 8.950 328 HD22 LEU 43 2HD2 LEU 43 11.687 -2.386 7.671 329 HD23 LEU 43 3HD2 LEU 43 11.772 -0.883 8.591 330 H ASN 44 H ASN 44 15.849 0.222 7.337 331 HA ASN 44 HA ASN 44 18.031 0.276 9.302 332 HB2 ASN 44 1HB ASN 44 18.282 0.008 6.310 333 HB3 ASN 44 2HB ASN 44 19.592 0.653 7.296 334 HD21 ASN 44 1HD2 ASN 44 19.936 -0.795 9.350 335 HD22 ASN 44 2HD2 ASN 44 20.107 -2.479 9.005 336 H GLY 45 H GLY 45 16.017 2.069 9.416 337 HA2 GLY 45 1HA GLY 45 15.471 4.304 9.274 338 HA3 GLY 45 2HA GLY 45 17.204 4.529 9.461 339 H GLN 46 H GLN 46 14.557 4.349 7.186 340 HA GLN 46 HA GLN 46 15.958 6.069 5.360 341 HB2 GLN 46 1HB GLN 46 15.832 4.573 3.424 342 HB3 GLN 46 2HB GLN 46 16.867 3.904 4.678 343 HG2 GLN 46 1HG GLN 46 14.861 2.554 5.423 344 HG3 GLN 46 2HG GLN 46 14.089 3.060 3.920 345 HE21 GLN 46 1HE2 GLN 46 14.113 0.601 3.817 346 HE22 GLN 46 2HE2 GLN 46 15.460 -0.112 3.003 347 H GLY 47 H GLY 47 14.476 6.008 3.158 348 HA2 GLY 47 1HA GLY 47 11.659 6.030 4.008 349 HA3 GLY 47 2HA GLY 47 12.356 7.478 3.297 350 H LEU 48 H LEU 48 10.285 5.249 2.538 351 HA LEU 48 HA LEU 48 11.300 4.845 -0.199 352 HB2 LEU 48 1HB LEU 48 9.203 3.223 1.231 353 HB3 LEU 48 2HB LEU 48 9.903 2.889 -0.351 354 HG LEU 48 HG LEU 48 11.415 2.798 2.259 355 HD11 LEU 48 1HD1 LEU 48 11.048 0.561 2.400 356 HD12 LEU 48 2HD1 LEU 48 10.845 0.369 0.659 357 HD13 LEU 48 3HD1 LEU 48 9.533 1.035 1.631 358 HD21 LEU 48 1HD2 LEU 48 12.327 1.556 -0.291 359 HD22 LEU 48 2HD2 LEU 48 13.270 2.143 1.079 360 HD23 LEU 48 3HD2 LEU 48 12.551 3.289 -0.054 361 H VAL 49 H VAL 49 10.358 6.081 -1.669 362 HA VAL 49 HA VAL 49 7.649 7.099 -1.149 363 HB VAL 49 HB VAL 49 9.702 8.120 -3.117 364 HG11 VAL 49 1HG1 VAL 49 7.006 8.449 -3.235 365 HG12 VAL 49 2HG1 VAL 49 7.488 9.851 -2.277 366 HG13 VAL 49 3HG1 VAL 49 8.186 9.592 -3.876 367 HG21 VAL 49 1HG2 VAL 49 8.936 9.842 -0.886 368 HG22 VAL 49 2HG2 VAL 49 9.778 8.374 -0.388 369 HG23 VAL 49 3HG2 VAL 49 10.533 9.476 -1.539 370 H PHE 50 H PHE 50 5.999 6.785 -2.575 371 HA PHE 50 HA PHE 50 6.560 5.374 -5.079 372 HB2 PHE 50 1HB PHE 50 4.305 4.467 -3.306 373 HB3 PHE 50 2HB PHE 50 5.027 3.632 -4.677 374 HD1 PHE 50 1HD PHE 50 7.512 2.936 -4.408 375 HD2 PHE 50 2HD PHE 50 4.935 3.900 -1.161 376 HE1 PHE 50 1HE PHE 50 8.980 1.690 -2.876 377 HE2 PHE 50 2HE PHE 50 6.399 2.657 0.376 378 HZ PHE 50 HZ PHE 50 8.426 1.550 -0.481 379 H THR 51 H THR 51 5.387 6.098 -6.747 380 HA THR 51 HA THR 51 3.322 8.102 -6.187 381 HB THR 51 HB THR 51 4.536 7.519 -8.884 382 HG1 THR 51 1HG THR 51 5.823 8.441 -6.769 383 HG21 THR 51 1HG2 THR 51 3.952 9.970 -9.184 384 HG22 THR 51 2HG2 THR 51 3.040 9.839 -7.680 385 HG23 THR 51 3HG2 THR 51 2.590 8.857 -9.073 386 H LEU 52 H LEU 52 1.402 7.100 -5.936 387 HA LEU 52 HA LEU 52 0.397 5.564 -8.217 388 HB2 LEU 52 1HB LEU 52 -0.093 4.691 -5.381 389 HB3 LEU 52 2HB LEU 52 -0.510 3.836 -6.865 390 HG LEU 52 HG LEU 52 2.137 3.889 -7.167 391 HD11 LEU 52 1HD1 LEU 52 3.041 4.846 -5.334 392 HD12 LEU 52 2HD1 LEU 52 2.840 3.227 -4.664 393 HD13 LEU 52 3HD1 LEU 52 1.647 4.478 -4.318 394 HD21 LEU 52 1HD2 LEU 52 2.137 1.642 -6.577 395 HD22 LEU 52 2HD2 LEU 52 0.444 1.956 -6.960 396 HD23 LEU 52 3HD2 LEU 52 0.969 1.880 -5.277 397 HA PRO 53 HA PRO 53 -3.082 8.221 -7.698 398 HB2 PRO 53 1HB PRO 53 -4.887 6.808 -9.152 399 HB3 PRO 53 2HB PRO 53 -3.578 7.739 -9.889 400 HG2 PRO 53 1HG PRO 53 -3.737 4.800 -9.345 401 HG3 PRO 53 2HG PRO 53 -3.136 5.640 -10.786 402 HD2 PRO 53 1HD PRO 53 -1.484 4.639 -8.888 403 HD3 PRO 53 2HD PRO 53 -1.093 6.098 -9.821 404 H LEU 54 H LEU 54 -5.334 8.183 -6.919 405 HA LEU 54 HA LEU 54 -5.639 6.197 -4.791 406 HB2 LEU 54 1HB LEU 54 -7.284 8.680 -5.181 407 HB3 LEU 54 2HB LEU 54 -7.081 7.727 -3.712 408 HG LEU 54 HG LEU 54 -4.687 9.065 -4.874 409 HD11 LEU 54 1HD1 LEU 54 -7.070 10.442 -3.812 410 HD12 LEU 54 2HD1 LEU 54 -5.815 11.019 -4.909 411 HD13 LEU 54 3HD1 LEU 54 -5.512 10.966 -3.173 412 HD21 LEU 54 1HD2 LEU 54 -3.950 8.061 -3.009 413 HD22 LEU 54 2HD2 LEU 54 -5.570 7.907 -2.330 414 HD23 LEU 54 3HD2 LEU 54 -4.691 9.429 -2.178 415 H THR 55 H THR 55 -6.400 4.478 -6.090 416 HA THR 55 HA THR 55 -9.194 4.815 -6.962 417 HB THR 55 HB THR 55 -8.646 2.936 -8.639 418 HG1 THR 55 1HG THR 55 -6.626 2.296 -8.278 419 HG21 THR 55 1HG2 THR 55 -7.173 5.316 -9.545 420 HG22 THR 55 2HG2 THR 55 -8.780 5.639 -8.892 421 HG23 THR 55 3HG2 THR 55 -8.584 4.521 -10.242 422 H ASP 56 H ASP 56 -6.722 2.477 -5.938 423 HA ASP 56 HA ASP 56 -8.811 0.631 -5.068 424 HB2 ASP 56 1HB ASP 56 -5.881 0.412 -5.589 425 HB3 ASP 56 2HB ASP 56 -6.607 -0.709 -4.439 426 H GLN 57 H GLN 57 -7.836 -0.624 -2.941 427 HA GLN 57 HA GLN 57 -8.173 1.313 -0.845 428 HB2 GLN 57 1HB GLN 57 -7.527 -1.626 -0.583 429 HB3 GLN 57 2HB GLN 57 -8.202 -0.577 0.656 430 HG2 GLN 57 1HG GLN 57 -10.174 -0.253 -0.912 431 HG3 GLN 57 2HG GLN 57 -9.521 -1.608 -1.830 432 HE21 GLN 57 1HE2 GLN 57 -11.883 -0.974 0.140 433 HE22 GLN 57 2HE2 GLN 57 -11.951 -2.411 1.096 434 H VAL 58 H VAL 58 -6.655 0.633 1.214 435 HA VAL 58 HA VAL 58 -4.160 1.817 0.660 436 HB VAL 58 HB VAL 58 -5.033 0.230 3.077 437 HG11 VAL 58 1HG1 VAL 58 -2.594 0.322 2.892 438 HG12 VAL 58 2HG1 VAL 58 -2.671 2.079 2.750 439 HG13 VAL 58 3HG1 VAL 58 -3.175 1.291 4.245 440 HG21 VAL 58 1HG2 VAL 58 -5.145 2.612 4.033 441 HG22 VAL 58 2HG2 VAL 58 -5.153 3.139 2.350 442 HG23 VAL 58 3HG2 VAL 58 -6.438 2.092 2.953 443 H SER 59 H SER 59 -5.246 -1.436 0.475 444 HA SER 59 HA SER 59 -3.007 -2.944 0.986 445 HB2 SER 59 1HB SER 59 -3.890 -4.558 -0.685 446 HB3 SER 59 2HB SER 59 -5.141 -3.963 0.407 447 HG SER 59 HG SER 59 -5.774 -2.509 -1.240 448 H VAL 60 H VAL 60 -3.891 -1.520 -2.162 449 HA VAL 60 HA VAL 60 -1.746 -2.286 -3.676 450 HB VAL 60 HB VAL 60 -2.029 -0.154 -4.951 451 HG11 VAL 60 1HG1 VAL 60 -4.703 -1.368 -4.318 452 HG12 VAL 60 2HG1 VAL 60 -4.110 -0.752 -5.861 453 HG13 VAL 60 3HG1 VAL 60 -3.458 -2.252 -5.200 454 HG21 VAL 60 1HG2 VAL 60 -2.817 1.629 -3.882 455 HG22 VAL 60 2HG2 VAL 60 -4.393 0.840 -3.822 456 HG23 VAL 60 3HG2 VAL 60 -3.262 0.653 -2.482 457 H ILE 61 H ILE 61 -1.765 -0.077 -1.029 458 HA ILE 61 HA ILE 61 0.814 1.075 -1.722 459 HB ILE 61 HB ILE 61 -0.927 1.488 0.712 460 HG12 ILE 61 1HG1 ILE 61 -0.966 3.852 -0.512 461 HG13 ILE 61 2HG1 ILE 61 -0.669 2.850 -1.929 462 HG21 ILE 61 1HG2 ILE 61 1.332 3.277 -0.084 463 HG22 ILE 61 2HG2 ILE 61 0.558 3.082 1.488 464 HG23 ILE 61 3HG2 ILE 61 1.639 1.831 0.877 465 HD11 ILE 61 1HD1 ILE 61 -2.717 1.528 -0.690 466 HD12 ILE 61 2HD1 ILE 61 -3.097 3.221 -0.372 467 HD13 ILE 61 3HD1 ILE 61 -2.882 2.662 -2.031 468 H LYS 62 H LYS 62 -0.567 -1.229 0.545 469 HA LYS 62 HA LYS 62 1.755 -1.552 2.144 470 HB2 LYS 62 1HB LYS 62 -0.615 -3.369 1.682 471 HB3 LYS 62 2HB LYS 62 0.635 -3.669 2.882 472 HG2 LYS 62 1HG LYS 62 0.031 -1.323 3.768 473 HG3 LYS 62 2HG LYS 62 -1.448 -1.524 2.825 474 HD2 LYS 62 1HD LYS 62 -2.224 -3.228 4.153 475 HD3 LYS 62 2HD LYS 62 -0.603 -3.731 4.639 476 HE2 LYS 62 1HE LYS 62 -0.493 -1.491 5.881 477 HE3 LYS 62 2HE LYS 62 -2.240 -1.426 5.651 478 HZ1 LYS 62 1HZ LYS 62 -2.569 -3.257 6.998 479 HZ2 LYS 62 2HZ LYS 62 -1.311 -2.455 7.795 480 HZ3 LYS 62 3HZ LYS 62 -0.979 -3.811 6.840 481 H VAL 63 H VAL 63 0.535 -3.181 -0.737 482 HA VAL 63 HA VAL 63 2.239 -5.361 -0.843 483 HB VAL 63 HB VAL 63 0.310 -4.782 -2.416 484 HG11 VAL 63 1HG1 VAL 63 0.757 -3.550 -4.389 485 HG12 VAL 63 2HG1 VAL 63 1.326 -2.558 -3.044 486 HG13 VAL 63 3HG1 VAL 63 2.481 -3.460 -4.027 487 HG21 VAL 63 1HG2 VAL 63 1.667 -6.778 -2.682 488 HG22 VAL 63 2HG2 VAL 63 1.287 -6.087 -4.259 489 HG23 VAL 63 3HG2 VAL 63 2.888 -5.856 -3.558 490 H LYS 64 H LYS 64 2.795 -2.039 -1.920 491 HA LYS 64 HA LYS 64 5.212 -2.368 -3.239 492 HB2 LYS 64 1HB LYS 64 4.470 -0.015 -1.494 493 HB3 LYS 64 2HB LYS 64 5.609 -0.017 -2.834 494 HG2 LYS 64 1HG LYS 64 2.815 -0.842 -3.394 495 HG3 LYS 64 2HG LYS 64 3.133 0.868 -3.093 496 HD2 LYS 64 1HD LYS 64 3.486 0.839 -5.342 497 HD3 LYS 64 2HD LYS 64 5.110 0.397 -4.810 498 HE2 LYS 64 1HE LYS 64 4.420 -2.006 -5.027 499 HE3 LYS 64 2HE LYS 64 2.926 -1.442 -5.775 500 HZ1 LYS 64 1HZ LYS 64 5.102 -2.053 -7.157 501 HZ2 LYS 64 2HZ LYS 64 5.398 -0.407 -6.903 502 HZ3 LYS 64 3HZ LYS 64 3.977 -0.901 -7.677 503 H ILE 65 H ILE 65 4.645 -1.725 0.212 504 HA ILE 65 HA ILE 65 7.263 -1.545 1.077 505 HB ILE 65 HB ILE 65 4.993 -2.858 2.577 506 HG12 ILE 65 1HG1 ILE 65 5.824 -0.004 2.935 507 HG13 ILE 65 2HG1 ILE 65 4.766 -0.427 1.594 508 HG21 ILE 65 1HG2 ILE 65 7.188 -1.343 3.894 509 HG22 ILE 65 2HG2 ILE 65 6.221 -2.688 4.498 510 HG23 ILE 65 3HG2 ILE 65 7.514 -2.984 3.335 511 HD11 ILE 65 1HD1 ILE 65 3.338 -1.586 3.409 512 HD12 ILE 65 2HD1 ILE 65 4.246 -0.567 4.527 513 HD13 ILE 65 3HD1 ILE 65 3.280 0.169 3.247 514 H HIS 66 H HIS 66 5.247 -4.483 0.944 515 HA HIS 66 HA HIS 66 7.225 -6.278 1.780 516 HB2 HIS 66 1HB HIS 66 4.845 -6.862 1.711 517 HB3 HIS 66 2HB HIS 66 4.865 -6.776 -0.048 518 HD1 HIS 66 1HD HIS 66 5.492 -8.863 -1.275 519 HD2 HIS 66 2HD HIS 66 6.436 -9.056 2.767 520 HE1 HIS 66 1HE HIS 66 6.225 -11.234 -0.868 521 HE2 HIS 66 2HE HIS 66 6.709 -11.349 1.602 522 H GLU 67 H GLU 67 6.436 -5.010 -1.405 523 HA GLU 67 HA GLU 67 7.963 -6.756 -2.965 524 HB2 GLU 67 1HB GLU 67 6.908 -3.994 -3.306 525 HB3 GLU 67 2HB GLU 67 8.149 -4.534 -4.427 526 HG2 GLU 67 1HG GLU 67 5.413 -5.672 -3.988 527 HG3 GLU 67 2HG GLU 67 6.105 -5.010 -5.467 528 H ALA 68 H ALA 68 8.853 -3.675 -1.442 529 HA ALA 68 HA ALA 68 11.591 -3.882 -2.333 530 HB1 ALA 68 1HB ALA 68 11.053 -1.673 -2.217 531 HB2 ALA 68 2HB ALA 68 9.985 -1.890 -0.830 532 HB3 ALA 68 3HB ALA 68 11.734 -1.880 -0.603 533 H THR 69 H THR 69 10.072 -3.704 0.894 534 HA THR 69 HA THR 69 12.437 -4.966 2.052 535 HB THR 69 HB THR 69 11.462 -4.417 4.227 536 HG1 THR 69 1HG THR 69 9.246 -4.618 3.662 537 HG21 THR 69 1HG2 THR 69 12.078 -2.234 4.150 538 HG22 THR 69 2HG2 THR 69 11.029 -1.876 2.778 539 HG23 THR 69 3HG2 THR 69 12.581 -2.670 2.517 540 H GLY 70 H GLY 70 12.203 -6.743 3.577 541 HA2 GLY 70 1HA GLY 70 10.409 -8.758 2.537 542 HA3 GLY 70 2HA GLY 70 11.645 -8.992 3.764 543 H MET 71 H MET 71 9.213 -6.489 3.993 544 HA MET 71 HA MET 71 8.220 -7.744 6.434 545 HB2 MET 71 1HB MET 71 8.924 -5.245 6.146 546 HB3 MET 71 2HB MET 71 7.326 -5.062 5.435 547 HG2 MET 71 1HG MET 71 6.249 -5.652 7.434 548 HG3 MET 71 2HG MET 71 7.732 -6.295 8.137 549 HE1 MET 71 1HE MET 71 6.872 -3.181 10.389 550 HE2 MET 71 2HE MET 71 5.783 -4.365 9.668 551 HE3 MET 71 3HE MET 71 7.296 -4.893 10.407 552 HA PRO 72 HA PRO 72 4.562 -9.233 4.466 553 HB2 PRO 72 1HB PRO 72 3.061 -9.622 6.694 554 HB3 PRO 72 2HB PRO 72 4.395 -10.688 6.236 555 HG2 PRO 72 1HG PRO 72 4.352 -8.459 8.234 556 HG3 PRO 72 2HG PRO 72 5.085 -10.068 8.368 557 HD2 PRO 72 1HD PRO 72 6.529 -7.853 7.785 558 HD3 PRO 72 2HD PRO 72 6.948 -9.459 7.154 559 H ALA 73 H ALA 73 2.369 -8.649 4.075 560 HA ALA 73 HA ALA 73 1.890 -5.817 4.299 561 HB1 ALA 73 1HB ALA 73 0.637 -6.114 2.486 562 HB2 ALA 73 2HB ALA 73 1.151 -7.802 2.500 563 HB3 ALA 73 3HB ALA 73 -0.355 -7.332 3.289 564 H GLY 74 H GLY 74 1.978 -6.841 6.836 565 HA2 GLY 74 1HA GLY 74 -0.737 -6.278 7.742 566 HA3 GLY 74 2HA GLY 74 -0.069 -7.837 8.202 567 H LYS 75 H LYS 75 2.271 -7.597 9.132 568 HA LYS 75 HA LYS 75 2.125 -6.400 11.600 569 HB2 LYS 75 1HB LYS 75 4.377 -7.334 9.888 570 HB3 LYS 75 2HB LYS 75 4.773 -6.366 11.302 571 HG2 LYS 75 1HG LYS 75 2.902 -8.615 11.717 572 HG3 LYS 75 2HG LYS 75 4.581 -9.026 11.358 573 HD2 LYS 75 1HD LYS 75 4.755 -8.837 13.618 574 HD3 LYS 75 2HD LYS 75 5.010 -7.142 13.195 575 HE2 LYS 75 1HE LYS 75 3.422 -7.195 14.964 576 HE3 LYS 75 2HE LYS 75 2.542 -6.799 13.488 577 HZ1 LYS 75 1HZ LYS 75 2.025 -9.245 13.348 578 HZ2 LYS 75 2HZ LYS 75 1.262 -8.402 14.601 579 HZ3 LYS 75 3HZ LYS 75 2.600 -9.382 14.933 580 H GLN 76 H GLN 76 3.452 -5.046 8.610 581 HA GLN 76 HA GLN 76 4.438 -2.655 9.719 582 HB2 GLN 76 1HB GLN 76 4.320 -1.795 7.373 583 HB3 GLN 76 2HB GLN 76 5.167 -3.327 7.537 584 HG2 GLN 76 1HG GLN 76 2.758 -4.287 6.998 585 HG3 GLN 76 2HG GLN 76 2.585 -2.713 6.223 586 HE21 GLN 76 1HE2 GLN 76 2.494 -3.598 4.171 587 HE22 GLN 76 2HE2 GLN 76 3.879 -4.269 3.387 588 H LYS 77 H LYS 77 3.158 -1.405 10.940 589 HA LYS 77 HA LYS 77 0.395 -0.923 10.172 590 HB2 LYS 77 1HB LYS 77 1.419 -1.279 12.589 591 HB3 LYS 77 2HB LYS 77 1.685 0.456 12.485 592 HG2 LYS 77 1HG LYS 77 -0.549 0.943 12.521 593 HG3 LYS 77 2HG LYS 77 -1.011 -0.611 11.823 594 HD2 LYS 77 1HD LYS 77 -1.711 -0.695 14.073 595 HD3 LYS 77 2HD LYS 77 -0.230 -1.654 14.004 596 HE2 LYS 77 1HE LYS 77 1.029 0.332 14.793 597 HE3 LYS 77 2HE LYS 77 -0.500 1.193 14.966 598 HZ1 LYS 77 1HZ LYS 77 -1.089 -0.024 16.777 599 HZ2 LYS 77 2HZ LYS 77 0.590 -0.070 16.972 600 HZ3 LYS 77 3HZ LYS 77 -0.220 -1.396 16.302 601 H LEU 78 H LEU 78 0.113 0.534 8.604 602 HA LEU 78 HA LEU 78 1.902 2.770 8.265 603 HB2 LEU 78 1HB LEU 78 -0.697 2.191 6.854 604 HB3 LEU 78 2HB LEU 78 0.554 3.321 6.339 605 HG LEU 78 HG LEU 78 0.779 0.313 6.416 606 HD11 LEU 78 1HD1 LEU 78 1.093 0.718 3.917 607 HD12 LEU 78 2HD1 LEU 78 0.405 2.314 4.212 608 HD13 LEU 78 3HD1 LEU 78 -0.541 0.868 4.564 609 HD21 LEU 78 1HD2 LEU 78 2.942 0.792 5.199 610 HD22 LEU 78 2HD2 LEU 78 2.926 1.158 6.925 611 HD23 LEU 78 3HD2 LEU 78 2.774 2.461 5.745 612 H GLN 79 H GLN 79 1.750 4.468 9.573 613 HA GLN 79 HA GLN 79 -0.881 5.271 10.584 614 HB2 GLN 79 1HB GLN 79 1.278 4.900 12.034 615 HB3 GLN 79 2HB GLN 79 1.682 6.523 11.489 616 HG2 GLN 79 1HG GLN 79 -0.339 7.401 12.458 617 HG3 GLN 79 2HG GLN 79 -0.868 5.779 12.902 618 HE21 GLN 79 1HE2 GLN 79 -0.347 8.172 14.540 619 HE22 GLN 79 2HE2 GLN 79 0.804 7.676 15.729 620 H TYR 80 H TYR 80 -1.851 7.104 9.964 621 HA TYR 80 HA TYR 80 -0.291 9.161 8.585 622 HB2 TYR 80 1HB TYR 80 -1.091 7.995 6.708 623 HB3 TYR 80 2HB TYR 80 -2.652 7.676 7.458 624 HD1 TYR 80 1HD TYR 80 -0.557 10.587 6.397 625 HD2 TYR 80 2HD TYR 80 -4.457 8.924 6.748 626 HE1 TYR 80 1HE TYR 80 -1.494 12.562 5.269 627 HE2 TYR 80 2HE TYR 80 -5.405 10.894 5.621 628 HH TYR 80 HH TYR 80 -3.616 13.745 5.089 629 H GLU 81 H GLU 81 -0.697 11.053 9.497 630 HA GLU 81 HA GLU 81 -1.677 12.659 10.790 631 HB2 GLU 81 1HB GLU 81 -3.957 11.734 9.051 632 HB3 GLU 81 2HB GLU 81 -4.119 13.087 10.162 633 HG2 GLU 81 1HG GLU 81 -2.093 12.914 7.944 634 HG3 GLU 81 2HG GLU 81 -3.627 13.778 7.853 635 H GLY 82 H GLY 82 -1.350 10.398 12.253 636 HA2 GLY 82 1HA GLY 82 -2.027 9.462 14.238 637 HA3 GLY 82 2HA GLY 82 -3.252 10.719 14.319 638 H ILE 83 H ILE 83 -3.017 8.443 11.669 639 HA ILE 83 HA ILE 83 -5.440 7.097 12.669 640 HB ILE 83 HB ILE 83 -4.859 7.793 9.788 641 HG12 ILE 83 1HG1 ILE 83 -7.055 8.886 11.548 642 HG13 ILE 83 2HG1 ILE 83 -5.511 9.704 11.332 643 HG21 ILE 83 1HG2 ILE 83 -7.209 6.429 11.090 644 HG22 ILE 83 2HG2 ILE 83 -7.182 6.996 9.421 645 HG23 ILE 83 3HG2 ILE 83 -6.073 5.727 9.938 646 HD11 ILE 83 1HD1 ILE 83 -7.335 10.567 9.895 647 HD12 ILE 83 2HD1 ILE 83 -5.927 9.998 8.998 648 HD13 ILE 83 3HD1 ILE 83 -7.379 9.002 9.084 649 H PHE 84 H PHE 84 -5.629 4.904 12.274 650 HA PHE 84 HA PHE 84 -3.126 3.573 11.547 651 HB2 PHE 84 1HB PHE 84 -5.585 2.645 13.029 652 HB3 PHE 84 2HB PHE 84 -4.319 1.536 12.511 653 HD1 PHE 84 2HD PHE 84 -1.857 2.799 13.080 654 HD2 PHE 84 1HD PHE 84 -5.491 2.989 15.288 655 HE1 PHE 84 2HE PHE 84 -0.584 3.298 15.126 656 HE2 PHE 84 1HE PHE 84 -4.224 3.489 17.337 657 HZ PHE 84 HZ PHE 84 -1.767 3.643 17.258 658 H ILE 85 H ILE 85 -4.161 4.525 9.320 659 HA ILE 85 HA ILE 85 -6.150 3.321 7.920 660 HB ILE 85 HB ILE 85 -4.835 3.669 5.862 661 HG12 ILE 85 1HG1 ILE 85 -2.590 4.538 7.688 662 HG13 ILE 85 2HG1 ILE 85 -2.648 2.962 6.906 663 HG21 ILE 85 1HG2 ILE 85 -4.107 6.169 6.846 664 HG22 ILE 85 2HG2 ILE 85 -5.650 5.720 6.121 665 HG23 ILE 85 3HG2 ILE 85 -5.444 5.647 7.871 666 HD11 ILE 85 1HD1 ILE 85 -3.021 5.176 5.056 667 HD12 ILE 85 2HD1 ILE 85 -1.470 5.207 5.894 668 HD13 ILE 85 3HD1 ILE 85 -1.942 3.785 4.965 669 H LYS 86 H LYS 86 -6.555 1.405 6.956 670 HA LYS 86 HA LYS 86 -4.431 -0.631 6.981 671 HB2 LYS 86 1HB LYS 86 -7.175 -0.760 8.138 672 HB3 LYS 86 2HB LYS 86 -6.529 -2.213 7.387 673 HG2 LYS 86 1HG LYS 86 -4.642 -2.202 8.888 674 HG3 LYS 86 2HG LYS 86 -5.171 -0.671 9.588 675 HD2 LYS 86 1HD LYS 86 -7.097 -1.677 10.548 676 HD3 LYS 86 2HD LYS 86 -6.861 -3.164 9.626 677 HE2 LYS 86 1HE LYS 86 -4.908 -2.135 11.677 678 HE3 LYS 86 2HE LYS 86 -6.192 -3.286 12.042 679 HZ1 LYS 86 1HZ LYS 86 -3.661 -3.829 11.040 680 HZ2 LYS 86 2HZ LYS 86 -4.747 -4.166 9.788 681 HZ3 LYS 86 3HZ LYS 86 -4.928 -4.922 11.290 682 H ASP 87 H ASP 87 -5.192 -2.608 5.634 683 HA ASP 87 HA ASP 87 -5.707 -1.655 2.990 684 HB2 ASP 87 1HB ASP 87 -5.742 -4.190 2.495 685 HB3 ASP 87 2HB ASP 87 -4.237 -3.476 3.068 686 H SER 88 H SER 88 -7.682 -2.689 5.560 687 HA SER 88 HA SER 88 -9.844 -3.758 4.038 688 HB2 SER 88 1HB SER 88 -9.305 -4.042 6.572 689 HB3 SER 88 2HB SER 88 -10.192 -2.529 6.758 690 HG SER 88 HG SER 88 -11.245 -4.867 6.681 691 H ASN 89 H ASN 89 -8.902 -0.564 5.077 692 HA ASN 89 HA ASN 89 -11.431 0.560 4.114 693 HB2 ASN 89 1HB ASN 89 -10.265 2.727 5.038 694 HB3 ASN 89 2HB ASN 89 -10.993 1.569 6.149 695 HD21 ASN 89 1HD2 ASN 89 -9.772 0.737 7.702 696 HD22 ASN 89 2HD2 ASN 89 -8.055 0.894 7.818 697 H SER 90 H SER 90 -11.442 2.316 2.617 698 HA SER 90 HA SER 90 -9.392 2.036 0.581 699 HB2 SER 90 1HB SER 90 -12.021 2.251 0.297 700 HB3 SER 90 2HB SER 90 -11.649 3.975 0.307 701 HG SER 90 HG SER 90 -10.122 3.511 -1.393 702 H LEU 91 H LEU 91 -8.534 4.005 -0.497 703 HA LEU 91 HA LEU 91 -7.358 5.738 1.459 704 HB2 LEU 91 1HB LEU 91 -7.211 5.758 -1.552 705 HB3 LEU 91 2HB LEU 91 -6.238 6.771 -0.488 706 HG LEU 91 HG LEU 91 -6.100 3.818 -0.138 707 HD11 LEU 91 1HD1 LEU 91 -4.358 5.130 -2.177 708 HD12 LEU 91 2HD1 LEU 91 -5.939 4.502 -2.640 709 HD13 LEU 91 3HD1 LEU 91 -4.730 3.421 -1.948 710 HD21 LEU 91 1HD2 LEU 91 -4.876 5.899 1.076 711 HD22 LEU 91 2HD2 LEU 91 -3.708 5.533 -0.195 712 HD23 LEU 91 3HD2 LEU 91 -4.186 4.281 0.953 713 H ALA 92 H ALA 92 -9.343 6.378 -1.438 714 HA ALA 92 HA ALA 92 -9.775 9.028 -1.285 715 HB1 ALA 92 1HB ALA 92 -12.076 8.621 -2.161 716 HB2 ALA 92 2HB ALA 92 -10.807 7.742 -3.014 717 HB3 ALA 92 3HB ALA 92 -11.832 6.901 -1.851 718 H TYR 93 H TYR 93 -11.770 6.658 0.487 719 HA TYR 93 HA TYR 93 -13.490 8.206 1.847 720 HB2 TYR 93 1HB TYR 93 -13.386 5.798 2.177 721 HB3 TYR 93 2HB TYR 93 -11.853 5.952 3.026 722 HD1 TYR 93 1HD TYR 93 -11.862 7.351 5.199 723 HD2 TYR 93 2HD TYR 93 -15.388 5.826 3.369 724 HE1 TYR 93 1HE TYR 93 -13.063 7.583 7.333 725 HE2 TYR 93 2HE TYR 93 -16.598 6.054 5.497 726 HH TYR 93 HH TYR 93 -16.329 7.547 7.617 727 H TYR 94 H TYR 94 -10.212 7.509 3.073 728 HA TYR 94 HA TYR 94 -10.289 9.241 5.254 729 HB2 TYR 94 1HB TYR 94 -8.044 8.113 3.607 730 HB3 TYR 94 2HB TYR 94 -7.714 9.258 4.903 731 HD1 TYR 94 2HD TYR 94 -9.318 8.558 7.098 732 HD2 TYR 94 1HD TYR 94 -7.575 5.949 4.225 733 HE1 TYR 94 2HE TYR 94 -9.376 6.726 8.737 734 HE2 TYR 94 1HE TYR 94 -7.630 4.108 5.856 735 HH TYR 94 HH TYR 94 -8.831 3.473 7.876 736 H ASN 95 H ASN 95 -9.553 9.846 1.879 737 HA ASN 95 HA ASN 95 -9.477 11.794 0.694 738 HB2 ASN 95 1HB ASN 95 -9.906 13.487 3.114 739 HB3 ASN 95 2HB ASN 95 -10.554 13.672 1.488 740 HD21 ASN 95 1HD2 ASN 95 -12.195 12.097 0.821 741 HD22 ASN 95 2HD2 ASN 95 -13.304 11.512 2.010 742 H MET 96 H MET 96 -7.126 10.760 1.270 743 HA MET 96 HA MET 96 -5.381 12.431 2.768 744 HB2 MET 96 1HB MET 96 -4.712 10.429 0.604 745 HB3 MET 96 2HB MET 96 -3.579 11.113 1.762 746 HG2 MET 96 1HG MET 96 -4.628 9.993 3.574 747 HG3 MET 96 2HG MET 96 -5.980 9.495 2.560 748 HE1 MET 96 1HE MET 96 -4.994 6.267 3.275 749 HE2 MET 96 2HE MET 96 -3.551 6.852 4.104 750 HE3 MET 96 3HE MET 96 -5.079 7.717 4.277 751 H ALA 97 H ALA 97 -3.304 13.257 1.558 752 HA ALA 97 HA ALA 97 -4.113 14.703 -0.873 753 HB1 ALA 97 1HB ALA 97 -2.406 16.066 1.162 754 HB2 ALA 97 2HB ALA 97 -3.453 16.761 -0.077 755 HB3 ALA 97 3HB ALA 97 -4.158 16.035 1.367 756 H SER 98 H SER 98 -2.516 15.053 -2.385 757 HA SER 98 HA SER 98 -0.520 13.237 -2.742 758 HB2 SER 98 1HB SER 98 0.325 14.609 -4.468 759 HB3 SER 98 2HB SER 98 -1.382 15.038 -4.363 760 HG SER 98 HG SER 98 -0.368 16.957 -4.361 761 H GLY 99 H GLY 99 1.906 13.735 -2.871 762 HA2 GLY 99 1HA GLY 99 3.836 13.927 -1.630 763 HA3 GLY 99 2HA GLY 99 3.256 15.559 -1.333 764 H ALA 100 H ALA 100 1.524 12.733 -0.231 765 HA ALA 100 HA ALA 100 1.539 13.668 2.465 766 HB1 ALA 100 1HB ALA 100 0.741 10.884 2.068 767 HB2 ALA 100 2HB ALA 100 -0.155 12.235 2.763 768 HB3 ALA 100 3HB ALA 100 -0.092 12.026 1.013 769 H VAL 101 H VAL 101 2.008 11.939 4.248 770 HA VAL 101 HA VAL 101 4.507 10.512 3.672 771 HB VAL 101 HB VAL 101 5.186 12.658 4.607 772 HG11 VAL 101 1HG1 VAL 101 4.194 12.312 7.293 773 HG12 VAL 101 2HG1 VAL 101 4.070 13.707 6.220 774 HG13 VAL 101 3HG1 VAL 101 2.867 12.420 6.137 775 HG21 VAL 101 1HG2 VAL 101 5.528 10.185 6.251 776 HG22 VAL 101 2HG2 VAL 101 6.696 11.019 5.225 777 HG23 VAL 101 3HG2 VAL 101 6.246 11.705 6.786 778 H ILE 102 H ILE 102 4.075 8.461 4.141 779 HA ILE 102 HA ILE 102 2.225 7.822 6.312 780 HB ILE 102 HB ILE 102 3.499 5.958 4.307 781 HG12 ILE 102 1HG1 ILE 102 1.983 7.724 3.332 782 HG13 ILE 102 2HG1 ILE 102 1.468 6.065 3.049 783 HG21 ILE 102 1HG2 ILE 102 1.012 5.409 5.876 784 HG22 ILE 102 2HG2 ILE 102 2.122 4.276 5.107 785 HG23 ILE 102 3HG2 ILE 102 2.600 5.113 6.583 786 HD11 ILE 102 1HD1 ILE 102 -0.421 6.326 4.218 787 HD12 ILE 102 2HD1 ILE 102 0.361 7.300 5.463 788 HD13 ILE 102 3HD1 ILE 102 -0.136 8.044 3.944 789 H HIS 103 H HIS 103 3.133 7.697 8.260 790 HA HIS 103 HA HIS 103 5.890 6.932 8.612 791 HB2 HIS 103 1HB HIS 103 3.737 7.484 10.665 792 HB3 HIS 103 2HB HIS 103 5.454 7.298 11.007 793 HD1 HIS 103 1HD HIS 103 6.986 9.146 9.574 794 HD2 HIS 103 2HD HIS 103 3.014 10.066 10.373 795 HE1 HIS 103 1HE HIS 103 6.808 11.641 9.315 796 HE2 HIS 103 2HE HIS 103 4.416 12.184 9.887 797 H LEU 104 H LEU 104 6.606 4.927 8.849 798 HA LEU 104 HA LEU 104 4.716 2.756 9.230 799 HB2 LEU 104 1HB LEU 104 6.489 2.632 7.515 800 HB3 LEU 104 2HB LEU 104 7.698 2.672 8.796 801 HG LEU 104 HG LEU 104 6.628 0.528 9.658 802 HD11 LEU 104 1HD1 LEU 104 5.696 -0.358 7.120 803 HD12 LEU 104 2HD1 LEU 104 4.823 1.109 7.562 804 HD13 LEU 104 3HD1 LEU 104 4.827 -0.277 8.653 805 HD21 LEU 104 1HD2 LEU 104 8.337 0.928 7.295 806 HD22 LEU 104 2HD2 LEU 104 7.652 -0.688 7.476 807 HD23 LEU 104 3HD2 LEU 104 8.631 0.006 8.770 808 H ALA 105 H ALA 105 4.656 1.372 10.958 809 HA ALA 105 HA ALA 105 6.551 1.769 13.149 810 HB1 ALA 105 1HB ALA 105 4.144 3.049 13.231 811 HB2 ALA 105 2HB ALA 105 3.788 1.548 14.087 812 HB3 ALA 105 3HB ALA 105 5.098 2.590 14.643 813 H LEU 106 H LEU 106 5.915 0.136 14.993 814 HA LEU 106 HA LEU 106 5.500 -2.457 13.673 815 HB2 LEU 106 1HB LEU 106 7.599 -2.491 14.670 816 HB3 LEU 106 2HB LEU 106 7.048 -1.595 16.084 817 HG LEU 106 HG LEU 106 5.810 -3.608 16.825 818 HD11 LEU 106 1HD1 LEU 106 7.255 -5.487 15.173 819 HD12 LEU 106 2HD1 LEU 106 6.199 -4.455 14.209 820 HD13 LEU 106 3HD1 LEU 106 5.532 -5.399 15.541 821 HD21 LEU 106 1HD2 LEU 106 8.143 -3.063 17.556 822 HD22 LEU 106 2HD2 LEU 106 8.724 -4.191 16.331 823 HD23 LEU 106 3HD2 LEU 106 7.715 -4.771 17.657 824 H LYS 107 H LYS 107 3.759 -3.634 14.131 825 HA LYS 107 HA LYS 107 1.809 -2.639 16.001 826 HB2 LYS 107 1HB LYS 107 1.250 -3.656 13.768 827 HB3 LYS 107 2HB LYS 107 1.731 -5.215 14.424 828 HG2 LYS 107 1HG LYS 107 -0.001 -4.867 16.218 829 HG3 LYS 107 2HG LYS 107 -0.569 -3.482 15.282 830 HD2 LYS 107 1HD LYS 107 -0.898 -4.996 13.342 831 HD3 LYS 107 2HD LYS 107 -0.453 -6.358 14.373 832 HE2 LYS 107 1HE LYS 107 -2.627 -4.516 15.253 833 HE3 LYS 107 2HE LYS 107 -2.971 -5.709 14.002 834 HZ1 LYS 107 1HZ LYS 107 -2.285 -6.124 16.824 835 HZ2 LYS 107 2HZ LYS 107 -1.848 -7.310 15.701 836 HZ3 LYS 107 3HZ LYS 107 -3.473 -6.877 15.885 837 H GLU 108 H GLU 108 0.987 -3.733 17.813 838 HA GLU 108 HA GLU 108 2.645 -4.697 19.681 839 HB2 GLU 108 1HB GLU 108 -0.225 -5.292 19.115 840 HB3 GLU 108 2HB GLU 108 0.585 -6.208 20.379 841 HG2 GLU 108 1HG GLU 108 1.295 -3.923 21.303 842 HG3 GLU 108 2HG GLU 108 0.047 -3.268 20.244 843 H ARG 109 H ARG 109 3.601 -6.595 20.299 844 HA ARG 109 HA ARG 109 4.077 -8.523 18.227 845 HB2 ARG 109 1HB ARG 109 5.037 -8.198 21.057 846 HB3 ARG 109 2HB ARG 109 5.393 -9.658 20.143 847 HG2 ARG 109 1HG ARG 109 6.842 -8.599 18.743 848 HG3 ARG 109 2HG ARG 109 6.013 -7.047 18.881 849 HD2 ARG 109 1HD ARG 109 7.913 -6.613 20.085 850 HD3 ARG 109 2HD ARG 109 6.846 -7.187 21.366 851 HE ARG 109 HE ARG 109 8.076 -9.446 20.575 852 HH11 ARG 109 2HH1 ARG 109 9.272 -6.297 21.455 853 HH12 ARG 109 1HH1 ARG 109 10.775 -6.897 22.074 854 HH21 ARG 109 2HH2 ARG 109 10.051 -10.248 21.386 855 HH22 ARG 109 1HH2 ARG 109 11.217 -9.144 22.033 856 H SER 110 H SER 110 3.240 -10.518 17.989 857 HA SER 110 HA SER 110 1.139 -11.316 19.879 858 HB2 SER 110 1HB SER 110 1.604 -11.885 16.962 859 HB3 SER 110 2HB SER 110 0.539 -12.911 17.922 860 HG SER 110 HG SER 110 0.138 -10.377 16.965 861 H GLY 111 H GLY 111 3.879 -12.627 18.036 862 HA2 GLY 111 1HA GLY 111 5.151 -14.089 19.871 863 HA3 GLY 111 2HA GLY 111 3.768 -15.120 19.533 864 HA PRO 112 HA PRO 112 6.689 -14.823 15.635 865 HB2 PRO 112 1HB PRO 112 9.303 -14.552 16.316 866 HB3 PRO 112 2HB PRO 112 8.256 -13.174 15.955 867 HG2 PRO 112 1HG PRO 112 9.075 -14.286 18.611 868 HG3 PRO 112 2HG PRO 112 8.968 -12.594 18.091 869 HD2 PRO 112 1HD PRO 112 7.047 -13.784 19.583 870 HD3 PRO 112 2HD PRO 112 6.685 -12.513 18.398 871 H SER 113 H SER 113 8.079 -16.503 14.783 872 HA SER 113 HA SER 113 8.755 -18.651 16.659 873 HB2 SER 113 1HB SER 113 7.742 -20.332 15.156 874 HB3 SER 113 2HB SER 113 6.537 -19.212 15.791 875 HG SER 113 HG SER 113 7.782 -18.984 13.250 876 H SER 114 H SER 114 10.199 -20.277 15.718 877 HA SER 114 HA SER 114 11.715 -19.299 13.398 878 HB2 SER 114 1HB SER 114 13.819 -19.717 14.503 879 HB3 SER 114 2HB SER 114 12.856 -18.665 15.540 880 HG SER 114 HG SER 114 13.674 -21.281 15.929 881 H GLY 115 H GLY 115 12.071 -20.817 11.912 882 HA2 GLY 115 1HA GLY 115 12.955 -23.113 11.534 883 HA3 GLY 115 2HA GLY 115 11.789 -23.641 12.738 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.461 27.426 4.350 2 HA2 GLY 1 1HA GLY 1 -9.674 29.858 5.016 3 HA3 GLY 1 2HA GLY 1 -10.928 28.790 4.401 4 H SER 2 H SER 2 -11.012 26.593 5.436 5 HA SER 2 HA SER 2 -10.863 26.951 8.323 6 HB2 SER 2 1HB SER 2 -12.964 26.124 7.330 7 HB3 SER 2 2HB SER 2 -12.107 24.719 6.695 8 HG SER 2 HG SER 2 -11.510 24.415 9.037 9 H SER 3 H SER 3 -9.031 26.393 9.289 10 HA SER 3 HA SER 3 -7.439 24.187 8.201 11 HB2 SER 3 1HB SER 3 -6.089 26.099 8.525 12 HB3 SER 3 2HB SER 3 -6.810 26.446 10.096 13 HG SER 3 HG SER 3 -5.328 25.246 10.950 14 H GLY 4 H GLY 4 -8.164 22.286 8.968 15 HA2 GLY 4 1HA GLY 4 -8.170 21.949 11.887 16 HA3 GLY 4 2HA GLY 4 -9.578 21.429 10.972 17 H SER 5 H SER 5 -6.647 20.478 12.250 18 HA SER 5 HA SER 5 -5.787 18.573 10.344 19 HB2 SER 5 1HB SER 5 -5.344 18.651 13.339 20 HB3 SER 5 2HB SER 5 -4.466 17.620 12.209 21 HG SER 5 HG SER 5 -4.246 20.347 12.674 22 H SER 6 H SER 6 -5.979 16.290 10.385 23 HA SER 6 HA SER 6 -8.611 15.371 10.944 24 HB2 SER 6 1HB SER 6 -6.952 14.567 9.120 25 HB3 SER 6 2HB SER 6 -6.289 13.539 10.390 26 HG SER 6 HG SER 6 -8.341 13.011 8.887 27 H GLY 7 H GLY 7 -9.420 14.409 12.700 28 HA2 GLY 7 1HA GLY 7 -7.793 12.881 14.510 29 HA3 GLY 7 2HA GLY 7 -8.269 14.436 15.177 30 H THR 8 H THR 8 -10.798 14.799 14.443 31 HA THR 8 HA THR 8 -12.272 13.209 16.189 32 HB THR 8 HB THR 8 -13.379 14.732 13.823 33 HG1 THR 8 1HG THR 8 -13.682 16.287 15.752 34 HG21 THR 8 1HG2 THR 8 -15.399 14.912 15.187 35 HG22 THR 8 2HG2 THR 8 -14.634 13.961 16.461 36 HG23 THR 8 3HG2 THR 8 -14.986 13.222 14.899 37 H GLU 9 H GLU 9 -12.260 13.122 12.622 38 HA GLU 9 HA GLU 9 -12.749 11.467 11.140 39 HB2 GLU 9 1HB GLU 9 -11.961 9.867 13.556 40 HB3 GLU 9 2HB GLU 9 -12.547 9.064 12.106 41 HG2 GLU 9 1HG GLU 9 -10.309 9.017 11.710 42 HG3 GLU 9 2HG GLU 9 -10.722 10.547 10.938 43 H ASP 10 H ASP 10 -14.914 12.737 12.240 44 HA ASP 10 HA ASP 10 -16.851 10.598 12.796 45 HB2 ASP 10 1HB ASP 10 -16.803 12.373 14.468 46 HB3 ASP 10 2HB ASP 10 -17.061 13.587 13.218 47 H SER 11 H SER 11 -16.353 13.479 10.788 48 HA SER 11 HA SER 11 -18.188 12.314 8.809 49 HB2 SER 11 1HB SER 11 -18.112 15.213 9.677 50 HB3 SER 11 2HB SER 11 -19.034 14.599 8.305 51 HG SER 11 HG SER 11 -20.390 13.578 9.649 52 H LEU 12 H LEU 12 -16.081 11.600 7.945 53 HA LEU 12 HA LEU 12 -14.418 13.678 6.769 54 HB2 LEU 12 1HB LEU 12 -14.202 10.704 7.034 55 HB3 LEU 12 2HB LEU 12 -13.182 11.577 5.893 56 HG LEU 12 HG LEU 12 -13.253 12.344 8.791 57 HD11 LEU 12 1HD1 LEU 12 -10.999 10.687 8.098 58 HD12 LEU 12 2HD1 LEU 12 -12.515 9.809 7.903 59 HD13 LEU 12 3HD1 LEU 12 -12.121 10.553 9.452 60 HD21 LEU 12 1HD2 LEU 12 -11.276 13.454 8.346 61 HD22 LEU 12 2HD2 LEU 12 -12.180 13.697 6.852 62 HD23 LEU 12 3HD2 LEU 12 -10.917 12.468 6.929 63 H MET 13 H MET 13 -14.561 14.343 4.726 64 HA MET 13 HA MET 13 -16.596 14.010 3.024 65 HB2 MET 13 1HB MET 13 -14.284 15.309 2.807 66 HB3 MET 13 2HB MET 13 -13.909 13.965 1.736 67 HG2 MET 13 1HG MET 13 -15.560 14.544 0.218 68 HG3 MET 13 2HG MET 13 -16.444 15.509 1.399 69 HE1 MET 13 1HE MET 13 -15.609 17.432 2.500 70 HE2 MET 13 2HE MET 13 -13.888 17.815 2.433 71 HE3 MET 13 3HE MET 13 -15.047 18.798 1.535 72 HA PRO 14 HA PRO 14 -16.731 9.811 1.696 73 HB2 PRO 14 1HB PRO 14 -18.223 10.139 -0.549 74 HB3 PRO 14 2HB PRO 14 -18.903 10.239 1.080 75 HG2 PRO 14 1HG PRO 14 -18.082 12.446 -0.769 76 HG3 PRO 14 2HG PRO 14 -19.527 12.320 0.252 77 HD2 PRO 14 1HD PRO 14 -17.368 13.792 0.960 78 HD3 PRO 14 2HD PRO 14 -18.397 12.972 2.151 79 H GLU 15 H GLU 15 -16.722 8.751 -0.732 80 HA GLU 15 HA GLU 15 -14.085 9.471 -1.770 81 HB2 GLU 15 1HB GLU 15 -14.857 7.075 -1.080 82 HB3 GLU 15 2HB GLU 15 -15.645 7.067 -2.651 83 HG2 GLU 15 1HG GLU 15 -13.592 7.286 -3.792 84 HG3 GLU 15 2HG GLU 15 -12.727 7.680 -2.308 85 H GLU 16 H GLU 16 -17.306 8.611 -3.035 86 HA GLU 16 HA GLU 16 -16.985 9.054 -5.693 87 HB2 GLU 16 1HB GLU 16 -19.298 9.371 -5.862 88 HB3 GLU 16 2HB GLU 16 -19.109 8.427 -4.391 89 HG2 GLU 16 1HG GLU 16 -19.265 11.411 -4.288 90 HG3 GLU 16 2HG GLU 16 -20.723 10.425 -4.387 91 H GLU 17 H GLU 17 -17.269 11.495 -3.178 92 HA GLU 17 HA GLU 17 -17.300 13.675 -5.078 93 HB2 GLU 17 1HB GLU 17 -17.126 13.624 -2.063 94 HB3 GLU 17 2HB GLU 17 -17.183 15.098 -3.018 95 HG2 GLU 17 1HG GLU 17 -19.315 12.975 -3.005 96 HG3 GLU 17 2HG GLU 17 -19.363 14.465 -2.064 97 H PHE 18 H PHE 18 -15.015 12.181 -2.844 98 HA PHE 18 HA PHE 18 -12.940 13.955 -2.840 99 HB2 PHE 18 1HB PHE 18 -12.817 11.918 -1.557 100 HB3 PHE 18 2HB PHE 18 -12.827 10.940 -3.021 101 HD1 PHE 18 1HD PHE 18 -10.857 11.264 -4.646 102 HD2 PHE 18 2HD PHE 18 -10.812 12.542 -0.586 103 HE1 PHE 18 1HE PHE 18 -8.397 11.304 -4.690 104 HE2 PHE 18 2HE PHE 18 -8.353 12.585 -0.624 105 HZ PHE 18 HZ PHE 18 -7.142 11.966 -2.677 106 H LEU 19 H LEU 19 -13.292 11.308 -5.208 107 HA LEU 19 HA LEU 19 -11.193 11.905 -6.867 108 HB2 LEU 19 1HB LEU 19 -13.924 10.972 -7.736 109 HB3 LEU 19 2HB LEU 19 -12.429 10.803 -8.654 110 HG LEU 19 HG LEU 19 -13.169 9.397 -6.092 111 HD11 LEU 19 1HD1 LEU 19 -12.307 7.891 -8.452 112 HD12 LEU 19 2HD1 LEU 19 -13.829 8.759 -8.650 113 HD13 LEU 19 3HD1 LEU 19 -13.642 7.596 -7.337 114 HD21 LEU 19 1HD2 LEU 19 -10.946 9.546 -5.700 115 HD22 LEU 19 2HD2 LEU 19 -10.555 9.855 -7.392 116 HD23 LEU 19 3HD2 LEU 19 -10.890 8.210 -6.850 117 H ARG 20 H ARG 20 -14.261 13.545 -6.594 118 HA ARG 20 HA ARG 20 -13.945 15.081 -9.001 119 HB2 ARG 20 1HB ARG 20 -15.800 15.532 -6.656 120 HB3 ARG 20 2HB ARG 20 -15.919 16.303 -8.232 121 HG2 ARG 20 1HG ARG 20 -16.393 14.175 -9.278 122 HG3 ARG 20 2HG ARG 20 -16.176 13.345 -7.736 123 HD2 ARG 20 1HD ARG 20 -18.150 14.162 -6.866 124 HD3 ARG 20 2HD ARG 20 -18.167 15.557 -7.943 125 HE ARG 20 HE ARG 20 -18.488 13.012 -9.264 126 HH11 ARG 20 2HH1 ARG 20 -20.082 15.696 -7.723 127 HH12 ARG 20 1HH1 ARG 20 -21.597 15.422 -8.518 128 HH21 ARG 20 2HH2 ARG 20 -20.477 12.641 -10.318 129 HH22 ARG 20 1HH2 ARG 20 -21.821 13.683 -9.993 130 H ARG 21 H ARG 21 -13.056 15.417 -5.659 131 HA ARG 21 HA ARG 21 -12.388 18.236 -5.982 132 HB2 ARG 21 1HB ARG 21 -12.221 16.379 -3.604 133 HB3 ARG 21 2HB ARG 21 -11.729 18.067 -3.569 134 HG2 ARG 21 1HG ARG 21 -14.502 17.185 -4.321 135 HG3 ARG 21 2HG ARG 21 -14.021 17.568 -2.667 136 HD2 ARG 21 1HD ARG 21 -13.584 19.820 -3.209 137 HD3 ARG 21 2HD ARG 21 -13.612 19.489 -4.941 138 HE ARG 21 HE ARG 21 -15.915 19.599 -4.906 139 HH11 ARG 21 2HH1 ARG 21 -14.668 19.596 -1.655 140 HH12 ARG 21 1HH1 ARG 21 -16.185 20.020 -0.934 141 HH21 ARG 21 2HH2 ARG 21 -17.918 20.157 -3.967 142 HH22 ARG 21 1HH2 ARG 21 -18.033 20.338 -2.249 143 H ASN 22 H ASN 22 -10.646 15.409 -4.669 144 HA ASN 22 HA ASN 22 -8.147 16.585 -5.662 145 HB2 ASN 22 1HB ASN 22 -8.338 14.242 -3.781 146 HB3 ASN 22 2HB ASN 22 -6.997 15.361 -4.008 147 HD21 ASN 22 1HD2 ASN 22 -9.879 14.695 -2.322 148 HD22 ASN 22 2HD2 ASN 22 -9.911 16.121 -1.346 149 H LYS 23 H LYS 23 -6.503 15.062 -6.502 150 HA LYS 23 HA LYS 23 -7.236 12.490 -7.449 151 HB2 LYS 23 1HB LYS 23 -7.160 13.060 -9.894 152 HB3 LYS 23 2HB LYS 23 -8.595 13.630 -9.051 153 HG2 LYS 23 1HG LYS 23 -8.118 15.517 -10.193 154 HG3 LYS 23 2HG LYS 23 -7.081 15.807 -8.794 155 HD2 LYS 23 1HD LYS 23 -5.559 16.174 -10.449 156 HD3 LYS 23 2HD LYS 23 -5.355 14.430 -10.270 157 HE2 LYS 23 1HE LYS 23 -7.417 15.431 -12.167 158 HE3 LYS 23 2HE LYS 23 -5.722 15.551 -12.636 159 HZ1 LYS 23 1HZ LYS 23 -6.514 13.493 -13.436 160 HZ2 LYS 23 2HZ LYS 23 -7.243 13.099 -11.961 161 HZ3 LYS 23 3HZ LYS 23 -5.557 13.126 -12.090 162 H GLY 24 H GLY 24 -5.423 11.349 -7.744 163 HA2 GLY 24 1HA GLY 24 -2.888 12.408 -7.263 164 HA3 GLY 24 2HA GLY 24 -3.200 10.845 -8.005 165 HA PRO 25 HA PRO 25 -1.361 10.244 -8.651 166 HB2 PRO 25 1HB PRO 25 1.253 10.723 -9.202 167 HB3 PRO 25 2HB PRO 25 0.173 9.888 -10.324 168 HG2 PRO 25 1HG PRO 25 1.046 12.751 -10.313 169 HG3 PRO 25 2HG PRO 25 0.895 11.633 -11.681 170 HD2 PRO 25 1HD PRO 25 -0.982 13.500 -11.112 171 HD3 PRO 25 2HD PRO 25 -1.386 11.929 -11.835 172 H VAL 26 H VAL 26 -0.582 10.135 -6.598 173 HA VAL 26 HA VAL 26 0.283 12.670 -5.367 174 HB VAL 26 HB VAL 26 -0.614 11.881 -3.258 175 HG11 VAL 26 1HG1 VAL 26 -2.949 12.036 -3.744 176 HG12 VAL 26 2HG1 VAL 26 -2.089 13.053 -4.901 177 HG13 VAL 26 3HG1 VAL 26 -2.697 11.473 -5.396 178 HG21 VAL 26 1HG2 VAL 26 -0.674 9.675 -2.930 179 HG22 VAL 26 2HG2 VAL 26 -2.190 9.686 -3.832 180 HG23 VAL 26 3HG2 VAL 26 -0.673 9.337 -4.661 181 H SER 27 H SER 27 2.161 12.734 -4.261 182 HA SER 27 HA SER 27 3.798 10.304 -4.288 183 HB2 SER 27 1HB SER 27 4.482 12.694 -5.214 184 HB3 SER 27 2HB SER 27 4.917 12.968 -3.527 185 HG SER 27 HG SER 27 6.552 12.017 -5.054 186 H ILE 28 H ILE 28 3.539 9.141 -2.486 187 HA ILE 28 HA ILE 28 3.385 10.540 0.094 188 HB ILE 28 HB ILE 28 2.544 8.438 1.023 189 HG12 ILE 28 1HG1 ILE 28 2.427 7.332 -1.775 190 HG13 ILE 28 2HG1 ILE 28 3.818 7.047 -0.735 191 HG21 ILE 28 1HG2 ILE 28 0.416 8.817 0.356 192 HG22 ILE 28 2HG2 ILE 28 1.159 10.208 -0.431 193 HG23 ILE 28 3HG2 ILE 28 0.824 8.746 -1.358 194 HD11 ILE 28 1HD1 ILE 28 1.012 6.077 -0.442 195 HD12 ILE 28 2HD1 ILE 28 2.524 5.169 -0.402 196 HD13 ILE 28 3HD1 ILE 28 2.073 6.192 0.962 197 H LYS 29 H LYS 29 4.768 10.047 1.776 198 HA LYS 29 HA LYS 29 7.186 8.555 1.006 199 HB2 LYS 29 1HB LYS 29 7.137 11.104 1.745 200 HB3 LYS 29 2HB LYS 29 7.154 10.395 3.354 201 HG2 LYS 29 1HG LYS 29 9.230 9.305 2.936 202 HG3 LYS 29 2HG LYS 29 9.174 9.737 1.225 203 HD2 LYS 29 1HD LYS 29 9.061 11.935 3.223 204 HD3 LYS 29 2HD LYS 29 10.607 11.120 2.977 205 HE2 LYS 29 1HE LYS 29 10.790 12.742 1.387 206 HE3 LYS 29 2HE LYS 29 9.981 11.500 0.432 207 HZ1 LYS 29 1HZ LYS 29 7.897 12.577 0.754 208 HZ2 LYS 29 2HZ LYS 29 8.995 13.747 0.220 209 HZ3 LYS 29 3HZ LYS 29 8.557 13.682 1.853 210 H VAL 30 H VAL 30 7.388 6.615 1.887 211 HA VAL 30 HA VAL 30 5.888 5.944 4.295 212 HB VAL 30 HB VAL 30 7.531 4.187 2.467 213 HG11 VAL 30 1HG1 VAL 30 7.545 2.882 4.314 214 HG12 VAL 30 2HG1 VAL 30 6.151 3.692 5.031 215 HG13 VAL 30 3HG1 VAL 30 5.917 2.484 3.767 216 HG21 VAL 30 1HG2 VAL 30 5.020 3.335 2.139 217 HG22 VAL 30 2HG2 VAL 30 4.694 5.030 2.500 218 HG23 VAL 30 3HG2 VAL 30 5.735 4.602 1.143 219 H GLN 31 H GLN 31 6.857 6.471 6.150 220 HA GLN 31 HA GLN 31 9.690 6.645 6.446 221 HB2 GLN 31 1HB GLN 31 7.890 7.952 7.724 222 HB3 GLN 31 2HB GLN 31 7.709 6.507 8.709 223 HG2 GLN 31 1HG GLN 31 10.177 8.195 8.395 224 HG3 GLN 31 2HG GLN 31 9.166 8.032 9.830 225 HE21 GLN 31 1HE2 GLN 31 11.649 6.616 7.898 226 HE22 GLN 31 2HE2 GLN 31 12.049 5.326 8.975 227 H VAL 32 H VAL 32 10.822 4.800 6.263 228 HA VAL 32 HA VAL 32 9.863 2.374 7.580 229 HB VAL 32 HB VAL 32 12.286 2.733 5.812 230 HG11 VAL 32 1HG1 VAL 32 12.795 0.615 6.252 231 HG12 VAL 32 2HG1 VAL 32 11.565 0.637 7.517 232 HG13 VAL 32 3HG1 VAL 32 11.151 0.091 5.892 233 HG21 VAL 32 1HG2 VAL 32 10.541 1.285 4.341 234 HG22 VAL 32 2HG2 VAL 32 9.431 2.347 5.206 235 HG23 VAL 32 3HG2 VAL 32 10.719 3.035 4.219 236 HA PRO 33 HA PRO 33 12.550 3.539 11.000 237 HB2 PRO 33 1HB PRO 33 11.604 1.632 12.685 238 HB3 PRO 33 2HB PRO 33 10.757 3.154 12.384 239 HG2 PRO 33 1HG PRO 33 10.262 0.447 11.207 240 HG3 PRO 33 2HG PRO 33 9.092 1.641 11.797 241 HD2 PRO 33 1HD PRO 33 9.638 1.314 9.165 242 HD3 PRO 33 2HD PRO 33 9.197 2.887 9.860 243 H ASN 34 H ASN 34 14.049 2.247 12.415 244 HA ASN 34 HA ASN 34 15.221 0.046 10.851 245 HB2 ASN 34 1HB ASN 34 16.798 1.809 10.958 246 HB3 ASN 34 2HB ASN 34 16.465 2.110 12.661 247 HD21 ASN 34 1HD2 ASN 34 17.675 1.129 14.146 248 HD22 ASN 34 2HD2 ASN 34 18.852 -0.094 13.821 249 H MET 35 H MET 35 14.772 -1.885 11.671 250 HA MET 35 HA MET 35 14.594 -2.166 14.597 251 HB2 MET 35 1HB MET 35 13.141 -3.464 12.342 252 HB3 MET 35 2HB MET 35 13.430 -4.415 13.792 253 HG2 MET 35 1HG MET 35 11.238 -3.312 13.792 254 HG3 MET 35 2HG MET 35 12.256 -2.813 15.141 255 HE1 MET 35 1HE MET 35 9.634 -1.197 14.257 256 HE2 MET 35 2HE MET 35 10.681 -0.764 15.608 257 HE3 MET 35 3HE MET 35 10.245 0.451 14.405 258 H GLN 36 H GLN 36 16.533 -2.815 15.313 259 HA GLN 36 HA GLN 36 18.054 -4.780 13.773 260 HB2 GLN 36 1HB GLN 36 19.096 -2.653 14.710 261 HB3 GLN 36 2HB GLN 36 18.932 -3.388 16.299 262 HG2 GLN 36 1HG GLN 36 21.114 -3.872 15.697 263 HG3 GLN 36 2HG GLN 36 20.242 -5.354 15.308 264 HE21 GLN 36 1HE2 GLN 36 21.837 -2.542 14.027 265 HE22 GLN 36 2HE2 GLN 36 21.980 -3.113 12.403 266 H ASP 37 H ASP 37 15.704 -4.867 16.025 267 HA ASP 37 HA ASP 37 16.719 -6.718 17.925 268 HB2 ASP 37 1HB ASP 37 14.724 -5.306 18.327 269 HB3 ASP 37 2HB ASP 37 13.848 -6.226 17.107 270 H LYS 38 H LYS 38 17.795 -8.033 16.153 271 HA LYS 38 HA LYS 38 17.796 -9.767 14.606 272 HB2 LYS 38 1HB LYS 38 17.711 -10.583 17.124 273 HB3 LYS 38 2HB LYS 38 16.165 -11.252 16.619 274 HG2 LYS 38 1HG LYS 38 17.737 -12.976 16.350 275 HG3 LYS 38 2HG LYS 38 17.409 -12.369 14.726 276 HD2 LYS 38 1HD LYS 38 19.455 -11.105 14.728 277 HD3 LYS 38 2HD LYS 38 19.753 -11.511 16.419 278 HE2 LYS 38 1HE LYS 38 19.471 -13.650 14.338 279 HE3 LYS 38 2HE LYS 38 21.008 -12.824 14.587 280 HZ1 LYS 38 1HZ LYS 38 20.955 -13.513 16.906 281 HZ2 LYS 38 2HZ LYS 38 20.891 -14.855 15.878 282 HZ3 LYS 38 3HZ LYS 38 19.488 -14.318 16.656 283 H THR 39 H THR 39 15.961 -8.227 13.555 284 HA THR 39 HA THR 39 13.503 -9.801 13.245 285 HB THR 39 HB THR 39 13.022 -7.521 13.775 286 HG1 THR 39 1HG THR 39 12.397 -6.977 11.278 287 HG21 THR 39 1HG2 THR 39 14.904 -6.826 11.521 288 HG22 THR 39 2HG2 THR 39 15.096 -6.447 13.233 289 HG23 THR 39 3HG2 THR 39 13.823 -5.668 12.294 290 H GLU 40 H GLU 40 12.829 -10.572 11.277 291 HA GLU 40 HA GLU 40 14.891 -10.794 9.240 292 HB2 GLU 40 1HB GLU 40 13.348 -12.437 8.204 293 HB3 GLU 40 2HB GLU 40 13.759 -12.833 9.867 294 HG2 GLU 40 1HG GLU 40 11.627 -11.995 10.632 295 HG3 GLU 40 2HG GLU 40 11.216 -11.478 8.998 296 H TRP 41 H TRP 41 13.758 -8.215 9.543 297 HA TRP 41 HA TRP 41 12.341 -7.944 6.972 298 HB2 TRP 41 1HB TRP 41 12.052 -6.150 9.393 299 HB3 TRP 41 2HB TRP 41 11.182 -5.997 7.869 300 HD1 TRP 41 HD TRP 41 10.568 -9.231 7.676 301 HE1 TRP 41 1HE TRP 41 8.670 -10.156 9.148 302 HE3 TRP 41 3HE TRP 41 10.326 -5.480 11.142 303 HZ2 TRP 41 2HZ TRP 41 7.256 -9.396 11.470 304 HZ3 TRP 41 3HZ TRP 41 8.673 -5.656 12.956 305 HH2 TRP 41 HH TRP 41 7.170 -7.574 13.115 306 H LYS 42 H LYS 42 12.838 -6.101 5.704 307 HA LYS 42 HA LYS 42 15.598 -5.294 5.916 308 HB2 LYS 42 1HB LYS 42 13.452 -4.565 3.915 309 HB3 LYS 42 2HB LYS 42 15.140 -4.091 3.785 310 HG2 LYS 42 1HG LYS 42 14.576 -6.978 4.105 311 HG3 LYS 42 2HG LYS 42 14.145 -6.233 2.564 312 HD2 LYS 42 1HD LYS 42 16.297 -6.766 2.075 313 HD3 LYS 42 2HD LYS 42 16.598 -5.211 2.854 314 HE2 LYS 42 1HE LYS 42 18.132 -6.798 3.766 315 HE3 LYS 42 2HE LYS 42 16.927 -6.438 5.003 316 HZ1 LYS 42 1HZ LYS 42 17.557 -8.862 4.624 317 HZ2 LYS 42 2HZ LYS 42 16.635 -8.767 3.210 318 HZ3 LYS 42 3HZ LYS 42 15.908 -8.493 4.713 319 H LEU 43 H LEU 43 14.812 -4.286 8.115 320 HA LEU 43 HA LEU 43 13.931 -1.519 7.666 321 HB2 LEU 43 1HB LEU 43 14.057 -3.152 10.196 322 HB3 LEU 43 2HB LEU 43 13.532 -1.472 10.104 323 HG LEU 43 HG LEU 43 12.149 -3.808 8.784 324 HD11 LEU 43 1HD1 LEU 43 11.746 -4.087 11.060 325 HD12 LEU 43 2HD1 LEU 43 10.360 -3.148 10.503 326 HD13 LEU 43 3HD1 LEU 43 11.679 -2.350 11.360 327 HD21 LEU 43 1HD2 LEU 43 11.348 -0.911 9.046 328 HD22 LEU 43 2HD2 LEU 43 10.360 -2.198 8.354 329 HD23 LEU 43 3HD2 LEU 43 11.862 -1.716 7.563 330 H ASN 44 H ASN 44 15.752 -0.414 7.133 331 HA ASN 44 HA ASN 44 17.852 -0.308 9.185 332 HB2 ASN 44 1HB ASN 44 18.373 -1.613 6.941 333 HB3 ASN 44 2HB ASN 44 18.625 0.014 6.318 334 HD21 ASN 44 1HD2 ASN 44 20.543 0.909 6.608 335 HD22 ASN 44 2HD2 ASN 44 21.765 0.344 7.690 336 H GLY 45 H GLY 45 15.847 1.479 9.236 337 HA2 GLY 45 1HA GLY 45 15.299 3.710 9.067 338 HA3 GLY 45 2HA GLY 45 17.030 3.945 9.259 339 H GLN 46 H GLN 46 14.401 3.691 6.964 340 HA GLN 46 HA GLN 46 15.872 5.345 5.099 341 HB2 GLN 46 1HB GLN 46 15.595 3.833 3.199 342 HB3 GLN 46 2HB GLN 46 16.584 3.091 4.450 343 HG2 GLN 46 1HG GLN 46 14.561 1.872 5.233 344 HG3 GLN 46 2HG GLN 46 13.698 2.515 3.836 345 HE21 GLN 46 1HE2 GLN 46 13.708 -0.099 3.997 346 HE22 GLN 46 2HE2 GLN 46 14.815 -0.820 2.885 347 H GLY 47 H GLY 47 14.428 5.713 3.065 348 HA2 GLY 47 1HA GLY 47 11.615 5.884 3.956 349 HA3 GLY 47 2HA GLY 47 12.425 7.223 3.156 350 H LEU 48 H LEU 48 10.179 5.013 2.624 351 HA LEU 48 HA LEU 48 11.007 4.470 -0.148 352 HB2 LEU 48 1HB LEU 48 8.874 3.089 1.472 353 HB3 LEU 48 2HB LEU 48 9.414 2.645 -0.146 354 HG LEU 48 HG LEU 48 11.124 2.507 2.337 355 HD11 LEU 48 1HD1 LEU 48 9.915 0.206 0.825 356 HD12 LEU 48 2HD1 LEU 48 9.159 0.922 2.248 357 HD13 LEU 48 3HD1 LEU 48 10.752 0.177 2.378 358 HD21 LEU 48 1HD2 LEU 48 11.683 1.121 -0.249 359 HD22 LEU 48 2HD2 LEU 48 12.795 1.599 1.034 360 HD23 LEU 48 3HD2 LEU 48 12.124 2.818 -0.050 361 H VAL 49 H VAL 49 10.167 5.857 -1.551 362 HA VAL 49 HA VAL 49 7.511 6.997 -1.016 363 HB VAL 49 HB VAL 49 9.672 7.959 -2.897 364 HG11 VAL 49 1HG1 VAL 49 8.063 9.084 -3.937 365 HG12 VAL 49 2HG1 VAL 49 6.854 8.525 -2.779 366 HG13 VAL 49 3HG1 VAL 49 7.793 9.980 -2.442 367 HG21 VAL 49 1HG2 VAL 49 8.856 9.760 -0.781 368 HG22 VAL 49 2HG2 VAL 49 9.486 8.242 -0.142 369 HG23 VAL 49 3HG2 VAL 49 10.470 9.215 -1.236 370 H PHE 50 H PHE 50 5.868 6.864 -2.499 371 HA PHE 50 HA PHE 50 6.357 5.523 -5.043 372 HB2 PHE 50 1HB PHE 50 4.223 4.530 -3.148 373 HB3 PHE 50 2HB PHE 50 4.677 3.837 -4.701 374 HD1 PHE 50 1HD PHE 50 7.239 3.161 -4.864 375 HD2 PHE 50 2HD PHE 50 5.023 3.530 -1.249 376 HE1 PHE 50 1HE PHE 50 8.844 1.678 -3.733 377 HE2 PHE 50 2HE PHE 50 6.624 2.048 -0.112 378 HZ PHE 50 HZ PHE 50 8.538 1.121 -1.353 379 H THR 51 H THR 51 5.306 6.545 -6.607 380 HA THR 51 HA THR 51 3.170 8.411 -5.889 381 HB THR 51 HB THR 51 4.628 8.114 -8.523 382 HG1 THR 51 1HG THR 51 5.241 10.384 -7.362 383 HG21 THR 51 1HG2 THR 51 3.711 10.588 -8.618 384 HG22 THR 51 2HG2 THR 51 2.492 9.937 -7.523 385 HG23 THR 51 3HG2 THR 51 2.711 9.227 -9.122 386 H LEU 52 H LEU 52 1.167 7.641 -5.978 387 HA LEU 52 HA LEU 52 0.325 6.168 -8.355 388 HB2 LEU 52 1HB LEU 52 -0.541 5.211 -5.652 389 HB3 LEU 52 2HB LEU 52 -0.652 4.385 -7.205 390 HG LEU 52 HG LEU 52 1.997 4.494 -7.018 391 HD11 LEU 52 1HD1 LEU 52 1.618 3.889 -4.195 392 HD12 LEU 52 2HD1 LEU 52 1.314 5.580 -4.591 393 HD13 LEU 52 3HD1 LEU 52 2.866 4.845 -4.994 394 HD21 LEU 52 1HD2 LEU 52 1.643 2.307 -7.059 395 HD22 LEU 52 2HD2 LEU 52 -0.028 2.567 -6.557 396 HD23 LEU 52 3HD2 LEU 52 1.231 2.328 -5.344 397 HA PRO 53 HA PRO 53 -3.150 8.853 -8.065 398 HB2 PRO 53 1HB PRO 53 -4.927 7.433 -9.549 399 HB3 PRO 53 2HB PRO 53 -3.566 8.309 -10.259 400 HG2 PRO 53 1HG PRO 53 -3.819 5.394 -9.625 401 HG3 PRO 53 2HG PRO 53 -3.137 6.171 -11.066 402 HD2 PRO 53 1HD PRO 53 -1.592 5.197 -9.068 403 HD3 PRO 53 2HD PRO 53 -1.126 6.614 -10.031 404 H LEU 54 H LEU 54 -5.466 8.860 -7.430 405 HA LEU 54 HA LEU 54 -5.846 7.170 -5.106 406 HB2 LEU 54 1HB LEU 54 -7.276 9.556 -6.226 407 HB3 LEU 54 2HB LEU 54 -7.974 8.603 -4.918 408 HG LEU 54 HG LEU 54 -6.961 10.283 -3.738 409 HD11 LEU 54 1HD1 LEU 54 -4.508 8.591 -3.972 410 HD12 LEU 54 2HD1 LEU 54 -5.983 7.930 -3.268 411 HD13 LEU 54 3HD1 LEU 54 -5.219 9.345 -2.545 412 HD21 LEU 54 1HD2 LEU 54 -5.209 10.441 -6.090 413 HD22 LEU 54 2HD2 LEU 54 -4.435 10.833 -4.555 414 HD23 LEU 54 3HD2 LEU 54 -5.868 11.722 -5.073 415 H THR 55 H THR 55 -6.188 5.150 -6.141 416 HA THR 55 HA THR 55 -8.890 4.879 -7.284 417 HB THR 55 HB THR 55 -7.915 2.882 -8.567 418 HG1 THR 55 1HG THR 55 -5.470 4.215 -8.591 419 HG21 THR 55 1HG2 THR 55 -7.702 4.184 -10.438 420 HG22 THR 55 2HG2 THR 55 -6.717 5.394 -9.617 421 HG23 THR 55 3HG2 THR 55 -8.461 5.353 -9.358 422 H ASP 56 H ASP 56 -6.353 2.553 -6.391 423 HA ASP 56 HA ASP 56 -8.230 0.838 -5.094 424 HB2 ASP 56 1HB ASP 56 -5.267 0.834 -5.498 425 HB3 ASP 56 2HB ASP 56 -5.963 -0.242 -4.290 426 H GLN 57 H GLN 57 -7.244 -0.065 -2.817 427 HA GLN 57 HA GLN 57 -7.477 2.240 -1.029 428 HB2 GLN 57 1HB GLN 57 -7.755 -0.721 -0.490 429 HB3 GLN 57 2HB GLN 57 -7.951 0.541 0.719 430 HG2 GLN 57 1HG GLN 57 -9.972 1.202 -0.091 431 HG3 GLN 57 2HG GLN 57 -9.598 0.709 -1.741 432 HE21 GLN 57 1HE2 GLN 57 -12.013 0.082 -0.832 433 HE22 GLN 57 2HE2 GLN 57 -12.138 -1.605 -0.482 434 H VAL 58 H VAL 58 -6.291 1.751 1.188 435 HA VAL 58 HA VAL 58 -3.598 2.182 0.838 436 HB VAL 58 HB VAL 58 -4.875 0.857 3.234 437 HG11 VAL 58 1HG1 VAL 58 -2.360 2.510 3.134 438 HG12 VAL 58 2HG1 VAL 58 -2.991 1.574 4.492 439 HG13 VAL 58 3HG1 VAL 58 -2.368 0.748 3.063 440 HG21 VAL 58 1HG2 VAL 58 -4.366 3.785 2.722 441 HG22 VAL 58 2HG2 VAL 58 -5.937 2.997 2.576 442 HG23 VAL 58 3HG2 VAL 58 -5.133 3.078 4.144 443 H SER 59 H SER 59 -5.319 -0.828 0.837 444 HA SER 59 HA SER 59 -3.455 -2.702 1.507 445 HB2 SER 59 1HB SER 59 -4.563 -4.220 -0.095 446 HB3 SER 59 2HB SER 59 -5.735 -3.282 0.831 447 HG SER 59 HG SER 59 -5.890 -3.476 -1.626 448 H VAL 60 H VAL 60 -3.822 -1.198 -1.697 449 HA VAL 60 HA VAL 60 -1.718 -2.518 -2.973 450 HB VAL 60 HB VAL 60 -1.695 -0.630 -4.563 451 HG11 VAL 60 1HG1 VAL 60 -4.456 -1.533 -3.748 452 HG12 VAL 60 2HG1 VAL 60 -4.018 -0.846 -5.313 453 HG13 VAL 60 3HG1 VAL 60 -3.350 -2.400 -4.812 454 HG21 VAL 60 1HG2 VAL 60 -2.411 1.415 -4.048 455 HG22 VAL 60 2HG2 VAL 60 -3.947 0.800 -3.438 456 HG23 VAL 60 3HG2 VAL 60 -2.539 0.861 -2.378 457 H ILE 61 H ILE 61 -1.696 0.059 -0.668 458 HA ILE 61 HA ILE 61 0.886 1.095 -1.270 459 HB ILE 61 HB ILE 61 -0.550 1.212 1.382 460 HG12 ILE 61 1HG1 ILE 61 -1.996 2.026 -0.437 461 HG13 ILE 61 2HG1 ILE 61 -1.484 3.342 0.615 462 HG21 ILE 61 1HG2 ILE 61 1.977 2.170 0.491 463 HG22 ILE 61 2HG2 ILE 61 0.926 3.553 0.793 464 HG23 ILE 61 3HG2 ILE 61 1.214 2.369 2.068 465 HD11 ILE 61 1HD1 ILE 61 0.145 4.056 -1.007 466 HD12 ILE 61 2HD1 ILE 61 -0.236 2.677 -2.039 467 HD13 ILE 61 3HD1 ILE 61 -1.441 3.935 -1.768 468 H LYS 62 H LYS 62 -0.296 -1.539 0.695 469 HA LYS 62 HA LYS 62 2.126 -1.947 2.153 470 HB2 LYS 62 1HB LYS 62 -0.135 -3.885 1.630 471 HB3 LYS 62 2HB LYS 62 1.109 -4.053 2.862 472 HG2 LYS 62 1HG LYS 62 0.192 -1.720 3.646 473 HG3 LYS 62 2HG LYS 62 -1.253 -2.249 2.781 474 HD2 LYS 62 1HD LYS 62 -1.584 -4.066 4.195 475 HD3 LYS 62 2HD LYS 62 0.090 -4.061 4.752 476 HE2 LYS 62 1HE LYS 62 -0.303 -2.007 5.984 477 HE3 LYS 62 2HE LYS 62 -1.954 -1.931 5.373 478 HZ1 LYS 62 1HZ LYS 62 -1.418 -2.943 7.713 479 HZ2 LYS 62 2HZ LYS 62 -1.120 -4.342 6.811 480 HZ3 LYS 62 3HZ LYS 62 -2.638 -3.598 6.742 481 H VAL 63 H VAL 63 0.587 -3.788 -0.489 482 HA VAL 63 HA VAL 63 2.433 -5.700 -0.992 483 HB VAL 63 HB VAL 63 0.296 -5.199 -2.296 484 HG11 VAL 63 1HG1 VAL 63 1.586 -2.903 -2.994 485 HG12 VAL 63 2HG1 VAL 63 1.850 -3.910 -4.419 486 HG13 VAL 63 3HG1 VAL 63 0.210 -3.589 -3.856 487 HG21 VAL 63 1HG2 VAL 63 2.819 -6.099 -3.671 488 HG22 VAL 63 2HG2 VAL 63 1.610 -7.101 -2.868 489 HG23 VAL 63 3HG2 VAL 63 1.211 -6.274 -4.374 490 H LYS 64 H LYS 64 2.762 -2.284 -1.648 491 HA LYS 64 HA LYS 64 5.054 -2.480 -3.322 492 HB2 LYS 64 1HB LYS 64 4.030 -0.174 -1.656 493 HB3 LYS 64 2HB LYS 64 5.306 -0.054 -2.860 494 HG2 LYS 64 1HG LYS 64 2.564 -1.052 -3.553 495 HG3 LYS 64 2HG LYS 64 2.966 0.667 -3.548 496 HD2 LYS 64 1HD LYS 64 4.935 -0.011 -5.065 497 HD3 LYS 64 2HD LYS 64 4.046 -1.518 -5.297 498 HE2 LYS 64 1HE LYS 64 2.050 0.067 -5.837 499 HE3 LYS 64 2HE LYS 64 3.314 1.264 -6.113 500 HZ1 LYS 64 1HZ LYS 64 2.453 -0.273 -8.034 501 HZ2 LYS 64 2HZ LYS 64 3.588 -1.353 -7.396 502 HZ3 LYS 64 3HZ LYS 64 4.083 0.171 -7.938 503 H ILE 65 H ILE 65 4.582 -1.974 0.146 504 HA ILE 65 HA ILE 65 7.272 -1.495 0.812 505 HB ILE 65 HB ILE 65 5.075 -2.701 2.496 506 HG12 ILE 65 1HG1 ILE 65 6.120 0.113 2.653 507 HG13 ILE 65 2HG1 ILE 65 4.870 -0.317 1.491 508 HG21 ILE 65 1HG2 ILE 65 6.436 -2.097 4.423 509 HG22 ILE 65 2HG2 ILE 65 7.294 -3.232 3.382 510 HG23 ILE 65 3HG2 ILE 65 7.713 -1.519 3.354 511 HD11 ILE 65 1HD1 ILE 65 4.138 -1.331 4.048 512 HD12 ILE 65 2HD1 ILE 65 4.571 0.372 4.200 513 HD13 ILE 65 3HD1 ILE 65 3.325 -0.123 3.053 514 H HIS 66 H HIS 66 5.371 -4.499 1.138 515 HA HIS 66 HA HIS 66 7.460 -6.157 1.932 516 HB2 HIS 66 1HB HIS 66 5.118 -6.840 2.066 517 HB3 HIS 66 2HB HIS 66 5.005 -6.860 0.308 518 HD1 HIS 66 1HD HIS 66 5.979 -8.887 -0.918 519 HD2 HIS 66 2HD HIS 66 6.500 -9.020 3.202 520 HE1 HIS 66 1HE HIS 66 6.737 -11.231 -0.411 521 HE2 HIS 66 2HE HIS 66 6.964 -11.312 2.096 522 H GLU 67 H GLU 67 6.438 -5.166 -1.285 523 HA GLU 67 HA GLU 67 7.879 -6.968 -2.832 524 HB2 GLU 67 1HB GLU 67 6.827 -4.219 -3.237 525 HB3 GLU 67 2HB GLU 67 8.030 -4.791 -4.385 526 HG2 GLU 67 1HG GLU 67 5.623 -6.441 -3.731 527 HG3 GLU 67 2HG GLU 67 5.543 -5.140 -4.917 528 H ALA 68 H ALA 68 8.920 -3.972 -1.289 529 HA ALA 68 HA ALA 68 11.618 -4.284 -2.352 530 HB1 ALA 68 1HB ALA 68 12.055 -2.101 -1.595 531 HB2 ALA 68 2HB ALA 68 10.406 -2.054 -2.220 532 HB3 ALA 68 3HB ALA 68 10.688 -2.125 -0.480 533 H THR 69 H THR 69 10.175 -3.752 0.871 534 HA THR 69 HA THR 69 12.542 -4.873 2.132 535 HB THR 69 HB THR 69 11.507 -4.234 4.251 536 HG1 THR 69 1HG THR 69 9.314 -4.609 3.670 537 HG21 THR 69 1HG2 THR 69 12.379 -2.218 3.884 538 HG22 THR 69 2HG2 THR 69 10.891 -1.728 3.073 539 HG23 THR 69 3HG2 THR 69 12.205 -2.448 2.144 540 H GLY 70 H GLY 70 12.393 -6.571 3.742 541 HA2 GLY 70 1HA GLY 70 10.708 -8.733 2.821 542 HA3 GLY 70 2HA GLY 70 11.950 -8.830 4.061 543 H MET 71 H MET 71 9.388 -6.449 4.136 544 HA MET 71 HA MET 71 8.411 -7.671 6.612 545 HB2 MET 71 1HB MET 71 9.132 -5.207 6.422 546 HB3 MET 71 2HB MET 71 7.619 -4.966 5.560 547 HG2 MET 71 1HG MET 71 6.331 -5.505 7.438 548 HG3 MET 71 2HG MET 71 7.703 -6.230 8.274 549 HE1 MET 71 1HE MET 71 7.841 -4.052 10.798 550 HE2 MET 71 2HE MET 71 6.269 -3.456 10.265 551 HE3 MET 71 3HE MET 71 6.664 -5.168 10.103 552 HA PRO 72 HA PRO 72 4.806 -9.163 4.530 553 HB2 PRO 72 1HB PRO 72 3.337 -9.736 6.739 554 HB3 PRO 72 2HB PRO 72 4.691 -10.736 6.201 555 HG2 PRO 72 1HG PRO 72 4.614 -8.646 8.342 556 HG3 PRO 72 2HG PRO 72 5.388 -10.242 8.363 557 HD2 PRO 72 1HD PRO 72 6.772 -7.957 7.918 558 HD3 PRO 72 2HD PRO 72 7.223 -9.507 7.178 559 H ALA 73 H ALA 73 2.582 -8.623 4.219 560 HA ALA 73 HA ALA 73 2.029 -5.821 4.741 561 HB1 ALA 73 1HB ALA 73 0.442 -5.929 3.049 562 HB2 ALA 73 2HB ALA 73 1.675 -7.070 2.511 563 HB3 ALA 73 3HB ALA 73 0.191 -7.662 3.259 564 H GLY 74 H GLY 74 1.995 -7.366 7.071 565 HA2 GLY 74 1HA GLY 74 -0.807 -7.004 7.857 566 HA3 GLY 74 2HA GLY 74 -0.059 -8.565 8.161 567 H LYS 75 H LYS 75 2.268 -8.204 9.213 568 HA LYS 75 HA LYS 75 1.847 -7.374 11.824 569 HB2 LYS 75 1HB LYS 75 4.276 -7.942 10.185 570 HB3 LYS 75 2HB LYS 75 4.491 -7.180 11.756 571 HG2 LYS 75 1HG LYS 75 2.798 -9.622 11.557 572 HG3 LYS 75 2HG LYS 75 4.556 -9.781 11.503 573 HD2 LYS 75 1HD LYS 75 4.464 -8.238 13.612 574 HD3 LYS 75 2HD LYS 75 2.800 -8.816 13.720 575 HE2 LYS 75 1HE LYS 75 5.050 -10.756 13.370 576 HE3 LYS 75 2HE LYS 75 4.697 -10.091 14.964 577 HZ1 LYS 75 1HZ LYS 75 2.295 -10.934 13.781 578 HZ2 LYS 75 2HZ LYS 75 3.048 -11.531 15.173 579 HZ3 LYS 75 3HZ LYS 75 3.415 -12.197 13.662 580 H GLN 76 H GLN 76 3.384 -5.614 9.151 581 HA GLN 76 HA GLN 76 3.993 -3.300 10.674 582 HB2 GLN 76 1HB GLN 76 4.591 -2.279 8.612 583 HB3 GLN 76 2HB GLN 76 5.054 -3.971 8.484 584 HG2 GLN 76 1HG GLN 76 3.097 -4.444 7.151 585 HG3 GLN 76 2HG GLN 76 2.531 -2.786 7.348 586 HE21 GLN 76 1HE2 GLN 76 3.328 -4.449 4.976 587 HE22 GLN 76 2HE2 GLN 76 4.464 -3.466 4.123 588 H LYS 77 H LYS 77 2.781 -1.601 11.225 589 HA LYS 77 HA LYS 77 0.033 -1.485 10.177 590 HB2 LYS 77 1HB LYS 77 0.668 -1.743 12.733 591 HB3 LYS 77 2HB LYS 77 0.866 0.001 12.630 592 HG2 LYS 77 1HG LYS 77 -1.378 0.361 12.188 593 HG3 LYS 77 2HG LYS 77 -1.638 -1.296 11.639 594 HD2 LYS 77 1HD LYS 77 -2.645 -1.265 13.737 595 HD3 LYS 77 2HD LYS 77 -1.053 -1.953 14.066 596 HE2 LYS 77 1HE LYS 77 -0.279 0.000 15.061 597 HE3 LYS 77 2HE LYS 77 -1.509 0.998 14.287 598 HZ1 LYS 77 1HZ LYS 77 -3.158 -0.274 15.690 599 HZ2 LYS 77 2HZ LYS 77 -2.154 0.807 16.517 600 HZ3 LYS 77 3HZ LYS 77 -1.836 -0.853 16.573 601 H LEU 78 H LEU 78 -0.377 0.077 8.771 602 HA LEU 78 HA LEU 78 1.460 2.275 8.419 603 HB2 LEU 78 1HB LEU 78 -1.159 1.726 7.032 604 HB3 LEU 78 2HB LEU 78 0.077 2.874 6.521 605 HG LEU 78 HG LEU 78 0.387 -0.128 6.584 606 HD11 LEU 78 1HD1 LEU 78 0.655 0.948 3.990 607 HD12 LEU 78 2HD1 LEU 78 -0.832 1.603 4.675 608 HD13 LEU 78 3HD1 LEU 78 -0.591 -0.142 4.598 609 HD21 LEU 78 1HD2 LEU 78 2.516 0.843 6.950 610 HD22 LEU 78 2HD2 LEU 78 2.230 2.100 5.746 611 HD23 LEU 78 3HD2 LEU 78 2.447 0.424 5.238 612 H GLN 79 H GLN 79 1.281 4.233 9.286 613 HA GLN 79 HA GLN 79 -1.332 5.045 10.378 614 HB2 GLN 79 1HB GLN 79 0.612 4.457 12.011 615 HB3 GLN 79 2HB GLN 79 1.260 6.020 11.530 616 HG2 GLN 79 1HG GLN 79 -0.975 6.999 12.191 617 HG3 GLN 79 2HG GLN 79 -1.329 5.438 12.930 618 HE21 GLN 79 1HE2 GLN 79 -0.363 4.884 14.829 619 HE22 GLN 79 2HE2 GLN 79 0.624 5.962 15.750 620 H TYR 80 H TYR 80 -2.100 6.974 9.759 621 HA TYR 80 HA TYR 80 -0.264 8.877 8.477 622 HB2 TYR 80 1HB TYR 80 -1.305 7.783 6.629 623 HB3 TYR 80 2HB TYR 80 -2.892 7.871 7.385 624 HD1 TYR 80 1HD TYR 80 -0.203 10.372 6.660 625 HD2 TYR 80 2HD TYR 80 -4.297 9.293 6.244 626 HE1 TYR 80 1HE TYR 80 -0.636 12.491 5.488 627 HE2 TYR 80 2HE TYR 80 -4.742 11.408 5.070 628 HH TYR 80 HH TYR 80 -2.252 13.882 4.736 629 H GLU 81 H GLU 81 -0.514 10.921 9.133 630 HA GLU 81 HA GLU 81 -1.215 12.642 10.466 631 HB2 GLU 81 1HB GLU 81 -3.605 11.809 8.877 632 HB3 GLU 81 2HB GLU 81 -3.801 13.042 10.115 633 HG2 GLU 81 1HG GLU 81 -1.661 13.275 8.038 634 HG3 GLU 81 2HG GLU 81 -3.319 13.772 7.701 635 H GLY 82 H GLY 82 -0.932 10.324 11.943 636 HA2 GLY 82 1HA GLY 82 -1.440 9.518 14.034 637 HA3 GLY 82 2HA GLY 82 -2.480 10.920 14.235 638 H ILE 83 H ILE 83 -2.827 8.498 11.709 639 HA ILE 83 HA ILE 83 -5.285 7.554 13.031 640 HB ILE 83 HB ILE 83 -4.906 8.086 10.082 641 HG12 ILE 83 1HG1 ILE 83 -6.801 9.354 12.071 642 HG13 ILE 83 2HG1 ILE 83 -5.302 10.089 11.511 643 HG21 ILE 83 1HG2 ILE 83 -7.087 6.717 11.616 644 HG22 ILE 83 2HG2 ILE 83 -7.409 7.508 10.074 645 HG23 ILE 83 3HG2 ILE 83 -6.250 6.182 10.159 646 HD11 ILE 83 1HD1 ILE 83 -6.938 9.289 9.286 647 HD12 ILE 83 2HD1 ILE 83 -7.829 10.342 10.386 648 HD13 ILE 83 3HD1 ILE 83 -6.295 10.878 9.701 649 H PHE 84 H PHE 84 -5.902 5.391 12.604 650 HA PHE 84 HA PHE 84 -3.630 3.675 11.936 651 HB2 PHE 84 1HB PHE 84 -6.210 3.210 13.416 652 HB3 PHE 84 2HB PHE 84 -5.204 1.869 12.878 653 HD1 PHE 84 2HD PHE 84 -2.536 2.551 13.421 654 HD2 PHE 84 1HD PHE 84 -6.007 3.572 15.663 655 HE1 PHE 84 2HE PHE 84 -1.157 2.774 15.447 656 HE2 PHE 84 1HE PHE 84 -4.634 3.797 17.692 657 HZ PHE 84 HZ PHE 84 -2.206 3.397 17.586 658 H ILE 85 H ILE 85 -4.500 4.768 9.683 659 HA ILE 85 HA ILE 85 -6.610 3.859 8.254 660 HB ILE 85 HB ILE 85 -5.129 3.875 6.221 661 HG12 ILE 85 1HG1 ILE 85 -2.966 4.806 8.102 662 HG13 ILE 85 2HG1 ILE 85 -3.097 3.124 7.600 663 HG21 ILE 85 1HG2 ILE 85 -4.319 6.385 7.294 664 HG22 ILE 85 2HG2 ILE 85 -5.647 6.030 6.190 665 HG23 ILE 85 3HG2 ILE 85 -5.913 5.983 7.932 666 HD11 ILE 85 1HD1 ILE 85 -2.221 3.542 5.594 667 HD12 ILE 85 2HD1 ILE 85 -3.155 5.024 5.386 668 HD13 ILE 85 3HD1 ILE 85 -1.660 5.047 6.321 669 H LYS 86 H LYS 86 -7.311 2.010 7.344 670 HA LYS 86 HA LYS 86 -5.621 -0.380 7.683 671 HB2 LYS 86 1HB LYS 86 -8.532 0.103 8.060 672 HB3 LYS 86 2HB LYS 86 -8.051 -1.464 7.421 673 HG2 LYS 86 1HG LYS 86 -6.821 -1.993 9.349 674 HG3 LYS 86 2HG LYS 86 -6.843 -0.323 9.920 675 HD2 LYS 86 1HD LYS 86 -9.226 -0.459 10.327 676 HD3 LYS 86 2HD LYS 86 -9.277 -2.088 9.648 677 HE2 LYS 86 1HE LYS 86 -9.168 -2.603 11.868 678 HE3 LYS 86 2HE LYS 86 -7.446 -2.531 11.500 679 HZ1 LYS 86 1HZ LYS 86 -7.208 -0.529 12.570 680 HZ2 LYS 86 2HZ LYS 86 -8.376 -1.271 13.542 681 HZ3 LYS 86 3HZ LYS 86 -8.837 -0.105 12.407 682 H ASP 87 H ASP 87 -5.640 -1.970 6.041 683 HA ASP 87 HA ASP 87 -5.402 -1.088 3.448 684 HB2 ASP 87 1HB ASP 87 -6.011 -3.639 2.951 685 HB3 ASP 87 2HB ASP 87 -4.475 -3.167 3.672 686 H SER 88 H SER 88 -8.275 -2.228 5.114 687 HA SER 88 HA SER 88 -9.940 -2.450 2.837 688 HB2 SER 88 1HB SER 88 -10.639 -1.979 5.745 689 HB3 SER 88 2HB SER 88 -11.809 -2.375 4.486 690 HG SER 88 HG SER 88 -9.564 -3.998 5.075 691 H ASN 89 H ASN 89 -8.943 0.231 4.809 692 HA ASN 89 HA ASN 89 -10.993 2.015 3.843 693 HB2 ASN 89 1HB ASN 89 -8.601 2.295 5.628 694 HB3 ASN 89 2HB ASN 89 -9.371 3.736 4.973 695 HD21 ASN 89 1HD2 ASN 89 -9.960 0.813 6.843 696 HD22 ASN 89 2HD2 ASN 89 -11.276 1.449 7.764 697 H SER 90 H SER 90 -10.894 3.352 2.141 698 HA SER 90 HA SER 90 -8.657 3.106 0.329 699 HB2 SER 90 1HB SER 90 -11.049 3.130 -0.437 700 HB3 SER 90 2HB SER 90 -11.126 4.829 0.029 701 HG SER 90 HG SER 90 -10.629 4.584 -2.185 702 H LEU 91 H LEU 91 -7.570 4.957 -0.609 703 HA LEU 91 HA LEU 91 -6.649 6.771 1.385 704 HB2 LEU 91 1HB LEU 91 -6.181 6.774 -1.594 705 HB3 LEU 91 2HB LEU 91 -5.282 7.721 -0.411 706 HG LEU 91 HG LEU 91 -4.822 5.281 0.577 707 HD11 LEU 91 1HD1 LEU 91 -4.295 3.862 -1.497 708 HD12 LEU 91 2HD1 LEU 91 -5.462 4.893 -2.324 709 HD13 LEU 91 3HD1 LEU 91 -5.965 3.930 -0.935 710 HD21 LEU 91 1HD2 LEU 91 -3.431 6.986 -1.404 711 HD22 LEU 91 2HD2 LEU 91 -2.808 5.352 -1.171 712 HD23 LEU 91 3HD2 LEU 91 -2.920 6.458 0.200 713 H ALA 92 H ALA 92 -8.693 7.103 -1.489 714 HA ALA 92 HA ALA 92 -9.016 9.886 -1.408 715 HB1 ALA 92 1HB ALA 92 -9.813 9.133 -3.381 716 HB2 ALA 92 2HB ALA 92 -10.411 7.625 -2.689 717 HB3 ALA 92 3HB ALA 92 -11.343 9.111 -2.504 718 H TYR 93 H TYR 93 -10.635 7.304 0.325 719 HA TYR 93 HA TYR 93 -12.824 8.789 1.296 720 HB2 TYR 93 1HB TYR 93 -12.853 6.376 1.393 721 HB3 TYR 93 2HB TYR 93 -11.428 6.357 2.425 722 HD1 TYR 93 1HD TYR 93 -11.600 7.170 4.775 723 HD2 TYR 93 2HD TYR 93 -15.028 6.692 2.301 724 HE1 TYR 93 1HE TYR 93 -13.038 7.213 6.770 725 HE2 TYR 93 2HE TYR 93 -16.476 6.735 4.289 726 HH TYR 93 HH TYR 93 -15.263 6.454 7.452 727 H TYR 94 H TYR 94 -9.585 8.213 2.593 728 HA TYR 94 HA TYR 94 -10.051 9.606 5.039 729 HB2 TYR 94 1HB TYR 94 -7.610 8.565 3.637 730 HB3 TYR 94 2HB TYR 94 -7.445 9.604 5.048 731 HD1 TYR 94 2HD TYR 94 -9.365 8.779 6.935 732 HD2 TYR 94 1HD TYR 94 -7.237 6.356 4.160 733 HE1 TYR 94 2HE TYR 94 -9.670 6.834 8.409 734 HE2 TYR 94 1HE TYR 94 -7.537 4.403 5.625 735 HH TYR 94 HH TYR 94 -9.596 4.520 8.441 736 H ASN 95 H ASN 95 -9.760 10.680 1.911 737 HA ASN 95 HA ASN 95 -9.595 12.760 1.000 738 HB2 ASN 95 1HB ASN 95 -9.307 13.887 3.782 739 HB3 ASN 95 2HB ASN 95 -9.952 14.680 2.348 740 HD21 ASN 95 1HD2 ASN 95 -11.662 12.764 1.395 741 HD22 ASN 95 2HD2 ASN 95 -12.951 12.529 2.521 742 H MET 96 H MET 96 -7.312 11.218 1.156 743 HA MET 96 HA MET 96 -5.101 12.662 2.234 744 HB2 MET 96 1HB MET 96 -5.240 10.416 0.218 745 HB3 MET 96 2HB MET 96 -3.738 11.061 0.866 746 HG2 MET 96 1HG MET 96 -4.899 10.525 3.167 747 HG3 MET 96 2HG MET 96 -5.812 9.389 2.176 748 HE1 MET 96 1HE MET 96 -3.454 6.970 3.883 749 HE2 MET 96 2HE MET 96 -4.942 7.905 4.029 750 HE3 MET 96 3HE MET 96 -4.742 6.769 2.695 751 H ALA 97 H ALA 97 -3.364 13.621 0.998 752 HA ALA 97 HA ALA 97 -4.131 14.591 -1.665 753 HB1 ALA 97 1HB ALA 97 -3.437 16.252 0.724 754 HB2 ALA 97 2HB ALA 97 -3.093 16.837 -0.904 755 HB3 ALA 97 3HB ALA 97 -4.750 16.454 -0.437 756 H SER 98 H SER 98 -2.300 15.509 -2.876 757 HA SER 98 HA SER 98 -0.125 13.801 -2.987 758 HB2 SER 98 1HB SER 98 0.887 15.390 -4.512 759 HB3 SER 98 2HB SER 98 -0.850 15.344 -4.812 760 HG SER 98 HG SER 98 0.704 17.419 -4.035 761 H GLY 99 H GLY 99 2.169 14.255 -2.609 762 HA2 GLY 99 1HA GLY 99 3.922 14.819 -1.239 763 HA3 GLY 99 2HA GLY 99 3.076 16.328 -0.934 764 H ALA 100 H ALA 100 1.990 13.045 -0.190 765 HA ALA 100 HA ALA 100 1.627 13.855 2.592 766 HB1 ALA 100 1HB ALA 100 0.393 11.666 2.754 767 HB2 ALA 100 2HB ALA 100 -0.301 12.852 1.648 768 HB3 ALA 100 3HB ALA 100 0.630 11.495 1.015 769 H VAL 101 H VAL 101 2.020 12.015 4.230 770 HA VAL 101 HA VAL 101 4.437 10.485 3.603 771 HB VAL 101 HB VAL 101 5.358 12.463 4.582 772 HG11 VAL 101 1HG1 VAL 101 4.432 12.675 7.167 773 HG12 VAL 101 2HG1 VAL 101 3.984 13.719 5.816 774 HG13 VAL 101 3HG1 VAL 101 2.970 12.339 6.240 775 HG21 VAL 101 1HG2 VAL 101 6.253 10.267 5.327 776 HG22 VAL 101 2HG2 VAL 101 6.497 11.563 6.498 777 HG23 VAL 101 3HG2 VAL 101 5.220 10.375 6.753 778 H ILE 102 H ILE 102 3.941 8.449 4.054 779 HA ILE 102 HA ILE 102 1.991 7.844 6.137 780 HB ILE 102 HB ILE 102 3.340 6.009 4.153 781 HG12 ILE 102 1HG1 ILE 102 1.814 7.680 3.135 782 HG13 ILE 102 2HG1 ILE 102 1.220 6.031 2.963 783 HG21 ILE 102 1HG2 ILE 102 1.176 4.650 4.908 784 HG22 ILE 102 2HG2 ILE 102 2.725 4.505 5.737 785 HG23 ILE 102 3HG2 ILE 102 1.466 5.547 6.398 786 HD11 ILE 102 1HD1 ILE 102 -0.677 6.580 3.949 787 HD12 ILE 102 2HD1 ILE 102 0.186 7.170 5.369 788 HD13 ILE 102 3HD1 ILE 102 -0.125 8.253 4.013 789 H HIS 103 H HIS 103 2.786 7.720 8.135 790 HA HIS 103 HA HIS 103 5.501 6.904 8.650 791 HB2 HIS 103 1HB HIS 103 3.213 7.623 10.489 792 HB3 HIS 103 2HB HIS 103 4.827 7.203 11.055 793 HD1 HIS 103 1HD HIS 103 6.738 8.916 10.549 794 HD2 HIS 103 2HD HIS 103 2.930 10.194 9.489 795 HE1 HIS 103 1HE HIS 103 6.945 11.391 10.154 796 HE2 HIS 103 2HE HIS 103 4.611 12.156 9.597 797 H LEU 104 H LEU 104 6.193 4.914 9.080 798 HA LEU 104 HA LEU 104 4.240 2.765 9.299 799 HB2 LEU 104 1HB LEU 104 6.154 2.618 7.726 800 HB3 LEU 104 2HB LEU 104 7.244 2.612 9.111 801 HG LEU 104 HG LEU 104 6.268 0.484 9.854 802 HD11 LEU 104 1HD1 LEU 104 4.307 1.146 7.833 803 HD12 LEU 104 2HD1 LEU 104 4.224 -0.027 9.146 804 HD13 LEU 104 3HD1 LEU 104 4.960 -0.477 7.608 805 HD21 LEU 104 1HD2 LEU 104 6.911 -0.187 7.078 806 HD22 LEU 104 2HD2 LEU 104 7.701 -0.674 8.578 807 HD23 LEU 104 3HD2 LEU 104 8.073 0.890 7.852 808 H ALA 105 H ALA 105 4.028 1.409 11.035 809 HA ALA 105 HA ALA 105 5.757 1.817 13.359 810 HB1 ALA 105 1HB ALA 105 2.830 1.705 13.877 811 HB2 ALA 105 2HB ALA 105 4.118 2.451 14.823 812 HB3 ALA 105 3HB ALA 105 3.537 3.233 13.352 813 H LEU 106 H LEU 106 6.228 -0.032 14.386 814 HA LEU 106 HA LEU 106 5.313 -2.513 13.317 815 HB2 LEU 106 1HB LEU 106 7.566 -1.800 14.524 816 HB3 LEU 106 2HB LEU 106 6.704 -2.400 15.939 817 HG LEU 106 HG LEU 106 7.217 -4.018 13.446 818 HD11 LEU 106 1HD1 LEU 106 8.840 -3.538 15.872 819 HD12 LEU 106 2HD1 LEU 106 9.341 -3.935 14.229 820 HD13 LEU 106 3HD1 LEU 106 8.730 -5.201 15.295 821 HD21 LEU 106 1HD2 LEU 106 6.788 -5.593 15.749 822 HD22 LEU 106 2HD2 LEU 106 5.769 -5.453 14.316 823 HD23 LEU 106 3HD2 LEU 106 5.503 -4.386 15.695 824 H LYS 107 H LYS 107 3.752 -3.848 14.006 825 HA LYS 107 HA LYS 107 1.931 -2.916 16.035 826 HB2 LYS 107 1HB LYS 107 1.385 -4.147 13.809 827 HB3 LYS 107 2HB LYS 107 1.764 -5.607 14.713 828 HG2 LYS 107 1HG LYS 107 0.024 -5.098 16.321 829 HG3 LYS 107 2HG LYS 107 -0.326 -3.581 15.489 830 HD2 LYS 107 1HD LYS 107 -1.102 -4.739 13.551 831 HD3 LYS 107 2HD LYS 107 -0.527 -6.286 14.176 832 HE2 LYS 107 1HE LYS 107 -2.732 -6.464 14.723 833 HE3 LYS 107 2HE LYS 107 -2.143 -5.659 16.177 834 HZ1 LYS 107 1HZ LYS 107 -3.428 -4.336 13.849 835 HZ2 LYS 107 2HZ LYS 107 -2.825 -3.537 15.212 836 HZ3 LYS 107 3HZ LYS 107 -4.136 -4.594 15.363 837 H GLU 108 H GLU 108 1.705 -3.635 18.076 838 HA GLU 108 HA GLU 108 3.782 -5.284 19.182 839 HB2 GLU 108 1HB GLU 108 2.676 -3.273 20.303 840 HB3 GLU 108 2HB GLU 108 1.309 -4.333 20.617 841 HG2 GLU 108 1HG GLU 108 2.732 -4.211 22.557 842 HG3 GLU 108 2HG GLU 108 2.772 -5.837 21.878 843 H ARG 109 H ARG 109 3.402 -7.272 18.081 844 HA ARG 109 HA ARG 109 1.199 -8.822 19.265 845 HB2 ARG 109 1HB ARG 109 2.099 -8.758 16.390 846 HB3 ARG 109 2HB ARG 109 1.194 -10.112 17.053 847 HG2 ARG 109 1HG ARG 109 -0.645 -8.616 17.622 848 HG3 ARG 109 2HG ARG 109 0.265 -7.249 16.976 849 HD2 ARG 109 1HD ARG 109 -1.272 -7.925 15.293 850 HD3 ARG 109 2HD ARG 109 0.328 -8.457 14.778 851 HE ARG 109 HE ARG 109 -0.381 -10.629 14.933 852 HH11 ARG 109 2HH1 ARG 109 -2.641 -8.564 16.591 853 HH12 ARG 109 1HH1 ARG 109 -3.807 -9.822 16.840 854 HH21 ARG 109 2HH2 ARG 109 -1.907 -12.293 15.256 855 HH22 ARG 109 1HH2 ARG 109 -3.388 -11.942 16.081 856 H SER 110 H SER 110 1.805 -10.667 20.206 857 HA SER 110 HA SER 110 4.208 -12.056 19.347 858 HB2 SER 110 1HB SER 110 3.930 -10.704 22.016 859 HB3 SER 110 2HB SER 110 4.913 -12.159 21.852 860 HG SER 110 HG SER 110 5.300 -10.090 20.015 861 H GLY 111 H GLY 111 4.524 -14.064 20.841 862 HA2 GLY 111 1HA GLY 111 3.643 -16.129 21.349 863 HA3 GLY 111 2HA GLY 111 2.564 -15.203 22.382 864 HA PRO 112 HA PRO 112 0.350 -15.973 18.119 865 HB2 PRO 112 1HB PRO 112 1.335 -18.067 16.699 866 HB3 PRO 112 2HB PRO 112 1.891 -16.405 16.471 867 HG2 PRO 112 1HG PRO 112 3.145 -18.624 18.042 868 HG3 PRO 112 2HG PRO 112 3.912 -17.446 16.962 869 HD2 PRO 112 1HD PRO 112 3.949 -17.190 19.657 870 HD3 PRO 112 2HD PRO 112 3.919 -15.790 18.565 871 H SER 113 H SER 113 1.408 -18.142 20.494 872 HA SER 113 HA SER 113 0.480 -19.944 21.530 873 HB2 SER 113 1HB SER 113 -1.884 -18.452 20.465 874 HB3 SER 113 2HB SER 113 -2.139 -20.043 21.181 875 HG SER 113 HG SER 113 -1.773 -19.232 23.088 876 H SER 114 H SER 114 1.657 -20.507 19.082 877 HA SER 114 HA SER 114 0.138 -21.897 17.222 878 HB2 SER 114 1HB SER 114 2.571 -21.290 17.012 879 HB3 SER 114 2HB SER 114 2.941 -22.645 18.078 880 HG SER 114 HG SER 114 1.553 -22.843 15.609 881 H GLY 115 H GLY 115 1.781 -23.155 20.120 882 HA2 GLY 115 1HA GLY 115 1.620 -25.222 21.146 883 HA3 GLY 115 2HA GLY 115 -0.098 -24.869 21.041 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.988 26.812 -3.064 2 HA2 GLY 1 1HA GLY 1 -13.947 26.044 -1.168 3 HA3 GLY 1 2HA GLY 1 -13.186 27.627 -1.121 4 H SER 2 H SER 2 -13.402 28.557 0.790 5 HA SER 2 HA SER 2 -14.300 29.323 2.736 6 HB2 SER 2 1HB SER 2 -16.115 30.160 1.266 7 HB3 SER 2 2HB SER 2 -16.964 28.629 1.474 8 HG SER 2 HG SER 2 -16.193 29.974 3.784 9 H SER 3 H SER 3 -13.364 26.724 2.708 10 HA SER 3 HA SER 3 -14.603 25.653 5.022 11 HB2 SER 3 1HB SER 3 -16.311 24.765 3.651 12 HB3 SER 3 2HB SER 3 -15.173 24.317 2.381 13 HG SER 3 HG SER 3 -15.381 23.144 4.958 14 H GLY 4 H GLY 4 -13.286 24.199 6.059 15 HA2 GLY 4 1HA GLY 4 -11.354 22.553 4.929 16 HA3 GLY 4 2HA GLY 4 -10.571 24.096 5.240 17 H SER 5 H SER 5 -11.188 21.109 6.500 18 HA SER 5 HA SER 5 -11.536 21.819 9.259 19 HB2 SER 5 1HB SER 5 -11.242 19.424 9.695 20 HB3 SER 5 2HB SER 5 -12.371 19.678 8.365 21 HG SER 5 HG SER 5 -10.103 19.505 7.182 22 H SER 6 H SER 6 -9.929 20.804 10.887 23 HA SER 6 HA SER 6 -7.198 21.545 10.057 24 HB2 SER 6 1HB SER 6 -8.182 23.142 11.665 25 HB3 SER 6 2HB SER 6 -8.442 21.822 12.805 26 HG SER 6 HG SER 6 -5.987 21.556 12.326 27 H GLY 7 H GLY 7 -9.011 19.558 12.398 28 HA2 GLY 7 1HA GLY 7 -7.459 17.236 11.819 29 HA3 GLY 7 2HA GLY 7 -6.956 17.972 13.334 30 H THR 8 H THR 8 -9.887 16.887 11.634 31 HA THR 8 HA THR 8 -10.761 15.545 14.065 32 HB THR 8 HB THR 8 -13.147 16.602 13.393 33 HG1 THR 8 1HG THR 8 -12.598 18.948 13.156 34 HG21 THR 8 1HG2 THR 8 -13.069 17.551 15.449 35 HG22 THR 8 2HG2 THR 8 -11.539 18.368 15.129 36 HG23 THR 8 3HG2 THR 8 -11.552 16.659 15.565 37 H GLU 9 H GLU 9 -11.579 13.611 13.587 38 HA GLU 9 HA GLU 9 -12.195 13.009 10.794 39 HB2 GLU 9 1HB GLU 9 -11.873 11.143 13.151 40 HB3 GLU 9 2HB GLU 9 -12.065 10.659 11.472 41 HG2 GLU 9 1HG GLU 9 -9.935 11.270 10.903 42 HG3 GLU 9 2HG GLU 9 -9.815 12.465 12.193 43 H ASP 10 H ASP 10 -14.087 14.582 12.133 44 HA ASP 10 HA ASP 10 -16.283 12.747 12.759 45 HB2 ASP 10 1HB ASP 10 -15.871 14.562 14.359 46 HB3 ASP 10 2HB ASP 10 -16.096 15.750 13.078 47 H SER 11 H SER 11 -15.603 15.588 10.726 48 HA SER 11 HA SER 11 -17.789 14.721 8.948 49 HB2 SER 11 1HB SER 11 -18.104 16.943 10.102 50 HB3 SER 11 2HB SER 11 -16.705 17.533 9.204 51 HG SER 11 HG SER 11 -18.224 16.448 7.406 52 H LEU 12 H LEU 12 -15.842 13.319 8.241 53 HA LEU 12 HA LEU 12 -13.881 14.654 6.602 54 HB2 LEU 12 1HB LEU 12 -14.496 11.818 7.304 55 HB3 LEU 12 2HB LEU 12 -13.450 12.166 5.929 56 HG LEU 12 HG LEU 12 -12.881 13.246 8.676 57 HD11 LEU 12 1HD1 LEU 12 -12.716 11.060 9.258 58 HD12 LEU 12 2HD1 LEU 12 -11.135 11.245 8.498 59 HD13 LEU 12 3HD1 LEU 12 -12.467 10.519 7.598 60 HD21 LEU 12 1HD2 LEU 12 -11.197 14.238 7.631 61 HD22 LEU 12 2HD2 LEU 12 -11.710 13.535 6.097 62 HD23 LEU 12 3HD2 LEU 12 -10.581 12.662 7.135 63 H MET 13 H MET 13 -13.647 14.403 4.337 64 HA MET 13 HA MET 13 -16.155 14.433 2.927 65 HB2 MET 13 1HB MET 13 -14.813 15.971 1.928 66 HB3 MET 13 2HB MET 13 -13.338 15.097 2.321 67 HG2 MET 13 1HG MET 13 -13.747 13.542 0.505 68 HG3 MET 13 2HG MET 13 -15.264 14.358 0.131 69 HE1 MET 13 1HE MET 13 -14.201 17.722 0.196 70 HE2 MET 13 2HE MET 13 -14.449 17.525 -1.539 71 HE3 MET 13 3HE MET 13 -15.502 16.688 -0.397 72 HA PRO 14 HA PRO 14 -16.240 10.191 1.737 73 HB2 PRO 14 1HB PRO 14 -17.882 10.402 -0.414 74 HB3 PRO 14 2HB PRO 14 -18.460 10.532 1.251 75 HG2 PRO 14 1HG PRO 14 -17.831 12.704 -0.711 76 HG3 PRO 14 2HG PRO 14 -19.203 12.567 0.405 77 HD2 PRO 14 1HD PRO 14 -17.051 14.126 0.927 78 HD3 PRO 14 2HD PRO 14 -17.974 13.312 2.207 79 H GLU 15 H GLU 15 -16.301 9.013 -0.602 80 HA GLU 15 HA GLU 15 -13.736 9.675 -1.779 81 HB2 GLU 15 1HB GLU 15 -14.637 7.311 -1.186 82 HB3 GLU 15 2HB GLU 15 -15.514 7.440 -2.704 83 HG2 GLU 15 1HG GLU 15 -13.303 7.910 -3.810 84 HG3 GLU 15 2HG GLU 15 -12.540 7.462 -2.286 85 H GLU 16 H GLU 16 -17.038 9.100 -2.999 86 HA GLU 16 HA GLU 16 -16.865 9.588 -5.616 87 HB2 GLU 16 1HB GLU 16 -18.887 10.490 -3.609 88 HB3 GLU 16 2HB GLU 16 -19.036 11.048 -5.269 89 HG2 GLU 16 1HG GLU 16 -19.174 8.785 -6.070 90 HG3 GLU 16 2HG GLU 16 -18.872 8.158 -4.451 91 H GLU 17 H GLU 17 -17.480 12.333 -3.420 92 HA GLU 17 HA GLU 17 -16.895 14.329 -5.276 93 HB2 GLU 17 1HB GLU 17 -16.639 14.410 -2.264 94 HB3 GLU 17 2HB GLU 17 -16.636 15.820 -3.313 95 HG2 GLU 17 1HG GLU 17 -18.897 15.400 -3.987 96 HG3 GLU 17 2HG GLU 17 -18.915 13.867 -3.116 97 H PHE 18 H PHE 18 -14.817 13.221 -2.593 98 HA PHE 18 HA PHE 18 -12.553 14.593 -2.966 99 HB2 PHE 18 1HB PHE 18 -12.893 12.710 -1.338 100 HB3 PHE 18 2HB PHE 18 -12.530 11.588 -2.645 101 HD1 PHE 18 2HD PHE 18 -11.037 14.703 -1.221 102 HD2 PHE 18 1HD PHE 18 -10.411 10.736 -2.630 103 HE1 PHE 18 2HE PHE 18 -8.637 14.909 -0.724 104 HE2 PHE 18 1HE PHE 18 -8.009 10.935 -2.134 105 HZ PHE 18 HZ PHE 18 -7.119 13.024 -1.181 106 H LEU 19 H LEU 19 -13.167 11.552 -4.729 107 HA LEU 19 HA LEU 19 -11.000 11.526 -6.395 108 HB2 LEU 19 1HB LEU 19 -13.837 10.764 -7.069 109 HB3 LEU 19 2HB LEU 19 -12.422 10.312 -8.017 110 HG LEU 19 HG LEU 19 -13.040 9.434 -5.197 111 HD11 LEU 19 1HD1 LEU 19 -14.070 8.487 -7.563 112 HD12 LEU 19 2HD1 LEU 19 -13.965 7.592 -6.047 113 HD13 LEU 19 3HD1 LEU 19 -12.702 7.414 -7.264 114 HD21 LEU 19 1HD2 LEU 19 -11.067 8.038 -5.380 115 HD22 LEU 19 2HD2 LEU 19 -10.631 9.734 -5.587 116 HD23 LEU 19 3HD2 LEU 19 -10.739 8.673 -6.992 117 H ARG 20 H ARG 20 -13.956 13.413 -6.748 118 HA ARG 20 HA ARG 20 -13.381 14.402 -9.346 119 HB2 ARG 20 1HB ARG 20 -15.152 15.547 -7.179 120 HB3 ARG 20 2HB ARG 20 -15.137 16.071 -8.857 121 HG2 ARG 20 1HG ARG 20 -15.960 13.948 -9.594 122 HG3 ARG 20 2HG ARG 20 -15.800 13.273 -7.971 123 HD2 ARG 20 1HD ARG 20 -18.081 13.772 -8.193 124 HD3 ARG 20 2HD ARG 20 -17.420 15.095 -7.234 125 HE ARG 20 HE ARG 20 -17.898 16.541 -8.950 126 HH11 ARG 20 2HH1 ARG 20 -18.148 13.262 -10.093 127 HH12 ARG 20 1HH1 ARG 20 -18.849 13.708 -11.614 128 HH21 ARG 20 2HH2 ARG 20 -18.820 17.140 -10.949 129 HH22 ARG 20 1HH2 ARG 20 -19.230 15.914 -12.100 130 H ARG 21 H ARG 21 -12.420 15.340 -6.142 131 HA ARG 21 HA ARG 21 -11.406 17.917 -7.024 132 HB2 ARG 21 1HB ARG 21 -11.771 16.550 -4.408 133 HB3 ARG 21 2HB ARG 21 -10.490 17.750 -4.519 134 HG2 ARG 21 1HG ARG 21 -12.197 19.364 -5.383 135 HG3 ARG 21 2HG ARG 21 -13.429 18.158 -5.005 136 HD2 ARG 21 1HD ARG 21 -13.452 19.424 -3.089 137 HD3 ARG 21 2HD ARG 21 -12.291 18.172 -2.651 138 HE ARG 21 HE ARG 21 -10.643 19.763 -2.597 139 HH11 ARG 21 2HH1 ARG 21 -13.443 21.060 -4.209 140 HH12 ARG 21 1HH1 ARG 21 -12.821 22.676 -4.270 141 HH21 ARG 21 2HH2 ARG 21 -9.813 21.887 -2.671 142 HH22 ARG 21 1HH2 ARG 21 -10.756 23.145 -3.396 143 H ASN 22 H ASN 22 -9.975 15.138 -5.297 144 HA ASN 22 HA ASN 22 -7.346 15.884 -6.307 145 HB2 ASN 22 1HB ASN 22 -8.210 13.755 -4.338 146 HB3 ASN 22 2HB ASN 22 -6.538 14.073 -4.791 147 HD21 ASN 22 1HD2 ASN 22 -9.364 16.004 -3.840 148 HD22 ASN 22 2HD2 ASN 22 -8.530 16.946 -2.656 149 H LYS 23 H LYS 23 -7.168 15.286 -8.406 150 HA LYS 23 HA LYS 23 -8.098 12.691 -9.299 151 HB2 LYS 23 1HB LYS 23 -8.158 14.906 -10.632 152 HB3 LYS 23 2HB LYS 23 -6.452 14.606 -10.933 153 HG2 LYS 23 1HG LYS 23 -6.916 12.611 -12.116 154 HG3 LYS 23 2HG LYS 23 -8.599 12.608 -11.585 155 HD2 LYS 23 1HD LYS 23 -9.093 14.531 -12.921 156 HD3 LYS 23 2HD LYS 23 -7.386 14.766 -13.306 157 HE2 LYS 23 1HE LYS 23 -7.402 12.564 -14.455 158 HE3 LYS 23 2HE LYS 23 -9.137 12.464 -14.162 159 HZ1 LYS 23 1HZ LYS 23 -8.094 14.850 -15.502 160 HZ2 LYS 23 2HZ LYS 23 -9.585 14.073 -15.690 161 HZ3 LYS 23 3HZ LYS 23 -8.194 13.416 -16.394 162 H GLY 24 H GLY 24 -5.180 14.121 -8.166 163 HA2 GLY 24 1HA GLY 24 -3.127 13.186 -7.718 164 HA3 GLY 24 2HA GLY 24 -3.831 11.622 -8.100 165 HA PRO 25 HA PRO 25 -2.483 10.227 -8.420 166 HB2 PRO 25 1HB PRO 25 0.127 9.518 -8.654 167 HB3 PRO 25 2HB PRO 25 -1.129 8.939 -9.756 168 HG2 PRO 25 1HG PRO 25 0.840 11.164 -10.129 169 HG3 PRO 25 2HG PRO 25 0.330 9.916 -11.281 170 HD2 PRO 25 1HD PRO 25 -0.648 12.440 -11.340 171 HD3 PRO 25 2HD PRO 25 -1.614 11.031 -11.821 172 H VAL 26 H VAL 26 -1.707 10.109 -6.308 173 HA VAL 26 HA VAL 26 -0.342 12.534 -5.369 174 HB VAL 26 HB VAL 26 -1.208 11.961 -3.138 175 HG11 VAL 26 1HG1 VAL 26 -2.696 13.416 -4.027 176 HG12 VAL 26 2HG1 VAL 26 -2.953 12.439 -5.475 177 HG13 VAL 26 3HG1 VAL 26 -3.757 12.009 -3.964 178 HG21 VAL 26 1HG2 VAL 26 -2.896 10.165 -2.928 179 HG22 VAL 26 2HG2 VAL 26 -2.522 9.656 -4.575 180 HG23 VAL 26 3HG2 VAL 26 -1.289 9.553 -3.319 181 H SER 27 H SER 27 1.601 12.454 -4.403 182 HA SER 27 HA SER 27 2.964 9.881 -4.320 183 HB2 SER 27 1HB SER 27 4.161 11.690 -5.396 184 HB3 SER 27 2HB SER 27 3.977 12.712 -3.971 185 HG SER 27 HG SER 27 5.753 10.657 -4.461 186 H ILE 28 H ILE 28 3.725 8.905 -2.502 187 HA ILE 28 HA ILE 28 3.140 10.216 0.071 188 HB ILE 28 HB ILE 28 2.599 8.005 1.016 189 HG12 ILE 28 1HG1 ILE 28 2.410 6.932 -1.784 190 HG13 ILE 28 2HG1 ILE 28 3.922 6.827 -0.889 191 HG21 ILE 28 1HG2 ILE 28 0.582 8.888 0.608 192 HG22 ILE 28 2HG2 ILE 28 1.027 9.391 -1.022 193 HG23 ILE 28 3HG2 ILE 28 0.513 7.731 -0.722 194 HD11 ILE 28 1HD1 ILE 28 2.132 5.851 0.917 195 HD12 ILE 28 2HD1 ILE 28 1.465 5.283 -0.614 196 HD13 ILE 28 3HD1 ILE 28 3.123 4.877 -0.170 197 H LYS 29 H LYS 29 4.391 9.299 1.904 198 HA LYS 29 HA LYS 29 7.022 8.292 1.047 199 HB2 LYS 29 1HB LYS 29 6.736 10.819 1.818 200 HB3 LYS 29 2HB LYS 29 6.835 10.093 3.417 201 HG2 LYS 29 1HG LYS 29 8.951 8.915 2.342 202 HG3 LYS 29 2HG LYS 29 8.906 10.348 1.312 203 HD2 LYS 29 1HD LYS 29 8.906 11.767 3.324 204 HD3 LYS 29 2HD LYS 29 9.003 10.320 4.330 205 HE2 LYS 29 1HE LYS 29 11.216 10.990 4.199 206 HE3 LYS 29 2HE LYS 29 11.108 9.781 2.920 207 HZ1 LYS 29 1HZ LYS 29 12.194 11.524 1.901 208 HZ2 LYS 29 2HZ LYS 29 11.279 12.712 2.684 209 HZ3 LYS 29 3HZ LYS 29 10.590 11.800 1.436 210 H VAL 30 H VAL 30 7.382 6.360 1.896 211 HA VAL 30 HA VAL 30 5.966 5.536 4.306 212 HB VAL 30 HB VAL 30 7.743 3.952 2.444 213 HG11 VAL 30 1HG1 VAL 30 6.392 3.290 4.998 214 HG12 VAL 30 2HG1 VAL 30 6.347 2.077 3.717 215 HG13 VAL 30 3HG1 VAL 30 7.896 2.672 4.317 216 HG21 VAL 30 1HG2 VAL 30 5.327 2.879 2.114 217 HG22 VAL 30 2HG2 VAL 30 4.835 4.521 2.528 218 HG23 VAL 30 3HG2 VAL 30 5.896 4.240 1.148 219 H GLN 31 H GLN 31 6.896 6.123 6.162 220 HA GLN 31 HA GLN 31 9.722 6.497 6.432 221 HB2 GLN 31 1HB GLN 31 7.829 7.714 7.689 222 HB3 GLN 31 2HB GLN 31 7.784 6.293 8.723 223 HG2 GLN 31 1HG GLN 31 9.139 8.105 9.664 224 HG3 GLN 31 2HG GLN 31 10.075 6.639 9.376 225 HE21 GLN 31 1HE2 GLN 31 12.055 7.515 9.125 226 HE22 GLN 31 2HE2 GLN 31 12.480 8.616 7.864 227 H VAL 32 H VAL 32 10.924 4.687 6.243 228 HA VAL 32 HA VAL 32 10.103 2.203 7.480 229 HB VAL 32 HB VAL 32 12.705 2.842 6.086 230 HG11 VAL 32 1HG1 VAL 32 11.794 0.114 5.922 231 HG12 VAL 32 2HG1 VAL 32 13.327 0.751 6.520 232 HG13 VAL 32 3HG1 VAL 32 11.941 0.625 7.604 233 HG21 VAL 32 1HG2 VAL 32 10.021 2.385 5.053 234 HG22 VAL 32 2HG2 VAL 32 11.455 3.010 4.240 235 HG23 VAL 32 3HG2 VAL 32 11.215 1.270 4.389 236 HA PRO 33 HA PRO 33 12.164 3.427 11.280 237 HB2 PRO 33 1HB PRO 33 11.277 1.302 12.717 238 HB3 PRO 33 2HB PRO 33 10.276 2.719 12.380 239 HG2 PRO 33 1HG PRO 33 10.316 0.058 11.009 240 HG3 PRO 33 2HG PRO 33 8.925 1.048 11.491 241 HD2 PRO 33 1HD PRO 33 9.850 0.977 8.948 242 HD3 PRO 33 2HD PRO 33 9.110 2.427 9.654 243 H ASN 34 H ASN 34 13.821 2.502 12.624 244 HA ASN 34 HA ASN 34 15.542 0.697 11.147 245 HB2 ASN 34 1HB ASN 34 16.877 2.341 12.021 246 HB3 ASN 34 2HB ASN 34 15.862 2.559 13.443 247 HD21 ASN 34 1HD2 ASN 34 17.328 2.378 15.027 248 HD22 ASN 34 2HD2 ASN 34 18.298 0.977 15.312 249 H MET 35 H MET 35 14.753 -1.356 11.296 250 HA MET 35 HA MET 35 13.700 -2.495 13.667 251 HB2 MET 35 1HB MET 35 13.189 -3.319 11.383 252 HB3 MET 35 2HB MET 35 14.841 -3.905 11.249 253 HG2 MET 35 1HG MET 35 13.133 -5.634 11.826 254 HG3 MET 35 2HG MET 35 14.503 -5.529 12.929 255 HE1 MET 35 1HE MET 35 10.721 -3.267 13.497 256 HE2 MET 35 2HE MET 35 11.227 -4.134 12.048 257 HE3 MET 35 3HE MET 35 10.216 -4.939 13.249 258 H GLN 36 H GLN 36 15.092 -2.317 15.384 259 HA GLN 36 HA GLN 36 17.852 -3.058 15.208 260 HB2 GLN 36 1HB GLN 36 16.793 -1.382 16.829 261 HB3 GLN 36 2HB GLN 36 16.268 -2.782 17.754 262 HG2 GLN 36 1HG GLN 36 18.598 -3.489 17.996 263 HG3 GLN 36 2HG GLN 36 19.115 -2.068 17.091 264 HE21 GLN 36 1HE2 GLN 36 19.930 -0.589 18.372 265 HE22 GLN 36 2HE2 GLN 36 19.362 -0.174 19.950 266 H ASP 37 H ASP 37 15.066 -4.851 15.294 267 HA ASP 37 HA ASP 37 15.926 -6.976 17.020 268 HB2 ASP 37 1HB ASP 37 13.525 -6.443 16.546 269 HB3 ASP 37 2HB ASP 37 13.764 -7.042 14.907 270 H LYS 38 H LYS 38 16.514 -6.084 13.771 271 HA LYS 38 HA LYS 38 17.789 -7.011 12.130 272 HB2 LYS 38 1HB LYS 38 18.536 -9.125 14.155 273 HB3 LYS 38 2HB LYS 38 19.423 -8.687 12.701 274 HG2 LYS 38 1HG LYS 38 18.944 -6.742 14.937 275 HG3 LYS 38 2HG LYS 38 20.334 -7.831 14.902 276 HD2 LYS 38 1HD LYS 38 20.702 -6.864 12.518 277 HD3 LYS 38 2HD LYS 38 19.663 -5.552 13.079 278 HE2 LYS 38 1HE LYS 38 22.034 -6.451 14.680 279 HE3 LYS 38 2HE LYS 38 22.214 -5.309 13.349 280 HZ1 LYS 38 1HZ LYS 38 20.211 -4.184 14.667 281 HZ2 LYS 38 2HZ LYS 38 21.834 -3.831 14.987 282 HZ3 LYS 38 3HZ LYS 38 21.000 -4.933 15.963 283 H THR 39 H THR 39 15.070 -7.675 12.265 284 HA THR 39 HA THR 39 14.701 -10.492 11.893 285 HB THR 39 HB THR 39 12.879 -9.035 12.711 286 HG1 THR 39 1HG THR 39 11.383 -9.818 10.812 287 HG21 THR 39 1HG2 THR 39 13.609 -7.286 10.786 288 HG22 THR 39 2HG2 THR 39 12.027 -7.279 11.565 289 HG23 THR 39 3HG2 THR 39 12.236 -8.064 10.000 290 H GLU 40 H GLU 40 13.215 -10.906 9.735 291 HA GLU 40 HA GLU 40 15.127 -10.648 7.578 292 HB2 GLU 40 1HB GLU 40 13.779 -12.234 6.399 293 HB3 GLU 40 2HB GLU 40 13.902 -12.777 8.066 294 HG2 GLU 40 1HG GLU 40 11.575 -11.099 7.306 295 HG3 GLU 40 2HG GLU 40 11.611 -12.778 6.770 296 H TRP 41 H TRP 41 13.782 -8.239 8.495 297 HA TRP 41 HA TRP 41 12.285 -7.543 6.052 298 HB2 TRP 41 1HB TRP 41 12.063 -6.314 8.809 299 HB3 TRP 41 2HB TRP 41 11.171 -5.790 7.384 300 HD1 TRP 41 HD TRP 41 10.908 -9.193 6.737 301 HE1 TRP 41 1HE TRP 41 8.876 -10.318 7.847 302 HE3 TRP 41 3HE TRP 41 9.841 -5.645 10.259 303 HZ2 TRP 41 2HZ TRP 41 7.061 -9.773 9.939 304 HZ3 TRP 41 3HZ TRP 41 7.940 -6.023 11.776 305 HH2 TRP 41 HH TRP 41 6.580 -8.045 11.617 306 H LYS 42 H LYS 42 13.153 -6.059 4.759 307 HA LYS 42 HA LYS 42 15.699 -4.929 5.315 308 HB2 LYS 42 1HB LYS 42 13.691 -4.544 3.107 309 HB3 LYS 42 2HB LYS 42 15.165 -3.588 3.180 310 HG2 LYS 42 1HG LYS 42 16.289 -5.961 3.396 311 HG3 LYS 42 2HG LYS 42 14.801 -6.478 2.600 312 HD2 LYS 42 1HD LYS 42 15.262 -4.666 0.883 313 HD3 LYS 42 2HD LYS 42 16.869 -4.533 1.601 314 HE2 LYS 42 1HE LYS 42 17.450 -6.715 0.971 315 HE3 LYS 42 2HE LYS 42 15.773 -7.168 0.672 316 HZ1 LYS 42 1HZ LYS 42 16.215 -6.732 -1.449 317 HZ2 LYS 42 2HZ LYS 42 17.666 -5.942 -1.089 318 HZ3 LYS 42 3HZ LYS 42 16.205 -5.092 -1.033 319 H LEU 43 H LEU 43 14.960 -3.931 7.402 320 HA LEU 43 HA LEU 43 13.911 -1.222 6.905 321 HB2 LEU 43 1HB LEU 43 13.664 -2.759 9.481 322 HB3 LEU 43 2HB LEU 43 12.904 -1.223 9.071 323 HG LEU 43 HG LEU 43 12.261 -3.779 7.621 324 HD11 LEU 43 1HD1 LEU 43 10.394 -4.108 9.066 325 HD12 LEU 43 2HD1 LEU 43 10.734 -2.615 9.941 326 HD13 LEU 43 3HD1 LEU 43 11.837 -3.985 10.074 327 HD21 LEU 43 1HD2 LEU 43 10.921 -1.093 7.873 328 HD22 LEU 43 2HD2 LEU 43 10.151 -2.511 7.161 329 HD23 LEU 43 3HD2 LEU 43 11.600 -1.828 6.421 330 H ASN 44 H ASN 44 15.714 -0.005 6.820 331 HA ASN 44 HA ASN 44 17.441 -0.017 9.195 332 HB2 ASN 44 1HB ASN 44 18.393 -1.169 7.028 333 HB3 ASN 44 2HB ASN 44 18.658 0.492 6.507 334 HD21 ASN 44 1HD2 ASN 44 20.732 0.911 6.734 335 HD22 ASN 44 2HD2 ASN 44 21.690 0.569 8.131 336 H GLY 45 H GLY 45 15.879 1.782 9.632 337 HA2 GLY 45 1HA GLY 45 15.197 4.006 9.468 338 HA3 GLY 45 2HA GLY 45 16.926 4.230 9.692 339 H GLN 46 H GLN 46 14.337 4.058 7.327 340 HA GLN 46 HA GLN 46 15.753 5.911 5.626 341 HB2 GLN 46 1HB GLN 46 15.559 4.477 3.606 342 HB3 GLN 46 2HB GLN 46 16.693 3.850 4.796 343 HG2 GLN 46 1HG GLN 46 14.860 2.346 5.607 344 HG3 GLN 46 2HG GLN 46 13.913 2.868 4.215 345 HE21 GLN 46 1HE2 GLN 46 13.870 0.712 3.479 346 HE22 GLN 46 2HE2 GLN 46 15.241 0.006 2.700 347 H GLY 47 H GLY 47 14.333 6.145 3.478 348 HA2 GLY 47 1HA GLY 47 11.485 5.967 4.184 349 HA3 GLY 47 2HA GLY 47 12.162 7.535 3.768 350 H LEU 48 H LEU 48 10.203 5.429 2.532 351 HA LEU 48 HA LEU 48 11.388 5.438 -0.163 352 HB2 LEU 48 1HB LEU 48 9.124 3.740 0.872 353 HB3 LEU 48 2HB LEU 48 9.897 3.614 -0.706 354 HG LEU 48 HG LEU 48 11.241 3.034 1.932 355 HD11 LEU 48 1HD1 LEU 48 10.995 0.733 1.455 356 HD12 LEU 48 2HD1 LEU 48 10.386 1.059 -0.168 357 HD13 LEU 48 3HD1 LEU 48 9.400 1.453 1.240 358 HD21 LEU 48 1HD2 LEU 48 12.808 3.789 0.247 359 HD22 LEU 48 2HD2 LEU 48 12.145 2.645 -0.920 360 HD23 LEU 48 3HD2 LEU 48 12.996 2.055 0.509 361 H VAL 49 H VAL 49 9.941 5.842 -1.968 362 HA VAL 49 HA VAL 49 7.543 7.393 -1.286 363 HB VAL 49 HB VAL 49 9.684 8.301 -3.214 364 HG11 VAL 49 1HG1 VAL 49 7.187 8.718 -3.762 365 HG12 VAL 49 2HG1 VAL 49 7.271 9.899 -2.453 366 HG13 VAL 49 3HG1 VAL 49 8.324 10.062 -3.860 367 HG21 VAL 49 1HG2 VAL 49 8.751 9.484 -0.601 368 HG22 VAL 49 2HG2 VAL 49 10.288 8.664 -0.877 369 HG23 VAL 49 3HG2 VAL 49 9.947 10.194 -1.685 370 H PHE 50 H PHE 50 5.849 7.125 -2.649 371 HA PHE 50 HA PHE 50 6.265 5.869 -5.246 372 HB2 PHE 50 1HB PHE 50 4.233 4.700 -3.354 373 HB3 PHE 50 2HB PHE 50 4.828 4.028 -4.868 374 HD1 PHE 50 1HD PHE 50 7.530 3.759 -4.835 375 HD2 PHE 50 2HD PHE 50 4.944 3.648 -1.456 376 HE1 PHE 50 1HE PHE 50 9.209 2.454 -3.598 377 HE2 PHE 50 2HE PHE 50 6.619 2.344 -0.213 378 HZ PHE 50 HZ PHE 50 8.755 1.746 -1.283 379 H THR 51 H THR 51 4.981 6.737 -6.742 380 HA THR 51 HA THR 51 2.791 8.472 -5.841 381 HB THR 51 HB THR 51 4.155 8.385 -8.540 382 HG1 THR 51 1HG THR 51 5.553 9.726 -7.694 383 HG21 THR 51 1HG2 THR 51 1.919 10.000 -7.400 384 HG22 THR 51 2HG2 THR 51 2.112 9.332 -9.021 385 HG23 THR 51 3HG2 THR 51 3.027 10.761 -8.541 386 H LEU 52 H LEU 52 0.806 7.675 -5.963 387 HA LEU 52 HA LEU 52 0.015 6.137 -8.313 388 HB2 LEU 52 1HB LEU 52 -0.665 5.176 -5.546 389 HB3 LEU 52 2HB LEU 52 -0.959 4.358 -7.079 390 HG LEU 52 HG LEU 52 1.765 4.842 -5.874 391 HD11 LEU 52 1HD1 LEU 52 1.292 3.129 -4.540 392 HD12 LEU 52 2HD1 LEU 52 1.265 2.118 -5.984 393 HD13 LEU 52 3HD1 LEU 52 -0.233 2.812 -5.367 394 HD21 LEU 52 1HD2 LEU 52 1.284 2.815 -7.970 395 HD22 LEU 52 2HD2 LEU 52 2.680 3.857 -7.694 396 HD23 LEU 52 3HD2 LEU 52 1.238 4.504 -8.477 397 HA PRO 53 HA PRO 53 -3.602 8.620 -8.014 398 HB2 PRO 53 1HB PRO 53 -5.342 7.060 -9.395 399 HB3 PRO 53 2HB PRO 53 -4.048 7.977 -10.174 400 HG2 PRO 53 1HG PRO 53 -4.133 5.078 -9.433 401 HG3 PRO 53 2HG PRO 53 -3.531 5.836 -10.919 402 HD2 PRO 53 1HD PRO 53 -1.884 5.015 -8.933 403 HD3 PRO 53 2HD PRO 53 -1.519 6.418 -9.958 404 H LEU 54 H LEU 54 -5.947 8.471 -7.381 405 HA LEU 54 HA LEU 54 -6.170 6.804 -4.999 406 HB2 LEU 54 1HB LEU 54 -7.604 9.226 -6.015 407 HB3 LEU 54 2HB LEU 54 -8.321 8.233 -4.748 408 HG LEU 54 HG LEU 54 -7.203 10.132 -3.769 409 HD11 LEU 54 1HD1 LEU 54 -5.167 8.343 -2.893 410 HD12 LEU 54 2HD1 LEU 54 -6.656 7.433 -3.145 411 HD13 LEU 54 3HD1 LEU 54 -6.648 8.828 -2.067 412 HD21 LEU 54 1HD2 LEU 54 -4.852 9.178 -5.378 413 HD22 LEU 54 2HD2 LEU 54 -4.667 10.232 -3.975 414 HD23 LEU 54 3HD2 LEU 54 -5.606 10.773 -5.368 415 H THR 55 H THR 55 -6.558 4.796 -6.028 416 HA THR 55 HA THR 55 -9.300 4.534 -7.072 417 HB THR 55 HB THR 55 -8.338 2.525 -8.387 418 HG1 THR 55 1HG THR 55 -6.013 3.940 -7.628 419 HG21 THR 55 1HG2 THR 55 -8.959 5.052 -9.110 420 HG22 THR 55 2HG2 THR 55 -8.410 3.817 -10.244 421 HG23 THR 55 3HG2 THR 55 -7.266 4.993 -9.599 422 H ASP 56 H ASP 56 -6.643 2.355 -6.111 423 HA ASP 56 HA ASP 56 -8.462 0.521 -4.872 424 HB2 ASP 56 1HB ASP 56 -5.481 0.682 -5.160 425 HB3 ASP 56 2HB ASP 56 -6.192 -0.470 -4.033 426 H GLN 57 H GLN 57 -7.432 -0.313 -2.571 427 HA GLN 57 HA GLN 57 -7.841 1.984 -0.802 428 HB2 GLN 57 1HB GLN 57 -7.957 -0.983 -0.234 429 HB3 GLN 57 2HB GLN 57 -8.268 0.283 0.946 430 HG2 GLN 57 1HG GLN 57 -10.296 0.820 0.049 431 HG3 GLN 57 2HG GLN 57 -9.847 0.281 -1.569 432 HE21 GLN 57 1HE2 GLN 57 -9.811 -1.983 -1.995 433 HE22 GLN 57 2HE2 GLN 57 -10.795 -3.062 -1.073 434 H VAL 58 H VAL 58 -6.683 1.475 1.466 435 HA VAL 58 HA VAL 58 -3.984 2.046 1.117 436 HB VAL 58 HB VAL 58 -5.335 0.855 3.543 437 HG11 VAL 58 1HG1 VAL 58 -2.934 0.536 3.662 438 HG12 VAL 58 2HG1 VAL 58 -2.667 2.238 3.280 439 HG13 VAL 58 3HG1 VAL 58 -3.436 1.784 4.801 440 HG21 VAL 58 1HG2 VAL 58 -6.413 2.860 3.284 441 HG22 VAL 58 2HG2 VAL 58 -5.018 3.375 4.232 442 HG23 VAL 58 3HG2 VAL 58 -5.037 3.623 2.486 443 H SER 59 H SER 59 -5.610 -0.972 1.035 444 HA SER 59 HA SER 59 -3.707 -2.775 1.901 445 HB2 SER 59 1HB SER 59 -4.769 -4.407 0.414 446 HB3 SER 59 2HB SER 59 -5.990 -3.406 1.200 447 HG SER 59 HG SER 59 -6.136 -2.190 -0.713 448 H VAL 60 H VAL 60 -3.886 -1.030 -1.144 449 HA VAL 60 HA VAL 60 -1.837 -2.466 -2.480 450 HB VAL 60 HB VAL 60 -1.745 -0.520 -4.011 451 HG11 VAL 60 1HG1 VAL 60 -4.042 -0.719 -4.844 452 HG12 VAL 60 2HG1 VAL 60 -3.380 -2.287 -4.378 453 HG13 VAL 60 3HG1 VAL 60 -4.526 -1.463 -3.320 454 HG21 VAL 60 1HG2 VAL 60 -2.319 1.497 -3.283 455 HG22 VAL 60 2HG2 VAL 60 -3.990 0.953 -3.138 456 HG23 VAL 60 3HG2 VAL 60 -2.895 0.814 -1.763 457 H ILE 61 H ILE 61 -1.802 -0.040 -0.047 458 HA ILE 61 HA ILE 61 0.781 1.034 -0.589 459 HB ILE 61 HB ILE 61 -0.757 1.012 2.011 460 HG12 ILE 61 1HG1 ILE 61 -0.643 3.033 -0.237 461 HG13 ILE 61 2HG1 ILE 61 -2.046 2.097 0.269 462 HG21 ILE 61 1HG2 ILE 61 0.750 3.229 2.119 463 HG22 ILE 61 2HG2 ILE 61 1.265 1.674 2.771 464 HG23 ILE 61 3HG2 ILE 61 1.818 2.189 1.177 465 HD11 ILE 61 1HD1 ILE 61 -2.610 3.816 1.541 466 HD12 ILE 61 2HD1 ILE 61 -1.219 3.439 2.558 467 HD13 ILE 61 3HD1 ILE 61 -1.064 4.614 1.252 468 H LYS 62 H LYS 62 -0.384 -1.783 1.054 469 HA LYS 62 HA LYS 62 2.041 -2.261 2.531 470 HB2 LYS 62 1HB LYS 62 -0.493 -3.798 2.062 471 HB3 LYS 62 2HB LYS 62 0.903 -4.595 2.778 472 HG2 LYS 62 1HG LYS 62 0.823 -3.294 4.696 473 HG3 LYS 62 2HG LYS 62 -0.137 -2.033 3.919 474 HD2 LYS 62 1HD LYS 62 -1.993 -3.742 3.735 475 HD3 LYS 62 2HD LYS 62 -1.033 -4.770 4.800 476 HE2 LYS 62 1HE LYS 62 -0.979 -2.722 6.363 477 HE3 LYS 62 2HE LYS 62 -2.317 -2.123 5.384 478 HZ1 LYS 62 1HZ LYS 62 -3.723 -3.699 6.171 479 HZ2 LYS 62 2HZ LYS 62 -2.702 -3.601 7.516 480 HZ3 LYS 62 3HZ LYS 62 -2.509 -4.856 6.398 481 H VAL 63 H VAL 63 0.433 -3.939 -0.178 482 HA VAL 63 HA VAL 63 2.325 -5.810 -0.792 483 HB VAL 63 HB VAL 63 0.055 -5.261 -1.951 484 HG11 VAL 63 1HG1 VAL 63 0.660 -3.084 -2.819 485 HG12 VAL 63 2HG1 VAL 63 2.002 -3.788 -3.723 486 HG13 VAL 63 3HG1 VAL 63 0.339 -4.191 -4.153 487 HG21 VAL 63 1HG2 VAL 63 0.665 -6.652 -3.834 488 HG22 VAL 63 2HG2 VAL 63 2.374 -6.300 -3.578 489 HG23 VAL 63 3HG2 VAL 63 1.478 -7.234 -2.381 490 H LYS 64 H LYS 64 2.388 -2.379 -1.540 491 HA LYS 64 HA LYS 64 4.521 -2.375 -3.361 492 HB2 LYS 64 1HB LYS 64 3.687 -0.246 -1.382 493 HB3 LYS 64 2HB LYS 64 4.794 0.006 -2.725 494 HG2 LYS 64 1HG LYS 64 2.128 -1.118 -3.357 495 HG3 LYS 64 2HG LYS 64 2.208 0.579 -2.876 496 HD2 LYS 64 1HD LYS 64 2.555 0.867 -5.098 497 HD3 LYS 64 2HD LYS 64 4.225 0.534 -4.635 498 HE2 LYS 64 1HE LYS 64 3.748 -0.816 -6.529 499 HE3 LYS 64 2HE LYS 64 3.771 -1.887 -5.129 500 HZ1 LYS 64 1HZ LYS 64 1.515 -1.054 -6.796 501 HZ2 LYS 64 2HZ LYS 64 1.218 -1.339 -5.155 502 HZ3 LYS 64 3HZ LYS 64 1.860 -2.568 -6.123 503 H ILE 65 H ILE 65 4.497 -2.017 0.172 504 HA ILE 65 HA ILE 65 7.222 -1.578 0.553 505 HB ILE 65 HB ILE 65 5.384 -3.101 2.404 506 HG12 ILE 65 1HG1 ILE 65 5.979 -0.138 2.382 507 HG13 ILE 65 2HG1 ILE 65 4.536 -0.847 1.667 508 HG21 ILE 65 1HG2 ILE 65 7.217 -3.330 3.644 509 HG22 ILE 65 2HG2 ILE 65 8.150 -2.285 2.574 510 HG23 ILE 65 3HG2 ILE 65 7.188 -1.582 3.874 511 HD11 ILE 65 1HD1 ILE 65 3.554 -1.175 3.660 512 HD12 ILE 65 2HD1 ILE 65 5.070 -1.578 4.466 513 HD13 ILE 65 3HD1 ILE 65 4.651 0.108 4.167 514 H HIS 66 H HIS 66 5.502 -4.678 0.986 515 HA HIS 66 HA HIS 66 7.632 -6.344 1.363 516 HB2 HIS 66 1HB HIS 66 5.291 -7.083 1.473 517 HB3 HIS 66 2HB HIS 66 5.164 -6.952 -0.278 518 HD1 HIS 66 1HD HIS 66 6.186 -8.834 -1.684 519 HD2 HIS 66 2HD HIS 66 6.752 -9.309 2.405 520 HE1 HIS 66 1HE HIS 66 7.020 -11.188 -1.390 521 HE2 HIS 66 2HE HIS 66 7.274 -11.480 1.099 522 H GLU 67 H GLU 67 6.570 -4.886 -1.630 523 HA GLU 67 HA GLU 67 7.943 -6.481 -3.464 524 HB2 GLU 67 1HB GLU 67 6.291 -4.391 -3.716 525 HB3 GLU 67 2HB GLU 67 7.817 -3.555 -3.968 526 HG2 GLU 67 1HG GLU 67 6.572 -5.727 -5.603 527 HG3 GLU 67 2HG GLU 67 7.120 -4.129 -6.108 528 H ALA 68 H ALA 68 8.988 -3.344 -2.119 529 HA ALA 68 HA ALA 68 11.670 -3.689 -3.078 530 HB1 ALA 68 1HB ALA 68 10.122 -1.539 -2.214 531 HB2 ALA 68 2HB ALA 68 11.424 -1.675 -1.031 532 HB3 ALA 68 3HB ALA 68 11.804 -1.497 -2.744 533 H THR 69 H THR 69 10.248 -3.506 0.189 534 HA THR 69 HA THR 69 12.685 -4.643 1.316 535 HB THR 69 HB THR 69 11.758 -4.139 3.488 536 HG1 THR 69 1HG THR 69 9.560 -4.652 3.018 537 HG21 THR 69 1HG2 THR 69 11.962 -1.859 3.388 538 HG22 THR 69 2HG2 THR 69 10.935 -1.720 1.961 539 HG23 THR 69 3HG2 THR 69 12.599 -2.281 1.799 540 H GLY 70 H GLY 70 12.597 -6.461 2.794 541 HA2 GLY 70 1HA GLY 70 10.886 -8.558 1.757 542 HA3 GLY 70 2HA GLY 70 12.197 -8.753 2.910 543 H MET 71 H MET 71 9.441 -6.555 3.159 544 HA MET 71 HA MET 71 8.697 -7.917 5.654 545 HB2 MET 71 1HB MET 71 9.300 -5.418 5.584 546 HB3 MET 71 2HB MET 71 7.742 -5.194 4.799 547 HG2 MET 71 1HG MET 71 6.579 -6.020 6.706 548 HG3 MET 71 2HG MET 71 8.083 -6.528 7.470 549 HE1 MET 71 1HE MET 71 7.950 -4.401 9.997 550 HE2 MET 71 2HE MET 71 6.322 -3.926 9.516 551 HE3 MET 71 3HE MET 71 6.849 -5.597 9.312 552 HA PRO 72 HA PRO 72 5.032 -9.444 3.726 553 HB2 PRO 72 1HB PRO 72 3.643 -10.047 5.980 554 HB3 PRO 72 2HB PRO 72 5.001 -11.018 5.399 555 HG2 PRO 72 1HG PRO 72 4.946 -8.930 7.543 556 HG3 PRO 72 2HG PRO 72 5.753 -10.509 7.540 557 HD2 PRO 72 1HD PRO 72 7.075 -8.197 7.054 558 HD3 PRO 72 2HD PRO 72 7.535 -9.737 6.299 559 H ALA 73 H ALA 73 2.711 -9.026 3.636 560 HA ALA 73 HA ALA 73 2.128 -6.216 4.210 561 HB1 ALA 73 1HB ALA 73 0.094 -6.767 2.706 562 HB2 ALA 73 2HB ALA 73 1.691 -6.619 1.971 563 HB3 ALA 73 3HB ALA 73 1.010 -8.215 2.285 564 H GLY 74 H GLY 74 2.093 -7.661 6.496 565 HA2 GLY 74 1HA GLY 74 -0.738 -7.549 7.207 566 HA3 GLY 74 2HA GLY 74 0.088 -9.076 7.481 567 H LYS 75 H LYS 75 2.047 -8.989 8.862 568 HA LYS 75 HA LYS 75 1.578 -8.087 11.376 569 HB2 LYS 75 1HB LYS 75 4.156 -8.548 9.907 570 HB3 LYS 75 2HB LYS 75 4.169 -7.994 11.577 571 HG2 LYS 75 1HG LYS 75 3.258 -9.962 12.376 572 HG3 LYS 75 2HG LYS 75 2.581 -10.405 10.807 573 HD2 LYS 75 1HD LYS 75 5.546 -10.206 11.204 574 HD3 LYS 75 2HD LYS 75 4.667 -11.666 11.664 575 HE2 LYS 75 1HE LYS 75 4.297 -10.481 8.943 576 HE3 LYS 75 2HE LYS 75 5.710 -11.476 9.287 577 HZ1 LYS 75 1HZ LYS 75 3.866 -13.068 10.239 578 HZ2 LYS 75 2HZ LYS 75 4.269 -13.069 8.596 579 HZ3 LYS 75 3HZ LYS 75 2.893 -12.242 9.129 580 H GLN 76 H GLN 76 3.049 -6.263 8.745 581 HA GLN 76 HA GLN 76 3.820 -4.017 10.280 582 HB2 GLN 76 1HB GLN 76 4.120 -2.883 8.175 583 HB3 GLN 76 2HB GLN 76 4.686 -4.539 8.008 584 HG2 GLN 76 1HG GLN 76 2.896 -5.154 6.672 585 HG3 GLN 76 2HG GLN 76 1.905 -3.798 7.208 586 HE21 GLN 76 1HE2 GLN 76 4.345 -4.877 5.027 587 HE22 GLN 76 2HE2 GLN 76 4.422 -3.444 4.064 588 H LYS 77 H LYS 77 2.854 -1.943 10.404 589 HA LYS 77 HA LYS 77 -0.042 -1.889 9.878 590 HB2 LYS 77 1HB LYS 77 0.830 -2.193 12.362 591 HB3 LYS 77 2HB LYS 77 1.053 -0.451 12.254 592 HG2 LYS 77 1HG LYS 77 -1.185 -0.028 12.167 593 HG3 LYS 77 2HG LYS 77 -1.562 -1.577 11.410 594 HD2 LYS 77 1HD LYS 77 -2.417 -1.712 13.606 595 HD3 LYS 77 2HD LYS 77 -0.922 -2.650 13.619 596 HE2 LYS 77 1HE LYS 77 0.221 -0.549 14.459 597 HE3 LYS 77 2HE LYS 77 -1.393 0.117 14.704 598 HZ1 LYS 77 1HZ LYS 77 -0.801 -0.796 16.750 599 HZ2 LYS 77 2HZ LYS 77 -0.138 -2.190 16.059 600 HZ3 LYS 77 3HZ LYS 77 -1.815 -1.966 16.067 601 H LEU 78 H LEU 78 -0.549 -0.289 8.548 602 HA LEU 78 HA LEU 78 1.312 1.898 8.120 603 HB2 LEU 78 1HB LEU 78 -1.331 1.379 6.774 604 HB3 LEU 78 2HB LEU 78 -0.062 2.474 6.232 605 HG LEU 78 HG LEU 78 0.167 -0.533 6.344 606 HD11 LEU 78 1HD1 LEU 78 0.308 -0.023 3.761 607 HD12 LEU 78 2HD1 LEU 78 -0.679 1.364 4.219 608 HD13 LEU 78 3HD1 LEU 78 -1.240 -0.271 4.568 609 HD21 LEU 78 1HD2 LEU 78 2.014 1.617 5.321 610 HD22 LEU 78 2HD2 LEU 78 2.198 -0.099 4.958 611 HD23 LEU 78 3HD2 LEU 78 2.319 0.468 6.624 612 H GLN 79 H GLN 79 0.814 4.087 8.362 613 HA GLN 79 HA GLN 79 -1.699 4.816 9.635 614 HB2 GLN 79 1HB GLN 79 0.165 4.181 11.362 615 HB3 GLN 79 2HB GLN 79 0.820 5.760 10.951 616 HG2 GLN 79 1HG GLN 79 -1.508 6.664 11.484 617 HG3 GLN 79 2HG GLN 79 -1.801 5.099 12.240 618 HE21 GLN 79 1HE2 GLN 79 -2.080 6.254 14.217 619 HE22 GLN 79 2HE2 GLN 79 -0.706 6.766 15.130 620 H TYR 80 H TYR 80 -2.375 6.808 9.070 621 HA TYR 80 HA TYR 80 -0.440 8.595 7.755 622 HB2 TYR 80 1HB TYR 80 -1.595 7.882 5.891 623 HB3 TYR 80 2HB TYR 80 -3.088 7.616 6.785 624 HD1 TYR 80 1HD TYR 80 -0.850 10.402 5.697 625 HD2 TYR 80 2HD TYR 80 -4.824 9.122 6.519 626 HE1 TYR 80 1HE TYR 80 -1.705 12.566 4.899 627 HE2 TYR 80 2HE TYR 80 -5.690 11.282 5.722 628 HH TYR 80 HH TYR 80 -4.052 13.941 5.474 629 H GLU 81 H GLU 81 -0.282 10.439 8.827 630 HA GLU 81 HA GLU 81 -0.780 12.270 10.080 631 HB2 GLU 81 1HB GLU 81 -3.444 11.669 8.831 632 HB3 GLU 81 2HB GLU 81 -3.279 12.973 9.998 633 HG2 GLU 81 1HG GLU 81 -1.506 12.798 7.591 634 HG3 GLU 81 2HG GLU 81 -3.102 13.543 7.514 635 H GLY 82 H GLY 82 -0.521 9.918 11.487 636 HA2 GLY 82 1HA GLY 82 -0.881 9.087 13.597 637 HA3 GLY 82 2HA GLY 82 -1.769 10.566 13.936 638 H ILE 83 H ILE 83 -2.654 8.362 11.366 639 HA ILE 83 HA ILE 83 -4.967 7.486 12.965 640 HB ILE 83 HB ILE 83 -4.949 8.376 10.084 641 HG12 ILE 83 1HG1 ILE 83 -6.688 9.290 12.378 642 HG13 ILE 83 2HG1 ILE 83 -5.175 10.079 11.946 643 HG21 ILE 83 1HG2 ILE 83 -6.231 6.285 10.355 644 HG22 ILE 83 2HG2 ILE 83 -7.211 7.073 11.591 645 HG23 ILE 83 3HG2 ILE 83 -7.252 7.659 9.928 646 HD11 ILE 83 1HD1 ILE 83 -7.613 9.813 10.205 647 HD12 ILE 83 2HD1 ILE 83 -7.036 11.277 11.003 648 HD13 ILE 83 3HD1 ILE 83 -6.085 10.542 9.712 649 H PHE 84 H PHE 84 -5.125 5.355 13.132 650 HA PHE 84 HA PHE 84 -3.359 3.595 11.788 651 HB2 PHE 84 1HB PHE 84 -5.795 3.125 13.504 652 HB3 PHE 84 2HB PHE 84 -4.845 1.806 12.828 653 HD1 PHE 84 2HD PHE 84 -2.233 2.037 13.279 654 HD2 PHE 84 1HD PHE 84 -5.304 3.815 15.631 655 HE1 PHE 84 2HE PHE 84 -0.688 2.173 15.188 656 HE2 PHE 84 1HE PHE 84 -3.762 3.955 17.544 657 HZ PHE 84 HZ PHE 84 -1.452 3.132 17.324 658 H ILE 85 H ILE 85 -3.774 4.097 9.562 659 HA ILE 85 HA ILE 85 -6.328 3.594 8.383 660 HB ILE 85 HB ILE 85 -4.906 3.585 6.218 661 HG12 ILE 85 1HG1 ILE 85 -2.882 4.892 8.025 662 HG13 ILE 85 2HG1 ILE 85 -2.783 3.183 7.616 663 HG21 ILE 85 1HG2 ILE 85 -4.509 6.171 6.639 664 HG22 ILE 85 2HG2 ILE 85 -6.125 5.494 6.449 665 HG23 ILE 85 3HG2 ILE 85 -5.496 5.835 8.061 666 HD11 ILE 85 1HD1 ILE 85 -1.567 5.127 6.230 667 HD12 ILE 85 2HD1 ILE 85 -2.077 3.594 5.524 668 HD13 ILE 85 3HD1 ILE 85 -3.089 5.027 5.345 669 H LYS 86 H LYS 86 -7.175 1.629 8.242 670 HA LYS 86 HA LYS 86 -5.499 -0.729 8.165 671 HB2 LYS 86 1HB LYS 86 -7.877 -0.297 9.316 672 HB3 LYS 86 2HB LYS 86 -8.440 -0.923 7.772 673 HG2 LYS 86 1HG LYS 86 -7.095 -2.944 8.110 674 HG3 LYS 86 2HG LYS 86 -6.564 -2.316 9.672 675 HD2 LYS 86 1HD LYS 86 -9.472 -2.675 8.999 676 HD3 LYS 86 2HD LYS 86 -8.498 -3.982 9.678 677 HE2 LYS 86 1HE LYS 86 -8.084 -2.761 11.665 678 HE3 LYS 86 2HE LYS 86 -8.703 -1.268 10.961 679 HZ1 LYS 86 1HZ LYS 86 -10.902 -2.432 10.810 680 HZ2 LYS 86 2HZ LYS 86 -10.373 -2.095 12.381 681 HZ3 LYS 86 3HZ LYS 86 -10.247 -3.665 11.765 682 H ASP 87 H ASP 87 -6.078 -2.492 6.572 683 HA ASP 87 HA ASP 87 -5.697 -1.498 3.930 684 HB2 ASP 87 1HB ASP 87 -6.122 -4.047 3.413 685 HB3 ASP 87 2HB ASP 87 -4.640 -3.529 4.211 686 H SER 88 H SER 88 -8.451 -2.584 5.765 687 HA SER 88 HA SER 88 -10.199 -3.000 3.558 688 HB2 SER 88 1HB SER 88 -10.733 -2.495 6.492 689 HB3 SER 88 2HB SER 88 -12.000 -2.859 5.319 690 HG SER 88 HG SER 88 -11.335 -4.760 6.321 691 H ASN 89 H ASN 89 -8.989 -0.208 5.087 692 HA ASN 89 HA ASN 89 -11.216 1.480 4.274 693 HB2 ASN 89 1HB ASN 89 -8.680 1.957 5.822 694 HB3 ASN 89 2HB ASN 89 -9.641 3.304 5.219 695 HD21 ASN 89 1HD2 ASN 89 -9.943 0.305 7.075 696 HD22 ASN 89 2HD2 ASN 89 -11.131 0.904 8.177 697 H SER 90 H SER 90 -11.196 2.894 2.595 698 HA SER 90 HA SER 90 -9.241 2.460 0.532 699 HB2 SER 90 1HB SER 90 -11.505 4.468 0.594 700 HB3 SER 90 2HB SER 90 -10.627 3.913 -0.831 701 HG SER 90 HG SER 90 -12.117 2.441 -0.928 702 H LEU 91 H LEU 91 -8.070 4.195 -0.536 703 HA LEU 91 HA LEU 91 -6.716 5.861 1.362 704 HB2 LEU 91 1HB LEU 91 -6.459 5.299 -1.554 705 HB3 LEU 91 2HB LEU 91 -5.667 6.725 -0.887 706 HG LEU 91 HG LEU 91 -5.187 4.041 0.343 707 HD11 LEU 91 1HD1 LEU 91 -4.328 4.950 -2.326 708 HD12 LEU 91 2HD1 LEU 91 -4.505 3.319 -1.680 709 HD13 LEU 91 3HD1 LEU 91 -3.070 4.269 -1.294 710 HD21 LEU 91 1HD2 LEU 91 -3.906 5.334 1.620 711 HD22 LEU 91 2HD2 LEU 91 -4.142 6.727 0.563 712 HD23 LEU 91 3HD2 LEU 91 -2.864 5.561 0.215 713 H ALA 92 H ALA 92 -8.863 6.440 -1.403 714 HA ALA 92 HA ALA 92 -8.820 9.256 -1.260 715 HB1 ALA 92 1HB ALA 92 -11.152 8.897 -2.435 716 HB2 ALA 92 2HB ALA 92 -9.639 8.546 -3.272 717 HB3 ALA 92 3HB ALA 92 -10.575 7.234 -2.555 718 H TYR 93 H TYR 93 -10.718 6.823 0.398 719 HA TYR 93 HA TYR 93 -12.808 8.372 1.371 720 HB2 TYR 93 1HB TYR 93 -12.976 6.053 1.723 721 HB3 TYR 93 2HB TYR 93 -11.386 5.960 2.473 722 HD1 TYR 93 2HD TYR 93 -14.901 6.917 2.987 723 HD2 TYR 93 1HD TYR 93 -11.087 6.432 4.810 724 HE1 TYR 93 2HE TYR 93 -15.946 7.091 5.206 725 HE2 TYR 93 1HE TYR 93 -12.122 6.604 7.035 726 HH TYR 93 HH TYR 93 -14.022 7.237 8.138 727 H TYR 94 H TYR 94 -9.576 7.850 2.734 728 HA TYR 94 HA TYR 94 -10.040 9.487 5.028 729 HB2 TYR 94 1HB TYR 94 -7.679 8.120 3.820 730 HB3 TYR 94 2HB TYR 94 -7.389 9.402 4.990 731 HD1 TYR 94 2HD TYR 94 -8.693 9.193 7.245 732 HD2 TYR 94 1HD TYR 94 -8.028 5.952 4.570 733 HE1 TYR 94 2HE TYR 94 -9.069 7.605 9.085 734 HE2 TYR 94 1HE TYR 94 -8.404 4.355 6.402 735 HH TYR 94 HH TYR 94 -8.985 5.465 9.717 736 H ASN 95 H ASN 95 -9.387 10.155 1.776 737 HA ASN 95 HA ASN 95 -8.977 12.074 0.628 738 HB2 ASN 95 1HB ASN 95 -9.815 13.189 3.294 739 HB3 ASN 95 2HB ASN 95 -9.313 14.251 1.983 740 HD21 ASN 95 1HD2 ASN 95 -11.392 11.405 2.422 741 HD22 ASN 95 2HD2 ASN 95 -12.718 12.024 1.503 742 H MET 96 H MET 96 -6.734 10.835 1.161 743 HA MET 96 HA MET 96 -4.849 12.254 2.735 744 HB2 MET 96 1HB MET 96 -4.668 10.126 0.634 745 HB3 MET 96 2HB MET 96 -3.204 10.927 1.190 746 HG2 MET 96 1HG MET 96 -3.836 10.287 3.519 747 HG3 MET 96 2HG MET 96 -5.148 9.331 2.834 748 HE1 MET 96 1HE MET 96 -3.951 6.419 3.450 749 HE2 MET 96 2HE MET 96 -2.544 7.022 4.326 750 HE3 MET 96 3HE MET 96 -4.096 7.848 4.473 751 H ALA 97 H ALA 97 -3.078 13.540 2.038 752 HA ALA 97 HA ALA 97 -3.691 15.107 -0.368 753 HB1 ALA 97 1HB ALA 97 -3.199 15.952 2.175 754 HB2 ALA 97 2HB ALA 97 -1.613 16.130 1.423 755 HB3 ALA 97 3HB ALA 97 -3.015 16.942 0.727 756 H SER 98 H SER 98 -1.997 15.736 -1.798 757 HA SER 98 HA SER 98 -0.370 13.736 -2.719 758 HB2 SER 98 1HB SER 98 -0.319 16.709 -3.015 759 HB3 SER 98 2HB SER 98 1.051 15.782 -3.625 760 HG SER 98 HG SER 98 -1.092 14.522 -4.442 761 H GLY 99 H GLY 99 2.093 13.829 -2.871 762 HA2 GLY 99 1HA GLY 99 3.972 13.244 -1.632 763 HA3 GLY 99 2HA GLY 99 3.883 14.951 -1.226 764 H ALA 100 H ALA 100 1.538 12.531 -0.228 765 HA ALA 100 HA ALA 100 1.575 13.323 2.464 766 HB1 ALA 100 1HB ALA 100 -0.384 12.274 1.876 767 HB2 ALA 100 2HB ALA 100 0.441 10.992 0.989 768 HB3 ALA 100 3HB ALA 100 0.443 10.985 2.752 769 H VAL 101 H VAL 101 1.837 11.402 4.187 770 HA VAL 101 HA VAL 101 4.354 9.982 3.723 771 HB VAL 101 HB VAL 101 5.086 12.035 4.757 772 HG11 VAL 101 1HG1 VAL 101 3.756 11.724 7.323 773 HG12 VAL 101 2HG1 VAL 101 3.944 13.158 6.312 774 HG13 VAL 101 3HG1 VAL 101 2.624 12.029 6.005 775 HG21 VAL 101 1HG2 VAL 101 5.037 9.836 6.822 776 HG22 VAL 101 2HG2 VAL 101 6.150 9.919 5.457 777 HG23 VAL 101 3HG2 VAL 101 6.204 11.154 6.714 778 H ILE 102 H ILE 102 3.897 7.928 4.136 779 HA ILE 102 HA ILE 102 1.900 7.269 6.172 780 HB ILE 102 HB ILE 102 3.229 5.451 4.159 781 HG12 ILE 102 1HG1 ILE 102 1.815 7.206 3.120 782 HG13 ILE 102 2HG1 ILE 102 1.159 5.589 2.894 783 HG21 ILE 102 1HG2 ILE 102 1.048 5.048 6.177 784 HG22 ILE 102 2HG2 ILE 102 1.178 4.028 4.745 785 HG23 ILE 102 3HG2 ILE 102 2.501 4.087 5.909 786 HD11 ILE 102 1HD1 ILE 102 0.023 7.895 4.240 787 HD12 ILE 102 2HD1 ILE 102 -0.762 6.452 3.597 788 HD13 ILE 102 3HD1 ILE 102 -0.050 6.425 5.210 789 H HIS 103 H HIS 103 2.654 6.974 8.159 790 HA HIS 103 HA HIS 103 5.384 6.265 8.683 791 HB2 HIS 103 1HB HIS 103 3.025 6.480 10.566 792 HB3 HIS 103 2HB HIS 103 4.710 6.329 11.054 793 HD1 HIS 103 1HD HIS 103 6.207 8.388 9.678 794 HD2 HIS 103 2HD HIS 103 2.262 9.048 10.801 795 HE1 HIS 103 1HE HIS 103 5.940 10.887 9.756 796 HE2 HIS 103 2HE HIS 103 3.569 11.263 10.520 797 H LEU 104 H LEU 104 6.196 4.285 8.745 798 HA LEU 104 HA LEU 104 4.400 1.994 8.777 799 HB2 LEU 104 1HB LEU 104 6.243 2.169 7.128 800 HB3 LEU 104 2HB LEU 104 7.396 2.080 8.458 801 HG LEU 104 HG LEU 104 6.530 -0.188 8.986 802 HD11 LEU 104 1HD1 LEU 104 5.042 0.097 6.380 803 HD12 LEU 104 2HD1 LEU 104 4.299 0.108 7.979 804 HD13 LEU 104 3HD1 LEU 104 5.123 -1.340 7.399 805 HD21 LEU 104 1HD2 LEU 104 7.879 -1.234 7.439 806 HD22 LEU 104 2HD2 LEU 104 8.464 0.427 7.349 807 HD23 LEU 104 3HD2 LEU 104 7.360 -0.188 6.117 808 H ALA 105 H ALA 105 4.298 0.476 10.366 809 HA ALA 105 HA ALA 105 6.155 0.620 12.612 810 HB1 ALA 105 1HB ALA 105 4.418 0.774 14.276 811 HB2 ALA 105 2HB ALA 105 4.291 2.144 13.172 812 HB3 ALA 105 3HB ALA 105 3.174 0.787 13.026 813 H LEU 106 H LEU 106 6.032 -1.245 14.025 814 HA LEU 106 HA LEU 106 5.108 -3.620 12.574 815 HB2 LEU 106 1HB LEU 106 7.376 -3.852 13.022 816 HB3 LEU 106 2HB LEU 106 7.232 -3.129 14.623 817 HG LEU 106 HG LEU 106 6.167 -5.157 15.457 818 HD11 LEU 106 1HD1 LEU 106 6.695 -7.034 13.446 819 HD12 LEU 106 2HD1 LEU 106 5.850 -5.702 12.658 820 HD13 LEU 106 3HD1 LEU 106 5.121 -6.509 14.046 821 HD21 LEU 106 1HD2 LEU 106 8.094 -6.457 15.604 822 HD22 LEU 106 2HD2 LEU 106 8.711 -4.838 15.276 823 HD23 LEU 106 3HD2 LEU 106 8.624 -6.029 13.977 824 H LYS 107 H LYS 107 3.275 -4.523 13.206 825 HA LYS 107 HA LYS 107 1.939 -3.803 15.606 826 HB2 LYS 107 1HB LYS 107 1.000 -4.692 13.328 827 HB3 LYS 107 2HB LYS 107 1.249 -6.273 14.056 828 HG2 LYS 107 1HG LYS 107 -0.149 -5.500 15.988 829 HG3 LYS 107 2HG LYS 107 -0.530 -4.059 15.043 830 HD2 LYS 107 1HD LYS 107 -2.315 -5.496 14.604 831 HD3 LYS 107 2HD LYS 107 -1.257 -5.709 13.208 832 HE2 LYS 107 1HE LYS 107 -1.799 -7.890 13.779 833 HE3 LYS 107 2HE LYS 107 -0.242 -7.656 14.573 834 HZ1 LYS 107 1HZ LYS 107 -2.907 -7.917 15.746 835 HZ2 LYS 107 2HZ LYS 107 -1.807 -6.900 16.531 836 HZ3 LYS 107 3HZ LYS 107 -1.425 -8.530 16.285 837 H GLU 108 H GLU 108 1.713 -4.870 17.524 838 HA GLU 108 HA GLU 108 3.777 -6.730 18.228 839 HB2 GLU 108 1HB GLU 108 2.785 -4.922 19.726 840 HB3 GLU 108 2HB GLU 108 1.394 -5.980 19.917 841 HG2 GLU 108 1HG GLU 108 2.906 -6.222 21.784 842 HG3 GLU 108 2HG GLU 108 2.841 -7.715 20.849 843 H ARG 109 H ARG 109 2.480 -7.976 16.259 844 HA ARG 109 HA ARG 109 0.285 -9.578 16.987 845 HB2 ARG 109 1HB ARG 109 1.069 -9.172 14.651 846 HB3 ARG 109 2HB ARG 109 2.436 -10.232 14.969 847 HG2 ARG 109 1HG ARG 109 1.039 -11.721 13.982 848 HG3 ARG 109 2HG ARG 109 0.508 -11.909 15.655 849 HD2 ARG 109 1HD ARG 109 -1.501 -11.658 14.551 850 HD3 ARG 109 2HD ARG 109 -1.158 -10.003 15.054 851 HE ARG 109 HE ARG 109 -1.092 -9.432 12.853 852 HH11 ARG 109 2HH1 ARG 109 -0.415 -12.837 13.122 853 HH12 ARG 109 1HH1 ARG 109 -0.338 -13.090 11.410 854 HH21 ARG 109 2HH2 ARG 109 -0.992 -9.752 10.597 855 HH22 ARG 109 1HH2 ARG 109 -0.665 -11.334 9.975 856 H SER 110 H SER 110 0.163 -11.191 18.389 857 HA SER 110 HA SER 110 2.499 -12.264 19.644 858 HB2 SER 110 1HB SER 110 0.857 -13.706 20.866 859 HB3 SER 110 2HB SER 110 0.491 -11.983 20.962 860 HG SER 110 HG SER 110 -1.256 -13.603 20.386 861 H GLY 111 H GLY 111 3.763 -13.718 18.696 862 HA2 GLY 111 1HA GLY 111 3.729 -16.184 18.172 863 HA3 GLY 111 2HA GLY 111 2.490 -15.772 16.995 864 HA PRO 112 HA PRO 112 6.861 -14.188 15.516 865 HB2 PRO 112 1HB PRO 112 8.882 -15.809 16.328 866 HB3 PRO 112 2HB PRO 112 8.382 -14.372 17.228 867 HG2 PRO 112 1HG PRO 112 7.690 -17.245 17.710 868 HG3 PRO 112 2HG PRO 112 8.138 -15.991 18.880 869 HD2 PRO 112 1HD PRO 112 5.570 -16.735 18.455 870 HD3 PRO 112 2HD PRO 112 6.022 -15.078 18.903 871 H SER 113 H SER 113 8.276 -15.125 13.839 872 HA SER 113 HA SER 113 7.587 -17.839 13.002 873 HB2 SER 113 1HB SER 113 6.087 -15.946 11.939 874 HB3 SER 113 2HB SER 113 7.500 -15.695 10.914 875 HG SER 113 HG SER 113 5.919 -18.023 11.192 876 H SER 114 H SER 114 8.860 -18.287 10.835 877 HA SER 114 HA SER 114 11.284 -16.922 10.369 878 HB2 SER 114 1HB SER 114 12.886 -18.480 11.337 879 HB3 SER 114 2HB SER 114 11.838 -17.847 12.607 880 HG SER 114 HG SER 114 12.265 -20.373 11.968 881 H GLY 115 H GLY 115 12.686 -18.070 8.837 882 HA2 GLY 115 1HA GLY 115 12.344 -20.525 7.710 883 HA3 GLY 115 2HA GLY 115 11.096 -19.550 6.948 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -1.112 27.491 6.812 2 HA2 GLY 1 1HA GLY 1 0.491 29.180 6.823 3 HA3 GLY 1 2HA GLY 1 -0.318 29.922 5.451 4 H SER 2 H SER 2 -2.867 30.275 6.432 5 HA SER 2 HA SER 2 -2.476 31.986 8.795 6 HB2 SER 2 1HB SER 2 -2.634 33.144 6.440 7 HB3 SER 2 2HB SER 2 -4.359 32.826 6.620 8 HG SER 2 HG SER 2 -2.825 34.711 7.814 9 H SER 3 H SER 3 -5.036 30.721 6.655 10 HA SER 3 HA SER 3 -6.703 30.282 9.037 11 HB2 SER 3 1HB SER 3 -7.871 31.654 7.495 12 HB3 SER 3 2HB SER 3 -7.389 30.658 6.123 13 HG SER 3 HG SER 3 -8.838 29.144 6.689 14 H GLY 4 H GLY 4 -5.973 28.302 9.740 15 HA2 GLY 4 1HA GLY 4 -6.831 26.028 8.135 16 HA3 GLY 4 2HA GLY 4 -5.118 26.093 8.522 17 H SER 5 H SER 5 -8.349 26.026 9.962 18 HA SER 5 HA SER 5 -7.212 25.142 12.505 19 HB2 SER 5 1HB SER 5 -8.935 26.886 12.592 20 HB3 SER 5 2HB SER 5 -10.068 25.822 11.757 21 HG SER 5 HG SER 5 -10.116 24.495 13.528 22 H SER 6 H SER 6 -7.399 23.118 13.290 23 HA SER 6 HA SER 6 -8.554 21.106 11.501 24 HB2 SER 6 1HB SER 6 -6.137 20.998 12.405 25 HB3 SER 6 2HB SER 6 -6.876 20.513 13.931 26 HG SER 6 HG SER 6 -6.437 19.049 11.712 27 H GLY 7 H GLY 7 -9.668 19.241 12.514 28 HA2 GLY 7 1HA GLY 7 -11.068 19.951 15.004 29 HA3 GLY 7 2HA GLY 7 -12.000 19.524 13.577 30 H THR 8 H THR 8 -11.668 17.361 12.674 31 HA THR 8 HA THR 8 -10.292 15.345 14.116 32 HB THR 8 HB THR 8 -13.210 14.846 14.354 33 HG1 THR 8 1HG THR 8 -13.251 15.986 16.355 34 HG21 THR 8 1HG2 THR 8 -10.702 14.120 15.826 35 HG22 THR 8 2HG2 THR 8 -11.915 13.065 15.100 36 HG23 THR 8 3HG2 THR 8 -12.277 13.927 16.595 37 H GLU 9 H GLU 9 -10.491 13.263 13.150 38 HA GLU 9 HA GLU 9 -11.188 13.395 10.355 39 HB2 GLU 9 1HB GLU 9 -10.250 11.127 10.239 40 HB3 GLU 9 2HB GLU 9 -9.151 12.244 11.036 41 HG2 GLU 9 1HG GLU 9 -8.985 10.498 12.465 42 HG3 GLU 9 2HG GLU 9 -10.359 11.323 13.198 43 H ASP 10 H ASP 10 -13.450 13.728 11.921 44 HA ASP 10 HA ASP 10 -14.868 11.161 11.698 45 HB2 ASP 10 1HB ASP 10 -14.872 12.399 13.905 46 HB3 ASP 10 2HB ASP 10 -15.826 13.651 13.115 47 H SER 11 H SER 11 -15.211 14.618 10.954 48 HA SER 11 HA SER 11 -17.416 14.015 9.135 49 HB2 SER 11 1HB SER 11 -17.661 16.477 8.979 50 HB3 SER 11 2HB SER 11 -17.733 15.905 10.645 51 HG SER 11 HG SER 11 -16.204 17.303 10.974 52 H LEU 12 H LEU 12 -15.121 12.919 8.213 53 HA LEU 12 HA LEU 12 -13.655 14.650 6.482 54 HB2 LEU 12 1HB LEU 12 -13.907 11.649 6.573 55 HB3 LEU 12 2HB LEU 12 -12.799 12.517 5.513 56 HG LEU 12 HG LEU 12 -12.646 12.953 8.464 57 HD11 LEU 12 1HD1 LEU 12 -11.771 10.957 8.953 58 HD12 LEU 12 2HD1 LEU 12 -10.873 10.872 7.438 59 HD13 LEU 12 3HD1 LEU 12 -12.572 10.402 7.483 60 HD21 LEU 12 1HD2 LEU 12 -10.518 12.833 6.333 61 HD22 LEU 12 2HD2 LEU 12 -10.351 13.429 7.985 62 HD23 LEU 12 3HD2 LEU 12 -11.345 14.311 6.825 63 H MET 13 H MET 13 -13.677 14.670 4.183 64 HA MET 13 HA MET 13 -16.233 14.857 3.040 65 HB2 MET 13 1HB MET 13 -13.440 14.977 2.034 66 HB3 MET 13 2HB MET 13 -14.706 14.698 0.846 67 HG2 MET 13 1HG MET 13 -14.620 16.965 0.793 68 HG3 MET 13 2HG MET 13 -15.830 16.743 2.054 69 HE1 MET 13 1HE MET 13 -14.842 19.159 4.308 70 HE2 MET 13 2HE MET 13 -14.420 19.813 2.725 71 HE3 MET 13 3HE MET 13 -15.815 18.746 2.895 72 HA PRO 14 HA PRO 14 -17.237 10.820 1.645 73 HB2 PRO 14 1HB PRO 14 -18.347 11.302 -0.786 74 HB3 PRO 14 2HB PRO 14 -19.148 11.713 0.735 75 HG2 PRO 14 1HG PRO 14 -17.598 13.473 -1.125 76 HG3 PRO 14 2HG PRO 14 -19.128 13.801 -0.289 77 HD2 PRO 14 1HD PRO 14 -16.752 14.752 0.595 78 HD3 PRO 14 2HD PRO 14 -18.077 14.322 1.695 79 H GLU 15 H GLU 15 -17.247 9.588 -0.708 80 HA GLU 15 HA GLU 15 -14.416 9.524 -1.436 81 HB2 GLU 15 1HB GLU 15 -15.708 7.450 -0.709 82 HB3 GLU 15 2HB GLU 15 -16.536 7.546 -2.257 83 HG2 GLU 15 1HG GLU 15 -14.276 7.460 -3.352 84 HG3 GLU 15 2HG GLU 15 -13.609 7.089 -1.763 85 H GLU 16 H GLU 16 -17.618 9.637 -2.967 86 HA GLU 16 HA GLU 16 -16.858 9.713 -5.623 87 HB2 GLU 16 1HB GLU 16 -19.155 11.075 -4.218 88 HB3 GLU 16 2HB GLU 16 -18.974 11.061 -5.967 89 HG2 GLU 16 1HG GLU 16 -19.259 8.639 -4.203 90 HG3 GLU 16 2HG GLU 16 -20.520 9.342 -5.214 91 H GLU 17 H GLU 17 -17.784 12.627 -3.786 92 HA GLU 17 HA GLU 17 -16.851 14.520 -5.537 93 HB2 GLU 17 1HB GLU 17 -16.655 14.757 -2.532 94 HB3 GLU 17 2HB GLU 17 -16.797 16.070 -3.692 95 HG2 GLU 17 1HG GLU 17 -19.031 14.977 -4.339 96 HG3 GLU 17 2HG GLU 17 -18.874 14.105 -2.815 97 H PHE 18 H PHE 18 -15.037 13.105 -2.817 98 HA PHE 18 HA PHE 18 -12.681 14.366 -2.872 99 HB2 PHE 18 1HB PHE 18 -13.042 12.460 -1.424 100 HB3 PHE 18 2HB PHE 18 -13.068 11.368 -2.804 101 HD1 PHE 18 2HD PHE 18 -10.840 13.872 -1.172 102 HD2 PHE 18 1HD PHE 18 -11.150 10.221 -3.338 103 HE1 PHE 18 2HE PHE 18 -8.414 13.535 -0.945 104 HE2 PHE 18 1HE PHE 18 -8.724 9.877 -3.113 105 HZ PHE 18 HZ PHE 18 -7.352 11.536 -1.916 106 H LEU 19 H LEU 19 -13.262 11.551 -4.989 107 HA LEU 19 HA LEU 19 -11.002 11.627 -6.512 108 HB2 LEU 19 1HB LEU 19 -13.768 11.118 -7.593 109 HB3 LEU 19 2HB LEU 19 -12.248 10.546 -8.278 110 HG LEU 19 HG LEU 19 -13.337 9.698 -5.596 111 HD11 LEU 19 1HD1 LEU 19 -14.435 7.988 -6.552 112 HD12 LEU 19 2HD1 LEU 19 -13.219 7.772 -7.811 113 HD13 LEU 19 3HD1 LEU 19 -14.442 9.032 -7.974 114 HD21 LEU 19 1HD2 LEU 19 -11.563 8.234 -5.445 115 HD22 LEU 19 2HD2 LEU 19 -10.800 9.641 -6.185 116 HD23 LEU 19 3HD2 LEU 19 -11.255 8.258 -7.181 117 H ARG 20 H ARG 20 -13.926 13.570 -6.971 118 HA ARG 20 HA ARG 20 -13.124 14.831 -9.358 119 HB2 ARG 20 1HB ARG 20 -15.002 15.792 -7.193 120 HB3 ARG 20 2HB ARG 20 -14.844 16.528 -8.782 121 HG2 ARG 20 1HG ARG 20 -15.396 14.129 -9.639 122 HG3 ARG 20 2HG ARG 20 -16.056 13.916 -8.016 123 HD2 ARG 20 1HD ARG 20 -16.801 16.272 -9.717 124 HD3 ARG 20 2HD ARG 20 -17.635 14.727 -9.872 125 HE ARG 20 HE ARG 20 -17.784 15.202 -7.230 126 HH11 ARG 20 2HH1 ARG 20 -18.509 17.163 -10.013 127 HH12 ARG 20 1HH1 ARG 20 -19.755 18.064 -9.216 128 HH21 ARG 20 2HH2 ARG 20 -19.423 16.381 -6.169 129 HH22 ARG 20 1HH2 ARG 20 -20.274 17.619 -7.029 130 H ARG 21 H ARG 21 -12.432 15.476 -5.997 131 HA ARG 21 HA ARG 21 -11.221 18.049 -6.584 132 HB2 ARG 21 1HB ARG 21 -11.834 16.496 -4.111 133 HB3 ARG 21 2HB ARG 21 -10.562 17.708 -4.039 134 HG2 ARG 21 1HG ARG 21 -13.315 18.326 -5.064 135 HG3 ARG 21 2HG ARG 21 -12.882 18.446 -3.357 136 HD2 ARG 21 1HD ARG 21 -10.904 19.891 -4.259 137 HD3 ARG 21 2HD ARG 21 -11.936 20.072 -5.678 138 HE ARG 21 HE ARG 21 -13.320 21.439 -4.462 139 HH11 ARG 21 2HH1 ARG 21 -11.143 19.783 -2.308 140 HH12 ARG 21 1HH1 ARG 21 -11.592 20.722 -0.922 141 HH21 ARG 21 2HH2 ARG 21 -13.920 22.681 -2.645 142 HH22 ARG 21 1HH2 ARG 21 -13.172 22.369 -1.115 143 H ASN 22 H ASN 22 -10.025 15.195 -4.809 144 HA ASN 22 HA ASN 22 -7.310 15.843 -5.627 145 HB2 ASN 22 1HB ASN 22 -8.287 13.606 -3.839 146 HB3 ASN 22 2HB ASN 22 -6.619 14.139 -4.034 147 HD21 ASN 22 1HD2 ASN 22 -9.781 15.031 -2.823 148 HD22 ASN 22 2HD2 ASN 22 -9.226 16.226 -1.706 149 H LYS 23 H LYS 23 -7.316 15.335 -7.823 150 HA LYS 23 HA LYS 23 -8.122 12.724 -8.736 151 HB2 LYS 23 1HB LYS 23 -8.218 14.932 -10.054 152 HB3 LYS 23 2HB LYS 23 -6.492 14.708 -10.309 153 HG2 LYS 23 1HG LYS 23 -7.460 13.812 -12.219 154 HG3 LYS 23 2HG LYS 23 -7.125 12.396 -11.219 155 HD2 LYS 23 1HD LYS 23 -9.433 12.322 -10.492 156 HD3 LYS 23 2HD LYS 23 -9.789 13.808 -11.377 157 HE2 LYS 23 1HE LYS 23 -10.571 11.959 -12.677 158 HE3 LYS 23 2HE LYS 23 -9.149 12.627 -13.476 159 HZ1 LYS 23 1HZ LYS 23 -9.448 10.079 -12.045 160 HZ2 LYS 23 2HZ LYS 23 -7.927 10.817 -12.099 161 HZ3 LYS 23 3HZ LYS 23 -8.712 10.393 -13.536 162 H GLY 24 H GLY 24 -5.112 14.364 -7.954 163 HA2 GLY 24 1HA GLY 24 -3.096 13.379 -7.343 164 HA3 GLY 24 2HA GLY 24 -3.761 11.811 -7.779 165 HA PRO 25 HA PRO 25 -2.406 10.446 -8.154 166 HB2 PRO 25 1HB PRO 25 0.213 9.779 -8.403 167 HB3 PRO 25 2HB PRO 25 -1.030 9.228 -9.532 168 HG2 PRO 25 1HG PRO 25 0.913 11.490 -9.808 169 HG3 PRO 25 2HG PRO 25 0.423 10.282 -11.011 170 HD2 PRO 25 1HD PRO 25 -0.585 12.795 -10.976 171 HD3 PRO 25 2HD PRO 25 -1.531 11.394 -11.516 172 H VAL 26 H VAL 26 -1.437 10.141 -6.083 173 HA VAL 26 HA VAL 26 -0.240 12.601 -5.005 174 HB VAL 26 HB VAL 26 -0.988 11.816 -2.798 175 HG11 VAL 26 1HG1 VAL 26 -2.439 13.264 -4.139 176 HG12 VAL 26 2HG1 VAL 26 -3.195 11.841 -4.855 177 HG13 VAL 26 3HG1 VAL 26 -3.377 12.163 -3.130 178 HG21 VAL 26 1HG2 VAL 26 -2.527 9.891 -2.656 179 HG22 VAL 26 2HG2 VAL 26 -2.195 9.526 -4.349 180 HG23 VAL 26 3HG2 VAL 26 -0.901 9.424 -3.155 181 H SER 27 H SER 27 1.747 12.592 -4.142 182 HA SER 27 HA SER 27 3.253 10.093 -4.224 183 HB2 SER 27 1HB SER 27 4.335 11.921 -5.334 184 HB3 SER 27 2HB SER 27 4.102 12.981 -3.944 185 HG SER 27 HG SER 27 5.428 10.736 -3.238 186 H ILE 28 H ILE 28 3.355 8.907 -2.445 187 HA ILE 28 HA ILE 28 3.273 10.263 0.168 188 HB ILE 28 HB ILE 28 2.555 8.088 1.101 189 HG12 ILE 28 1HG1 ILE 28 2.061 7.143 -1.707 190 HG13 ILE 28 2HG1 ILE 28 3.607 6.837 -0.924 191 HG21 ILE 28 1HG2 ILE 28 0.333 8.402 0.600 192 HG22 ILE 28 2HG2 ILE 28 1.018 9.942 0.082 193 HG23 ILE 28 3HG2 ILE 28 0.648 8.695 -1.110 194 HD11 ILE 28 1HD1 ILE 28 2.734 5.051 0.035 195 HD12 ILE 28 2HD1 ILE 28 1.589 6.082 0.894 196 HD13 ILE 28 3HD1 ILE 28 1.163 5.411 -0.681 197 H LYS 29 H LYS 29 4.764 9.749 1.750 198 HA LYS 29 HA LYS 29 7.105 8.218 0.823 199 HB2 LYS 29 1HB LYS 29 7.203 10.791 1.383 200 HB3 LYS 29 2HB LYS 29 7.283 10.215 3.043 201 HG2 LYS 29 1HG LYS 29 9.274 8.930 2.528 202 HG3 LYS 29 2HG LYS 29 9.178 9.429 0.838 203 HD2 LYS 29 1HD LYS 29 9.411 11.788 1.577 204 HD3 LYS 29 2HD LYS 29 9.641 11.211 3.229 205 HE2 LYS 29 1HE LYS 29 11.726 10.386 2.794 206 HE3 LYS 29 2HE LYS 29 11.364 10.061 1.100 207 HZ1 LYS 29 1HZ LYS 29 11.271 12.636 0.960 208 HZ2 LYS 29 2HZ LYS 29 12.767 11.849 0.946 209 HZ3 LYS 29 3HZ LYS 29 12.207 12.574 2.368 210 H VAL 30 H VAL 30 7.393 6.339 1.807 211 HA VAL 30 HA VAL 30 6.066 5.808 4.345 212 HB VAL 30 HB VAL 30 7.597 3.967 2.503 213 HG11 VAL 30 1HG1 VAL 30 6.376 3.572 5.181 214 HG12 VAL 30 2HG1 VAL 30 6.211 2.274 3.996 215 HG13 VAL 30 3HG1 VAL 30 7.814 2.838 4.472 216 HG21 VAL 30 1HG2 VAL 30 5.719 3.962 1.310 217 HG22 VAL 30 2HG2 VAL 30 4.927 3.184 2.680 218 HG23 VAL 30 3HG2 VAL 30 4.880 4.939 2.515 219 H GLN 31 H GLN 31 7.110 6.291 6.156 220 HA GLN 31 HA GLN 31 9.986 6.494 6.234 221 HB2 GLN 31 1HB GLN 31 8.306 7.992 7.469 222 HB3 GLN 31 2HB GLN 31 8.143 6.663 8.608 223 HG2 GLN 31 1HG GLN 31 10.533 8.372 8.045 224 HG3 GLN 31 2HG GLN 31 9.717 8.074 9.579 225 HE21 GLN 31 1HE2 GLN 31 9.913 5.933 10.502 226 HE22 GLN 31 2HE2 GLN 31 11.347 5.014 10.214 227 H VAL 32 H VAL 32 10.963 4.539 6.093 228 HA VAL 32 HA VAL 32 10.008 2.287 7.652 229 HB VAL 32 HB VAL 32 12.436 2.505 5.867 230 HG11 VAL 32 1HG1 VAL 32 12.983 0.649 7.042 231 HG12 VAL 32 2HG1 VAL 32 11.318 0.337 7.536 232 HG13 VAL 32 3HG1 VAL 32 11.858 -0.111 5.917 233 HG21 VAL 32 1HG2 VAL 32 10.571 0.829 4.684 234 HG22 VAL 32 2HG2 VAL 32 9.614 2.178 5.295 235 HG23 VAL 32 3HG2 VAL 32 10.960 2.478 4.196 236 HA PRO 33 HA PRO 33 12.627 3.536 11.066 237 HB2 PRO 33 1HB PRO 33 11.790 1.573 12.744 238 HB3 PRO 33 2HB PRO 33 10.849 3.036 12.431 239 HG2 PRO 33 1HG PRO 33 10.545 0.300 11.254 240 HG3 PRO 33 2HG PRO 33 9.293 1.416 11.829 241 HD2 PRO 33 1HD PRO 33 9.888 1.122 9.204 242 HD3 PRO 33 2HD PRO 33 9.336 2.663 9.892 243 H ASN 34 H ASN 34 13.954 2.052 12.693 244 HA ASN 34 HA ASN 34 15.426 0.103 11.045 245 HB2 ASN 34 1HB ASN 34 17.050 1.685 11.368 246 HB3 ASN 34 2HB ASN 34 16.340 2.262 12.873 247 HD21 ASN 34 1HD2 ASN 34 17.326 1.727 14.682 248 HD22 ASN 34 2HD2 ASN 34 18.475 0.451 14.871 249 H MET 35 H MET 35 14.609 -1.820 11.685 250 HA MET 35 HA MET 35 14.163 -2.355 14.509 251 HB2 MET 35 1HB MET 35 13.449 -3.696 11.949 252 HB3 MET 35 2HB MET 35 13.584 -4.701 13.386 253 HG2 MET 35 1HG MET 35 11.288 -3.935 12.947 254 HG3 MET 35 2HG MET 35 11.905 -3.418 14.514 255 HE1 MET 35 1HE MET 35 11.035 -1.098 15.285 256 HE2 MET 35 2HE MET 35 10.040 -0.192 14.145 257 HE3 MET 35 3HE MET 35 9.721 -1.904 14.428 258 H GLN 36 H GLN 36 16.049 -2.655 15.568 259 HA GLN 36 HA GLN 36 18.159 -4.261 14.375 260 HB2 GLN 36 1HB GLN 36 17.936 -2.421 16.696 261 HB3 GLN 36 2HB GLN 36 19.133 -3.704 16.805 262 HG2 GLN 36 1HG GLN 36 19.818 -2.849 14.429 263 HG3 GLN 36 2HG GLN 36 19.013 -1.374 14.961 264 HE21 GLN 36 1HE2 GLN 36 21.004 -0.279 14.889 265 HE22 GLN 36 2HE2 GLN 36 22.187 -0.484 16.131 266 H ASP 37 H ASP 37 15.395 -4.966 15.925 267 HA ASP 37 HA ASP 37 16.301 -6.875 17.857 268 HB2 ASP 37 1HB ASP 37 13.562 -6.948 16.637 269 HB3 ASP 37 2HB ASP 37 14.052 -7.297 18.293 270 H LYS 38 H LYS 38 17.642 -7.400 15.529 271 HA LYS 38 HA LYS 38 17.925 -8.913 13.795 272 HB2 LYS 38 1HB LYS 38 18.646 -9.924 16.052 273 HB3 LYS 38 2HB LYS 38 17.186 -10.898 15.933 274 HG2 LYS 38 1HG LYS 38 18.878 -12.255 15.077 275 HG3 LYS 38 2HG LYS 38 18.054 -11.622 13.650 276 HD2 LYS 38 1HD LYS 38 19.821 -9.809 13.600 277 HD3 LYS 38 2HD LYS 38 20.693 -10.753 14.810 278 HE2 LYS 38 1HE LYS 38 21.564 -11.292 12.639 279 HE3 LYS 38 2HE LYS 38 20.665 -12.681 13.247 280 HZ1 LYS 38 1HZ LYS 38 20.310 -11.901 10.828 281 HZ2 LYS 38 2HZ LYS 38 19.327 -10.710 11.517 282 HZ3 LYS 38 3HZ LYS 38 18.964 -12.345 11.752 283 H THR 39 H THR 39 15.562 -7.960 13.202 284 HA THR 39 HA THR 39 13.618 -10.139 13.090 285 HB THR 39 HB THR 39 12.653 -8.047 13.729 286 HG1 THR 39 1HG THR 39 11.920 -8.096 11.020 287 HG21 THR 39 1HG2 THR 39 14.310 -6.499 12.927 288 HG22 THR 39 2HG2 THR 39 12.757 -6.067 12.211 289 HG23 THR 39 3HG2 THR 39 13.963 -6.925 11.252 290 H GLU 40 H GLU 40 12.559 -10.665 11.061 291 HA GLU 40 HA GLU 40 14.486 -10.820 8.895 292 HB2 GLU 40 1HB GLU 40 12.911 -12.380 7.870 293 HB3 GLU 40 2HB GLU 40 13.233 -12.827 9.540 294 HG2 GLU 40 1HG GLU 40 10.868 -11.128 8.916 295 HG3 GLU 40 2HG GLU 40 10.803 -12.860 8.595 296 H TRP 41 H TRP 41 13.254 -8.246 9.548 297 HA TRP 41 HA TRP 41 11.847 -7.742 7.007 298 HB2 TRP 41 1HB TRP 41 11.587 -6.211 9.605 299 HB3 TRP 41 2HB TRP 41 10.728 -5.858 8.108 300 HD1 TRP 41 HD TRP 41 10.180 -9.134 7.626 301 HE1 TRP 41 1HE TRP 41 8.209 -10.156 8.929 302 HE3 TRP 41 3HE TRP 41 9.691 -5.586 11.274 303 HZ2 TRP 41 2HZ TRP 41 6.653 -9.539 11.202 304 HZ3 TRP 41 3HZ TRP 41 7.936 -5.876 12.974 305 HH2 TRP 41 HH TRP 41 6.449 -7.812 12.937 306 H LYS 42 H LYS 42 12.816 -6.423 5.611 307 HA LYS 42 HA LYS 42 15.384 -5.342 6.135 308 HB2 LYS 42 1HB LYS 42 13.476 -4.795 3.853 309 HB3 LYS 42 2HB LYS 42 15.171 -4.325 3.889 310 HG2 LYS 42 1HG LYS 42 14.302 -7.184 4.162 311 HG3 LYS 42 2HG LYS 42 14.574 -6.423 2.593 312 HD2 LYS 42 1HD LYS 42 16.872 -5.891 3.253 313 HD3 LYS 42 2HD LYS 42 16.597 -6.651 4.823 314 HE2 LYS 42 1HE LYS 42 16.011 -8.757 3.528 315 HE3 LYS 42 2HE LYS 42 16.677 -7.949 2.110 316 HZ1 LYS 42 1HZ LYS 42 18.097 -9.436 3.851 317 HZ2 LYS 42 2HZ LYS 42 18.397 -7.872 4.420 318 HZ3 LYS 42 3HZ LYS 42 18.757 -8.271 2.816 319 H LEU 43 H LEU 43 14.801 -4.093 8.073 320 HA LEU 43 HA LEU 43 13.769 -1.429 7.352 321 HB2 LEU 43 1HB LEU 43 13.588 -2.694 10.076 322 HB3 LEU 43 2HB LEU 43 12.836 -1.195 9.535 323 HG LEU 43 HG LEU 43 12.106 -3.866 8.361 324 HD11 LEU 43 1HD1 LEU 43 10.822 -4.408 10.098 325 HD12 LEU 43 2HD1 LEU 43 10.216 -2.761 10.270 326 HD13 LEU 43 3HD1 LEU 43 11.746 -3.219 11.017 327 HD21 LEU 43 1HD2 LEU 43 10.487 -1.339 8.576 328 HD22 LEU 43 2HD2 LEU 43 10.175 -2.755 7.572 329 HD23 LEU 43 3HD2 LEU 43 11.534 -1.694 7.202 330 H ASN 44 H ASN 44 15.663 -0.365 7.023 331 HA ASN 44 HA ASN 44 17.414 -0.088 9.363 332 HB2 ASN 44 1HB ASN 44 18.385 -0.393 6.512 333 HB3 ASN 44 2HB ASN 44 19.399 -0.104 7.923 334 HD21 ASN 44 1HD2 ASN 44 20.563 -1.930 7.976 335 HD22 ASN 44 2HD2 ASN 44 19.897 -3.515 8.150 336 H GLY 45 H GLY 45 16.012 1.844 9.568 337 HA2 GLY 45 1HA GLY 45 15.433 4.049 9.081 338 HA3 GLY 45 2HA GLY 45 17.180 4.206 9.182 339 H GLN 46 H GLN 46 14.460 3.785 6.999 340 HA GLN 46 HA GLN 46 15.943 5.189 4.930 341 HB2 GLN 46 1HB GLN 46 15.579 3.551 3.220 342 HB3 GLN 46 2HB GLN 46 16.370 2.749 4.571 343 HG2 GLN 46 1HG GLN 46 14.274 1.789 5.281 344 HG3 GLN 46 2HG GLN 46 13.413 2.668 4.019 345 HE21 GLN 46 1HE2 GLN 46 12.915 0.146 3.933 346 HE22 GLN 46 2HE2 GLN 46 13.806 -0.687 2.710 347 H GLY 47 H GLY 47 14.486 5.670 3.016 348 HA2 GLY 47 1HA GLY 47 11.671 5.895 3.866 349 HA3 GLY 47 2HA GLY 47 12.536 7.301 3.263 350 H LEU 48 H LEU 48 10.232 5.339 2.364 351 HA LEU 48 HA LEU 48 11.195 4.994 -0.395 352 HB2 LEU 48 1HB LEU 48 8.862 3.665 0.974 353 HB3 LEU 48 2HB LEU 48 9.424 3.347 -0.665 354 HG LEU 48 HG LEU 48 10.952 2.749 1.868 355 HD11 LEU 48 1HD1 LEU 48 9.766 0.878 1.951 356 HD12 LEU 48 2HD1 LEU 48 10.434 0.427 0.383 357 HD13 LEU 48 3HD1 LEU 48 8.907 1.305 0.471 358 HD21 LEU 48 1HD2 LEU 48 11.595 2.037 -0.991 359 HD22 LEU 48 2HD2 LEU 48 12.551 1.647 0.438 360 HD23 LEU 48 3HD2 LEU 48 12.373 3.326 -0.073 361 H VAL 49 H VAL 49 9.847 5.603 -2.134 362 HA VAL 49 HA VAL 49 7.567 7.328 -1.465 363 HB VAL 49 HB VAL 49 9.789 8.082 -3.369 364 HG11 VAL 49 1HG1 VAL 49 7.023 8.953 -3.148 365 HG12 VAL 49 2HG1 VAL 49 8.173 10.285 -3.013 366 HG13 VAL 49 3HG1 VAL 49 8.199 9.235 -4.430 367 HG21 VAL 49 1HG2 VAL 49 10.601 9.502 -1.804 368 HG22 VAL 49 2HG2 VAL 49 9.012 9.824 -1.111 369 HG23 VAL 49 3HG2 VAL 49 9.868 8.338 -0.700 370 H PHE 50 H PHE 50 5.865 7.173 -2.829 371 HA PHE 50 HA PHE 50 6.210 5.904 -5.433 372 HB2 PHE 50 1HB PHE 50 4.105 4.888 -3.527 373 HB3 PHE 50 2HB PHE 50 4.595 4.196 -5.070 374 HD1 PHE 50 1HD PHE 50 7.145 3.511 -5.190 375 HD2 PHE 50 2HD PHE 50 4.892 3.923 -1.602 376 HE1 PHE 50 1HE PHE 50 8.737 2.041 -4.025 377 HE2 PHE 50 2HE PHE 50 6.482 2.454 -0.432 378 HZ PHE 50 HZ PHE 50 8.408 1.511 -1.643 379 H THR 51 H THR 51 4.947 6.793 -6.948 380 HA THR 51 HA THR 51 2.917 8.724 -6.062 381 HB THR 51 HB THR 51 4.260 8.504 -8.764 382 HG1 THR 51 1HG THR 51 4.806 10.032 -6.449 383 HG21 THR 51 1HG2 THR 51 2.102 9.527 -8.995 384 HG22 THR 51 2HG2 THR 51 3.316 10.805 -9.062 385 HG23 THR 51 3HG2 THR 51 2.382 10.552 -7.588 386 H LEU 52 H LEU 52 0.988 7.733 -5.944 387 HA LEU 52 HA LEU 52 -0.049 6.502 -8.383 388 HB2 LEU 52 1HB LEU 52 -0.590 5.205 -5.741 389 HB3 LEU 52 2HB LEU 52 -0.801 4.547 -7.362 390 HG LEU 52 HG LEU 52 1.901 5.106 -6.155 391 HD11 LEU 52 1HD1 LEU 52 2.031 2.723 -5.654 392 HD12 LEU 52 2HD1 LEU 52 0.360 2.514 -6.176 393 HD13 LEU 52 3HD1 LEU 52 0.723 3.491 -4.754 394 HD21 LEU 52 1HD2 LEU 52 1.374 4.792 -8.716 395 HD22 LEU 52 2HD2 LEU 52 1.339 3.087 -8.268 396 HD23 LEU 52 3HD2 LEU 52 2.791 4.046 -7.976 397 HA PRO 53 HA PRO 53 -3.554 8.987 -7.412 398 HB2 PRO 53 1HB PRO 53 -5.396 7.727 -8.958 399 HB3 PRO 53 2HB PRO 53 -4.131 8.765 -9.625 400 HG2 PRO 53 1HG PRO 53 -4.228 5.779 -9.437 401 HG3 PRO 53 2HG PRO 53 -3.696 6.798 -10.787 402 HD2 PRO 53 1HD PRO 53 -1.956 5.605 -9.089 403 HD3 PRO 53 2HD PRO 53 -1.623 7.173 -9.852 404 H LEU 54 H LEU 54 -5.805 8.789 -6.604 405 HA LEU 54 HA LEU 54 -5.944 6.689 -4.596 406 HB2 LEU 54 1HB LEU 54 -7.618 9.149 -5.064 407 HB3 LEU 54 2HB LEU 54 -7.884 8.005 -3.750 408 HG LEU 54 HG LEU 54 -6.739 9.875 -2.841 409 HD11 LEU 54 1HD1 LEU 54 -4.626 7.782 -3.300 410 HD12 LEU 54 2HD1 LEU 54 -5.971 7.585 -2.177 411 HD13 LEU 54 3HD1 LEU 54 -4.791 8.870 -1.922 412 HD21 LEU 54 1HD2 LEU 54 -5.901 10.782 -4.973 413 HD22 LEU 54 2HD2 LEU 54 -4.661 9.527 -5.000 414 HD23 LEU 54 3HD2 LEU 54 -4.659 10.742 -3.721 415 H THR 55 H THR 55 -6.436 4.909 -5.946 416 HA THR 55 HA THR 55 -9.237 4.877 -6.859 417 HB THR 55 HB THR 55 -8.368 3.101 -8.548 418 HG1 THR 55 1HG THR 55 -6.002 4.451 -7.765 419 HG21 THR 55 1HG2 THR 55 -8.757 5.903 -8.682 420 HG22 THR 55 2HG2 THR 55 -8.897 4.720 -9.983 421 HG23 THR 55 3HG2 THR 55 -7.355 5.518 -9.679 422 H ASP 56 H ASP 56 -6.481 2.793 -5.990 423 HA ASP 56 HA ASP 56 -8.283 0.663 -5.186 424 HB2 ASP 56 1HB ASP 56 -5.341 0.936 -5.575 425 HB3 ASP 56 2HB ASP 56 -5.910 -0.309 -4.467 426 H GLN 57 H GLN 57 -7.218 -0.486 -3.041 427 HA GLN 57 HA GLN 57 -7.801 1.434 -0.934 428 HB2 GLN 57 1HB GLN 57 -7.471 -1.567 -0.919 429 HB3 GLN 57 2HB GLN 57 -7.765 -0.616 0.530 430 HG2 GLN 57 1HG GLN 57 -9.922 -0.052 -0.124 431 HG3 GLN 57 2HG GLN 57 -9.614 -0.447 -1.814 432 HE21 GLN 57 1HE2 GLN 57 -11.687 -1.356 0.110 433 HE22 GLN 57 2HE2 GLN 57 -11.605 -3.081 0.077 434 H VAL 58 H VAL 58 -6.466 0.637 1.215 435 HA VAL 58 HA VAL 58 -3.874 1.705 0.839 436 HB VAL 58 HB VAL 58 -5.021 0.209 3.200 437 HG11 VAL 58 1HG1 VAL 58 -2.800 0.069 3.694 438 HG12 VAL 58 2HG1 VAL 58 -2.382 1.484 2.725 439 HG13 VAL 58 3HG1 VAL 58 -3.124 1.688 4.313 440 HG21 VAL 58 1HG2 VAL 58 -4.877 3.119 2.467 441 HG22 VAL 58 2HG2 VAL 58 -6.294 2.162 2.899 442 HG23 VAL 58 3HG2 VAL 58 -5.104 2.581 4.132 443 H SER 59 H SER 59 -5.090 -1.386 0.297 444 HA SER 59 HA SER 59 -3.006 -3.062 1.092 445 HB2 SER 59 1HB SER 59 -3.829 -4.564 -0.775 446 HB3 SER 59 2HB SER 59 -5.063 -4.048 0.375 447 HG SER 59 HG SER 59 -4.794 -3.474 -2.304 448 H VAL 60 H VAL 60 -3.548 -1.558 -2.094 449 HA VAL 60 HA VAL 60 -1.285 -2.451 -3.393 450 HB VAL 60 HB VAL 60 -1.487 -0.565 -4.886 451 HG11 VAL 60 1HG1 VAL 60 -4.173 -1.528 -3.909 452 HG12 VAL 60 2HG1 VAL 60 -3.889 -0.715 -5.450 453 HG13 VAL 60 3HG1 VAL 60 -3.159 -2.290 -5.134 454 HG21 VAL 60 1HG2 VAL 60 -1.908 0.992 -2.790 455 HG22 VAL 60 2HG2 VAL 60 -2.470 1.441 -4.401 456 HG23 VAL 60 3HG2 VAL 60 -3.594 0.735 -3.240 457 H ILE 61 H ILE 61 -1.523 -0.195 -0.814 458 HA ILE 61 HA ILE 61 1.061 1.019 -1.312 459 HB ILE 61 HB ILE 61 -1.026 1.354 0.814 460 HG12 ILE 61 1HG1 ILE 61 0.338 3.572 -0.645 461 HG13 ILE 61 2HG1 ILE 61 -0.799 2.567 -1.536 462 HG21 ILE 61 1HG2 ILE 61 0.724 1.519 2.263 463 HG22 ILE 61 2HG2 ILE 61 1.868 1.979 1.004 464 HG23 ILE 61 3HG2 ILE 61 0.726 3.166 1.633 465 HD11 ILE 61 1HD1 ILE 61 -1.349 4.239 0.898 466 HD12 ILE 61 2HD1 ILE 61 -1.978 4.460 -0.735 467 HD13 ILE 61 3HD1 ILE 61 -2.492 3.075 0.228 468 H LYS 62 H LYS 62 -0.368 -1.318 0.917 469 HA LYS 62 HA LYS 62 1.954 -1.654 2.518 470 HB2 LYS 62 1HB LYS 62 -0.514 -3.333 2.099 471 HB3 LYS 62 2HB LYS 62 0.778 -3.821 3.187 472 HG2 LYS 62 1HG LYS 62 0.444 -1.525 4.287 473 HG3 LYS 62 2HG LYS 62 -1.090 -1.494 3.414 474 HD2 LYS 62 1HD LYS 62 -1.822 -3.500 4.507 475 HD3 LYS 62 2HD LYS 62 -0.235 -3.734 5.244 476 HE2 LYS 62 1HE LYS 62 -0.524 -1.935 6.711 477 HE3 LYS 62 2HE LYS 62 -1.843 -1.255 5.759 478 HZ1 LYS 62 1HZ LYS 62 -2.535 -3.854 6.590 479 HZ2 LYS 62 2HZ LYS 62 -3.287 -2.388 6.971 480 HZ3 LYS 62 3HZ LYS 62 -2.027 -2.968 7.939 481 H VAL 63 H VAL 63 0.681 -3.326 -0.320 482 HA VAL 63 HA VAL 63 2.451 -5.487 -0.375 483 HB VAL 63 HB VAL 63 0.383 -5.065 -1.841 484 HG11 VAL 63 1HG1 VAL 63 0.864 -4.120 -4.061 485 HG12 VAL 63 2HG1 VAL 63 1.059 -2.929 -2.774 486 HG13 VAL 63 3HG1 VAL 63 2.478 -3.676 -3.508 487 HG21 VAL 63 1HG2 VAL 63 1.439 -6.387 -3.749 488 HG22 VAL 63 2HG2 VAL 63 2.947 -6.273 -2.840 489 HG23 VAL 63 3HG2 VAL 63 1.550 -7.084 -2.133 490 H LYS 64 H LYS 64 2.808 -2.184 -1.530 491 HA LYS 64 HA LYS 64 5.123 -2.488 -3.062 492 HB2 LYS 64 1HB LYS 64 4.175 -0.133 -1.423 493 HB3 LYS 64 2HB LYS 64 5.503 -0.062 -2.573 494 HG2 LYS 64 1HG LYS 64 2.794 -1.000 -3.427 495 HG3 LYS 64 2HG LYS 64 3.167 0.722 -3.313 496 HD2 LYS 64 1HD LYS 64 5.032 0.429 -4.860 497 HD3 LYS 64 2HD LYS 64 4.694 -1.302 -4.954 498 HE2 LYS 64 1HE LYS 64 2.750 0.863 -5.745 499 HE3 LYS 64 2HE LYS 64 3.806 0.014 -6.873 500 HZ1 LYS 64 1HZ LYS 64 2.685 -2.065 -5.768 501 HZ2 LYS 64 2HZ LYS 64 1.931 -1.242 -7.039 502 HZ3 LYS 64 3HZ LYS 64 1.444 -0.962 -5.444 503 H ILE 65 H ILE 65 4.807 -1.583 0.369 504 HA ILE 65 HA ILE 65 7.506 -1.362 0.976 505 HB ILE 65 HB ILE 65 5.328 -2.393 2.797 506 HG12 ILE 65 1HG1 ILE 65 6.332 0.435 2.712 507 HG13 ILE 65 2HG1 ILE 65 5.083 -0.093 1.591 508 HG21 ILE 65 1HG2 ILE 65 7.758 -2.718 3.482 509 HG22 ILE 65 2HG2 ILE 65 7.842 -0.962 3.605 510 HG23 ILE 65 3HG2 ILE 65 6.715 -1.864 4.619 511 HD11 ILE 65 1HD1 ILE 65 4.661 0.916 4.090 512 HD12 ILE 65 2HD1 ILE 65 3.507 -0.043 3.162 513 HD13 ILE 65 3HD1 ILE 65 4.542 -0.823 4.358 514 H HIS 66 H HIS 66 5.417 -4.229 1.104 515 HA HIS 66 HA HIS 66 7.397 -5.995 2.080 516 HB2 HIS 66 1HB HIS 66 5.099 -6.624 2.298 517 HB3 HIS 66 2HB HIS 66 4.831 -6.478 0.563 518 HD1 HIS 66 1HD HIS 66 5.365 -8.489 -0.876 519 HD2 HIS 66 2HD HIS 66 6.570 -8.949 3.073 520 HE1 HIS 66 1HE HIS 66 6.023 -10.906 -0.651 521 HE2 HIS 66 2HE HIS 66 6.667 -11.180 1.769 522 H GLU 67 H GLU 67 6.486 -4.956 -1.143 523 HA GLU 67 HA GLU 67 7.827 -6.917 -2.630 524 HB2 GLU 67 1HB GLU 67 6.845 -4.160 -3.154 525 HB3 GLU 67 2HB GLU 67 8.013 -4.826 -4.287 526 HG2 GLU 67 1HG GLU 67 5.515 -6.296 -3.516 527 HG3 GLU 67 2HG GLU 67 5.559 -5.132 -4.839 528 H ALA 68 H ALA 68 8.937 -3.805 -1.356 529 HA ALA 68 HA ALA 68 11.608 -4.208 -2.407 530 HB1 ALA 68 1HB ALA 68 10.164 -1.970 -1.886 531 HB2 ALA 68 2HB ALA 68 11.199 -2.051 -0.460 532 HB3 ALA 68 3HB ALA 68 11.918 -2.010 -2.070 533 H THR 69 H THR 69 10.207 -3.747 0.843 534 HA THR 69 HA THR 69 12.616 -4.843 2.052 535 HB THR 69 HB THR 69 11.587 -4.258 4.201 536 HG1 THR 69 1HG THR 69 9.393 -4.597 3.631 537 HG21 THR 69 1HG2 THR 69 12.151 -2.080 4.017 538 HG22 THR 69 2HG2 THR 69 11.026 -1.796 2.688 539 HG23 THR 69 3HG2 THR 69 12.598 -2.528 2.372 540 H GLY 70 H GLY 70 12.488 -6.548 3.675 541 HA2 GLY 70 1HA GLY 70 10.847 -8.732 2.733 542 HA3 GLY 70 2HA GLY 70 12.075 -8.812 3.988 543 H MET 71 H MET 71 9.550 -6.421 4.117 544 HA MET 71 HA MET 71 8.510 -7.728 6.522 545 HB2 MET 71 1HB MET 71 9.295 -5.280 6.460 546 HB3 MET 71 2HB MET 71 7.806 -4.957 5.581 547 HG2 MET 71 1HG MET 71 6.473 -5.650 7.420 548 HG3 MET 71 2HG MET 71 7.878 -6.282 8.276 549 HE1 MET 71 1HE MET 71 6.338 -3.633 10.309 550 HE2 MET 71 2HE MET 71 6.857 -5.308 10.119 551 HE3 MET 71 3HE MET 71 7.971 -4.108 10.777 552 HA PRO 72 HA PRO 72 4.869 -9.022 4.386 553 HB2 PRO 72 1HB PRO 72 3.318 -9.519 6.558 554 HB3 PRO 72 2HB PRO 72 4.638 -10.582 6.056 555 HG2 PRO 72 1HG PRO 72 4.604 -8.484 8.191 556 HG3 PRO 72 2HG PRO 72 5.301 -10.114 8.235 557 HD2 PRO 72 1HD PRO 72 6.802 -7.898 7.821 558 HD3 PRO 72 2HD PRO 72 7.198 -9.470 7.095 559 H ALA 73 H ALA 73 2.740 -8.331 3.934 560 HA ALA 73 HA ALA 73 2.251 -5.538 4.628 561 HB1 ALA 73 1HB ALA 73 1.765 -5.478 2.456 562 HB2 ALA 73 2HB ALA 73 1.677 -7.237 2.349 563 HB3 ALA 73 3HB ALA 73 0.266 -6.313 2.865 564 H GLY 74 H GLY 74 1.831 -7.403 6.708 565 HA2 GLY 74 1HA GLY 74 -1.051 -6.998 7.123 566 HA3 GLY 74 2HA GLY 74 -0.371 -8.599 7.379 567 H LYS 75 H LYS 75 1.978 -8.070 8.652 568 HA LYS 75 HA LYS 75 1.114 -7.572 11.301 569 HB2 LYS 75 1HB LYS 75 3.704 -8.160 9.968 570 HB3 LYS 75 2HB LYS 75 3.776 -7.427 11.565 571 HG2 LYS 75 1HG LYS 75 2.000 -9.775 11.184 572 HG3 LYS 75 2HG LYS 75 3.744 -10.040 11.236 573 HD2 LYS 75 1HD LYS 75 3.754 -8.704 13.382 574 HD3 LYS 75 2HD LYS 75 1.992 -8.802 13.350 575 HE2 LYS 75 1HE LYS 75 2.527 -11.381 13.021 576 HE3 LYS 75 2HE LYS 75 4.014 -10.921 13.849 577 HZ1 LYS 75 1HZ LYS 75 2.185 -11.684 15.331 578 HZ2 LYS 75 2HZ LYS 75 1.304 -10.309 14.889 579 HZ3 LYS 75 3HZ LYS 75 2.778 -10.143 15.703 580 H GLN 76 H GLN 76 3.357 -5.740 9.216 581 HA GLN 76 HA GLN 76 3.700 -3.559 10.919 582 HB2 GLN 76 1HB GLN 76 4.738 -2.481 9.135 583 HB3 GLN 76 2HB GLN 76 4.939 -4.182 8.733 584 HG2 GLN 76 1HG GLN 76 3.140 -4.081 7.152 585 HG3 GLN 76 2HG GLN 76 2.751 -2.432 7.639 586 HE21 GLN 76 1HE2 GLN 76 3.957 -4.039 5.191 587 HE22 GLN 76 2HE2 GLN 76 5.158 -2.940 4.611 588 H LYS 77 H LYS 77 2.595 -1.711 11.299 589 HA LYS 77 HA LYS 77 -0.001 -1.409 9.934 590 HB2 LYS 77 1HB LYS 77 0.161 -1.959 12.494 591 HB3 LYS 77 2HB LYS 77 0.537 -0.247 12.642 592 HG2 LYS 77 1HG LYS 77 -1.561 0.408 11.891 593 HG3 LYS 77 2HG LYS 77 -1.887 -1.157 11.141 594 HD2 LYS 77 1HD LYS 77 -3.215 -1.097 13.089 595 HD3 LYS 77 2HD LYS 77 -1.837 -2.126 13.489 596 HE2 LYS 77 1HE LYS 77 -0.810 -0.416 14.757 597 HE3 LYS 77 2HE LYS 77 -1.897 0.815 14.117 598 HZ1 LYS 77 1HZ LYS 77 -3.726 -0.247 15.289 599 HZ2 LYS 77 2HZ LYS 77 -2.501 0.196 16.367 600 HZ3 LYS 77 3HZ LYS 77 -2.679 -1.423 15.908 601 H LEU 78 H LEU 78 0.063 0.216 8.533 602 HA LEU 78 HA LEU 78 1.939 2.387 8.820 603 HB2 LEU 78 1HB LEU 78 -0.242 1.944 6.787 604 HB3 LEU 78 2HB LEU 78 1.014 3.177 6.696 605 HG LEU 78 HG LEU 78 1.430 0.192 6.546 606 HD11 LEU 78 1HD1 LEU 78 1.247 0.366 4.341 607 HD12 LEU 78 2HD1 LEU 78 2.329 1.757 4.300 608 HD13 LEU 78 3HD1 LEU 78 0.605 1.991 4.586 609 HD21 LEU 78 1HD2 LEU 78 3.411 2.456 6.336 610 HD22 LEU 78 2HD2 LEU 78 3.759 0.752 6.046 611 HD23 LEU 78 3HD2 LEU 78 3.295 1.296 7.659 612 H GLN 79 H GLN 79 1.565 4.228 9.851 613 HA GLN 79 HA GLN 79 -1.217 4.947 10.475 614 HB2 GLN 79 1HB GLN 79 0.590 4.539 12.304 615 HB3 GLN 79 2HB GLN 79 1.171 6.135 11.849 616 HG2 GLN 79 1HG GLN 79 -1.153 6.987 12.279 617 HG3 GLN 79 2HG GLN 79 -1.518 5.407 12.972 618 HE21 GLN 79 1HE2 GLN 79 -1.908 7.359 14.634 619 HE22 GLN 79 2HE2 GLN 79 -0.637 7.518 15.793 620 H TYR 80 H TYR 80 -2.036 6.907 9.922 621 HA TYR 80 HA TYR 80 -0.242 8.866 8.677 622 HB2 TYR 80 1HB TYR 80 -1.054 7.919 6.723 623 HB3 TYR 80 2HB TYR 80 -2.616 7.531 7.435 624 HD1 TYR 80 1HD TYR 80 -0.538 10.456 6.412 625 HD2 TYR 80 2HD TYR 80 -4.450 8.873 6.958 626 HE1 TYR 80 1HE TYR 80 -1.494 12.485 5.402 627 HE2 TYR 80 2HE TYR 80 -5.416 10.897 5.948 628 HH TYR 80 HH TYR 80 -3.832 12.974 4.115 629 H GLU 81 H GLU 81 -0.625 10.899 9.300 630 HA GLU 81 HA GLU 81 -1.464 12.547 10.664 631 HB2 GLU 81 1HB GLU 81 -3.714 11.758 8.838 632 HB3 GLU 81 2HB GLU 81 -3.925 13.054 10.007 633 HG2 GLU 81 1HG GLU 81 -1.624 13.066 8.097 634 HG3 GLU 81 2HG GLU 81 -3.216 13.648 7.613 635 H GLY 82 H GLY 82 -1.341 10.219 12.113 636 HA2 GLY 82 1HA GLY 82 -2.094 9.382 14.118 637 HA3 GLY 82 2HA GLY 82 -3.227 10.724 14.172 638 H ILE 83 H ILE 83 -3.082 8.345 11.592 639 HA ILE 83 HA ILE 83 -5.632 7.224 12.550 640 HB ILE 83 HB ILE 83 -4.932 7.759 9.662 641 HG12 ILE 83 1HG1 ILE 83 -7.057 9.138 11.299 642 HG13 ILE 83 2HG1 ILE 83 -5.428 9.784 11.141 643 HG21 ILE 83 1HG2 ILE 83 -7.415 7.252 9.395 644 HG22 ILE 83 2HG2 ILE 83 -6.347 5.888 9.719 645 HG23 ILE 83 3HG2 ILE 83 -7.331 6.564 11.017 646 HD11 ILE 83 1HD1 ILE 83 -7.017 9.123 8.704 647 HD12 ILE 83 2HD1 ILE 83 -7.296 10.631 9.575 648 HD13 ILE 83 3HD1 ILE 83 -5.702 10.279 8.907 649 H PHE 84 H PHE 84 -6.095 5.055 11.839 650 HA PHE 84 HA PHE 84 -3.640 3.495 11.451 651 HB2 PHE 84 1HB PHE 84 -6.339 2.788 12.599 652 HB3 PHE 84 2HB PHE 84 -5.134 1.567 12.200 653 HD1 PHE 84 2HD PHE 84 -2.649 2.519 13.104 654 HD2 PHE 84 1HD PHE 84 -6.482 3.120 14.855 655 HE1 PHE 84 2HE PHE 84 -1.591 2.848 15.301 656 HE2 PHE 84 1HE PHE 84 -5.429 3.450 17.054 657 HZ PHE 84 HZ PHE 84 -2.981 3.313 17.280 658 H ILE 85 H ILE 85 -4.001 4.373 9.129 659 HA ILE 85 HA ILE 85 -6.007 3.455 7.454 660 HB ILE 85 HB ILE 85 -4.232 3.576 5.626 661 HG12 ILE 85 1HG1 ILE 85 -2.568 4.688 7.894 662 HG13 ILE 85 2HG1 ILE 85 -2.325 3.099 7.177 663 HG21 ILE 85 1HG2 ILE 85 -5.410 5.503 5.639 664 HG22 ILE 85 2HG2 ILE 85 -5.212 5.739 7.375 665 HG23 ILE 85 3HG2 ILE 85 -3.902 6.164 6.273 666 HD11 ILE 85 1HD1 ILE 85 -2.236 4.621 4.969 667 HD12 ILE 85 2HD1 ILE 85 -1.618 5.764 6.162 668 HD13 ILE 85 3HD1 ILE 85 -0.821 4.207 5.936 669 H LYS 86 H LYS 86 -6.599 1.504 6.796 670 HA LYS 86 HA LYS 86 -4.592 -0.651 6.767 671 HB2 LYS 86 1HB LYS 86 -7.356 -0.634 7.922 672 HB3 LYS 86 2HB LYS 86 -6.685 -2.134 7.297 673 HG2 LYS 86 1HG LYS 86 -5.033 -2.223 8.916 674 HG3 LYS 86 2HG LYS 86 -5.142 -0.495 9.264 675 HD2 LYS 86 1HD LYS 86 -7.541 -2.180 9.766 676 HD3 LYS 86 2HD LYS 86 -6.182 -2.316 10.884 677 HE2 LYS 86 1HE LYS 86 -6.303 -0.031 11.462 678 HE3 LYS 86 2HE LYS 86 -7.368 0.335 10.105 679 HZ1 LYS 86 1HZ LYS 86 -8.039 -0.518 12.728 680 HZ2 LYS 86 2HZ LYS 86 -8.677 -1.586 11.581 681 HZ3 LYS 86 3HZ LYS 86 -9.050 0.062 11.502 682 H ASP 87 H ASP 87 -5.169 -2.468 5.333 683 HA ASP 87 HA ASP 87 -5.874 -1.539 2.755 684 HB2 ASP 87 1HB ASP 87 -5.860 -4.042 2.206 685 HB3 ASP 87 2HB ASP 87 -4.362 -3.348 2.820 686 H SER 88 H SER 88 -7.764 -2.505 5.382 687 HA SER 88 HA SER 88 -9.958 -3.641 3.940 688 HB2 SER 88 1HB SER 88 -9.656 -2.599 6.757 689 HB3 SER 88 2HB SER 88 -11.185 -3.225 6.140 690 HG SER 88 HG SER 88 -9.298 -4.626 7.198 691 H ASN 89 H ASN 89 -9.000 -0.430 4.894 692 HA ASN 89 HA ASN 89 -11.552 0.648 3.911 693 HB2 ASN 89 1HB ASN 89 -10.553 2.815 4.970 694 HB3 ASN 89 2HB ASN 89 -11.232 1.574 6.020 695 HD21 ASN 89 1HD2 ASN 89 -10.003 0.780 7.584 696 HD22 ASN 89 2HD2 ASN 89 -8.302 1.038 7.751 697 H SER 90 H SER 90 -11.607 2.208 2.308 698 HA SER 90 HA SER 90 -9.435 2.121 0.431 699 HB2 SER 90 1HB SER 90 -12.021 3.695 0.385 700 HB3 SER 90 2HB SER 90 -10.896 3.553 -0.965 701 HG SER 90 HG SER 90 -11.741 1.691 -1.413 702 H LEU 91 H LEU 91 -8.288 3.936 -0.393 703 HA LEU 91 HA LEU 91 -7.375 5.717 1.622 704 HB2 LEU 91 1HB LEU 91 -6.885 5.539 -1.339 705 HB3 LEU 91 2HB LEU 91 -6.148 6.784 -0.332 706 HG LEU 91 HG LEU 91 -5.772 3.932 0.441 707 HD11 LEU 91 1HD1 LEU 91 -3.771 5.021 -1.422 708 HD12 LEU 91 2HD1 LEU 91 -5.310 4.551 -2.143 709 HD13 LEU 91 3HD1 LEU 91 -4.370 3.373 -1.227 710 HD21 LEU 91 1HD2 LEU 91 -4.561 6.547 0.950 711 HD22 LEU 91 2HD2 LEU 91 -3.395 5.256 0.657 712 HD23 LEU 91 3HD2 LEU 91 -4.588 5.093 1.947 713 H ALA 92 H ALA 92 -9.434 6.112 -1.231 714 HA ALA 92 HA ALA 92 -9.736 8.849 -1.278 715 HB1 ALA 92 1HB ALA 92 -11.642 6.630 -1.946 716 HB2 ALA 92 2HB ALA 92 -12.087 8.325 -2.147 717 HB3 ALA 92 3HB ALA 92 -10.716 7.662 -3.037 718 H TYR 93 H TYR 93 -11.525 6.496 0.688 719 HA TYR 93 HA TYR 93 -13.404 8.124 1.853 720 HB2 TYR 93 1HB TYR 93 -13.366 5.731 2.250 721 HB3 TYR 93 2HB TYR 93 -11.845 5.866 3.124 722 HD1 TYR 93 1HD TYR 93 -11.807 7.053 5.334 723 HD2 TYR 93 2HD TYR 93 -15.438 6.086 3.338 724 HE1 TYR 93 1HE TYR 93 -13.039 7.355 7.442 725 HE2 TYR 93 2HE TYR 93 -16.680 6.387 5.440 726 HH TYR 93 HH TYR 93 -16.372 6.452 7.767 727 H TYR 94 H TYR 94 -10.052 7.612 2.903 728 HA TYR 94 HA TYR 94 -10.186 9.298 5.165 729 HB2 TYR 94 1HB TYR 94 -7.873 8.315 3.496 730 HB3 TYR 94 2HB TYR 94 -7.651 9.322 4.922 731 HD1 TYR 94 2HD TYR 94 -9.515 8.270 6.851 732 HD2 TYR 94 1HD TYR 94 -7.159 6.174 3.995 733 HE1 TYR 94 2HE TYR 94 -9.576 6.269 8.279 734 HE2 TYR 94 1HE TYR 94 -7.214 4.166 5.414 735 HH TYR 94 HH TYR 94 -9.317 3.861 8.084 736 H ASN 95 H ASN 95 -9.827 9.927 1.790 737 HA ASN 95 HA ASN 95 -9.645 11.843 0.579 738 HB2 ASN 95 1HB ASN 95 -10.712 12.870 3.191 739 HB3 ASN 95 2HB ASN 95 -10.276 13.997 1.909 740 HD21 ASN 95 1HD2 ASN 95 -12.316 11.258 2.721 741 HD22 ASN 95 2HD2 ASN 95 -13.541 11.585 1.548 742 H MET 96 H MET 96 -7.257 10.935 1.217 743 HA MET 96 HA MET 96 -5.636 12.736 2.716 744 HB2 MET 96 1HB MET 96 -4.804 10.695 0.647 745 HB3 MET 96 2HB MET 96 -3.748 11.466 1.822 746 HG2 MET 96 1HG MET 96 -4.990 10.407 3.637 747 HG3 MET 96 2HG MET 96 -6.049 9.635 2.459 748 HE1 MET 96 1HE MET 96 -4.013 6.787 4.018 749 HE2 MET 96 2HE MET 96 -5.399 7.864 4.188 750 HE3 MET 96 3HE MET 96 -5.316 6.741 2.830 751 H ALA 97 H ALA 97 -3.514 13.506 1.442 752 HA ALA 97 HA ALA 97 -4.323 14.835 -1.046 753 HB1 ALA 97 1HB ALA 97 -3.735 16.972 -0.338 754 HB2 ALA 97 2HB ALA 97 -4.597 16.304 1.048 755 HB3 ALA 97 3HB ALA 97 -2.834 16.368 1.053 756 H SER 98 H SER 98 -2.553 15.561 -2.358 757 HA SER 98 HA SER 98 -0.508 13.755 -2.694 758 HB2 SER 98 1HB SER 98 0.573 15.435 -4.124 759 HB3 SER 98 2HB SER 98 -1.167 15.398 -4.404 760 HG SER 98 HG SER 98 0.355 17.455 -3.638 761 H GLY 99 H GLY 99 1.908 14.345 -2.626 762 HA2 GLY 99 1HA GLY 99 3.745 14.540 -1.254 763 HA3 GLY 99 2HA GLY 99 3.061 16.111 -0.864 764 H ALA 100 H ALA 100 1.646 12.964 -0.128 765 HA ALA 100 HA ALA 100 1.418 13.714 2.656 766 HB1 ALA 100 1HB ALA 100 0.653 10.999 1.740 767 HB2 ALA 100 2HB ALA 100 -0.178 12.103 2.836 768 HB3 ALA 100 3HB ALA 100 -0.252 12.368 1.094 769 H VAL 101 H VAL 101 1.846 11.848 4.284 770 HA VAL 101 HA VAL 101 4.324 10.420 3.653 771 HB VAL 101 HB VAL 101 4.988 12.550 4.715 772 HG11 VAL 101 1HG1 VAL 101 2.750 12.193 6.274 773 HG12 VAL 101 2HG1 VAL 101 4.073 11.835 7.385 774 HG13 VAL 101 3HG1 VAL 101 4.019 13.386 6.546 775 HG21 VAL 101 1HG2 VAL 101 6.350 11.539 6.539 776 HG22 VAL 101 2HG2 VAL 101 5.430 10.048 6.339 777 HG23 VAL 101 3HG2 VAL 101 6.427 10.653 5.016 778 H ILE 102 H ILE 102 3.827 8.361 4.012 779 HA ILE 102 HA ILE 102 1.916 7.648 6.092 780 HB ILE 102 HB ILE 102 3.296 5.930 4.027 781 HG12 ILE 102 1HG1 ILE 102 1.660 7.561 3.121 782 HG13 ILE 102 2HG1 ILE 102 1.142 5.893 2.902 783 HG21 ILE 102 1HG2 ILE 102 1.306 4.384 4.753 784 HG22 ILE 102 2HG2 ILE 102 2.817 4.393 5.660 785 HG23 ILE 102 3HG2 ILE 102 1.426 5.297 6.257 786 HD11 ILE 102 1HD1 ILE 102 -0.242 8.024 4.135 787 HD12 ILE 102 2HD1 ILE 102 -0.762 6.352 3.917 788 HD13 ILE 102 3HD1 ILE 102 0.112 6.821 5.375 789 H HIS 103 H HIS 103 2.824 7.663 8.069 790 HA HIS 103 HA HIS 103 5.523 6.853 8.557 791 HB2 HIS 103 1HB HIS 103 3.206 7.580 10.335 792 HB3 HIS 103 2HB HIS 103 4.719 6.978 11.004 793 HD1 HIS 103 1HD HIS 103 6.878 8.455 9.782 794 HD2 HIS 103 2HD HIS 103 3.194 10.268 10.420 795 HE1 HIS 103 1HE HIS 103 7.336 10.928 9.781 796 HE2 HIS 103 2HE HIS 103 5.108 12.001 10.254 797 H LEU 104 H LEU 104 6.310 4.930 9.215 798 HA LEU 104 HA LEU 104 4.514 2.650 9.119 799 HB2 LEU 104 1HB LEU 104 6.977 2.974 8.149 800 HB3 LEU 104 2HB LEU 104 7.396 2.321 9.731 801 HG LEU 104 HG LEU 104 5.443 0.892 7.965 802 HD11 LEU 104 1HD1 LEU 104 7.614 1.437 6.742 803 HD12 LEU 104 2HD1 LEU 104 7.136 -0.258 6.829 804 HD13 LEU 104 3HD1 LEU 104 8.395 0.359 7.898 805 HD21 LEU 104 1HD2 LEU 104 6.047 -1.004 9.238 806 HD22 LEU 104 2HD2 LEU 104 5.818 0.307 10.395 807 HD23 LEU 104 3HD2 LEU 104 7.447 -0.187 9.931 808 H ALA 105 H ALA 105 3.774 1.577 10.835 809 HA ALA 105 HA ALA 105 5.110 1.965 13.428 810 HB1 ALA 105 1HB ALA 105 2.148 1.708 13.374 811 HB2 ALA 105 2HB ALA 105 3.192 2.536 14.531 812 HB3 ALA 105 3HB ALA 105 2.865 3.265 12.959 813 H LEU 106 H LEU 106 5.620 0.112 14.389 814 HA LEU 106 HA LEU 106 4.834 -2.395 13.257 815 HB2 LEU 106 1HB LEU 106 7.018 -1.621 14.558 816 HB3 LEU 106 2HB LEU 106 6.116 -2.257 15.932 817 HG LEU 106 HG LEU 106 6.838 -3.819 13.452 818 HD11 LEU 106 1HD1 LEU 106 8.864 -3.880 14.396 819 HD12 LEU 106 2HD1 LEU 106 8.125 -4.985 15.555 820 HD13 LEU 106 3HD1 LEU 106 8.272 -3.271 15.942 821 HD21 LEU 106 1HD2 LEU 106 5.263 -4.426 15.909 822 HD22 LEU 106 2HD2 LEU 106 6.232 -5.702 15.173 823 HD23 LEU 106 3HD2 LEU 106 4.970 -4.900 14.236 824 H LYS 107 H LYS 107 3.060 -3.505 13.702 825 HA LYS 107 HA LYS 107 1.269 -2.709 15.783 826 HB2 LYS 107 1HB LYS 107 0.790 -3.815 13.449 827 HB3 LYS 107 2HB LYS 107 1.009 -5.318 14.336 828 HG2 LYS 107 1HG LYS 107 -0.765 -4.655 15.887 829 HG3 LYS 107 2HG LYS 107 -0.993 -3.160 14.976 830 HD2 LYS 107 1HD LYS 107 -1.443 -4.604 12.954 831 HD3 LYS 107 2HD LYS 107 -1.487 -5.985 14.053 832 HE2 LYS 107 1HE LYS 107 -3.308 -4.939 15.300 833 HE3 LYS 107 2HE LYS 107 -3.253 -3.544 14.224 834 HZ1 LYS 107 1HZ LYS 107 -3.850 -4.992 12.381 835 HZ2 LYS 107 2HZ LYS 107 -5.020 -5.059 13.600 836 HZ3 LYS 107 3HZ LYS 107 -3.913 -6.326 13.420 837 H GLU 108 H GLU 108 0.673 -3.828 17.640 838 HA GLU 108 HA GLU 108 2.772 -5.449 18.794 839 HB2 GLU 108 1HB GLU 108 1.418 -3.592 19.972 840 HB3 GLU 108 2HB GLU 108 0.150 -4.801 20.115 841 HG2 GLU 108 1HG GLU 108 1.279 -4.926 22.138 842 HG3 GLU 108 2HG GLU 108 1.927 -6.275 21.207 843 H ARG 109 H ARG 109 2.695 -7.588 19.253 844 HA ARG 109 HA ARG 109 0.679 -9.156 17.915 845 HB2 ARG 109 1HB ARG 109 2.031 -11.075 18.530 846 HB3 ARG 109 2HB ARG 109 3.060 -9.807 17.879 847 HG2 ARG 109 1HG ARG 109 3.530 -9.142 20.274 848 HG3 ARG 109 2HG ARG 109 2.748 -10.653 20.741 849 HD2 ARG 109 1HD ARG 109 4.367 -11.825 19.200 850 HD3 ARG 109 2HD ARG 109 5.226 -10.290 19.073 851 HE ARG 109 HE ARG 109 4.861 -10.978 21.788 852 HH11 ARG 109 2HH1 ARG 109 6.712 -11.862 18.974 853 HH12 ARG 109 1HH1 ARG 109 8.061 -12.452 19.887 854 HH21 ARG 109 2HH2 ARG 109 6.632 -11.751 23.000 855 HH22 ARG 109 1HH2 ARG 109 8.015 -12.389 22.176 856 H SER 110 H SER 110 -0.940 -10.323 18.813 857 HA SER 110 HA SER 110 -1.156 -10.356 21.746 858 HB2 SER 110 1HB SER 110 -2.602 -8.562 20.893 859 HB3 SER 110 2HB SER 110 -3.400 -9.708 19.816 860 HG SER 110 HG SER 110 -3.678 -10.858 22.043 861 H GLY 111 H GLY 111 -2.677 -11.623 18.774 862 HA2 GLY 111 1HA GLY 111 -2.221 -14.335 19.551 863 HA3 GLY 111 2HA GLY 111 -3.894 -13.864 19.810 864 HA PRO 112 HA PRO 112 -3.229 -13.399 15.058 865 HB2 PRO 112 1HB PRO 112 -0.797 -14.081 14.062 866 HB3 PRO 112 2HB PRO 112 -1.188 -12.445 14.606 867 HG2 PRO 112 1HG PRO 112 0.291 -14.617 16.041 868 HG3 PRO 112 2HG PRO 112 0.664 -12.886 15.942 869 HD2 PRO 112 1HD PRO 112 -0.544 -13.995 18.097 870 HD3 PRO 112 2HD PRO 112 -0.875 -12.333 17.567 871 H SER 113 H SER 113 -1.388 -16.007 16.590 872 HA SER 113 HA SER 113 -1.667 -17.971 14.646 873 HB2 SER 113 1HB SER 113 -1.554 -18.232 17.658 874 HB3 SER 113 2HB SER 113 -1.429 -19.596 16.547 875 HG SER 113 HG SER 113 0.267 -17.378 16.233 876 H SER 114 H SER 114 -3.015 -20.016 14.958 877 HA SER 114 HA SER 114 -5.712 -19.410 14.584 878 HB2 SER 114 1HB SER 114 -4.495 -21.501 13.832 879 HB3 SER 114 2HB SER 114 -4.660 -22.097 15.484 880 HG SER 114 HG SER 114 -6.350 -22.687 13.876 881 H GLY 115 H GLY 115 -7.233 -18.829 15.977 882 HA2 GLY 115 1HA GLY 115 -8.581 -19.002 17.875 883 HA3 GLY 115 2HA GLY 115 -7.403 -20.097 18.583 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -15.739 33.434 -2.209 2 HA2 GLY 1 1HA GLY 1 -12.816 33.559 -1.987 3 HA3 GLY 1 2HA GLY 1 -13.772 34.666 -1.013 4 H SER 2 H SER 2 -12.370 31.610 -1.170 5 HA SER 2 HA SER 2 -13.406 30.937 1.445 6 HB2 SER 2 1HB SER 2 -14.191 29.458 -1.022 7 HB3 SER 2 2HB SER 2 -13.842 28.511 0.425 8 HG SER 2 HG SER 2 -16.089 29.289 0.089 9 H SER 3 H SER 3 -11.904 29.926 2.636 10 HA SER 3 HA SER 3 -9.383 29.242 1.335 11 HB2 SER 3 1HB SER 3 -9.209 30.700 3.260 12 HB3 SER 3 2HB SER 3 -10.121 29.563 4.253 13 HG SER 3 HG SER 3 -7.723 28.788 2.991 14 H GLY 4 H GLY 4 -8.240 27.274 1.910 15 HA2 GLY 4 1HA GLY 4 -10.086 25.015 2.041 16 HA3 GLY 4 2HA GLY 4 -8.390 24.948 1.585 17 H SER 5 H SER 5 -10.641 25.090 4.266 18 HA SER 5 HA SER 5 -8.453 24.388 6.105 19 HB2 SER 5 1HB SER 5 -11.176 25.590 6.644 20 HB3 SER 5 2HB SER 5 -10.071 25.057 7.910 21 HG SER 5 HG SER 5 -9.816 27.272 7.514 22 H SER 6 H SER 6 -8.301 22.323 6.637 23 HA SER 6 HA SER 6 -10.129 20.344 5.901 24 HB2 SER 6 1HB SER 6 -8.800 18.824 7.235 25 HB3 SER 6 2HB SER 6 -7.716 19.962 6.435 26 HG SER 6 HG SER 6 -7.489 21.067 8.356 27 H GLY 7 H GLY 7 -11.522 19.019 7.165 28 HA2 GLY 7 1HA GLY 7 -12.838 20.528 9.300 29 HA3 GLY 7 2HA GLY 7 -13.515 19.159 8.430 30 H THR 8 H THR 8 -13.256 17.125 9.222 31 HA THR 8 HA THR 8 -11.325 16.529 11.270 32 HB THR 8 HB THR 8 -14.112 16.013 12.181 33 HG1 THR 8 1HG THR 8 -12.812 18.546 12.312 34 HG21 THR 8 1HG2 THR 8 -12.746 15.185 13.781 35 HG22 THR 8 2HG2 THR 8 -12.694 16.863 14.323 36 HG23 THR 8 3HG2 THR 8 -11.398 16.222 13.313 37 H GLU 9 H GLU 9 -11.275 14.273 11.833 38 HA GLU 9 HA GLU 9 -11.554 12.527 9.725 39 HB2 GLU 9 1HB GLU 9 -11.356 12.133 12.686 40 HB3 GLU 9 2HB GLU 9 -11.651 10.743 11.650 41 HG2 GLU 9 1HG GLU 9 -9.379 10.693 11.763 42 HG3 GLU 9 2HG GLU 9 -9.597 11.689 10.326 43 H ASP 10 H ASP 10 -13.860 13.220 12.310 44 HA ASP 10 HA ASP 10 -15.754 11.248 11.502 45 HB2 ASP 10 1HB ASP 10 -17.097 12.032 13.227 46 HB3 ASP 10 2HB ASP 10 -15.489 12.476 13.792 47 H SER 11 H SER 11 -15.334 14.690 10.856 48 HA SER 11 HA SER 11 -17.677 14.647 9.091 49 HB2 SER 11 1HB SER 11 -17.194 16.476 10.906 50 HB3 SER 11 2HB SER 11 -16.099 17.128 9.687 51 HG SER 11 HG SER 11 -18.532 16.472 8.655 52 H LEU 12 H LEU 12 -15.685 13.187 8.046 53 HA LEU 12 HA LEU 12 -14.047 14.829 6.305 54 HB2 LEU 12 1HB LEU 12 -14.228 11.948 6.984 55 HB3 LEU 12 2HB LEU 12 -13.575 12.370 5.403 56 HG LEU 12 HG LEU 12 -12.467 13.539 7.940 57 HD11 LEU 12 1HD1 LEU 12 -12.416 11.057 8.052 58 HD12 LEU 12 2HD1 LEU 12 -10.819 11.803 8.007 59 HD13 LEU 12 3HD1 LEU 12 -11.482 11.051 6.556 60 HD21 LEU 12 1HD2 LEU 12 -11.354 13.145 5.164 61 HD22 LEU 12 2HD2 LEU 12 -10.468 13.817 6.533 62 HD23 LEU 12 3HD2 LEU 12 -11.867 14.672 5.883 63 H MET 13 H MET 13 -14.126 14.770 4.025 64 HA MET 13 HA MET 13 -16.712 14.854 2.919 65 HB2 MET 13 1HB MET 13 -13.938 15.034 1.863 66 HB3 MET 13 2HB MET 13 -15.219 14.692 0.707 67 HG2 MET 13 1HG MET 13 -15.170 16.965 0.607 68 HG3 MET 13 2HG MET 13 -16.383 16.731 1.863 69 HE1 MET 13 1HE MET 13 -15.232 18.034 4.917 70 HE2 MET 13 2HE MET 13 -15.849 19.170 3.718 71 HE3 MET 13 3HE MET 13 -16.490 17.528 3.789 72 HA PRO 14 HA PRO 14 -17.592 10.749 1.646 73 HB2 PRO 14 1HB PRO 14 -18.734 11.121 -0.789 74 HB3 PRO 14 2HB PRO 14 -19.538 11.552 0.725 75 HG2 PRO 14 1HG PRO 14 -18.059 13.305 -1.199 76 HG3 PRO 14 2HG PRO 14 -19.593 13.607 -0.362 77 HD2 PRO 14 1HD PRO 14 -17.244 14.662 0.475 78 HD3 PRO 14 2HD PRO 14 -18.547 14.222 1.598 79 H GLU 15 H GLU 15 -17.568 9.430 -0.647 80 HA GLU 15 HA GLU 15 -14.743 9.384 -1.360 81 HB2 GLU 15 1HB GLU 15 -16.002 7.306 -0.690 82 HB3 GLU 15 2HB GLU 15 -16.906 7.447 -2.191 83 HG2 GLU 15 1HG GLU 15 -14.652 7.405 -3.367 84 HG3 GLU 15 2HG GLU 15 -13.986 6.879 -1.822 85 H GLU 16 H GLU 16 -17.909 9.597 -2.950 86 HA GLU 16 HA GLU 16 -17.046 9.707 -5.592 87 HB2 GLU 16 1HB GLU 16 -19.447 10.820 -4.175 88 HB3 GLU 16 2HB GLU 16 -19.189 11.148 -5.882 89 HG2 GLU 16 1HG GLU 16 -19.162 8.350 -4.824 90 HG3 GLU 16 2HG GLU 16 -20.672 9.166 -5.224 91 H GLU 17 H GLU 17 -17.886 12.478 -3.504 92 HA GLU 17 HA GLU 17 -17.124 14.522 -5.177 93 HB2 GLU 17 1HB GLU 17 -18.253 14.823 -2.993 94 HB3 GLU 17 2HB GLU 17 -16.741 14.447 -2.179 95 HG2 GLU 17 1HG GLU 17 -15.799 16.456 -2.688 96 HG3 GLU 17 2HG GLU 17 -16.742 16.650 -4.165 97 H PHE 18 H PHE 18 -15.079 12.908 -2.746 98 HA PHE 18 HA PHE 18 -12.735 14.196 -2.930 99 HB2 PHE 18 1HB PHE 18 -12.853 12.270 -1.540 100 HB3 PHE 18 2HB PHE 18 -13.213 11.218 -2.905 101 HD1 PHE 18 1HD PHE 18 -11.456 10.525 -4.439 102 HD2 PHE 18 2HD PHE 18 -10.606 12.955 -1.049 103 HE1 PHE 18 1HE PHE 18 -9.061 10.012 -4.676 104 HE2 PHE 18 2HE PHE 18 -8.210 12.447 -1.282 105 HZ PHE 18 HZ PHE 18 -7.434 10.975 -3.098 106 H LEU 19 H LEU 19 -13.504 11.497 -5.136 107 HA LEU 19 HA LEU 19 -11.377 11.702 -6.848 108 HB2 LEU 19 1HB LEU 19 -14.217 11.121 -7.674 109 HB3 LEU 19 2HB LEU 19 -12.755 10.648 -8.537 110 HG LEU 19 HG LEU 19 -13.531 9.637 -5.802 111 HD11 LEU 19 1HD1 LEU 19 -13.540 7.750 -8.020 112 HD12 LEU 19 2HD1 LEU 19 -14.765 9.009 -8.171 113 HD13 LEU 19 3HD1 LEU 19 -14.718 7.993 -6.730 114 HD21 LEU 19 1HD2 LEU 19 -11.593 8.513 -5.754 115 HD22 LEU 19 2HD2 LEU 19 -11.057 9.703 -6.940 116 HD23 LEU 19 3HD2 LEU 19 -11.656 8.132 -7.475 117 H ARG 20 H ARG 20 -14.285 13.674 -6.770 118 HA ARG 20 HA ARG 20 -13.887 15.000 -9.233 119 HB2 ARG 20 1HB ARG 20 -15.284 16.138 -6.813 120 HB3 ARG 20 2HB ARG 20 -15.561 16.544 -8.501 121 HG2 ARG 20 1HG ARG 20 -15.976 13.728 -7.663 122 HG3 ARG 20 2HG ARG 20 -17.168 14.932 -7.169 123 HD2 ARG 20 1HD ARG 20 -16.262 14.826 -10.013 124 HD3 ARG 20 2HD ARG 20 -17.440 13.650 -9.431 125 HE ARG 20 HE ARG 20 -18.357 16.139 -8.646 126 HH11 ARG 20 2HH1 ARG 20 -17.655 14.487 -11.629 127 HH12 ARG 20 1HH1 ARG 20 -18.845 15.354 -12.541 128 HH21 ARG 20 2HH2 ARG 20 -19.927 17.288 -9.837 129 HH22 ARG 20 1HH2 ARG 20 -20.136 16.948 -11.522 130 H ARG 21 H ARG 21 -12.597 15.480 -6.031 131 HA ARG 21 HA ARG 21 -11.368 18.015 -6.829 132 HB2 ARG 21 1HB ARG 21 -11.971 16.696 -4.233 133 HB3 ARG 21 2HB ARG 21 -10.557 17.740 -4.297 134 HG2 ARG 21 1HG ARG 21 -13.106 18.785 -5.400 135 HG3 ARG 21 2HG ARG 21 -12.945 18.655 -3.647 136 HD2 ARG 21 1HD ARG 21 -10.852 19.961 -3.780 137 HD3 ARG 21 2HD ARG 21 -11.105 20.145 -5.515 138 HE ARG 21 HE ARG 21 -13.395 21.114 -4.476 139 HH11 ARG 21 2HH1 ARG 21 -10.038 21.749 -3.807 140 HH12 ARG 21 1HH1 ARG 21 -10.308 23.393 -3.333 141 HH21 ARG 21 2HH2 ARG 21 -13.764 23.278 -3.854 142 HH22 ARG 21 1HH2 ARG 21 -12.428 24.261 -3.359 143 H ASN 22 H ASN 22 -10.240 15.225 -4.915 144 HA ASN 22 HA ASN 22 -7.551 15.618 -5.938 145 HB2 ASN 22 1HB ASN 22 -8.611 13.609 -3.937 146 HB3 ASN 22 2HB ASN 22 -6.912 13.890 -4.307 147 HD21 ASN 22 1HD2 ASN 22 -9.827 15.446 -3.080 148 HD22 ASN 22 2HD2 ASN 22 -9.011 16.567 -2.049 149 H LYS 23 H LYS 23 -6.538 14.358 -7.392 150 HA LYS 23 HA LYS 23 -7.896 11.906 -8.290 151 HB2 LYS 23 1HB LYS 23 -8.198 13.899 -9.844 152 HB3 LYS 23 2HB LYS 23 -6.470 13.800 -10.154 153 HG2 LYS 23 1HG LYS 23 -7.486 12.647 -11.920 154 HG3 LYS 23 2HG LYS 23 -6.877 11.392 -10.838 155 HD2 LYS 23 1HD LYS 23 -8.987 10.593 -11.219 156 HD3 LYS 23 2HD LYS 23 -9.297 11.600 -9.802 157 HE2 LYS 23 1HE LYS 23 -9.617 12.561 -12.640 158 HE3 LYS 23 2HE LYS 23 -10.932 11.867 -11.692 159 HZ1 LYS 23 1HZ LYS 23 -9.584 14.447 -11.391 160 HZ2 LYS 23 2HZ LYS 23 -10.155 13.688 -9.992 161 HZ3 LYS 23 3HZ LYS 23 -11.226 14.064 -11.246 162 H GLY 24 H GLY 24 -4.883 13.708 -7.982 163 HA2 GLY 24 1HA GLY 24 -2.828 12.784 -7.319 164 HA3 GLY 24 2HA GLY 24 -3.451 11.184 -7.694 165 HA PRO 25 HA PRO 25 -1.917 9.948 -8.007 166 HB2 PRO 25 1HB PRO 25 0.747 9.525 -8.318 167 HB3 PRO 25 2HB PRO 25 -0.472 8.789 -9.366 168 HG2 PRO 25 1HG PRO 25 1.226 11.207 -9.845 169 HG3 PRO 25 2HG PRO 25 0.820 9.887 -10.957 170 HD2 PRO 25 1HD PRO 25 -0.431 12.287 -11.027 171 HD3 PRO 25 2HD PRO 25 -1.251 10.770 -11.450 172 H VAL 26 H VAL 26 -1.060 9.958 -5.922 173 HA VAL 26 HA VAL 26 0.047 12.540 -5.069 174 HB VAL 26 HB VAL 26 -0.653 11.887 -2.793 175 HG11 VAL 26 1HG1 VAL 26 -2.157 13.209 -4.160 176 HG12 VAL 26 2HG1 VAL 26 -2.829 11.743 -4.878 177 HG13 VAL 26 3HG1 VAL 26 -3.077 12.082 -3.164 178 HG21 VAL 26 1HG2 VAL 26 -0.524 9.516 -2.867 179 HG22 VAL 26 2HG2 VAL 26 -2.219 9.924 -2.604 180 HG23 VAL 26 3HG2 VAL 26 -1.670 9.429 -4.205 181 H SER 27 H SER 27 2.019 12.707 -4.178 182 HA SER 27 HA SER 27 3.703 10.339 -4.156 183 HB2 SER 27 1HB SER 27 4.198 13.293 -4.024 184 HB3 SER 27 2HB SER 27 5.455 12.178 -3.490 185 HG SER 27 HG SER 27 4.784 12.862 -5.982 186 H ILE 28 H ILE 28 3.550 9.116 -2.384 187 HA ILE 28 HA ILE 28 3.451 10.448 0.239 188 HB ILE 28 HB ILE 28 2.468 8.489 1.156 189 HG12 ILE 28 1HG1 ILE 28 1.978 6.582 -0.646 190 HG13 ILE 28 2HG1 ILE 28 3.454 7.227 -1.357 191 HG21 ILE 28 1HG2 ILE 28 0.392 8.469 0.088 192 HG22 ILE 28 2HG2 ILE 28 1.080 10.033 -0.345 193 HG23 ILE 28 3HG2 ILE 28 1.106 8.706 -1.506 194 HD11 ILE 28 1HD1 ILE 28 3.384 5.281 0.501 195 HD12 ILE 28 2HD1 ILE 28 4.752 6.366 0.255 196 HD13 ILE 28 3HD1 ILE 28 3.579 6.701 1.528 197 H LYS 29 H LYS 29 4.918 9.949 1.824 198 HA LYS 29 HA LYS 29 7.248 8.375 0.953 199 HB2 LYS 29 1HB LYS 29 7.367 10.915 1.609 200 HB3 LYS 29 2HB LYS 29 7.341 10.289 3.253 201 HG2 LYS 29 1HG LYS 29 9.269 8.744 2.299 202 HG3 LYS 29 2HG LYS 29 9.447 10.095 1.177 203 HD2 LYS 29 1HD LYS 29 10.894 10.595 2.959 204 HD3 LYS 29 2HD LYS 29 9.464 11.590 3.245 205 HE2 LYS 29 1HE LYS 29 8.632 9.884 4.820 206 HE3 LYS 29 2HE LYS 29 10.109 8.956 4.568 207 HZ1 LYS 29 1HZ LYS 29 9.860 11.642 5.799 208 HZ2 LYS 29 2HZ LYS 29 11.342 10.955 5.364 209 HZ3 LYS 29 3HZ LYS 29 10.380 10.213 6.541 210 H VAL 30 H VAL 30 7.784 6.581 2.027 211 HA VAL 30 HA VAL 30 6.253 5.917 4.442 212 HB VAL 30 HB VAL 30 7.819 4.138 2.569 213 HG11 VAL 30 1HG1 VAL 30 6.601 3.656 5.228 214 HG12 VAL 30 2HG1 VAL 30 6.403 2.402 4.003 215 HG13 VAL 30 3HG1 VAL 30 8.019 2.923 4.481 216 HG21 VAL 30 1HG2 VAL 30 5.029 5.011 2.707 217 HG22 VAL 30 2HG2 VAL 30 5.939 4.330 1.359 218 HG23 VAL 30 3HG2 VAL 30 5.233 3.264 2.574 219 H GLN 31 H GLN 31 7.283 6.504 6.245 220 HA GLN 31 HA GLN 31 10.126 6.693 6.435 221 HB2 GLN 31 1HB GLN 31 8.538 8.120 7.725 222 HB3 GLN 31 2HB GLN 31 8.090 6.705 8.668 223 HG2 GLN 31 1HG GLN 31 10.895 7.772 8.498 224 HG3 GLN 31 2HG GLN 31 9.742 8.230 9.751 225 HE21 GLN 31 1HE2 GLN 31 12.197 6.163 8.968 226 HE22 GLN 31 2HE2 GLN 31 11.914 4.931 10.145 227 H VAL 32 H VAL 32 11.166 4.780 6.165 228 HA VAL 32 HA VAL 32 10.274 2.399 7.563 229 HB VAL 32 HB VAL 32 12.707 2.815 5.821 230 HG11 VAL 32 1HG1 VAL 32 13.337 0.741 6.314 231 HG12 VAL 32 2HG1 VAL 32 12.125 0.741 7.596 232 HG13 VAL 32 3HG1 VAL 32 11.720 0.114 5.998 233 HG21 VAL 32 1HG2 VAL 32 10.992 1.188 4.449 234 HG22 VAL 32 2HG2 VAL 32 9.887 2.325 5.221 235 HG23 VAL 32 3HG2 VAL 32 11.181 2.921 4.182 236 HA PRO 33 HA PRO 33 12.821 3.509 11.078 237 HB2 PRO 33 1HB PRO 33 12.033 1.416 12.618 238 HB3 PRO 33 2HB PRO 33 11.048 2.866 12.390 239 HG2 PRO 33 1HG PRO 33 10.843 0.203 11.036 240 HG3 PRO 33 2HG PRO 33 9.550 1.239 11.668 241 HD2 PRO 33 1HD PRO 33 10.177 1.135 9.036 242 HD3 PRO 33 2HD PRO 33 9.570 2.610 9.815 243 H ASN 34 H ASN 34 14.198 1.990 12.611 244 HA ASN 34 HA ASN 34 15.723 0.166 10.869 245 HB2 ASN 34 1HB ASN 34 17.293 1.795 11.242 246 HB3 ASN 34 2HB ASN 34 16.587 2.273 12.784 247 HD21 ASN 34 1HD2 ASN 34 17.748 1.797 14.491 248 HD22 ASN 34 2HD2 ASN 34 18.893 0.510 14.623 249 H MET 35 H MET 35 15.261 -1.862 11.424 250 HA MET 35 HA MET 35 14.796 -2.509 14.244 251 HB2 MET 35 1HB MET 35 14.019 -3.756 11.653 252 HB3 MET 35 2HB MET 35 14.225 -4.814 13.043 253 HG2 MET 35 1HG MET 35 11.892 -3.991 12.622 254 HG3 MET 35 2HG MET 35 12.518 -3.735 14.248 255 HE1 MET 35 1HE MET 35 10.285 -2.448 14.157 256 HE2 MET 35 2HE MET 35 10.255 -0.704 13.900 257 HE3 MET 35 3HE MET 35 9.938 -1.799 12.554 258 H GLN 36 H GLN 36 16.669 -2.900 15.263 259 HA GLN 36 HA GLN 36 18.790 -4.366 13.899 260 HB2 GLN 36 1HB GLN 36 19.435 -2.368 15.133 261 HB3 GLN 36 2HB GLN 36 18.721 -3.017 16.603 262 HG2 GLN 36 1HG GLN 36 20.388 -4.643 16.832 263 HG3 GLN 36 2HG GLN 36 20.937 -4.434 15.169 264 HE21 GLN 36 1HE2 GLN 36 23.051 -4.220 16.138 265 HE22 GLN 36 2HE2 GLN 36 23.549 -2.689 16.765 266 H ASP 37 H ASP 37 16.100 -5.201 15.512 267 HA ASP 37 HA ASP 37 17.112 -7.172 17.324 268 HB2 ASP 37 1HB ASP 37 14.382 -6.550 16.221 269 HB3 ASP 37 2HB ASP 37 14.662 -7.973 17.220 270 H LYS 38 H LYS 38 18.399 -7.580 14.956 271 HA LYS 38 HA LYS 38 18.661 -9.006 13.145 272 HB2 LYS 38 1HB LYS 38 19.550 -10.118 15.222 273 HB3 LYS 38 2HB LYS 38 18.034 -11.004 15.323 274 HG2 LYS 38 1HG LYS 38 19.588 -12.448 14.297 275 HG3 LYS 38 2HG LYS 38 18.519 -11.878 13.013 276 HD2 LYS 38 1HD LYS 38 20.173 -10.290 12.275 277 HD3 LYS 38 2HD LYS 38 21.217 -10.684 13.642 278 HE2 LYS 38 1HE LYS 38 21.352 -13.017 12.774 279 HE3 LYS 38 2HE LYS 38 20.454 -12.490 11.351 280 HZ1 LYS 38 1HZ LYS 38 22.206 -11.166 10.641 281 HZ2 LYS 38 2HZ LYS 38 22.987 -12.551 11.217 282 HZ3 LYS 38 3HZ LYS 38 22.956 -11.145 12.157 283 H THR 39 H THR 39 16.271 -8.064 12.651 284 HA THR 39 HA THR 39 14.378 -10.288 12.456 285 HB THR 39 HB THR 39 13.372 -8.286 13.294 286 HG1 THR 39 1HG THR 39 11.690 -8.381 11.972 287 HG21 THR 39 1HG2 THR 39 13.352 -6.195 11.914 288 HG22 THR 39 2HG2 THR 39 14.572 -6.935 10.878 289 HG23 THR 39 3HG2 THR 39 14.932 -6.615 12.574 290 H GLU 40 H GLU 40 13.329 -10.776 10.446 291 HA GLU 40 HA GLU 40 15.163 -10.660 8.211 292 HB2 GLU 40 1HB GLU 40 13.626 -12.202 7.120 293 HB3 GLU 40 2HB GLU 40 13.987 -12.751 8.750 294 HG2 GLU 40 1HG GLU 40 11.543 -11.123 8.180 295 HG3 GLU 40 2HG GLU 40 11.563 -12.866 7.913 296 H TRP 41 H TRP 41 14.091 -8.146 8.959 297 HA TRP 41 HA TRP 41 12.480 -7.523 6.572 298 HB2 TRP 41 1HB TRP 41 12.364 -6.075 9.225 299 HB3 TRP 41 2HB TRP 41 11.363 -5.761 7.810 300 HD1 TRP 41 HD TRP 41 10.835 -8.994 7.296 301 HE1 TRP 41 1HE TRP 41 9.070 -10.133 8.784 302 HE3 TRP 41 3HE TRP 41 10.723 -5.630 11.144 303 HZ2 TRP 41 2HZ TRP 41 7.798 -9.667 11.261 304 HZ3 TRP 41 3HZ TRP 41 9.204 -6.050 13.034 305 HH2 TRP 41 HH TRP 41 7.773 -8.027 13.089 306 H LYS 42 H LYS 42 13.308 -6.056 5.222 307 HA LYS 42 HA LYS 42 15.915 -5.000 5.667 308 HB2 LYS 42 1HB LYS 42 13.875 -4.457 3.505 309 HB3 LYS 42 2HB LYS 42 15.513 -3.816 3.493 310 HG2 LYS 42 1HG LYS 42 16.381 -6.126 3.501 311 HG3 LYS 42 2HG LYS 42 14.722 -6.720 3.409 312 HD2 LYS 42 1HD LYS 42 15.462 -6.741 1.190 313 HD3 LYS 42 2HD LYS 42 14.517 -5.255 1.314 314 HE2 LYS 42 1HE LYS 42 17.433 -5.118 1.879 315 HE3 LYS 42 2HE LYS 42 16.922 -5.302 0.202 316 HZ1 LYS 42 1HZ LYS 42 17.102 -2.956 1.548 317 HZ2 LYS 42 2HZ LYS 42 15.446 -3.290 1.619 318 HZ3 LYS 42 3HZ LYS 42 16.226 -3.202 0.121 319 H LEU 43 H LEU 43 15.199 -3.930 7.749 320 HA LEU 43 HA LEU 43 14.170 -1.225 7.195 321 HB2 LEU 43 1HB LEU 43 14.143 -2.615 9.862 322 HB3 LEU 43 2HB LEU 43 13.308 -1.131 9.408 323 HG LEU 43 HG LEU 43 12.632 -3.749 8.108 324 HD11 LEU 43 1HD1 LEU 43 12.388 -4.245 10.418 325 HD12 LEU 43 2HD1 LEU 43 10.777 -3.897 9.791 326 HD13 LEU 43 3HD1 LEU 43 11.635 -2.683 10.740 327 HD21 LEU 43 1HD2 LEU 43 11.880 -1.356 7.361 328 HD22 LEU 43 2HD2 LEU 43 10.745 -1.516 8.702 329 HD23 LEU 43 3HD2 LEU 43 10.726 -2.689 7.385 330 H ASN 44 H ASN 44 15.997 -0.064 6.871 331 HA ASN 44 HA ASN 44 17.865 0.093 9.130 332 HB2 ASN 44 1HB ASN 44 18.601 -0.136 6.207 333 HB3 ASN 44 2HB ASN 44 19.729 0.387 7.454 334 HD21 ASN 44 1HD2 ASN 44 21.035 -1.161 8.069 335 HD22 ASN 44 2HD2 ASN 44 20.647 -2.840 8.195 336 H GLY 45 H GLY 45 16.281 1.934 9.453 337 HA2 GLY 45 1HA GLY 45 15.625 4.146 9.142 338 HA3 GLY 45 2HA GLY 45 17.362 4.370 9.285 339 H GLN 46 H GLN 46 14.682 4.050 7.044 340 HA GLN 46 HA GLN 46 16.071 5.719 5.137 341 HB2 GLN 46 1HB GLN 46 15.916 4.192 3.271 342 HB3 GLN 46 2HB GLN 46 16.840 3.433 4.560 343 HG2 GLN 46 1HG GLN 46 14.931 2.103 5.199 344 HG3 GLN 46 2HG GLN 46 13.928 2.920 4.002 345 HE21 GLN 46 1HE2 GLN 46 13.845 0.358 3.744 346 HE22 GLN 46 2HE2 GLN 46 14.842 -0.231 2.462 347 H GLY 47 H GLY 47 14.574 5.895 3.068 348 HA2 GLY 47 1HA GLY 47 11.763 5.937 3.962 349 HA3 GLY 47 2HA GLY 47 12.494 7.361 3.237 350 H LEU 48 H LEU 48 10.360 5.131 2.545 351 HA LEU 48 HA LEU 48 11.279 4.729 -0.224 352 HB2 LEU 48 1HB LEU 48 9.176 3.169 1.265 353 HB3 LEU 48 2HB LEU 48 9.812 2.819 -0.341 354 HG LEU 48 HG LEU 48 11.412 2.677 2.213 355 HD11 LEU 48 1HD1 LEU 48 10.229 0.451 0.560 356 HD12 LEU 48 2HD1 LEU 48 9.645 0.978 2.138 357 HD13 LEU 48 3HD1 LEU 48 11.252 0.267 1.986 358 HD21 LEU 48 1HD2 LEU 48 12.435 3.099 -0.196 359 HD22 LEU 48 2HD2 LEU 48 12.215 1.354 -0.320 360 HD23 LEU 48 3HD2 LEU 48 13.208 2.029 0.973 361 H VAL 49 H VAL 49 10.308 5.927 -1.708 362 HA VAL 49 HA VAL 49 7.638 7.019 -1.117 363 HB VAL 49 HB VAL 49 9.582 8.071 -3.170 364 HG11 VAL 49 1HG1 VAL 49 7.506 9.742 -1.875 365 HG12 VAL 49 2HG1 VAL 49 8.123 9.776 -3.528 366 HG13 VAL 49 3HG1 VAL 49 6.963 8.538 -3.043 367 HG21 VAL 49 1HG2 VAL 49 9.616 9.928 -1.205 368 HG22 VAL 49 2HG2 VAL 49 9.490 8.449 -0.252 369 HG23 VAL 49 3HG2 VAL 49 10.827 8.657 -1.384 370 H PHE 50 H PHE 50 6.010 6.923 -2.656 371 HA PHE 50 HA PHE 50 6.520 5.543 -5.168 372 HB2 PHE 50 1HB PHE 50 4.437 4.529 -3.224 373 HB3 PHE 50 2HB PHE 50 4.816 3.857 -4.807 374 HD1 PHE 50 1HD PHE 50 7.436 3.286 -5.070 375 HD2 PHE 50 2HD PHE 50 5.258 3.402 -1.414 376 HE1 PHE 50 1HE PHE 50 9.093 1.788 -4.039 377 HE2 PHE 50 2HE PHE 50 6.913 1.906 -0.377 378 HZ PHE 50 HZ PHE 50 8.834 1.097 -1.689 379 H THR 51 H THR 51 5.415 6.475 -6.757 380 HA THR 51 HA THR 51 3.310 8.379 -6.070 381 HB THR 51 HB THR 51 4.531 7.930 -8.794 382 HG1 THR 51 1HG THR 51 6.177 8.505 -7.320 383 HG21 THR 51 1HG2 THR 51 2.581 9.203 -9.043 384 HG22 THR 51 2HG2 THR 51 3.864 10.410 -8.953 385 HG23 THR 51 3HG2 THR 51 2.857 10.086 -7.542 386 H LEU 52 H LEU 52 1.377 7.405 -5.870 387 HA LEU 52 HA LEU 52 0.329 6.002 -8.207 388 HB2 LEU 52 1HB LEU 52 -0.195 4.874 -5.485 389 HB3 LEU 52 2HB LEU 52 -0.401 4.112 -7.061 390 HG LEU 52 HG LEU 52 2.312 4.781 -5.948 391 HD11 LEU 52 1HD1 LEU 52 0.547 2.997 -4.775 392 HD12 LEU 52 2HD1 LEU 52 2.299 3.034 -4.575 393 HD13 LEU 52 3HD1 LEU 52 1.573 1.988 -5.795 394 HD21 LEU 52 1HD2 LEU 52 1.811 4.229 -8.430 395 HD22 LEU 52 2HD2 LEU 52 1.614 2.576 -7.847 396 HD23 LEU 52 3HD2 LEU 52 3.149 3.415 -7.619 397 HA PRO 53 HA PRO 53 -3.176 8.534 -7.366 398 HB2 PRO 53 1HB PRO 53 -5.029 7.172 -8.808 399 HB3 PRO 53 2HB PRO 53 -3.773 8.167 -9.554 400 HG2 PRO 53 1HG PRO 53 -3.859 5.199 -9.170 401 HG3 PRO 53 2HG PRO 53 -3.343 6.129 -10.589 402 HD2 PRO 53 1HD PRO 53 -1.584 5.055 -8.834 403 HD3 PRO 53 2HD PRO 53 -1.263 6.570 -9.701 404 H LEU 54 H LEU 54 -5.497 8.308 -6.629 405 HA LEU 54 HA LEU 54 -5.643 6.208 -4.578 406 HB2 LEU 54 1HB LEU 54 -7.150 8.813 -4.721 407 HB3 LEU 54 2HB LEU 54 -7.160 7.667 -3.382 408 HG LEU 54 HG LEU 54 -4.547 8.198 -3.440 409 HD11 LEU 54 1HD1 LEU 54 -5.808 10.767 -4.385 410 HD12 LEU 54 2HD1 LEU 54 -4.782 9.724 -5.369 411 HD13 LEU 54 3HD1 LEU 54 -4.120 10.514 -3.939 412 HD21 LEU 54 1HD2 LEU 54 -5.376 8.603 -1.391 413 HD22 LEU 54 2HD2 LEU 54 -6.858 9.324 -2.019 414 HD23 LEU 54 3HD2 LEU 54 -5.380 10.284 -1.923 415 H THR 55 H THR 55 -6.488 4.608 -5.971 416 HA THR 55 HA THR 55 -9.320 5.032 -6.666 417 HB THR 55 HB THR 55 -8.880 3.296 -8.518 418 HG1 THR 55 1HG THR 55 -6.260 4.046 -7.765 419 HG21 THR 55 1HG2 THR 55 -8.960 6.025 -8.528 420 HG22 THR 55 2HG2 THR 55 -8.907 5.013 -9.971 421 HG23 THR 55 3HG2 THR 55 -7.420 5.708 -9.326 422 H ASP 56 H ASP 56 -6.827 2.857 -5.525 423 HA ASP 56 HA ASP 56 -8.869 0.839 -4.888 424 HB2 ASP 56 1HB ASP 56 -5.955 0.712 -5.475 425 HB3 ASP 56 2HB ASP 56 -6.596 -0.451 -4.319 426 H GLN 57 H GLN 57 -7.864 -0.501 -2.830 427 HA GLN 57 HA GLN 57 -8.254 1.302 -0.634 428 HB2 GLN 57 1HB GLN 57 -7.671 -1.656 -0.771 429 HB3 GLN 57 2HB GLN 57 -7.894 -0.790 0.743 430 HG2 GLN 57 1HG GLN 57 -10.149 -0.240 0.173 431 HG3 GLN 57 2HG GLN 57 -9.944 -0.885 -1.455 432 HE21 GLN 57 1HE2 GLN 57 -9.023 -3.251 -1.337 433 HE22 GLN 57 2HE2 GLN 57 -9.914 -4.304 -0.297 434 H VAL 58 H VAL 58 -6.700 0.631 1.381 435 HA VAL 58 HA VAL 58 -4.196 1.845 0.744 436 HB VAL 58 HB VAL 58 -5.098 0.528 3.311 437 HG11 VAL 58 1HG1 VAL 58 -2.901 0.667 3.782 438 HG12 VAL 58 2HG1 VAL 58 -2.592 1.836 2.497 439 HG13 VAL 58 3HG1 VAL 58 -3.260 2.375 4.038 440 HG21 VAL 58 1HG2 VAL 58 -6.437 2.499 2.448 441 HG22 VAL 58 2HG2 VAL 58 -5.755 2.669 4.066 442 HG23 VAL 58 3HG2 VAL 58 -4.987 3.471 2.696 443 H SER 59 H SER 59 -5.317 -1.343 0.643 444 HA SER 59 HA SER 59 -3.089 -2.825 1.441 445 HB2 SER 59 1HB SER 59 -4.001 -4.628 0.031 446 HB3 SER 59 2HB SER 59 -5.271 -3.848 0.975 447 HG SER 59 HG SER 59 -5.764 -2.613 -0.916 448 H VAL 60 H VAL 60 -3.953 -1.601 -1.786 449 HA VAL 60 HA VAL 60 -1.904 -2.600 -3.296 450 HB VAL 60 HB VAL 60 -2.070 -0.536 -4.689 451 HG11 VAL 60 1HG1 VAL 60 -4.665 -0.789 -4.971 452 HG12 VAL 60 2HG1 VAL 60 -3.582 -2.121 -5.379 453 HG13 VAL 60 3HG1 VAL 60 -4.445 -2.124 -3.840 454 HG21 VAL 60 1HG2 VAL 60 -4.311 0.709 -3.564 455 HG22 VAL 60 2HG2 VAL 60 -3.161 0.512 -2.243 456 HG23 VAL 60 3HG2 VAL 60 -2.681 1.365 -3.710 457 H ILE 61 H ILE 61 -1.744 -0.117 -0.868 458 HA ILE 61 HA ILE 61 0.837 0.872 -1.645 459 HB ILE 61 HB ILE 61 -0.654 1.215 0.959 460 HG12 ILE 61 1HG1 ILE 61 -0.379 3.194 -1.303 461 HG13 ILE 61 2HG1 ILE 61 -1.744 2.090 -1.168 462 HG21 ILE 61 1HG2 ILE 61 1.207 3.309 0.273 463 HG22 ILE 61 2HG2 ILE 61 1.083 2.354 1.750 464 HG23 ILE 61 3HG2 ILE 61 2.018 1.747 0.383 465 HD11 ILE 61 1HD1 ILE 61 -2.084 4.426 -0.283 466 HD12 ILE 61 2HD1 ILE 61 -2.492 3.108 0.816 467 HD13 ILE 61 3HD1 ILE 61 -0.981 3.993 1.023 468 H LYS 62 H LYS 62 -0.376 -1.238 0.945 469 HA LYS 62 HA LYS 62 2.036 -1.728 2.241 470 HB2 LYS 62 1HB LYS 62 -0.333 -3.570 1.875 471 HB3 LYS 62 2HB LYS 62 0.969 -3.833 3.027 472 HG2 LYS 62 1HG LYS 62 0.348 -1.525 3.957 473 HG3 LYS 62 2HG LYS 62 -1.148 -1.716 3.038 474 HD2 LYS 62 1HD LYS 62 -1.666 -3.754 4.231 475 HD3 LYS 62 2HD LYS 62 -0.119 -3.687 5.079 476 HE2 LYS 62 1HE LYS 62 -0.797 -2.004 6.467 477 HE3 LYS 62 2HE LYS 62 -1.921 -1.335 5.286 478 HZ1 LYS 62 1HZ LYS 62 -3.559 -2.795 5.880 479 HZ2 LYS 62 2HZ LYS 62 -2.792 -2.596 7.374 480 HZ3 LYS 62 3HZ LYS 62 -2.484 -3.974 6.442 481 H VAL 63 H VAL 63 0.595 -3.344 -0.556 482 HA VAL 63 HA VAL 63 2.277 -5.501 -0.852 483 HB VAL 63 HB VAL 63 0.268 -4.780 -2.303 484 HG11 VAL 63 1HG1 VAL 63 1.800 -2.684 -2.977 485 HG12 VAL 63 2HG1 VAL 63 2.216 -3.789 -4.289 486 HG13 VAL 63 3HG1 VAL 63 0.534 -3.332 -4.020 487 HG21 VAL 63 1HG2 VAL 63 1.068 -6.144 -4.184 488 HG22 VAL 63 2HG2 VAL 63 2.714 -6.020 -3.563 489 HG23 VAL 63 3HG2 VAL 63 1.480 -6.862 -2.626 490 H LYS 64 H LYS 64 2.910 -2.130 -1.527 491 HA LYS 64 HA LYS 64 5.243 -2.465 -3.082 492 HB2 LYS 64 1HB LYS 64 4.493 -0.155 -1.280 493 HB3 LYS 64 2HB LYS 64 5.703 -0.117 -2.556 494 HG2 LYS 64 1HG LYS 64 2.836 -0.784 -3.124 495 HG3 LYS 64 2HG LYS 64 3.413 0.882 -3.058 496 HD2 LYS 64 1HD LYS 64 4.649 0.675 -4.969 497 HD3 LYS 64 2HD LYS 64 4.934 -1.051 -4.727 498 HE2 LYS 64 1HE LYS 64 2.906 -1.648 -5.648 499 HE3 LYS 64 2HE LYS 64 2.167 -0.087 -5.295 500 HZ1 LYS 64 1HZ LYS 64 2.838 -0.697 -7.713 501 HZ2 LYS 64 2HZ LYS 64 4.384 -0.223 -7.218 502 HZ3 LYS 64 3HZ LYS 64 3.099 0.874 -7.139 503 H ILE 65 H ILE 65 4.868 -1.686 0.378 504 HA ILE 65 HA ILE 65 7.508 -1.650 1.132 505 HB ILE 65 HB ILE 65 5.215 -2.795 2.731 506 HG12 ILE 65 1HG1 ILE 65 6.359 0.001 2.807 507 HG13 ILE 65 2HG1 ILE 65 4.948 -0.439 1.851 508 HG21 ILE 65 1HG2 ILE 65 6.721 -1.928 4.645 509 HG22 ILE 65 2HG2 ILE 65 7.112 -3.469 3.882 510 HG23 ILE 65 3HG2 ILE 65 8.014 -2.017 3.449 511 HD11 ILE 65 1HD1 ILE 65 4.655 -1.320 4.574 512 HD12 ILE 65 2HD1 ILE 65 4.993 0.409 4.493 513 HD13 ILE 65 3HD1 ILE 65 3.622 -0.264 3.611 514 H HIS 66 H HIS 66 5.380 -4.478 0.870 515 HA HIS 66 HA HIS 66 7.294 -6.365 1.756 516 HB2 HIS 66 1HB HIS 66 4.893 -6.848 1.759 517 HB3 HIS 66 2HB HIS 66 4.861 -6.759 0.000 518 HD1 HIS 66 1HD HIS 66 4.855 -8.987 -1.045 519 HD2 HIS 66 2HD HIS 66 6.923 -8.993 2.559 520 HE1 HIS 66 1HE HIS 66 5.624 -11.359 -0.715 521 HE2 HIS 66 2HE HIS 66 6.799 -11.355 1.513 522 H GLU 67 H GLU 67 6.506 -5.026 -1.393 523 HA GLU 67 HA GLU 67 7.998 -6.872 -2.938 524 HB2 GLU 67 1HB GLU 67 6.767 -4.203 -3.396 525 HB3 GLU 67 2HB GLU 67 8.009 -4.722 -4.526 526 HG2 GLU 67 1HG GLU 67 6.751 -6.706 -5.066 527 HG3 GLU 67 2HG GLU 67 5.540 -6.303 -3.850 528 H ALA 68 H ALA 68 8.778 -3.715 -1.537 529 HA ALA 68 HA ALA 68 11.473 -3.764 -2.574 530 HB1 ALA 68 1HB ALA 68 11.639 -1.598 -1.899 531 HB2 ALA 68 2HB ALA 68 9.882 -1.723 -1.984 532 HB3 ALA 68 3HB ALA 68 10.702 -1.866 -0.429 533 H THR 69 H THR 69 10.129 -3.627 0.733 534 HA THR 69 HA THR 69 12.623 -4.728 1.772 535 HB THR 69 HB THR 69 11.716 -4.234 3.993 536 HG1 THR 69 1HG THR 69 9.492 -4.580 3.520 537 HG21 THR 69 1HG2 THR 69 11.740 -1.837 3.855 538 HG22 THR 69 2HG2 THR 69 11.279 -1.882 2.154 539 HG23 THR 69 3HG2 THR 69 12.867 -2.464 2.653 540 H GLY 70 H GLY 70 12.588 -6.504 3.318 541 HA2 GLY 70 1HA GLY 70 10.894 -8.649 2.376 542 HA3 GLY 70 2HA GLY 70 12.196 -8.782 3.549 543 H MET 71 H MET 71 9.536 -6.504 3.802 544 HA MET 71 HA MET 71 8.727 -7.839 6.285 545 HB2 MET 71 1HB MET 71 9.372 -5.340 6.146 546 HB3 MET 71 2HB MET 71 7.796 -5.121 5.396 547 HG2 MET 71 1HG MET 71 6.673 -5.893 7.344 548 HG3 MET 71 2HG MET 71 8.187 -6.417 8.078 549 HE1 MET 71 1HE MET 71 7.452 -3.540 10.499 550 HE2 MET 71 2HE MET 71 6.231 -4.613 9.815 551 HE3 MET 71 3HE MET 71 7.809 -5.253 10.276 552 HA PRO 72 HA PRO 72 5.034 -9.329 4.385 553 HB2 PRO 72 1HB PRO 72 3.616 -9.833 6.644 554 HB3 PRO 72 2HB PRO 72 4.955 -10.852 6.103 555 HG2 PRO 72 1HG PRO 72 4.933 -8.701 8.184 556 HG3 PRO 72 2HG PRO 72 5.704 -10.298 8.233 557 HD2 PRO 72 1HD PRO 72 7.082 -8.031 7.689 558 HD3 PRO 72 2HD PRO 72 7.512 -9.603 6.984 559 H ALA 73 H ALA 73 2.942 -8.666 3.901 560 HA ALA 73 HA ALA 73 2.369 -5.894 4.421 561 HB1 ALA 73 1HB ALA 73 0.222 -7.351 3.138 562 HB2 ALA 73 2HB ALA 73 1.198 -6.012 2.532 563 HB3 ALA 73 3HB ALA 73 1.780 -7.669 2.374 564 H GLY 74 H GLY 74 2.364 -7.203 6.830 565 HA2 GLY 74 1HA GLY 74 -0.451 -6.909 7.605 566 HA3 GLY 74 2HA GLY 74 0.384 -8.390 8.050 567 H LYS 75 H LYS 75 2.731 -7.739 8.989 568 HA LYS 75 HA LYS 75 2.210 -6.602 11.511 569 HB2 LYS 75 1HB LYS 75 4.649 -7.510 10.056 570 HB3 LYS 75 2HB LYS 75 4.865 -6.513 11.488 571 HG2 LYS 75 1HG LYS 75 3.052 -8.856 11.680 572 HG3 LYS 75 2HG LYS 75 4.792 -9.144 11.621 573 HD2 LYS 75 1HD LYS 75 5.153 -7.808 13.566 574 HD3 LYS 75 2HD LYS 75 3.485 -7.231 13.548 575 HE2 LYS 75 1HE LYS 75 4.023 -10.160 13.746 576 HE3 LYS 75 2HE LYS 75 4.220 -9.147 15.176 577 HZ1 LYS 75 1HZ LYS 75 1.777 -9.763 13.663 578 HZ2 LYS 75 2HZ LYS 75 1.875 -8.306 14.514 579 HZ3 LYS 75 3HZ LYS 75 2.034 -9.776 15.335 580 H GLN 76 H GLN 76 3.640 -5.287 8.572 581 HA GLN 76 HA GLN 76 4.517 -2.842 9.696 582 HB2 GLN 76 1HB GLN 76 4.586 -2.056 7.330 583 HB3 GLN 76 2HB GLN 76 5.434 -3.573 7.598 584 HG2 GLN 76 1HG GLN 76 3.127 -4.607 6.880 585 HG3 GLN 76 2HG GLN 76 2.925 -3.038 6.102 586 HE21 GLN 76 1HE2 GLN 76 3.033 -3.811 4.031 587 HE22 GLN 76 2HE2 GLN 76 4.479 -4.449 3.334 588 H LYS 77 H LYS 77 3.194 -1.456 10.668 589 HA LYS 77 HA LYS 77 0.468 -1.106 9.664 590 HB2 LYS 77 1HB LYS 77 1.165 -1.459 12.164 591 HB3 LYS 77 2HB LYS 77 1.538 0.259 12.108 592 HG2 LYS 77 1HG LYS 77 -0.756 0.750 11.457 593 HG3 LYS 77 2HG LYS 77 -1.137 -0.973 11.475 594 HD2 LYS 77 1HD LYS 77 0.003 0.342 13.910 595 HD3 LYS 77 2HD LYS 77 -1.717 0.496 13.542 596 HE2 LYS 77 1HE LYS 77 -0.493 -2.214 13.462 597 HE3 LYS 77 2HE LYS 77 -0.781 -1.476 15.037 598 HZ1 LYS 77 1HZ LYS 77 -2.756 -2.169 12.949 599 HZ2 LYS 77 2HZ LYS 77 -3.123 -1.074 14.184 600 HZ3 LYS 77 3HZ LYS 77 -2.712 -2.670 14.564 601 H LEU 78 H LEU 78 -0.079 0.581 8.452 602 HA LEU 78 HA LEU 78 1.851 2.735 8.074 603 HB2 LEU 78 1HB LEU 78 -0.704 2.103 6.605 604 HB3 LEU 78 2HB LEU 78 0.436 3.376 6.173 605 HG LEU 78 HG LEU 78 0.935 0.402 6.068 606 HD11 LEU 78 1HD1 LEU 78 1.006 2.309 3.764 607 HD12 LEU 78 2HD1 LEU 78 -0.516 1.600 4.301 608 HD13 LEU 78 3HD1 LEU 78 0.799 0.557 3.760 609 HD21 LEU 78 1HD2 LEU 78 2.935 1.674 6.748 610 HD22 LEU 78 2HD2 LEU 78 2.767 2.674 5.305 611 HD23 LEU 78 3HD2 LEU 78 3.104 0.949 5.149 612 H GLN 79 H GLN 79 1.676 4.551 9.192 613 HA GLN 79 HA GLN 79 -0.958 5.308 10.258 614 HB2 GLN 79 1HB GLN 79 1.167 4.903 11.745 615 HB3 GLN 79 2HB GLN 79 1.602 6.524 11.219 616 HG2 GLN 79 1HG GLN 79 -0.653 7.274 12.049 617 HG3 GLN 79 2HG GLN 79 -0.817 5.680 12.785 618 HE21 GLN 79 1HE2 GLN 79 0.505 5.122 14.519 619 HE22 GLN 79 2HE2 GLN 79 1.370 6.308 15.430 620 H TYR 80 H TYR 80 -1.835 7.272 9.823 621 HA TYR 80 HA TYR 80 -0.252 9.274 8.410 622 HB2 TYR 80 1HB TYR 80 -1.086 8.186 6.511 623 HB3 TYR 80 2HB TYR 80 -2.639 7.849 7.269 624 HD1 TYR 80 1HD TYR 80 -0.549 10.780 6.254 625 HD2 TYR 80 2HD TYR 80 -4.451 9.124 6.624 626 HE1 TYR 80 1HE TYR 80 -1.495 12.787 5.192 627 HE2 TYR 80 2HE TYR 80 -5.407 11.126 5.562 628 HH TYR 80 HH TYR 80 -3.481 13.469 3.987 629 H GLU 81 H GLU 81 -0.557 11.093 9.495 630 HA GLU 81 HA GLU 81 -1.521 12.771 10.690 631 HB2 GLU 81 1HB GLU 81 -3.817 11.761 9.049 632 HB3 GLU 81 2HB GLU 81 -4.090 13.004 10.262 633 HG2 GLU 81 1HG GLU 81 -1.952 13.321 8.195 634 HG3 GLU 81 2HG GLU 81 -3.632 13.712 7.836 635 H GLY 82 H GLY 82 -0.996 10.649 12.230 636 HA2 GLY 82 1HA GLY 82 -1.508 9.693 14.253 637 HA3 GLY 82 2HA GLY 82 -2.713 10.961 14.425 638 H ILE 83 H ILE 83 -2.791 8.692 11.775 639 HA ILE 83 HA ILE 83 -5.069 7.328 13.052 640 HB ILE 83 HB ILE 83 -4.848 8.141 10.152 641 HG12 ILE 83 1HG1 ILE 83 -6.860 9.009 12.233 642 HG13 ILE 83 2HG1 ILE 83 -5.429 9.944 11.813 643 HG21 ILE 83 1HG2 ILE 83 -7.043 7.160 9.863 644 HG22 ILE 83 2HG2 ILE 83 -5.914 5.945 10.460 645 HG23 ILE 83 3HG2 ILE 83 -7.079 6.682 11.560 646 HD11 ILE 83 1HD1 ILE 83 -7.623 9.185 9.901 647 HD12 ILE 83 2HD1 ILE 83 -7.447 10.752 10.690 648 HD13 ILE 83 3HD1 ILE 83 -6.224 10.198 9.547 649 H PHE 84 H PHE 84 -5.265 5.141 12.713 650 HA PHE 84 HA PHE 84 -2.891 3.831 11.616 651 HB2 PHE 84 1HB PHE 84 -5.094 2.909 13.453 652 HB3 PHE 84 2HB PHE 84 -3.963 1.778 12.720 653 HD1 PHE 84 2HD PHE 84 -1.425 2.407 13.033 654 HD2 PHE 84 1HD PHE 84 -4.596 3.783 15.516 655 HE1 PHE 84 2HE PHE 84 0.185 2.845 14.841 656 HE2 PHE 84 1HE PHE 84 -2.991 4.224 17.327 657 HZ PHE 84 HZ PHE 84 -0.597 3.754 16.992 658 H ILE 85 H ILE 85 -4.037 4.674 9.499 659 HA ILE 85 HA ILE 85 -6.263 3.551 8.379 660 HB ILE 85 HB ILE 85 -5.094 3.739 6.166 661 HG12 ILE 85 1HG1 ILE 85 -2.793 4.801 7.812 662 HG13 ILE 85 2HG1 ILE 85 -2.823 3.188 7.108 663 HG21 ILE 85 1HG2 ILE 85 -5.394 5.911 8.150 664 HG22 ILE 85 2HG2 ILE 85 -4.523 6.299 6.667 665 HG23 ILE 85 3HG2 ILE 85 -6.175 5.686 6.585 666 HD11 ILE 85 1HD1 ILE 85 -2.354 5.795 5.848 667 HD12 ILE 85 2HD1 ILE 85 -1.746 4.194 5.423 668 HD13 ILE 85 3HD1 ILE 85 -3.369 4.680 4.933 669 H LYS 86 H LYS 86 -6.817 1.660 7.396 670 HA LYS 86 HA LYS 86 -4.820 -0.507 7.456 671 HB2 LYS 86 1HB LYS 86 -7.628 -0.417 8.433 672 HB3 LYS 86 2HB LYS 86 -7.085 -1.909 7.678 673 HG2 LYS 86 1HG LYS 86 -5.584 -2.372 9.344 674 HG3 LYS 86 2HG LYS 86 -5.393 -0.676 9.793 675 HD2 LYS 86 1HD LYS 86 -7.916 -0.896 10.478 676 HD3 LYS 86 2HD LYS 86 -7.530 -2.617 10.553 677 HE2 LYS 86 1HE LYS 86 -5.864 -0.541 11.947 678 HE3 LYS 86 2HE LYS 86 -7.285 -1.262 12.702 679 HZ1 LYS 86 1HZ LYS 86 -5.174 -2.377 13.280 680 HZ2 LYS 86 2HZ LYS 86 -4.983 -2.818 11.659 681 HZ3 LYS 86 3HZ LYS 86 -6.292 -3.415 12.548 682 H ASP 87 H ASP 87 -5.506 -2.381 6.004 683 HA ASP 87 HA ASP 87 -5.760 -1.408 3.353 684 HB2 ASP 87 1HB ASP 87 -6.001 -3.925 2.836 685 HB3 ASP 87 2HB ASP 87 -4.492 -3.369 3.556 686 H SER 88 H SER 88 -8.021 -2.677 5.681 687 HA SER 88 HA SER 88 -10.127 -3.303 3.906 688 HB2 SER 88 1HB SER 88 -10.251 -2.485 6.819 689 HB3 SER 88 2HB SER 88 -11.565 -3.231 5.911 690 HG SER 88 HG SER 88 -9.707 -4.878 5.500 691 H ASN 89 H ASN 89 -8.993 -0.320 5.276 692 HA ASN 89 HA ASN 89 -11.395 1.130 4.509 693 HB2 ASN 89 1HB ASN 89 -8.813 2.036 5.798 694 HB3 ASN 89 2HB ASN 89 -10.163 3.106 5.433 695 HD21 ASN 89 1HD2 ASN 89 -9.461 0.054 7.093 696 HD22 ASN 89 2HD2 ASN 89 -10.537 0.329 8.416 697 H SER 90 H SER 90 -11.495 2.694 2.910 698 HA SER 90 HA SER 90 -9.579 2.352 0.755 699 HB2 SER 90 1HB SER 90 -12.066 4.073 0.792 700 HB3 SER 90 2HB SER 90 -11.167 3.532 -0.625 701 HG SER 90 HG SER 90 -13.096 2.250 0.786 702 H LEU 91 H LEU 91 -8.489 4.083 -0.271 703 HA LEU 91 HA LEU 91 -7.395 5.991 1.523 704 HB2 LEU 91 1HB LEU 91 -7.195 5.748 -1.474 705 HB3 LEU 91 2HB LEU 91 -6.247 6.869 -0.499 706 HG LEU 91 HG LEU 91 -6.128 3.901 -0.052 707 HD11 LEU 91 1HD1 LEU 91 -4.767 5.552 -2.137 708 HD12 LEU 91 2HD1 LEU 91 -5.470 3.940 -2.264 709 HD13 LEU 91 3HD1 LEU 91 -3.939 4.169 -1.419 710 HD21 LEU 91 1HD2 LEU 91 -4.145 6.106 0.488 711 HD22 LEU 91 2HD2 LEU 91 -4.006 4.414 0.966 712 HD23 LEU 91 3HD2 LEU 91 -5.254 5.435 1.683 713 H ALA 92 H ALA 92 -9.289 6.459 -1.468 714 HA ALA 92 HA ALA 92 -9.685 9.141 -1.430 715 HB1 ALA 92 1HB ALA 92 -11.209 8.759 -3.022 716 HB2 ALA 92 2HB ALA 92 -10.771 7.061 -2.828 717 HB3 ALA 92 3HB ALA 92 -12.174 7.712 -1.981 718 H TYR 93 H TYR 93 -11.445 6.754 0.502 719 HA TYR 93 HA TYR 93 -13.407 8.350 1.603 720 HB2 TYR 93 1HB TYR 93 -13.369 5.962 1.987 721 HB3 TYR 93 2HB TYR 93 -11.859 6.090 2.883 722 HD1 TYR 93 1HD TYR 93 -11.842 7.153 5.128 723 HD2 TYR 93 2HD TYR 93 -15.468 6.395 3.033 724 HE1 TYR 93 1HE TYR 93 -13.102 7.426 7.222 725 HE2 TYR 93 2HE TYR 93 -16.738 6.667 5.122 726 HH TYR 93 HH TYR 93 -16.537 7.656 7.284 727 H TYR 94 H TYR 94 -10.086 7.858 2.760 728 HA TYR 94 HA TYR 94 -10.320 9.552 5.015 729 HB2 TYR 94 1HB TYR 94 -7.912 8.591 3.465 730 HB3 TYR 94 2HB TYR 94 -7.798 9.534 4.947 731 HD1 TYR 94 2HD TYR 94 -9.353 8.511 6.918 732 HD2 TYR 94 1HD TYR 94 -7.669 6.315 3.686 733 HE1 TYR 94 2HE TYR 94 -9.510 6.447 8.246 734 HE2 TYR 94 1HE TYR 94 -7.821 4.245 5.005 735 HH TYR 94 HH TYR 94 -8.382 4.212 8.316 736 H ASN 95 H ASN 95 -9.838 10.158 1.659 737 HA ASN 95 HA ASN 95 -9.610 12.067 0.445 738 HB2 ASN 95 1HB ASN 95 -10.665 13.143 3.044 739 HB3 ASN 95 2HB ASN 95 -10.208 14.240 1.745 740 HD21 ASN 95 1HD2 ASN 95 -12.347 11.632 2.666 741 HD22 ASN 95 2HD2 ASN 95 -13.549 11.937 1.462 742 H MET 96 H MET 96 -7.253 11.112 1.080 743 HA MET 96 HA MET 96 -5.597 12.852 2.610 744 HB2 MET 96 1HB MET 96 -4.857 10.785 0.532 745 HB3 MET 96 2HB MET 96 -3.728 11.567 1.630 746 HG2 MET 96 1HG MET 96 -5.212 10.625 3.499 747 HG3 MET 96 2HG MET 96 -5.874 9.578 2.245 748 HE1 MET 96 1HE MET 96 -4.854 7.787 4.370 749 HE2 MET 96 2HE MET 96 -5.243 7.288 2.723 750 HE3 MET 96 3HE MET 96 -3.737 6.758 3.474 751 H ALA 97 H ALA 97 -3.450 13.586 1.345 752 HA ALA 97 HA ALA 97 -4.204 14.955 -1.134 753 HB1 ALA 97 1HB ALA 97 -3.597 17.086 -0.398 754 HB2 ALA 97 2HB ALA 97 -4.537 16.422 0.939 755 HB3 ALA 97 3HB ALA 97 -2.776 16.460 1.032 756 H SER 98 H SER 98 -2.400 15.684 -2.398 757 HA SER 98 HA SER 98 -0.349 13.870 -2.684 758 HB2 SER 98 1HB SER 98 -0.261 16.803 -3.432 759 HB3 SER 98 2HB SER 98 0.755 15.530 -4.108 760 HG SER 98 HG SER 98 -1.006 14.649 -5.098 761 H GLY 99 H GLY 99 2.031 14.294 -2.476 762 HA2 GLY 99 1HA GLY 99 3.853 14.575 -1.109 763 HA3 GLY 99 2HA GLY 99 3.140 16.128 -0.699 764 H ALA 100 H ALA 100 1.755 12.946 -0.063 765 HA ALA 100 HA ALA 100 1.405 13.628 2.717 766 HB1 ALA 100 1HB ALA 100 0.842 10.864 1.929 767 HB2 ALA 100 2HB ALA 100 -0.188 12.052 2.729 768 HB3 ALA 100 3HB ALA 100 -0.007 12.080 0.975 769 H VAL 101 H VAL 101 1.916 11.856 4.378 770 HA VAL 101 HA VAL 101 4.471 10.532 3.829 771 HB VAL 101 HB VAL 101 4.982 12.728 4.867 772 HG11 VAL 101 1HG1 VAL 101 2.761 12.394 6.337 773 HG12 VAL 101 2HG1 VAL 101 3.972 11.849 7.498 774 HG13 VAL 101 3HG1 VAL 101 4.080 13.467 6.804 775 HG21 VAL 101 1HG2 VAL 101 6.407 11.823 6.689 776 HG22 VAL 101 2HG2 VAL 101 5.575 10.277 6.522 777 HG23 VAL 101 3HG2 VAL 101 6.531 10.914 5.183 778 H ILE 102 H ILE 102 3.986 8.460 4.171 779 HA ILE 102 HA ILE 102 2.140 7.721 6.306 780 HB ILE 102 HB ILE 102 3.441 6.021 4.175 781 HG12 ILE 102 1HG1 ILE 102 1.792 7.640 3.310 782 HG13 ILE 102 2HG1 ILE 102 1.223 5.982 3.150 783 HG21 ILE 102 1HG2 ILE 102 1.510 5.370 6.377 784 HG22 ILE 102 2HG2 ILE 102 1.605 4.396 4.910 785 HG23 ILE 102 3HG2 ILE 102 3.018 4.560 5.952 786 HD11 ILE 102 1HD1 ILE 102 -0.653 6.657 4.110 787 HD12 ILE 102 2HD1 ILE 102 0.259 6.806 5.612 788 HD13 ILE 102 3HD1 ILE 102 0.056 8.207 4.561 789 H HIS 103 H HIS 103 2.998 7.493 8.264 790 HA HIS 103 HA HIS 103 5.766 6.734 8.618 791 HB2 HIS 103 1HB HIS 103 3.562 7.397 10.575 792 HB3 HIS 103 2HB HIS 103 5.193 6.950 11.067 793 HD1 HIS 103 1HD HIS 103 7.091 8.667 10.567 794 HD2 HIS 103 2HD HIS 103 3.266 9.993 9.632 795 HE1 HIS 103 1HE HIS 103 7.305 11.150 10.228 796 HE2 HIS 103 2HE HIS 103 4.963 11.943 9.748 797 H LEU 104 H LEU 104 6.499 4.742 8.966 798 HA LEU 104 HA LEU 104 4.608 2.550 9.144 799 HB2 LEU 104 1HB LEU 104 6.398 2.243 7.615 800 HB3 LEU 104 2HB LEU 104 7.596 2.686 8.830 801 HG LEU 104 HG LEU 104 7.067 0.599 10.053 802 HD11 LEU 104 1HD1 LEU 104 4.897 0.019 9.490 803 HD12 LEU 104 2HD1 LEU 104 5.858 -1.144 8.578 804 HD13 LEU 104 3HD1 LEU 104 5.169 0.260 7.765 805 HD21 LEU 104 1HD2 LEU 104 8.618 0.949 7.797 806 HD22 LEU 104 2HD2 LEU 104 7.702 -0.517 7.446 807 HD23 LEU 104 3HD2 LEU 104 8.686 -0.420 8.907 808 H ALA 105 H ALA 105 4.323 1.204 10.860 809 HA ALA 105 HA ALA 105 5.992 1.570 13.237 810 HB1 ALA 105 1HB ALA 105 3.075 1.399 13.727 811 HB2 ALA 105 2HB ALA 105 4.334 2.230 14.641 812 HB3 ALA 105 3HB ALA 105 3.712 2.939 13.151 813 H LEU 106 H LEU 106 5.910 -0.184 14.726 814 HA LEU 106 HA LEU 106 5.522 -2.721 13.451 815 HB2 LEU 106 1HB LEU 106 6.610 -1.749 16.028 816 HB3 LEU 106 2HB LEU 106 6.024 -3.411 15.984 817 HG LEU 106 HG LEU 106 8.128 -2.292 14.134 818 HD11 LEU 106 1HD1 LEU 106 9.341 -2.328 16.046 819 HD12 LEU 106 2HD1 LEU 106 9.464 -4.039 15.638 820 HD13 LEU 106 3HD1 LEU 106 8.282 -3.500 16.831 821 HD21 LEU 106 1HD2 LEU 106 7.909 -5.178 14.608 822 HD22 LEU 106 2HD2 LEU 106 8.175 -4.288 13.108 823 HD23 LEU 106 3HD2 LEU 106 6.542 -4.464 13.753 824 H LYS 107 H LYS 107 3.631 -3.710 13.297 825 HA LYS 107 HA LYS 107 1.361 -2.961 14.850 826 HB2 LYS 107 1HB LYS 107 1.057 -3.726 12.578 827 HB3 LYS 107 2HB LYS 107 1.824 -5.265 12.950 828 HG2 LYS 107 1HG LYS 107 -0.049 -5.682 14.576 829 HG3 LYS 107 2HG LYS 107 -0.845 -4.259 13.899 830 HD2 LYS 107 1HD LYS 107 -1.288 -5.287 11.905 831 HD3 LYS 107 2HD LYS 107 0.123 -6.343 12.013 832 HE2 LYS 107 1HE LYS 107 -2.250 -6.635 13.835 833 HE3 LYS 107 2HE LYS 107 -2.168 -7.431 12.264 834 HZ1 LYS 107 1HZ LYS 107 0.189 -8.112 13.322 835 HZ2 LYS 107 2HZ LYS 107 -1.207 -9.059 13.446 836 HZ3 LYS 107 3HZ LYS 107 -0.761 -8.040 14.720 837 H GLU 108 H GLU 108 0.863 -3.616 16.828 838 HA GLU 108 HA GLU 108 1.883 -6.226 17.743 839 HB2 GLU 108 1HB GLU 108 1.776 -3.572 19.118 840 HB3 GLU 108 2HB GLU 108 1.631 -5.038 20.078 841 HG2 GLU 108 1HG GLU 108 3.773 -5.817 19.283 842 HG3 GLU 108 2HG GLU 108 3.912 -4.421 18.216 843 H ARG 109 H ARG 109 -0.032 -7.283 17.126 844 HA ARG 109 HA ARG 109 -2.171 -7.031 19.069 845 HB2 ARG 109 1HB ARG 109 -2.584 -6.600 16.113 846 HB3 ARG 109 2HB ARG 109 -3.891 -7.076 17.189 847 HG2 ARG 109 1HG ARG 109 -3.577 -5.049 18.496 848 HG3 ARG 109 2HG ARG 109 -2.234 -4.576 17.454 849 HD2 ARG 109 1HD ARG 109 -3.769 -4.520 15.533 850 HD3 ARG 109 2HD ARG 109 -5.104 -4.949 16.603 851 HE ARG 109 HE ARG 109 -3.848 -2.368 16.334 852 HH11 ARG 109 2HH1 ARG 109 -5.787 -4.440 18.350 853 HH12 ARG 109 1HH1 ARG 109 -6.503 -3.132 19.231 854 HH21 ARG 109 2HH2 ARG 109 -4.783 -0.636 17.487 855 HH22 ARG 109 1HH2 ARG 109 -5.932 -0.968 18.739 856 H SER 110 H SER 110 -3.945 -8.760 18.445 857 HA SER 110 HA SER 110 -2.548 -11.273 18.344 858 HB2 SER 110 1HB SER 110 -4.475 -10.882 19.865 859 HB3 SER 110 2HB SER 110 -5.528 -10.748 18.457 860 HG SER 110 HG SER 110 -5.348 -12.861 18.093 861 H GLY 111 H GLY 111 -1.829 -11.909 16.399 862 HA2 GLY 111 1HA GLY 111 -3.824 -12.166 14.253 863 HA3 GLY 111 2HA GLY 111 -2.279 -11.404 13.904 864 HA PRO 112 HA PRO 112 -1.465 -16.099 14.862 865 HB2 PRO 112 1HB PRO 112 -3.645 -17.705 14.669 866 HB3 PRO 112 2HB PRO 112 -3.132 -16.961 16.188 867 HG2 PRO 112 1HG PRO 112 -5.274 -16.095 14.284 868 HG3 PRO 112 2HG PRO 112 -5.308 -16.153 16.056 869 HD2 PRO 112 1HD PRO 112 -4.891 -13.858 14.681 870 HD3 PRO 112 2HD PRO 112 -4.159 -14.166 16.269 871 H SER 113 H SER 113 -0.830 -17.525 13.281 872 HA SER 113 HA SER 113 -2.304 -17.864 10.841 873 HB2 SER 113 1HB SER 113 -1.097 -15.614 10.612 874 HB3 SER 113 2HB SER 113 0.397 -16.550 10.562 875 HG SER 113 HG SER 113 -0.154 -17.370 8.650 876 H SER 114 H SER 114 -1.585 -19.605 9.629 877 HA SER 114 HA SER 114 0.934 -20.865 10.050 878 HB2 SER 114 1HB SER 114 -1.470 -21.896 11.514 879 HB3 SER 114 2HB SER 114 -0.265 -23.038 10.916 880 HG SER 114 HG SER 114 1.294 -21.614 12.050 881 H GLY 115 H GLY 115 1.196 -22.802 8.751 882 HA2 GLY 115 1HA GLY 115 -0.953 -23.325 6.827 883 HA3 GLY 115 2HA GLY 115 0.598 -22.780 6.204 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.996 29.090 -1.263 2 HA2 GLY 1 1HA GLY 1 -9.848 29.052 1.565 3 HA3 GLY 1 2HA GLY 1 -9.561 27.608 0.606 4 H SER 2 H SER 2 -8.105 26.875 2.227 5 HA SER 2 HA SER 2 -5.429 28.023 1.913 6 HB2 SER 2 1HB SER 2 -6.951 27.738 4.465 7 HB3 SER 2 2HB SER 2 -5.218 27.412 4.492 8 HG SER 2 HG SER 2 -6.580 29.803 4.026 9 H SER 3 H SER 3 -3.769 26.505 2.996 10 HA SER 3 HA SER 3 -4.591 23.699 2.775 11 HB2 SER 3 1HB SER 3 -2.478 23.239 1.483 12 HB3 SER 3 2HB SER 3 -3.685 24.173 0.600 13 HG SER 3 HG SER 3 -1.574 25.057 0.406 14 H GLY 4 H GLY 4 -3.445 22.266 4.052 15 HA2 GLY 4 1HA GLY 4 -1.260 21.948 5.276 16 HA3 GLY 4 2HA GLY 4 -1.584 23.532 5.964 17 H SER 5 H SER 5 -4.327 23.273 6.456 18 HA SER 5 HA SER 5 -4.295 21.245 8.592 19 HB2 SER 5 1HB SER 5 -5.947 23.779 8.483 20 HB3 SER 5 2HB SER 5 -5.795 22.673 9.848 21 HG SER 5 HG SER 5 -4.302 24.100 10.366 22 H SER 6 H SER 6 -6.351 20.247 9.140 23 HA SER 6 HA SER 6 -8.235 20.145 6.879 24 HB2 SER 6 1HB SER 6 -7.136 17.811 8.461 25 HB3 SER 6 2HB SER 6 -8.487 17.694 7.335 26 HG SER 6 HG SER 6 -7.133 17.733 5.727 27 H GLY 7 H GLY 7 -10.376 20.079 7.383 28 HA2 GLY 7 1HA GLY 7 -11.407 21.164 9.634 29 HA3 GLY 7 2HA GLY 7 -12.289 19.980 8.681 30 H THR 8 H THR 8 -12.097 17.730 9.263 31 HA THR 8 HA THR 8 -10.780 16.878 11.622 32 HB THR 8 HB THR 8 -13.703 16.750 12.109 33 HG1 THR 8 1HG THR 8 -13.946 18.834 12.453 34 HG21 THR 8 1HG2 THR 8 -11.577 17.524 14.070 35 HG22 THR 8 2HG2 THR 8 -11.720 15.849 13.537 36 HG23 THR 8 3HG2 THR 8 -13.077 16.639 14.340 37 H GLU 9 H GLU 9 -11.063 14.642 12.040 38 HA GLU 9 HA GLU 9 -11.530 13.064 9.767 39 HB2 GLU 9 1HB GLU 9 -11.161 12.453 12.680 40 HB3 GLU 9 2HB GLU 9 -11.584 11.169 11.557 41 HG2 GLU 9 1HG GLU 9 -9.592 11.542 10.282 42 HG3 GLU 9 2HG GLU 9 -9.198 12.971 11.235 43 H ASP 10 H ASP 10 -13.492 13.503 12.702 44 HA ASP 10 HA ASP 10 -15.575 11.796 12.147 45 HB2 ASP 10 1HB ASP 10 -15.604 14.494 13.504 46 HB3 ASP 10 2HB ASP 10 -16.999 13.419 13.469 47 H SER 11 H SER 11 -15.084 15.094 10.971 48 HA SER 11 HA SER 11 -17.487 14.857 9.308 49 HB2 SER 11 1HB SER 11 -15.740 17.285 9.775 50 HB3 SER 11 2HB SER 11 -17.310 17.256 8.971 51 HG SER 11 HG SER 11 -17.916 16.228 11.171 52 H LEU 12 H LEU 12 -15.898 13.166 8.243 53 HA LEU 12 HA LEU 12 -14.182 14.470 6.263 54 HB2 LEU 12 1HB LEU 12 -14.445 11.692 7.314 55 HB3 LEU 12 2HB LEU 12 -13.749 11.941 5.714 56 HG LEU 12 HG LEU 12 -12.663 13.338 8.142 57 HD11 LEU 12 1HD1 LEU 12 -12.442 10.511 7.399 58 HD12 LEU 12 2HD1 LEU 12 -12.133 11.311 8.939 59 HD13 LEU 12 3HD1 LEU 12 -10.902 11.326 7.677 60 HD21 LEU 12 1HD2 LEU 12 -10.812 12.568 6.070 61 HD22 LEU 12 2HD2 LEU 12 -11.163 14.166 6.727 62 HD23 LEU 12 3HD2 LEU 12 -12.142 13.520 5.409 63 H MET 13 H MET 13 -14.781 14.726 4.210 64 HA MET 13 HA MET 13 -17.398 14.101 3.344 65 HB2 MET 13 1HB MET 13 -16.921 15.413 1.565 66 HB3 MET 13 2HB MET 13 -15.507 15.850 2.516 67 HG2 MET 13 1HG MET 13 -14.521 13.710 1.274 68 HG3 MET 13 2HG MET 13 -15.723 14.193 0.080 69 HE1 MET 13 1HE MET 13 -14.885 17.645 -0.930 70 HE2 MET 13 2HE MET 13 -14.687 16.220 -1.950 71 HE3 MET 13 3HE MET 13 -16.034 16.312 -0.814 72 HA PRO 14 HA PRO 14 -17.084 10.082 1.614 73 HB2 PRO 14 1HB PRO 14 -18.526 10.305 -0.675 74 HB3 PRO 14 2HB PRO 14 -19.266 10.304 0.930 75 HG2 PRO 14 1HG PRO 14 -18.610 12.619 -0.852 76 HG3 PRO 14 2HG PRO 14 -20.068 12.329 0.115 77 HD2 PRO 14 1HD PRO 14 -18.091 13.994 0.923 78 HD3 PRO 14 2HD PRO 14 -19.072 13.052 2.064 79 H GLU 15 H GLU 15 -16.857 9.050 -0.794 80 HA GLU 15 HA GLU 15 -14.262 10.008 -1.708 81 HB2 GLU 15 1HB GLU 15 -14.870 7.549 -1.184 82 HB3 GLU 15 2HB GLU 15 -15.677 7.568 -2.746 83 HG2 GLU 15 1HG GLU 15 -13.475 8.355 -3.716 84 HG3 GLU 15 2HG GLU 15 -12.758 7.938 -2.161 85 H GLU 16 H GLU 16 -17.368 9.053 -3.175 86 HA GLU 16 HA GLU 16 -17.078 9.549 -5.771 87 HB2 GLU 16 1HB GLU 16 -19.312 10.411 -3.954 88 HB3 GLU 16 2HB GLU 16 -19.389 10.706 -5.685 89 HG2 GLU 16 1HG GLU 16 -18.800 8.125 -5.772 90 HG3 GLU 16 2HG GLU 16 -19.559 8.160 -4.182 91 H GLU 17 H GLU 17 -17.956 12.223 -3.574 92 HA GLU 17 HA GLU 17 -17.451 14.255 -5.458 93 HB2 GLU 17 1HB GLU 17 -17.709 14.233 -2.462 94 HB3 GLU 17 2HB GLU 17 -17.312 15.711 -3.327 95 HG2 GLU 17 1HG GLU 17 -19.702 15.527 -2.846 96 HG3 GLU 17 2HG GLU 17 -19.372 15.582 -4.577 97 H PHE 18 H PHE 18 -15.534 13.312 -2.599 98 HA PHE 18 HA PHE 18 -13.378 14.879 -2.736 99 HB2 PHE 18 1HB PHE 18 -13.610 12.998 -1.155 100 HB3 PHE 18 2HB PHE 18 -13.216 11.872 -2.450 101 HD1 PHE 18 2HD PHE 18 -11.814 14.936 -0.846 102 HD2 PHE 18 1HD PHE 18 -11.054 11.127 -2.587 103 HE1 PHE 18 2HE PHE 18 -9.423 15.177 -0.321 104 HE2 PHE 18 1HE PHE 18 -8.661 11.362 -2.064 105 HZ PHE 18 HZ PHE 18 -7.842 13.389 -0.931 106 H LEU 19 H LEU 19 -13.561 11.861 -4.632 107 HA LEU 19 HA LEU 19 -11.260 12.099 -6.098 108 HB2 LEU 19 1HB LEU 19 -13.916 11.110 -7.125 109 HB3 LEU 19 2HB LEU 19 -12.336 10.742 -7.813 110 HG LEU 19 HG LEU 19 -13.314 9.880 -5.091 111 HD11 LEU 19 1HD1 LEU 19 -14.213 8.854 -7.362 112 HD12 LEU 19 2HD1 LEU 19 -13.856 7.849 -5.958 113 HD13 LEU 19 3HD1 LEU 19 -12.688 7.972 -7.274 114 HD21 LEU 19 1HD2 LEU 19 -10.706 9.627 -6.521 115 HD22 LEU 19 2HD2 LEU 19 -11.232 8.344 -5.431 116 HD23 LEU 19 3HD2 LEU 19 -11.029 9.989 -4.825 117 H ARG 20 H ARG 20 -14.369 13.659 -6.695 118 HA ARG 20 HA ARG 20 -13.767 14.755 -9.212 119 HB2 ARG 20 1HB ARG 20 -15.596 15.899 -7.093 120 HB3 ARG 20 2HB ARG 20 -15.632 16.267 -8.812 121 HG2 ARG 20 1HG ARG 20 -15.982 13.675 -9.034 122 HG3 ARG 20 2HG ARG 20 -16.553 13.836 -7.372 123 HD2 ARG 20 1HD ARG 20 -18.391 14.010 -8.977 124 HD3 ARG 20 2HD ARG 20 -18.174 15.509 -8.074 125 HE ARG 20 HE ARG 20 -16.708 15.875 -10.340 126 HH11 ARG 20 2HH1 ARG 20 -20.017 15.022 -9.677 127 HH12 ARG 20 1HH1 ARG 20 -20.633 15.758 -11.120 128 HH21 ARG 20 2HH2 ARG 20 -17.506 16.847 -12.243 129 HH22 ARG 20 1HH2 ARG 20 -19.203 16.795 -12.579 130 H ARG 21 H ARG 21 -12.926 15.732 -5.980 131 HA ARG 21 HA ARG 21 -11.934 18.319 -6.901 132 HB2 ARG 21 1HB ARG 21 -12.436 17.080 -4.228 133 HB3 ARG 21 2HB ARG 21 -11.276 18.396 -4.348 134 HG2 ARG 21 1HG ARG 21 -12.928 19.899 -5.138 135 HG3 ARG 21 2HG ARG 21 -14.091 18.594 -5.379 136 HD2 ARG 21 1HD ARG 21 -14.041 18.186 -2.924 137 HD3 ARG 21 2HD ARG 21 -13.015 19.610 -2.753 138 HE ARG 21 HE ARG 21 -15.846 19.566 -3.143 139 HH11 ARG 21 2HH1 ARG 21 -12.947 21.404 -3.729 140 HH12 ARG 21 1HH1 ARG 21 -13.773 22.924 -3.818 141 HH21 ARG 21 2HH2 ARG 21 -16.944 21.562 -3.259 142 HH22 ARG 21 1HH2 ARG 21 -16.046 23.013 -3.550 143 H ASN 22 H ASN 22 -10.632 15.660 -4.903 144 HA ASN 22 HA ASN 22 -7.993 16.195 -6.100 145 HB2 ASN 22 1HB ASN 22 -8.322 14.866 -3.428 146 HB3 ASN 22 2HB ASN 22 -6.941 15.758 -4.062 147 HD21 ASN 22 1HD2 ASN 22 -10.055 15.979 -2.556 148 HD22 ASN 22 2HD2 ASN 22 -9.958 17.651 -2.129 149 H LYS 23 H LYS 23 -8.105 14.710 -7.754 150 HA LYS 23 HA LYS 23 -8.760 11.938 -7.136 151 HB2 LYS 23 1HB LYS 23 -9.682 12.874 -9.183 152 HB3 LYS 23 2HB LYS 23 -8.072 13.302 -9.746 153 HG2 LYS 23 1HG LYS 23 -7.572 10.786 -9.580 154 HG3 LYS 23 2HG LYS 23 -9.326 10.595 -9.517 155 HD2 LYS 23 1HD LYS 23 -8.940 10.424 -11.780 156 HD3 LYS 23 2HD LYS 23 -9.272 12.151 -11.621 157 HE2 LYS 23 1HE LYS 23 -6.823 12.546 -11.470 158 HE3 LYS 23 2HE LYS 23 -6.565 10.831 -11.784 159 HZ1 LYS 23 1HZ LYS 23 -6.467 12.466 -13.737 160 HZ2 LYS 23 2HZ LYS 23 -8.156 12.475 -13.645 161 HZ3 LYS 23 3HZ LYS 23 -7.333 11.027 -13.944 162 H GLY 24 H GLY 24 -6.004 13.935 -8.009 163 HA2 GLY 24 1HA GLY 24 -3.883 13.094 -6.967 164 HA3 GLY 24 2HA GLY 24 -4.276 11.555 -7.719 165 HA PRO 25 HA PRO 25 -2.625 10.601 -8.260 166 HB2 PRO 25 1HB PRO 25 0.075 10.556 -8.549 167 HB3 PRO 25 2HB PRO 25 -1.034 9.963 -9.791 168 HG2 PRO 25 1HG PRO 25 0.380 12.595 -9.616 169 HG3 PRO 25 2HG PRO 25 0.146 11.542 -11.023 170 HD2 PRO 25 1HD PRO 25 -1.373 13.739 -10.581 171 HD3 PRO 25 2HD PRO 25 -2.005 12.287 -11.382 172 H VAL 26 H VAL 26 -0.831 10.137 -6.512 173 HA VAL 26 HA VAL 26 -0.189 12.548 -4.984 174 HB VAL 26 HB VAL 26 -1.031 11.517 -2.893 175 HG11 VAL 26 1HG1 VAL 26 -2.432 13.167 -3.788 176 HG12 VAL 26 2HG1 VAL 26 -2.949 12.131 -5.120 177 HG13 VAL 26 3HG1 VAL 26 -3.503 11.801 -3.478 178 HG21 VAL 26 1HG2 VAL 26 -2.125 9.463 -4.802 179 HG22 VAL 26 2HG2 VAL 26 -1.059 9.202 -3.421 180 HG23 VAL 26 3HG2 VAL 26 -2.737 9.681 -3.162 181 H SER 27 H SER 27 1.838 12.462 -4.290 182 HA SER 27 HA SER 27 3.233 9.894 -4.314 183 HB2 SER 27 1HB SER 27 4.495 11.455 -5.506 184 HB3 SER 27 2HB SER 27 4.120 12.762 -4.384 185 HG SER 27 HG SER 27 5.559 11.944 -2.940 186 H ILE 28 H ILE 28 3.101 8.804 -2.460 187 HA ILE 28 HA ILE 28 3.221 10.281 0.075 188 HB ILE 28 HB ILE 28 2.377 8.259 1.141 189 HG12 ILE 28 1HG1 ILE 28 2.086 7.028 -1.595 190 HG13 ILE 28 2HG1 ILE 28 3.501 6.735 -0.590 191 HG21 ILE 28 1HG2 ILE 28 0.788 9.099 -1.279 192 HG22 ILE 28 2HG2 ILE 28 0.141 8.202 0.093 193 HG23 ILE 28 3HG2 ILE 28 0.749 9.841 0.320 194 HD11 ILE 28 1HD1 ILE 28 2.396 5.344 0.776 195 HD12 ILE 28 2HD1 ILE 28 0.915 6.301 0.729 196 HD13 ILE 28 3HD1 ILE 28 1.294 5.197 -0.593 197 H LYS 29 H LYS 29 4.722 9.793 1.655 198 HA LYS 29 HA LYS 29 7.021 8.199 0.741 199 HB2 LYS 29 1HB LYS 29 7.132 10.761 1.379 200 HB3 LYS 29 2HB LYS 29 7.216 10.126 3.017 201 HG2 LYS 29 1HG LYS 29 9.153 8.719 2.265 202 HG3 LYS 29 2HG LYS 29 9.128 9.626 0.751 203 HD2 LYS 29 1HD LYS 29 9.210 11.104 3.344 204 HD3 LYS 29 2HD LYS 29 10.688 10.368 2.721 205 HE2 LYS 29 1HE LYS 29 9.033 12.032 0.888 206 HE3 LYS 29 2HE LYS 29 10.019 12.842 2.104 207 HZ1 LYS 29 1HZ LYS 29 10.901 11.120 -0.127 208 HZ2 LYS 29 2HZ LYS 29 11.900 11.401 1.208 209 HZ3 LYS 29 3HZ LYS 29 11.389 12.696 0.248 210 H VAL 30 H VAL 30 7.363 6.323 1.717 211 HA VAL 30 HA VAL 30 5.936 5.686 4.169 212 HB VAL 30 HB VAL 30 7.646 3.968 2.368 213 HG11 VAL 30 1HG1 VAL 30 6.515 3.495 5.037 214 HG12 VAL 30 2HG1 VAL 30 6.182 2.233 3.850 215 HG13 VAL 30 3HG1 VAL 30 7.847 2.691 4.208 216 HG21 VAL 30 1HG2 VAL 30 4.746 4.562 2.547 217 HG22 VAL 30 2HG2 VAL 30 5.747 4.223 1.136 218 HG23 VAL 30 3HG2 VAL 30 5.217 2.903 2.178 219 H GLN 31 H GLN 31 6.874 6.351 5.996 220 HA GLN 31 HA GLN 31 9.720 6.613 6.261 221 HB2 GLN 31 1HB GLN 31 7.816 7.985 7.405 222 HB3 GLN 31 2HB GLN 31 7.827 6.680 8.583 223 HG2 GLN 31 1HG GLN 31 9.994 8.639 7.935 224 HG3 GLN 31 2HG GLN 31 9.229 8.304 9.487 225 HE21 GLN 31 1HE2 GLN 31 9.960 6.635 10.731 226 HE22 GLN 31 2HE2 GLN 31 11.380 5.723 10.362 227 H VAL 32 H VAL 32 10.699 4.635 6.091 228 HA VAL 32 HA VAL 32 9.769 2.374 7.634 229 HB VAL 32 HB VAL 32 12.316 2.632 6.031 230 HG11 VAL 32 1HG1 VAL 32 11.763 0.734 7.837 231 HG12 VAL 32 2HG1 VAL 32 10.956 0.038 6.430 232 HG13 VAL 32 3HG1 VAL 32 12.677 0.421 6.361 233 HG21 VAL 32 1HG2 VAL 32 9.528 2.288 5.215 234 HG22 VAL 32 2HG2 VAL 32 10.934 2.784 4.272 235 HG23 VAL 32 3HG2 VAL 32 10.624 1.071 4.559 236 HA PRO 33 HA PRO 33 12.156 3.624 11.197 237 HB2 PRO 33 1HB PRO 33 11.425 1.519 12.749 238 HB3 PRO 33 2HB PRO 33 10.372 2.908 12.456 239 HG2 PRO 33 1HG PRO 33 10.363 0.214 11.150 240 HG3 PRO 33 2HG PRO 33 8.993 1.189 11.714 241 HD2 PRO 33 1HD PRO 33 9.723 1.071 9.109 242 HD3 PRO 33 2HD PRO 33 9.008 2.524 9.835 243 H ASN 34 H ASN 34 13.741 2.484 12.666 244 HA ASN 34 HA ASN 34 15.358 0.618 11.067 245 HB2 ASN 34 1HB ASN 34 16.585 2.619 11.496 246 HB3 ASN 34 2HB ASN 34 16.120 2.620 13.195 247 HD21 ASN 34 1HD2 ASN 34 18.587 2.032 11.156 248 HD22 ASN 34 2HD2 ASN 34 19.504 0.916 12.104 249 H MET 35 H MET 35 14.563 -1.351 11.691 250 HA MET 35 HA MET 35 14.043 -2.006 14.429 251 HB2 MET 35 1HB MET 35 13.963 -3.438 11.825 252 HB3 MET 35 2HB MET 35 14.122 -4.418 13.277 253 HG2 MET 35 1HG MET 35 11.932 -2.429 12.722 254 HG3 MET 35 2HG MET 35 11.798 -4.182 12.601 255 HE1 MET 35 1HE MET 35 10.116 -2.153 15.860 256 HE2 MET 35 2HE MET 35 11.383 -1.139 15.169 257 HE3 MET 35 3HE MET 35 10.196 -1.910 14.115 258 H GLN 36 H GLN 36 15.878 -1.753 15.652 259 HA GLN 36 HA GLN 36 18.450 -2.634 14.917 260 HB2 GLN 36 1HB GLN 36 18.291 -1.000 16.631 261 HB3 GLN 36 2HB GLN 36 17.200 -1.998 17.583 262 HG2 GLN 36 1HG GLN 36 19.251 -2.129 18.684 263 HG3 GLN 36 2HG GLN 36 19.125 -3.640 17.785 264 HE21 GLN 36 1HE2 GLN 36 21.200 -1.303 18.637 265 HE22 GLN 36 2HE2 GLN 36 22.316 -1.382 17.321 266 H ASP 37 H ASP 37 15.709 -4.295 16.179 267 HA ASP 37 HA ASP 37 16.831 -6.440 17.515 268 HB2 ASP 37 1HB ASP 37 14.339 -6.097 15.894 269 HB3 ASP 37 2HB ASP 37 14.786 -7.709 16.448 270 H LYS 38 H LYS 38 17.157 -5.598 14.243 271 HA LYS 38 HA LYS 38 18.265 -6.555 12.502 272 HB2 LYS 38 1HB LYS 38 19.156 -8.663 14.473 273 HB3 LYS 38 2HB LYS 38 19.923 -8.247 12.946 274 HG2 LYS 38 1HG LYS 38 20.075 -5.867 14.104 275 HG3 LYS 38 2HG LYS 38 20.018 -6.860 15.563 276 HD2 LYS 38 1HD LYS 38 21.866 -8.251 14.435 277 HD3 LYS 38 2HD LYS 38 22.052 -6.867 13.355 278 HE2 LYS 38 1HE LYS 38 22.043 -6.461 16.317 279 HE3 LYS 38 2HE LYS 38 23.501 -7.045 15.516 280 HZ1 LYS 38 1HZ LYS 38 23.493 -4.634 15.727 281 HZ2 LYS 38 2HZ LYS 38 22.055 -4.539 14.841 282 HZ3 LYS 38 3HZ LYS 38 23.470 -5.095 14.099 283 H THR 39 H THR 39 15.549 -7.211 12.936 284 HA THR 39 HA THR 39 15.045 -9.985 12.684 285 HB THR 39 HB THR 39 13.269 -8.506 13.396 286 HG1 THR 39 1HG THR 39 12.292 -9.238 10.888 287 HG21 THR 39 1HG2 THR 39 12.992 -7.345 10.657 288 HG22 THR 39 2HG2 THR 39 14.156 -6.641 11.779 289 HG23 THR 39 3HG2 THR 39 12.447 -6.708 12.208 290 H GLU 40 H GLU 40 13.587 -10.587 10.604 291 HA GLU 40 HA GLU 40 15.465 -10.509 8.398 292 HB2 GLU 40 1HB GLU 40 13.982 -12.164 7.356 293 HB3 GLU 40 2HB GLU 40 14.428 -12.637 8.990 294 HG2 GLU 40 1HG GLU 40 12.306 -12.166 9.835 295 HG3 GLU 40 2HG GLU 40 11.865 -11.193 8.433 296 H TRP 41 H TRP 41 14.134 -8.043 9.070 297 HA TRP 41 HA TRP 41 12.625 -7.611 6.576 298 HB2 TRP 41 1HB TRP 41 12.221 -6.193 9.220 299 HB3 TRP 41 2HB TRP 41 11.334 -5.875 7.731 300 HD1 TRP 41 HD TRP 41 11.077 -9.159 7.131 301 HE1 TRP 41 1HE TRP 41 9.216 -10.405 8.399 302 HE3 TRP 41 3HE TRP 41 10.298 -5.816 10.920 303 HZ2 TRP 41 2HZ TRP 41 7.627 -10.022 10.701 304 HZ3 TRP 41 3HZ TRP 41 8.589 -6.331 12.614 305 HH2 TRP 41 HH TRP 41 7.282 -8.391 12.505 306 H LYS 42 H LYS 42 13.355 -6.061 5.254 307 HA LYS 42 HA LYS 42 15.856 -4.811 5.768 308 HB2 LYS 42 1HB LYS 42 13.819 -4.535 3.566 309 HB3 LYS 42 2HB LYS 42 15.280 -3.556 3.607 310 HG2 LYS 42 1HG LYS 42 16.444 -5.902 3.863 311 HG3 LYS 42 2HG LYS 42 14.956 -6.464 3.098 312 HD2 LYS 42 1HD LYS 42 16.503 -6.060 1.347 313 HD3 LYS 42 2HD LYS 42 15.354 -4.720 1.317 314 HE2 LYS 42 1HE LYS 42 16.900 -3.241 2.305 315 HE3 LYS 42 2HE LYS 42 17.967 -4.557 2.792 316 HZ1 LYS 42 1HZ LYS 42 19.079 -3.954 0.954 317 HZ2 LYS 42 2HZ LYS 42 17.741 -3.208 0.237 318 HZ3 LYS 42 3HZ LYS 42 17.921 -4.888 0.148 319 H LEU 43 H LEU 43 15.135 -3.780 7.824 320 HA LEU 43 HA LEU 43 13.938 -1.143 7.281 321 HB2 LEU 43 1HB LEU 43 13.788 -2.653 9.882 322 HB3 LEU 43 2HB LEU 43 12.982 -1.138 9.481 323 HG LEU 43 HG LEU 43 12.379 -3.719 8.057 324 HD11 LEU 43 1HD1 LEU 43 11.740 -2.986 10.761 325 HD12 LEU 43 2HD1 LEU 43 11.379 -4.474 9.887 326 HD13 LEU 43 3HD1 LEU 43 10.273 -3.103 9.789 327 HD21 LEU 43 1HD2 LEU 43 10.229 -2.500 7.627 328 HD22 LEU 43 2HD2 LEU 43 11.649 -1.807 6.843 329 HD23 LEU 43 3HD2 LEU 43 10.990 -1.058 8.299 330 H ASN 44 H ASN 44 15.732 0.099 7.098 331 HA ASN 44 HA ASN 44 17.457 0.263 9.471 332 HB2 ASN 44 1HB ASN 44 18.338 0.137 6.586 333 HB3 ASN 44 2HB ASN 44 19.376 0.747 7.871 334 HD21 ASN 44 1HD2 ASN 44 19.545 -1.630 6.089 335 HD22 ASN 44 2HD2 ASN 44 19.758 -2.972 7.157 336 H GLY 45 H GLY 45 15.680 1.995 9.686 337 HA2 GLY 45 1HA GLY 45 14.952 4.186 9.427 338 HA3 GLY 45 2HA GLY 45 16.657 4.492 9.724 339 H GLN 46 H GLN 46 14.191 4.132 7.255 340 HA GLN 46 HA GLN 46 15.637 5.950 5.538 341 HB2 GLN 46 1HB GLN 46 15.651 4.474 3.591 342 HB3 GLN 46 2HB GLN 46 16.608 3.792 4.899 343 HG2 GLN 46 1HG GLN 46 14.943 2.194 5.410 344 HG3 GLN 46 2HG GLN 46 13.758 3.001 4.383 345 HE21 GLN 46 1HE2 GLN 46 13.941 0.464 3.898 346 HE22 GLN 46 2HE2 GLN 46 14.865 0.114 2.481 347 H GLY 47 H GLY 47 14.281 5.949 3.284 348 HA2 GLY 47 1HA GLY 47 11.419 5.887 3.976 349 HA3 GLY 47 2HA GLY 47 12.127 7.361 3.332 350 H LEU 48 H LEU 48 10.097 5.218 2.389 351 HA LEU 48 HA LEU 48 11.291 4.812 -0.274 352 HB2 LEU 48 1HB LEU 48 9.063 3.221 0.982 353 HB3 LEU 48 2HB LEU 48 9.872 2.888 -0.548 354 HG LEU 48 HG LEU 48 11.160 2.720 2.177 355 HD11 LEU 48 1HD1 LEU 48 10.550 0.411 0.370 356 HD12 LEU 48 2HD1 LEU 48 9.357 1.002 1.527 357 HD13 LEU 48 3HD1 LEU 48 10.918 0.411 2.095 358 HD21 LEU 48 1HD2 LEU 48 12.449 1.349 -0.028 359 HD22 LEU 48 2HD2 LEU 48 13.123 2.469 1.157 360 HD23 LEU 48 3HD2 LEU 48 12.343 3.089 -0.299 361 H VAL 49 H VAL 49 10.457 6.034 -1.820 362 HA VAL 49 HA VAL 49 7.908 7.374 -1.400 363 HB VAL 49 HB VAL 49 9.884 7.661 -3.668 364 HG11 VAL 49 1HG1 VAL 49 7.252 8.379 -3.672 365 HG12 VAL 49 2HG1 VAL 49 8.031 9.852 -3.091 366 HG13 VAL 49 3HG1 VAL 49 8.513 9.148 -4.635 367 HG21 VAL 49 1HG2 VAL 49 10.846 8.347 -1.540 368 HG22 VAL 49 2HG2 VAL 49 10.535 9.751 -2.560 369 HG23 VAL 49 3HG2 VAL 49 9.449 9.375 -1.223 370 H PHE 50 H PHE 50 6.082 7.051 -2.580 371 HA PHE 50 HA PHE 50 6.166 5.111 -4.778 372 HB2 PHE 50 1HB PHE 50 4.213 5.013 -2.468 373 HB3 PHE 50 2HB PHE 50 4.146 3.993 -3.902 374 HD1 PHE 50 1HD PHE 50 6.725 2.998 -4.357 375 HD2 PHE 50 2HD PHE 50 4.872 3.843 -0.620 376 HE1 PHE 50 1HE PHE 50 8.197 1.359 -3.261 377 HE2 PHE 50 2HE PHE 50 6.342 2.206 0.483 378 HZ PHE 50 HZ PHE 50 8.007 0.962 -0.838 379 H THR 51 H THR 51 5.368 6.095 -6.502 380 HA THR 51 HA THR 51 3.438 8.264 -6.178 381 HB THR 51 HB THR 51 4.723 7.368 -8.757 382 HG1 THR 51 1HG THR 51 6.408 8.700 -8.305 383 HG21 THR 51 1HG2 THR 51 4.372 9.944 -9.115 384 HG22 THR 51 2HG2 THR 51 3.160 9.746 -7.850 385 HG23 THR 51 3HG2 THR 51 3.033 8.821 -9.346 386 H LEU 52 H LEU 52 1.388 7.589 -6.051 387 HA LEU 52 HA LEU 52 0.259 6.129 -8.273 388 HB2 LEU 52 1HB LEU 52 -0.904 4.552 -6.598 389 HB3 LEU 52 2HB LEU 52 0.746 4.199 -7.105 390 HG LEU 52 HG LEU 52 1.378 5.490 -4.916 391 HD11 LEU 52 1HD1 LEU 52 -1.024 4.344 -3.711 392 HD12 LEU 52 2HD1 LEU 52 -1.334 5.746 -4.735 393 HD13 LEU 52 3HD1 LEU 52 -0.205 5.872 -3.386 394 HD21 LEU 52 1HD2 LEU 52 0.183 2.758 -4.585 395 HD22 LEU 52 2HD2 LEU 52 1.621 3.437 -3.823 396 HD23 LEU 52 3HD2 LEU 52 1.644 3.022 -5.537 397 HA PRO 53 HA PRO 53 -3.059 8.877 -7.344 398 HB2 PRO 53 1HB PRO 53 -5.001 7.676 -8.814 399 HB3 PRO 53 2HB PRO 53 -3.687 8.610 -9.538 400 HG2 PRO 53 1HG PRO 53 -3.960 5.645 -9.237 401 HG3 PRO 53 2HG PRO 53 -3.391 6.580 -10.632 402 HD2 PRO 53 1HD PRO 53 -1.697 5.346 -8.917 403 HD3 PRO 53 2HD PRO 53 -1.283 6.862 -9.743 404 H LEU 54 H LEU 54 -5.268 8.870 -6.451 405 HA LEU 54 HA LEU 54 -5.525 6.802 -4.416 406 HB2 LEU 54 1HB LEU 54 -7.102 9.343 -4.795 407 HB3 LEU 54 2HB LEU 54 -7.157 8.281 -3.390 408 HG LEU 54 HG LEU 54 -4.547 9.502 -4.139 409 HD11 LEU 54 1HD1 LEU 54 -6.934 10.975 -3.154 410 HD12 LEU 54 2HD1 LEU 54 -5.633 11.509 -4.218 411 HD13 LEU 54 3HD1 LEU 54 -5.354 11.381 -2.481 412 HD21 LEU 54 1HD2 LEU 54 -5.887 8.913 -1.502 413 HD22 LEU 54 2HD2 LEU 54 -4.228 9.467 -1.729 414 HD23 LEU 54 3HD2 LEU 54 -4.714 7.874 -2.313 415 H THR 55 H THR 55 -6.259 5.080 -5.723 416 HA THR 55 HA THR 55 -9.075 5.345 -6.545 417 HB THR 55 HB THR 55 -8.555 3.560 -8.282 418 HG1 THR 55 1HG THR 55 -6.295 3.575 -8.931 419 HG21 THR 55 1HG2 THR 55 -7.663 6.403 -8.385 420 HG22 THR 55 2HG2 THR 55 -8.964 5.597 -9.262 421 HG23 THR 55 3HG2 THR 55 -7.287 5.351 -9.749 422 H ASP 56 H ASP 56 -6.669 2.740 -6.136 423 HA ASP 56 HA ASP 56 -8.635 0.934 -5.103 424 HB2 ASP 56 1HB ASP 56 -5.634 0.795 -5.367 425 HB3 ASP 56 2HB ASP 56 -6.573 -0.496 -4.624 426 H GLN 57 H GLN 57 -7.733 -0.360 -3.015 427 HA GLN 57 HA GLN 57 -8.089 1.494 -0.855 428 HB2 GLN 57 1HB GLN 57 -7.635 -1.487 -0.943 429 HB3 GLN 57 2HB GLN 57 -7.830 -0.594 0.559 430 HG2 GLN 57 1HG GLN 57 -10.053 -0.144 0.163 431 HG3 GLN 57 2HG GLN 57 -9.892 -0.353 -1.580 432 HE21 GLN 57 1HE2 GLN 57 -11.919 -1.531 -0.090 433 HE22 GLN 57 2HE2 GLN 57 -11.703 -3.245 -0.112 434 H VAL 58 H VAL 58 -6.594 0.756 1.198 435 HA VAL 58 HA VAL 58 -4.046 1.891 0.614 436 HB VAL 58 HB VAL 58 -5.029 0.561 3.143 437 HG11 VAL 58 1HG1 VAL 58 -2.451 1.728 2.383 438 HG12 VAL 58 2HG1 VAL 58 -3.115 2.346 3.897 439 HG13 VAL 58 3HG1 VAL 58 -2.853 0.614 3.688 440 HG21 VAL 58 1HG2 VAL 58 -5.049 3.413 2.189 441 HG22 VAL 58 2HG2 VAL 58 -6.410 2.430 2.729 442 HG23 VAL 58 3HG2 VAL 58 -5.204 2.981 3.892 443 H SER 59 H SER 59 -5.253 -1.251 0.408 444 HA SER 59 HA SER 59 -3.097 -2.827 1.220 445 HB2 SER 59 1HB SER 59 -4.100 -4.599 0.020 446 HB3 SER 59 2HB SER 59 -5.448 -3.565 0.496 447 HG SER 59 HG SER 59 -5.553 -2.766 -1.568 448 H VAL 60 H VAL 60 -3.782 -1.332 -1.920 449 HA VAL 60 HA VAL 60 -1.694 -2.404 -3.400 450 HB VAL 60 HB VAL 60 -1.804 -0.259 -4.737 451 HG11 VAL 60 1HG1 VAL 60 -3.560 -1.088 -5.882 452 HG12 VAL 60 2HG1 VAL 60 -3.428 -2.414 -4.724 453 HG13 VAL 60 3HG1 VAL 60 -4.604 -1.126 -4.462 454 HG21 VAL 60 1HG2 VAL 60 -2.821 1.554 -3.943 455 HG22 VAL 60 2HG2 VAL 60 -4.273 0.637 -3.544 456 HG23 VAL 60 3HG2 VAL 60 -2.943 0.727 -2.389 457 H ILE 61 H ILE 61 -1.560 -0.254 -0.763 458 HA ILE 61 HA ILE 61 1.037 0.841 -1.488 459 HB ILE 61 HB ILE 61 -0.734 1.264 0.915 460 HG12 ILE 61 1HG1 ILE 61 -0.495 3.682 -0.094 461 HG13 ILE 61 2HG1 ILE 61 -0.067 2.810 -1.562 462 HG21 ILE 61 1HG2 ILE 61 0.985 3.131 1.381 463 HG22 ILE 61 2HG2 ILE 61 1.377 1.480 1.857 464 HG23 ILE 61 3HG2 ILE 61 2.072 2.162 0.387 465 HD11 ILE 61 1HD1 ILE 61 -2.363 1.553 -0.635 466 HD12 ILE 61 2HD1 ILE 61 -2.650 3.276 -0.391 467 HD13 ILE 61 3HD1 ILE 61 -2.230 2.670 -1.993 468 H LYS 62 H LYS 62 -0.368 -1.275 0.988 469 HA LYS 62 HA LYS 62 1.991 -1.785 2.416 470 HB2 LYS 62 1HB LYS 62 -0.357 -3.651 2.030 471 HB3 LYS 62 2HB LYS 62 0.828 -3.720 3.328 472 HG2 LYS 62 1HG LYS 62 0.052 -1.414 3.995 473 HG3 LYS 62 2HG LYS 62 -1.282 -1.634 2.860 474 HD2 LYS 62 1HD LYS 62 -2.210 -3.376 4.104 475 HD3 LYS 62 2HD LYS 62 -0.705 -3.680 4.976 476 HE2 LYS 62 1HE LYS 62 -0.993 -1.826 6.358 477 HE3 LYS 62 2HE LYS 62 -2.146 -1.068 5.261 478 HZ1 LYS 62 1HZ LYS 62 -2.581 -3.314 7.126 479 HZ2 LYS 62 2HZ LYS 62 -3.610 -3.073 5.805 480 HZ3 LYS 62 3HZ LYS 62 -3.452 -1.870 6.983 481 H VAL 63 H VAL 63 0.671 -3.226 -0.498 482 HA VAL 63 HA VAL 63 2.308 -5.503 -0.631 483 HB VAL 63 HB VAL 63 0.256 -4.817 -2.088 484 HG11 VAL 63 1HG1 VAL 63 2.526 -3.770 -3.776 485 HG12 VAL 63 2HG1 VAL 63 0.842 -3.930 -4.278 486 HG13 VAL 63 3HG1 VAL 63 1.280 -2.788 -3.006 487 HG21 VAL 63 1HG2 VAL 63 1.624 -6.938 -2.173 488 HG22 VAL 63 2HG2 VAL 63 0.820 -6.484 -3.676 489 HG23 VAL 63 3HG2 VAL 63 2.547 -6.190 -3.476 490 H LYS 64 H LYS 64 2.787 -2.203 -1.808 491 HA LYS 64 HA LYS 64 5.082 -2.539 -3.311 492 HB2 LYS 64 1HB LYS 64 4.340 -0.220 -1.518 493 HB3 LYS 64 2HB LYS 64 5.596 -0.174 -2.748 494 HG2 LYS 64 1HG LYS 64 2.850 -0.976 -3.556 495 HG3 LYS 64 2HG LYS 64 3.176 0.727 -3.226 496 HD2 LYS 64 1HD LYS 64 5.040 0.653 -4.840 497 HD3 LYS 64 2HD LYS 64 4.638 -1.028 -5.201 498 HE2 LYS 64 1HE LYS 64 2.332 -0.209 -5.825 499 HE3 LYS 64 2HE LYS 64 2.975 1.429 -5.719 500 HZ1 LYS 64 1HZ LYS 64 4.637 -0.246 -7.312 501 HZ2 LYS 64 2HZ LYS 64 3.906 1.227 -7.708 502 HZ3 LYS 64 3HZ LYS 64 3.054 -0.220 -7.907 503 H ILE 65 H ILE 65 4.878 -1.779 0.165 504 HA ILE 65 HA ILE 65 7.553 -1.693 0.786 505 HB ILE 65 HB ILE 65 5.391 -2.926 2.497 506 HG12 ILE 65 1HG1 ILE 65 6.386 -0.071 2.453 507 HG13 ILE 65 2HG1 ILE 65 4.910 -0.612 1.660 508 HG21 ILE 65 1HG2 ILE 65 7.968 -3.150 3.018 509 HG22 ILE 65 2HG2 ILE 65 7.750 -1.504 3.612 510 HG23 ILE 65 3HG2 ILE 65 6.797 -2.821 4.294 511 HD11 ILE 65 1HD1 ILE 65 3.772 -0.785 3.603 512 HD12 ILE 65 2HD1 ILE 65 5.200 -1.251 4.529 513 HD13 ILE 65 3HD1 ILE 65 4.941 0.439 4.098 514 H HIS 66 H HIS 66 5.577 -4.588 1.439 515 HA HIS 66 HA HIS 66 7.502 -6.408 1.957 516 HB2 HIS 66 1HB HIS 66 5.043 -6.855 1.918 517 HB3 HIS 66 2HB HIS 66 5.135 -6.983 0.164 518 HD1 HIS 66 1HD HIS 66 5.906 -9.183 -0.800 519 HD2 HIS 66 2HD HIS 66 6.381 -8.970 3.322 520 HE1 HIS 66 1HE HIS 66 6.522 -11.511 -0.073 521 HE2 HIS 66 2HE HIS 66 6.721 -11.376 2.434 522 H GLU 67 H GLU 67 6.821 -4.976 -1.134 523 HA GLU 67 HA GLU 67 8.114 -6.832 -2.801 524 HB2 GLU 67 1HB GLU 67 6.664 -4.636 -3.280 525 HB3 GLU 67 2HB GLU 67 8.266 -3.942 -3.482 526 HG2 GLU 67 1HG GLU 67 7.031 -6.204 -5.022 527 HG3 GLU 67 2HG GLU 67 7.514 -4.618 -5.621 528 H ALA 68 H ALA 68 9.364 -3.654 -1.764 529 HA ALA 68 HA ALA 68 12.038 -4.266 -2.496 530 HB1 ALA 68 1HB ALA 68 11.833 -2.177 -0.506 531 HB2 ALA 68 2HB ALA 68 12.353 -2.085 -2.189 532 HB3 ALA 68 3HB ALA 68 10.639 -1.977 -1.788 533 H THR 69 H THR 69 10.460 -3.953 0.686 534 HA THR 69 HA THR 69 12.763 -5.269 1.926 535 HB THR 69 HB THR 69 11.882 -4.550 4.055 536 HG1 THR 69 1HG THR 69 9.653 -4.786 3.632 537 HG21 THR 69 1HG2 THR 69 12.088 -2.188 3.827 538 HG22 THR 69 2HG2 THR 69 11.546 -2.238 2.150 539 HG23 THR 69 3HG2 THR 69 13.116 -2.909 2.590 540 H GLY 70 H GLY 70 12.475 -7.042 3.383 541 HA2 GLY 70 1HA GLY 70 10.473 -8.910 2.446 542 HA3 GLY 70 2HA GLY 70 11.764 -9.246 3.590 543 H MET 71 H MET 71 9.382 -6.659 3.848 544 HA MET 71 HA MET 71 8.486 -7.851 6.375 545 HB2 MET 71 1HB MET 71 9.415 -5.432 6.152 546 HB3 MET 71 2HB MET 71 7.830 -5.059 5.489 547 HG2 MET 71 1HG MET 71 6.753 -5.741 7.516 548 HG3 MET 71 2HG MET 71 8.276 -6.332 8.176 549 HE1 MET 71 1HE MET 71 8.625 -4.436 10.537 550 HE2 MET 71 2HE MET 71 7.223 -3.379 10.374 551 HE3 MET 71 3HE MET 71 7.069 -5.105 10.043 552 HA PRO 72 HA PRO 72 4.662 -8.946 4.427 553 HB2 PRO 72 1HB PRO 72 3.309 -9.590 6.691 554 HB3 PRO 72 2HB PRO 72 4.543 -10.636 5.978 555 HG2 PRO 72 1HG PRO 72 4.773 -8.724 8.271 556 HG3 PRO 72 2HG PRO 72 5.423 -10.367 8.114 557 HD2 PRO 72 1HD PRO 72 6.942 -8.157 7.740 558 HD3 PRO 72 2HD PRO 72 7.222 -9.670 6.854 559 H ALA 73 H ALA 73 2.574 -8.121 4.164 560 HA ALA 73 HA ALA 73 2.226 -5.398 5.117 561 HB1 ALA 73 1HB ALA 73 0.139 -5.612 3.573 562 HB2 ALA 73 2HB ALA 73 1.749 -5.490 2.863 563 HB3 ALA 73 3HB ALA 73 0.957 -7.061 2.986 564 H GLY 74 H GLY 74 1.985 -7.413 7.108 565 HA2 GLY 74 1HA GLY 74 -0.812 -6.944 7.890 566 HA3 GLY 74 2HA GLY 74 -0.155 -8.571 7.978 567 H LYS 75 H LYS 75 2.482 -7.705 8.838 568 HA LYS 75 HA LYS 75 1.919 -7.507 11.657 569 HB2 LYS 75 1HB LYS 75 4.440 -7.799 10.039 570 HB3 LYS 75 2HB LYS 75 4.493 -7.510 11.773 571 HG2 LYS 75 1HG LYS 75 2.848 -9.562 11.829 572 HG3 LYS 75 2HG LYS 75 3.602 -9.915 10.272 573 HD2 LYS 75 1HD LYS 75 5.039 -11.035 11.648 574 HD3 LYS 75 2HD LYS 75 5.814 -9.449 11.653 575 HE2 LYS 75 1HE LYS 75 4.330 -8.976 13.706 576 HE3 LYS 75 2HE LYS 75 4.107 -10.723 13.765 577 HZ1 LYS 75 1HZ LYS 75 5.914 -10.389 15.132 578 HZ2 LYS 75 2HZ LYS 75 6.567 -9.157 14.174 579 HZ3 LYS 75 3HZ LYS 75 6.668 -10.767 13.665 580 H GLN 76 H GLN 76 3.494 -5.487 9.207 581 HA GLN 76 HA GLN 76 4.138 -3.385 11.026 582 HB2 GLN 76 1HB GLN 76 4.777 -2.122 9.066 583 HB3 GLN 76 2HB GLN 76 5.362 -3.773 8.907 584 HG2 GLN 76 1HG GLN 76 3.453 -4.288 7.448 585 HG3 GLN 76 2HG GLN 76 2.928 -2.610 7.574 586 HE21 GLN 76 1HE2 GLN 76 3.554 -3.947 5.170 587 HE22 GLN 76 2HE2 GLN 76 4.922 -3.163 4.465 588 H LYS 77 H LYS 77 3.224 -1.265 11.075 589 HA LYS 77 HA LYS 77 0.429 -1.127 10.157 590 HB2 LYS 77 1HB LYS 77 0.896 -1.524 12.708 591 HB3 LYS 77 2HB LYS 77 1.277 0.193 12.709 592 HG2 LYS 77 1HG LYS 77 -0.892 0.813 12.241 593 HG3 LYS 77 2HG LYS 77 -1.294 -0.748 11.521 594 HD2 LYS 77 1HD LYS 77 -2.411 -0.674 13.607 595 HD3 LYS 77 2HD LYS 77 -1.021 -1.739 13.833 596 HE2 LYS 77 1HE LYS 77 0.178 -0.080 15.009 597 HE3 LYS 77 2HE LYS 77 -0.934 1.191 14.505 598 HZ1 LYS 77 1HZ LYS 77 -1.268 -0.854 16.582 599 HZ2 LYS 77 2HZ LYS 77 -2.644 -0.278 15.786 600 HZ3 LYS 77 3HZ LYS 77 -1.643 0.795 16.626 601 H LEU 78 H LEU 78 0.168 0.492 8.780 602 HA LEU 78 HA LEU 78 2.103 2.648 8.664 603 HB2 LEU 78 1HB LEU 78 -0.315 2.063 6.961 604 HB3 LEU 78 2HB LEU 78 0.865 3.336 6.650 605 HG LEU 78 HG LEU 78 1.346 0.360 6.542 606 HD11 LEU 78 1HD1 LEU 78 0.236 2.012 4.655 607 HD12 LEU 78 2HD1 LEU 78 1.054 0.484 4.333 608 HD13 LEU 78 3HD1 LEU 78 1.943 2.002 4.210 609 HD21 LEU 78 1HD2 LEU 78 3.268 2.635 6.067 610 HD22 LEU 78 2HD2 LEU 78 3.605 0.921 5.822 611 HD23 LEU 78 3HD2 LEU 78 3.292 1.535 7.446 612 H GLN 79 H GLN 79 1.865 4.425 9.833 613 HA GLN 79 HA GLN 79 -0.837 5.234 10.656 614 HB2 GLN 79 1HB GLN 79 1.198 4.806 12.285 615 HB3 GLN 79 2HB GLN 79 1.628 6.449 11.826 616 HG2 GLN 79 1HG GLN 79 -0.335 7.338 12.743 617 HG3 GLN 79 2HG GLN 79 -1.104 5.755 12.844 618 HE21 GLN 79 1HE2 GLN 79 2.018 7.076 13.899 619 HE22 GLN 79 2HE2 GLN 79 1.874 6.561 15.542 620 H TYR 80 H TYR 80 -1.717 7.061 9.918 621 HA TYR 80 HA TYR 80 0.028 9.058 8.650 622 HB2 TYR 80 1HB TYR 80 -0.820 8.034 6.741 623 HB3 TYR 80 2HB TYR 80 -2.374 7.690 7.491 624 HD1 TYR 80 1HD TYR 80 -0.275 10.555 6.349 625 HD2 TYR 80 2HD TYR 80 -4.197 9.041 7.002 626 HE1 TYR 80 1HE TYR 80 -1.220 12.566 5.295 627 HE2 TYR 80 2HE TYR 80 -5.153 11.047 5.948 628 HH TYR 80 HH TYR 80 -3.129 13.439 4.375 629 H GLU 81 H GLU 81 -0.183 10.868 9.777 630 HA GLU 81 HA GLU 81 -1.069 12.574 10.995 631 HB2 GLU 81 1HB GLU 81 -3.270 11.853 9.104 632 HB3 GLU 81 2HB GLU 81 -3.588 13.029 10.372 633 HG2 GLU 81 1HG GLU 81 -1.552 14.277 9.535 634 HG3 GLU 81 2HG GLU 81 -1.599 13.208 8.134 635 H GLY 82 H GLY 82 -0.924 10.252 12.415 636 HA2 GLY 82 1HA GLY 82 -1.672 9.346 14.389 637 HA3 GLY 82 2HA GLY 82 -2.786 10.701 14.496 638 H ILE 83 H ILE 83 -2.779 8.501 11.783 639 HA ILE 83 HA ILE 83 -5.296 7.334 12.777 640 HB ILE 83 HB ILE 83 -4.654 8.059 9.916 641 HG12 ILE 83 1HG1 ILE 83 -6.718 9.239 11.786 642 HG13 ILE 83 2HG1 ILE 83 -5.172 9.991 11.412 643 HG21 ILE 83 1HG2 ILE 83 -6.934 6.602 11.195 644 HG22 ILE 83 2HG2 ILE 83 -7.168 7.504 9.698 645 HG23 ILE 83 3HG2 ILE 83 -6.006 6.179 9.756 646 HD11 ILE 83 1HD1 ILE 83 -7.598 9.697 9.729 647 HD12 ILE 83 2HD1 ILE 83 -6.532 11.085 9.952 648 HD13 ILE 83 3HD1 ILE 83 -6.021 9.734 8.941 649 H PHE 84 H PHE 84 -5.455 5.174 12.722 650 HA PHE 84 HA PHE 84 -3.154 3.653 11.835 651 HB2 PHE 84 1HB PHE 84 -5.671 2.914 13.326 652 HB3 PHE 84 2HB PHE 84 -4.489 1.715 12.812 653 HD1 PHE 84 2HD PHE 84 -1.941 2.850 13.364 654 HD2 PHE 84 1HD PHE 84 -5.548 3.208 15.594 655 HE1 PHE 84 2HE PHE 84 -0.633 3.264 15.406 656 HE2 PHE 84 1HE PHE 84 -4.246 3.623 17.640 657 HZ PHE 84 HZ PHE 84 -1.785 3.651 17.548 658 H ILE 85 H ILE 85 -3.921 4.544 9.573 659 HA ILE 85 HA ILE 85 -6.062 3.570 8.170 660 HB ILE 85 HB ILE 85 -4.574 3.633 6.135 661 HG12 ILE 85 1HG1 ILE 85 -2.493 4.673 8.059 662 HG13 ILE 85 2HG1 ILE 85 -2.501 3.016 7.465 663 HG21 ILE 85 1HG2 ILE 85 -5.738 5.627 7.507 664 HG22 ILE 85 2HG2 ILE 85 -4.062 6.172 7.544 665 HG23 ILE 85 3HG2 ILE 85 -4.856 5.870 5.999 666 HD11 ILE 85 1HD1 ILE 85 -1.682 5.491 6.142 667 HD12 ILE 85 2HD1 ILE 85 -1.164 3.826 5.872 668 HD13 ILE 85 3HD1 ILE 85 -2.661 4.413 5.147 669 H LYS 86 H LYS 86 -6.689 1.671 7.325 670 HA LYS 86 HA LYS 86 -4.802 -0.588 7.462 671 HB2 LYS 86 1HB LYS 86 -7.608 -0.348 8.427 672 HB3 LYS 86 2HB LYS 86 -7.121 -1.884 7.722 673 HG2 LYS 86 1HG LYS 86 -5.425 -2.192 9.353 674 HG3 LYS 86 2HG LYS 86 -5.609 -0.540 9.946 675 HD2 LYS 86 1HD LYS 86 -6.789 -1.721 11.533 676 HD3 LYS 86 2HD LYS 86 -8.073 -1.293 10.400 677 HE2 LYS 86 1HE LYS 86 -7.881 -3.489 9.347 678 HE3 LYS 86 2HE LYS 86 -6.580 -3.914 10.459 679 HZ1 LYS 86 1HZ LYS 86 -8.203 -3.557 12.295 680 HZ2 LYS 86 2HZ LYS 86 -8.576 -4.860 11.283 681 HZ3 LYS 86 3HZ LYS 86 -9.423 -3.403 11.133 682 H ASP 87 H ASP 87 -5.313 -2.369 5.971 683 HA ASP 87 HA ASP 87 -5.679 -1.434 3.336 684 HB2 ASP 87 1HB ASP 87 -5.895 -4.000 2.883 685 HB3 ASP 87 2HB ASP 87 -4.361 -3.340 3.444 686 H SER 88 H SER 88 -7.905 -2.384 5.744 687 HA SER 88 HA SER 88 -10.010 -3.241 4.005 688 HB2 SER 88 1HB SER 88 -9.848 -3.935 6.389 689 HB3 SER 88 2HB SER 88 -10.194 -2.273 6.869 690 HG SER 88 HG SER 88 -11.924 -4.176 6.302 691 H ASN 89 H ASN 89 -8.824 -0.200 5.092 692 HA ASN 89 HA ASN 89 -11.281 1.188 4.333 693 HB2 ASN 89 1HB ASN 89 -8.762 2.049 5.740 694 HB3 ASN 89 2HB ASN 89 -9.916 3.227 5.122 695 HD21 ASN 89 1HD2 ASN 89 -9.732 0.328 7.144 696 HD22 ASN 89 2HD2 ASN 89 -10.941 0.829 8.273 697 H SER 90 H SER 90 -10.999 3.222 3.021 698 HA SER 90 HA SER 90 -9.302 2.607 0.710 699 HB2 SER 90 1HB SER 90 -11.640 4.518 0.938 700 HB3 SER 90 2HB SER 90 -10.766 4.128 -0.543 701 HG SER 90 HG SER 90 -12.162 2.245 1.057 702 H LEU 91 H LEU 91 -8.077 4.260 -0.316 703 HA LEU 91 HA LEU 91 -6.707 5.958 1.508 704 HB2 LEU 91 1HB LEU 91 -6.623 5.738 -1.494 705 HB3 LEU 91 2HB LEU 91 -5.564 6.795 -0.563 706 HG LEU 91 HG LEU 91 -5.613 3.878 0.066 707 HD11 LEU 91 1HD1 LEU 91 -5.225 4.686 -2.527 708 HD12 LEU 91 2HD1 LEU 91 -4.604 3.202 -1.805 709 HD13 LEU 91 3HD1 LEU 91 -3.585 4.639 -1.881 710 HD21 LEU 91 1HD2 LEU 91 -4.310 5.896 1.205 711 HD22 LEU 91 2HD2 LEU 91 -3.164 5.542 -0.088 712 HD23 LEU 91 3HD2 LEU 91 -3.612 4.283 1.063 713 H ALA 92 H ALA 92 -8.808 6.648 -1.287 714 HA ALA 92 HA ALA 92 -8.837 9.436 -0.991 715 HB1 ALA 92 1HB ALA 92 -9.608 8.751 -3.046 716 HB2 ALA 92 2HB ALA 92 -10.606 7.466 -2.365 717 HB3 ALA 92 3HB ALA 92 -11.120 9.148 -2.229 718 H TYR 93 H TYR 93 -10.734 6.911 0.528 719 HA TYR 93 HA TYR 93 -12.816 8.461 1.569 720 HB2 TYR 93 1HB TYR 93 -13.017 6.088 1.654 721 HB3 TYR 93 2HB TYR 93 -11.516 5.924 2.559 722 HD1 TYR 93 1HD TYR 93 -11.443 6.751 4.944 723 HD2 TYR 93 2HD TYR 93 -15.077 6.381 2.762 724 HE1 TYR 93 1HE TYR 93 -12.707 6.791 7.053 725 HE2 TYR 93 2HE TYR 93 -16.351 6.421 4.866 726 HH TYR 93 HH TYR 93 -15.500 5.730 7.544 727 H TYR 94 H TYR 94 -9.505 8.134 2.546 728 HA TYR 94 HA TYR 94 -9.943 9.354 5.139 729 HB2 TYR 94 1HB TYR 94 -7.522 8.328 3.681 730 HB3 TYR 94 2HB TYR 94 -7.354 9.304 5.136 731 HD1 TYR 94 2HD TYR 94 -9.112 8.438 7.068 732 HD2 TYR 94 1HD TYR 94 -7.328 6.065 4.021 733 HE1 TYR 94 2HE TYR 94 -9.429 6.431 8.454 734 HE2 TYR 94 1HE TYR 94 -7.641 4.051 5.398 735 HH TYR 94 HH TYR 94 -8.241 3.263 7.399 736 H ASN 95 H ASN 95 -9.876 10.512 2.085 737 HA ASN 95 HA ASN 95 -9.497 12.537 1.116 738 HB2 ASN 95 1HB ASN 95 -10.143 13.184 3.959 739 HB3 ASN 95 2HB ASN 95 -9.577 14.484 2.915 740 HD21 ASN 95 1HD2 ASN 95 -11.750 11.701 2.532 741 HD22 ASN 95 2HD2 ASN 95 -13.065 12.606 1.871 742 H MET 96 H MET 96 -7.195 11.239 1.280 743 HA MET 96 HA MET 96 -5.191 12.786 2.676 744 HB2 MET 96 1HB MET 96 -4.848 10.539 0.682 745 HB3 MET 96 2HB MET 96 -3.596 11.200 1.726 746 HG2 MET 96 1HG MET 96 -4.473 10.224 3.621 747 HG3 MET 96 2HG MET 96 -6.083 10.072 2.923 748 HE1 MET 96 1HE MET 96 -4.276 6.467 3.735 749 HE2 MET 96 2HE MET 96 -3.702 7.992 4.410 750 HE3 MET 96 3HE MET 96 -5.427 7.624 4.403 751 H ALA 97 H ALA 97 -3.396 13.817 1.611 752 HA ALA 97 HA ALA 97 -4.070 14.811 -1.082 753 HB1 ALA 97 1HB ALA 97 -2.557 16.811 -0.140 754 HB2 ALA 97 2HB ALA 97 -4.311 16.758 0.042 755 HB3 ALA 97 3HB ALA 97 -3.271 16.248 1.372 756 H SER 98 H SER 98 -2.278 15.378 -2.448 757 HA SER 98 HA SER 98 -0.319 13.464 -2.680 758 HB2 SER 98 1HB SER 98 0.798 14.958 -4.247 759 HB3 SER 98 2HB SER 98 -0.948 15.074 -4.464 760 HG SER 98 HG SER 98 -0.575 16.905 -2.793 761 H GLY 99 H GLY 99 2.156 14.206 -2.790 762 HA2 GLY 99 1HA GLY 99 4.016 14.364 -1.433 763 HA3 GLY 99 2HA GLY 99 3.343 15.944 -1.062 764 H ALA 100 H ALA 100 1.847 12.876 -0.223 765 HA ALA 100 HA ALA 100 1.721 13.671 2.547 766 HB1 ALA 100 1HB ALA 100 -0.135 12.463 2.441 767 HB2 ALA 100 2HB ALA 100 0.305 11.867 0.840 768 HB3 ALA 100 3HB ALA 100 0.849 11.008 2.280 769 H VAL 101 H VAL 101 2.190 11.886 4.225 770 HA VAL 101 HA VAL 101 4.619 10.385 3.570 771 HB VAL 101 HB VAL 101 5.462 12.450 4.501 772 HG11 VAL 101 1HG1 VAL 101 4.519 12.310 7.188 773 HG12 VAL 101 2HG1 VAL 101 4.336 13.618 6.016 774 HG13 VAL 101 3HG1 VAL 101 3.134 12.330 6.097 775 HG21 VAL 101 1HG2 VAL 101 6.689 10.481 5.109 776 HG22 VAL 101 2HG2 VAL 101 6.634 11.552 6.508 777 HG23 VAL 101 3HG2 VAL 101 5.579 10.141 6.436 778 H ILE 102 H ILE 102 3.992 8.358 3.962 779 HA ILE 102 HA ILE 102 2.199 7.768 6.178 780 HB ILE 102 HB ILE 102 3.399 5.840 4.190 781 HG12 ILE 102 1HG1 ILE 102 2.048 7.660 3.124 782 HG13 ILE 102 2HG1 ILE 102 1.376 6.049 2.900 783 HG21 ILE 102 1HG2 ILE 102 0.798 5.231 5.347 784 HG22 ILE 102 2HG2 ILE 102 2.237 4.223 5.198 785 HG23 ILE 102 3HG2 ILE 102 2.082 5.343 6.551 786 HD11 ILE 102 1HD1 ILE 102 -0.102 8.129 3.607 787 HD12 ILE 102 2HD1 ILE 102 -0.453 6.490 4.157 788 HD13 ILE 102 3HD1 ILE 102 0.404 7.611 5.215 789 H HIS 103 H HIS 103 3.085 7.551 8.124 790 HA HIS 103 HA HIS 103 5.825 6.813 8.509 791 HB2 HIS 103 1HB HIS 103 3.593 7.061 10.536 792 HB3 HIS 103 2HB HIS 103 5.313 6.965 10.902 793 HD1 HIS 103 1HD HIS 103 6.466 9.142 11.155 794 HD2 HIS 103 2HD HIS 103 2.965 9.489 8.946 795 HE1 HIS 103 1HE HIS 103 6.186 11.603 10.722 796 HE2 HIS 103 2HE HIS 103 4.017 11.796 9.457 797 H LEU 104 H LEU 104 6.597 4.818 8.472 798 HA LEU 104 HA LEU 104 4.793 2.552 8.715 799 HB2 LEU 104 1HB LEU 104 6.680 2.853 6.981 800 HB3 LEU 104 2HB LEU 104 7.755 2.374 8.293 801 HG LEU 104 HG LEU 104 5.446 0.646 7.464 802 HD11 LEU 104 1HD1 LEU 104 6.413 0.466 5.450 803 HD12 LEU 104 2HD1 LEU 104 7.601 -0.524 6.297 804 HD13 LEU 104 3HD1 LEU 104 7.928 1.183 5.999 805 HD21 LEU 104 1HD2 LEU 104 7.985 -0.501 8.372 806 HD22 LEU 104 2HD2 LEU 104 6.330 -0.880 8.849 807 HD23 LEU 104 3HD2 LEU 104 7.163 0.498 9.570 808 H ALA 105 H ALA 105 4.714 1.158 10.388 809 HA ALA 105 HA ALA 105 6.774 1.288 12.462 810 HB1 ALA 105 1HB ALA 105 3.853 1.422 13.173 811 HB2 ALA 105 2HB ALA 105 5.243 1.602 14.244 812 HB3 ALA 105 3HB ALA 105 4.885 2.847 13.048 813 H LEU 106 H LEU 106 6.211 -0.449 14.212 814 HA LEU 106 HA LEU 106 5.365 -2.886 12.787 815 HB2 LEU 106 1HB LEU 106 7.614 -3.221 13.189 816 HB3 LEU 106 2HB LEU 106 7.572 -2.358 14.725 817 HG LEU 106 HG LEU 106 6.351 -4.285 15.712 818 HD11 LEU 106 1HD1 LEU 106 5.380 -5.707 14.306 819 HD12 LEU 106 2HD1 LEU 106 6.987 -6.362 13.997 820 HD13 LEU 106 3HD1 LEU 106 6.324 -5.117 12.938 821 HD21 LEU 106 1HD2 LEU 106 8.718 -5.642 14.717 822 HD22 LEU 106 2HD2 LEU 106 8.319 -5.115 16.352 823 HD23 LEU 106 3HD2 LEU 106 9.048 -3.982 15.212 824 H LYS 107 H LYS 107 3.699 -3.981 13.594 825 HA LYS 107 HA LYS 107 2.281 -3.014 15.869 826 HB2 LYS 107 1HB LYS 107 1.327 -4.163 13.784 827 HB3 LYS 107 2HB LYS 107 1.822 -5.675 14.534 828 HG2 LYS 107 1HG LYS 107 0.308 -5.432 16.297 829 HG3 LYS 107 2HG LYS 107 0.067 -3.714 15.970 830 HD2 LYS 107 1HD LYS 107 -1.099 -4.232 13.915 831 HD3 LYS 107 2HD LYS 107 -0.771 -5.953 14.128 832 HE2 LYS 107 1HE LYS 107 -2.020 -5.717 16.353 833 HE3 LYS 107 2HE LYS 107 -2.593 -4.175 15.720 834 HZ1 LYS 107 1HZ LYS 107 -3.368 -6.862 15.005 835 HZ2 LYS 107 2HZ LYS 107 -3.099 -5.848 13.679 836 HZ3 LYS 107 3HZ LYS 107 -4.228 -5.412 14.860 837 H GLU 108 H GLU 108 2.249 -3.719 17.931 838 HA GLU 108 HA GLU 108 4.386 -5.213 18.958 839 HB2 GLU 108 1HB GLU 108 2.881 -5.335 21.043 840 HB3 GLU 108 2HB GLU 108 3.380 -3.748 20.475 841 HG2 GLU 108 1HG GLU 108 1.269 -3.253 19.625 842 HG3 GLU 108 2HG GLU 108 0.770 -4.943 19.630 843 H ARG 109 H ARG 109 4.749 -7.325 19.029 844 HA ARG 109 HA ARG 109 2.759 -9.261 19.581 845 HB2 ARG 109 1HB ARG 109 2.423 -8.569 17.077 846 HB3 ARG 109 2HB ARG 109 3.838 -9.577 16.804 847 HG2 ARG 109 1HG ARG 109 2.582 -11.411 18.031 848 HG3 ARG 109 2HG ARG 109 1.154 -10.387 17.871 849 HD2 ARG 109 1HD ARG 109 1.177 -10.527 15.533 850 HD3 ARG 109 2HD ARG 109 2.844 -11.101 15.497 851 HE ARG 109 HE ARG 109 1.173 -12.934 16.871 852 HH11 ARG 109 2HH1 ARG 109 1.993 -11.808 13.680 853 HH12 ARG 109 1HH1 ARG 109 1.579 -13.301 12.905 854 HH21 ARG 109 2HH2 ARG 109 0.625 -14.905 15.861 855 HH22 ARG 109 1HH2 ARG 109 0.800 -15.061 14.146 856 H SER 110 H SER 110 3.814 -10.761 20.685 857 HA SER 110 HA SER 110 6.593 -10.915 20.885 858 HB2 SER 110 1HB SER 110 6.224 -13.001 22.122 859 HB3 SER 110 2HB SER 110 5.056 -11.774 22.611 860 HG SER 110 HG SER 110 3.923 -13.643 22.278 861 H GLY 111 H GLY 111 7.714 -13.190 20.570 862 HA2 GLY 111 1HA GLY 111 7.495 -15.126 18.898 863 HA3 GLY 111 2HA GLY 111 7.375 -13.832 17.714 864 HA PRO 112 HA PRO 112 11.878 -13.653 19.491 865 HB2 PRO 112 1HB PRO 112 12.647 -15.755 21.027 866 HB3 PRO 112 2HB PRO 112 11.916 -14.292 21.698 867 HG2 PRO 112 1HG PRO 112 10.648 -16.935 21.091 868 HG3 PRO 112 2HG PRO 112 10.436 -15.891 22.509 869 HD2 PRO 112 1HD PRO 112 8.646 -15.971 20.480 870 HD3 PRO 112 2HD PRO 112 8.957 -14.498 21.421 871 H SER 113 H SER 113 13.292 -14.159 17.945 872 HA SER 113 HA SER 113 13.311 -16.911 16.894 873 HB2 SER 113 1HB SER 113 13.688 -16.041 14.649 874 HB3 SER 113 2HB SER 113 12.204 -15.354 15.309 875 HG SER 113 HG SER 113 13.883 -13.624 16.024 876 H SER 114 H SER 114 15.372 -17.333 15.603 877 HA SER 114 HA SER 114 17.628 -16.373 17.207 878 HB2 SER 114 1HB SER 114 18.804 -18.342 16.523 879 HB3 SER 114 2HB SER 114 17.172 -18.851 16.957 880 HG SER 114 HG SER 114 17.668 -19.801 15.016 881 H GLY 115 H GLY 115 16.684 -16.899 13.821 882 HA2 GLY 115 1HA GLY 115 18.738 -14.914 13.061 883 HA3 GLY 115 2HA GLY 115 18.410 -16.343 12.091 Start of MODEL 13 1 H1 GLY 1 H GLY 1 7.767 28.426 7.211 2 HA2 GLY 1 1HA GLY 1 6.706 26.394 7.326 3 HA3 GLY 1 2HA GLY 1 5.442 27.227 8.219 4 H SER 2 H SER 2 4.180 25.521 7.012 5 HA SER 2 HA SER 2 3.227 26.691 4.491 6 HB2 SER 2 1HB SER 2 4.718 24.676 4.100 7 HB3 SER 2 2HB SER 2 3.489 23.710 4.916 8 HG SER 2 HG SER 2 2.624 23.609 3.004 9 H SER 3 H SER 3 1.064 26.820 4.305 10 HA SER 3 HA SER 3 -0.532 25.752 6.524 11 HB2 SER 3 1HB SER 3 -0.983 28.023 4.590 12 HB3 SER 3 2HB SER 3 -2.275 27.390 5.610 13 HG SER 3 HG SER 3 -1.485 28.772 6.993 14 H GLY 4 H GLY 4 -0.898 23.653 5.845 15 HA2 GLY 4 1HA GLY 4 -2.463 23.385 3.351 16 HA3 GLY 4 2HA GLY 4 -1.369 22.144 3.944 17 H SER 5 H SER 5 -3.717 24.054 5.781 18 HA SER 5 HA SER 5 -4.669 21.894 7.268 19 HB2 SER 5 1HB SER 5 -5.795 24.618 6.664 20 HB3 SER 5 2HB SER 5 -6.698 23.461 7.641 21 HG SER 5 HG SER 5 -5.492 24.641 9.053 22 H SER 6 H SER 6 -6.277 20.438 7.008 23 HA SER 6 HA SER 6 -7.578 20.373 4.376 24 HB2 SER 6 1HB SER 6 -6.232 18.399 4.936 25 HB3 SER 6 2HB SER 6 -7.182 18.157 6.402 26 HG SER 6 HG SER 6 -7.728 17.401 3.868 27 H GLY 7 H GLY 7 -8.326 19.559 7.772 28 HA2 GLY 7 1HA GLY 7 -10.592 21.074 8.079 29 HA3 GLY 7 2HA GLY 7 -11.152 19.597 7.309 30 H THR 8 H THR 8 -11.890 18.129 8.674 31 HA THR 8 HA THR 8 -10.475 17.620 11.169 32 HB THR 8 HB THR 8 -12.973 17.501 12.170 33 HG1 THR 8 1HG THR 8 -13.006 19.360 10.061 34 HG21 THR 8 1HG2 THR 8 -12.425 19.382 13.448 35 HG22 THR 8 2HG2 THR 8 -11.549 20.144 12.120 36 HG23 THR 8 3HG2 THR 8 -10.857 18.749 12.947 37 H GLU 9 H GLU 9 -10.323 15.501 11.516 38 HA GLU 9 HA GLU 9 -11.149 13.546 9.791 39 HB2 GLU 9 1HB GLU 9 -10.631 13.380 12.759 40 HB3 GLU 9 2HB GLU 9 -10.905 11.962 11.757 41 HG2 GLU 9 1HG GLU 9 -8.589 12.133 11.915 42 HG3 GLU 9 2HG GLU 9 -8.973 12.796 10.328 43 H ASP 10 H ASP 10 -12.964 15.021 12.383 44 HA ASP 10 HA ASP 10 -15.029 13.150 12.642 45 HB2 ASP 10 1HB ASP 10 -14.871 14.863 14.282 46 HB3 ASP 10 2HB ASP 10 -14.948 16.135 13.066 47 H SER 11 H SER 11 -14.533 15.752 10.332 48 HA SER 11 HA SER 11 -16.865 14.764 8.828 49 HB2 SER 11 1HB SER 11 -17.130 17.158 8.014 50 HB3 SER 11 2HB SER 11 -17.557 16.872 9.701 51 HG SER 11 HG SER 11 -16.280 18.639 9.750 52 H LEU 12 H LEU 12 -15.109 13.438 7.854 53 HA LEU 12 HA LEU 12 -13.248 14.833 6.124 54 HB2 LEU 12 1HB LEU 12 -13.706 12.021 6.954 55 HB3 LEU 12 2HB LEU 12 -12.912 12.296 5.405 56 HG LEU 12 HG LEU 12 -11.883 13.573 7.917 57 HD11 LEU 12 1HD1 LEU 12 -12.173 10.934 7.906 58 HD12 LEU 12 2HD1 LEU 12 -10.753 11.723 8.592 59 HD13 LEU 12 3HD1 LEU 12 -10.681 11.034 6.970 60 HD21 LEU 12 1HD2 LEU 12 -11.180 14.123 5.467 61 HD22 LEU 12 2HD2 LEU 12 -10.272 12.616 5.591 62 HD23 LEU 12 3HD2 LEU 12 -9.949 13.936 6.717 63 H MET 13 H MET 13 -13.310 14.903 3.908 64 HA MET 13 HA MET 13 -15.741 15.057 2.609 65 HB2 MET 13 1HB MET 13 -12.912 14.883 1.746 66 HB3 MET 13 2HB MET 13 -14.122 14.523 0.523 67 HG2 MET 13 1HG MET 13 -13.957 16.748 0.186 68 HG3 MET 13 2HG MET 13 -15.177 16.769 1.458 69 HE1 MET 13 1HE MET 13 -13.969 19.109 3.797 70 HE2 MET 13 2HE MET 13 -15.220 18.068 3.117 71 HE3 MET 13 3HE MET 13 -14.140 17.449 4.367 72 HA PRO 14 HA PRO 14 -17.032 10.957 1.714 73 HB2 PRO 14 1HB PRO 14 -18.313 11.329 -0.651 74 HB3 PRO 14 2HB PRO 14 -18.970 11.880 0.895 75 HG2 PRO 14 1HG PRO 14 -17.500 13.433 -1.200 76 HG3 PRO 14 2HG PRO 14 -18.941 13.891 -0.273 77 HD2 PRO 14 1HD PRO 14 -16.462 14.781 0.354 78 HD3 PRO 14 2HD PRO 14 -17.711 14.492 1.582 79 H GLU 15 H GLU 15 -17.323 9.641 -0.621 80 HA GLU 15 HA GLU 15 -14.554 9.303 -1.488 81 HB2 GLU 15 1HB GLU 15 -15.999 7.376 -0.657 82 HB3 GLU 15 2HB GLU 15 -16.890 7.523 -2.165 83 HG2 GLU 15 1HG GLU 15 -14.926 7.008 -3.442 84 HG3 GLU 15 2HG GLU 15 -13.929 7.024 -1.989 85 H GLU 16 H GLU 16 -17.742 10.072 -2.741 86 HA GLU 16 HA GLU 16 -17.018 9.970 -5.493 87 HB2 GLU 16 1HB GLU 16 -19.325 9.751 -4.989 88 HB3 GLU 16 2HB GLU 16 -19.327 11.211 -4.010 89 HG2 GLU 16 1HG GLU 16 -20.360 11.932 -5.924 90 HG3 GLU 16 2HG GLU 16 -18.686 12.389 -6.232 91 H GLU 17 H GLU 17 -17.754 12.760 -3.389 92 HA GLU 17 HA GLU 17 -16.923 14.747 -5.144 93 HB2 GLU 17 1HB GLU 17 -18.105 14.846 -2.789 94 HB3 GLU 17 2HB GLU 17 -16.463 15.083 -2.210 95 HG2 GLU 17 1HG GLU 17 -16.298 16.968 -3.900 96 HG3 GLU 17 2HG GLU 17 -18.046 16.821 -4.071 97 H PHE 18 H PHE 18 -15.065 13.066 -2.627 98 HA PHE 18 HA PHE 18 -12.699 14.359 -2.617 99 HB2 PHE 18 1HB PHE 18 -12.763 12.485 -1.241 100 HB3 PHE 18 2HB PHE 18 -13.337 11.433 -2.531 101 HD1 PHE 18 2HD PHE 18 -10.394 13.105 -1.105 102 HD2 PHE 18 1HD PHE 18 -11.819 10.330 -4.000 103 HE1 PHE 18 2HE PHE 18 -8.091 12.331 -1.492 104 HE2 PHE 18 1HE PHE 18 -9.518 9.550 -4.391 105 HZ PHE 18 HZ PHE 18 -7.650 10.552 -3.137 106 H LEU 19 H LEU 19 -13.392 11.720 -4.919 107 HA LEU 19 HA LEU 19 -11.151 11.864 -6.478 108 HB2 LEU 19 1HB LEU 19 -13.962 11.436 -7.477 109 HB3 LEU 19 2HB LEU 19 -12.482 10.956 -8.305 110 HG LEU 19 HG LEU 19 -13.383 9.845 -5.650 111 HD11 LEU 19 1HD1 LEU 19 -14.381 9.317 -8.252 112 HD12 LEU 19 2HD1 LEU 19 -14.771 8.505 -6.736 113 HD13 LEU 19 3HD1 LEU 19 -13.438 7.920 -7.732 114 HD21 LEU 19 1HD2 LEU 19 -11.139 9.184 -7.540 115 HD22 LEU 19 2HD2 LEU 19 -11.714 8.056 -6.311 116 HD23 LEU 19 3HD2 LEU 19 -11.042 9.616 -5.833 117 H ARG 20 H ARG 20 -14.060 13.866 -6.731 118 HA ARG 20 HA ARG 20 -13.332 15.269 -9.053 119 HB2 ARG 20 1HB ARG 20 -15.054 16.172 -6.737 120 HB3 ARG 20 2HB ARG 20 -14.978 16.956 -8.310 121 HG2 ARG 20 1HG ARG 20 -15.712 14.721 -9.280 122 HG3 ARG 20 2HG ARG 20 -16.100 14.262 -7.621 123 HD2 ARG 20 1HD ARG 20 -17.458 16.429 -7.538 124 HD3 ARG 20 2HD ARG 20 -17.299 16.448 -9.293 125 HE ARG 20 HE ARG 20 -18.952 14.692 -7.713 126 HH11 ARG 20 2HH1 ARG 20 -17.362 15.184 -10.771 127 HH12 ARG 20 1HH1 ARG 20 -18.416 14.118 -11.639 128 HH21 ARG 20 2HH2 ARG 20 -20.347 13.286 -8.845 129 HH22 ARG 20 1HH2 ARG 20 -20.114 13.040 -10.542 130 H ARG 21 H ARG 21 -12.534 15.750 -5.671 131 HA ARG 21 HA ARG 21 -11.226 18.285 -6.194 132 HB2 ARG 21 1HB ARG 21 -11.592 16.616 -3.711 133 HB3 ARG 21 2HB ARG 21 -10.590 18.061 -3.734 134 HG2 ARG 21 1HG ARG 21 -13.418 18.196 -4.681 135 HG3 ARG 21 2HG ARG 21 -13.057 18.210 -2.954 136 HD2 ARG 21 1HD ARG 21 -11.623 20.153 -3.253 137 HD3 ARG 21 2HD ARG 21 -11.916 20.119 -4.991 138 HE ARG 21 HE ARG 21 -14.312 20.335 -3.418 139 HH11 ARG 21 2HH1 ARG 21 -11.710 22.085 -4.931 140 HH12 ARG 21 1HH1 ARG 21 -12.604 23.564 -5.056 141 HH21 ARG 21 2HH2 ARG 21 -15.499 22.276 -3.577 142 HH22 ARG 21 1HH2 ARG 21 -14.758 23.672 -4.284 143 H ASN 22 H ASN 22 -10.106 15.309 -4.577 144 HA ASN 22 HA ASN 22 -7.453 15.780 -5.763 145 HB2 ASN 22 1HB ASN 22 -8.073 14.091 -3.335 146 HB3 ASN 22 2HB ASN 22 -6.491 14.629 -3.890 147 HD21 ASN 22 1HD2 ASN 22 -9.543 15.681 -2.521 148 HD22 ASN 22 2HD2 ASN 22 -8.935 17.131 -1.802 149 H LYS 23 H LYS 23 -7.239 14.586 -7.546 150 HA LYS 23 HA LYS 23 -8.319 11.856 -7.573 151 HB2 LYS 23 1HB LYS 23 -8.896 13.538 -9.402 152 HB3 LYS 23 2HB LYS 23 -7.228 13.378 -9.936 153 HG2 LYS 23 1HG LYS 23 -7.520 11.155 -10.576 154 HG3 LYS 23 2HG LYS 23 -8.996 10.979 -9.624 155 HD2 LYS 23 1HD LYS 23 -8.884 12.955 -11.867 156 HD3 LYS 23 2HD LYS 23 -9.149 11.244 -12.209 157 HE2 LYS 23 1HE LYS 23 -10.804 12.845 -10.265 158 HE3 LYS 23 2HE LYS 23 -11.236 12.612 -11.958 159 HZ1 LYS 23 1HZ LYS 23 -12.389 10.960 -10.820 160 HZ2 LYS 23 2HZ LYS 23 -11.086 10.592 -9.807 161 HZ3 LYS 23 3HZ LYS 23 -11.042 10.143 -11.438 162 H GLY 24 H GLY 24 -5.365 13.711 -8.182 163 HA2 GLY 24 1HA GLY 24 -3.244 12.831 -7.437 164 HA3 GLY 24 2HA GLY 24 -3.843 11.217 -7.792 165 HA PRO 25 HA PRO 25 -2.364 9.991 -8.264 166 HB2 PRO 25 1HB PRO 25 0.270 9.585 -8.779 167 HB3 PRO 25 2HB PRO 25 -1.020 8.876 -9.757 168 HG2 PRO 25 1HG PRO 25 0.637 11.312 -10.286 169 HG3 PRO 25 2HG PRO 25 0.153 10.023 -11.404 170 HD2 PRO 25 1HD PRO 25 -1.102 12.421 -11.314 171 HD3 PRO 25 2HD PRO 25 -1.949 10.914 -11.720 172 H VAL 26 H VAL 26 -1.313 9.920 -6.259 173 HA VAL 26 HA VAL 26 -0.134 12.480 -5.420 174 HB VAL 26 HB VAL 26 -0.715 11.807 -3.118 175 HG11 VAL 26 1HG1 VAL 26 -2.290 13.201 -4.201 176 HG12 VAL 26 2HG1 VAL 26 -2.924 11.863 -5.161 177 HG13 VAL 26 3HG1 VAL 26 -3.220 11.922 -3.423 178 HG21 VAL 26 1HG2 VAL 26 -0.669 9.459 -3.157 179 HG22 VAL 26 2HG2 VAL 26 -2.367 9.873 -2.926 180 HG23 VAL 26 3HG2 VAL 26 -1.789 9.374 -4.516 181 H SER 27 H SER 27 1.647 12.456 -3.931 182 HA SER 27 HA SER 27 3.341 10.066 -4.240 183 HB2 SER 27 1HB SER 27 4.322 11.956 -5.376 184 HB3 SER 27 2HB SER 27 4.107 12.979 -3.955 185 HG SER 27 HG SER 27 6.258 11.847 -4.443 186 H ILE 28 H ILE 28 3.210 8.901 -2.428 187 HA ILE 28 HA ILE 28 3.232 10.303 0.157 188 HB ILE 28 HB ILE 28 2.490 8.112 1.107 189 HG12 ILE 28 1HG1 ILE 28 1.741 7.263 -1.663 190 HG13 ILE 28 2HG1 ILE 28 3.367 6.927 -1.078 191 HG21 ILE 28 1HG2 ILE 28 0.420 8.907 0.955 192 HG22 ILE 28 2HG2 ILE 28 1.030 10.074 -0.217 193 HG23 ILE 28 3HG2 ILE 28 0.342 8.548 -0.770 194 HD11 ILE 28 1HD1 ILE 28 1.876 6.034 0.996 195 HD12 ILE 28 2HD1 ILE 28 0.813 5.690 -0.369 196 HD13 ILE 28 3HD1 ILE 28 2.448 5.031 -0.337 197 H LYS 29 H LYS 29 4.830 9.981 1.613 198 HA LYS 29 HA LYS 29 7.095 8.326 0.742 199 HB2 LYS 29 1HB LYS 29 7.421 10.795 1.181 200 HB3 LYS 29 2HB LYS 29 7.099 10.462 2.877 201 HG2 LYS 29 1HG LYS 29 9.205 8.869 1.522 202 HG3 LYS 29 2HG LYS 29 9.552 10.555 1.913 203 HD2 LYS 29 1HD LYS 29 8.535 9.826 4.254 204 HD3 LYS 29 2HD LYS 29 9.085 8.237 3.714 205 HE2 LYS 29 1HE LYS 29 10.966 8.975 4.788 206 HE3 LYS 29 2HE LYS 29 11.290 9.558 3.156 207 HZ1 LYS 29 1HZ LYS 29 10.935 11.041 5.556 208 HZ2 LYS 29 2HZ LYS 29 9.849 11.558 4.367 209 HZ3 LYS 29 3HZ LYS 29 11.511 11.560 4.052 210 H VAL 30 H VAL 30 7.809 6.643 1.926 211 HA VAL 30 HA VAL 30 6.288 5.975 4.348 212 HB VAL 30 HB VAL 30 7.984 4.205 2.581 213 HG11 VAL 30 1HG1 VAL 30 8.142 3.032 4.510 214 HG12 VAL 30 2HG1 VAL 30 6.716 3.793 5.219 215 HG13 VAL 30 3HG1 VAL 30 6.530 2.492 4.042 216 HG21 VAL 30 1HG2 VAL 30 5.665 3.146 2.204 217 HG22 VAL 30 2HG2 VAL 30 5.032 4.680 2.800 218 HG23 VAL 30 3HG2 VAL 30 6.049 4.646 1.360 219 H GLN 31 H GLN 31 7.272 6.681 6.134 220 HA GLN 31 HA GLN 31 10.104 7.018 6.326 221 HB2 GLN 31 1HB GLN 31 8.311 8.367 7.540 222 HB3 GLN 31 2HB GLN 31 8.162 6.995 8.630 223 HG2 GLN 31 1HG GLN 31 9.634 8.857 9.426 224 HG3 GLN 31 2HG GLN 31 10.372 7.256 9.417 225 HE21 GLN 31 1HE2 GLN 31 12.458 7.643 9.078 226 HE22 GLN 31 2HE2 GLN 31 13.106 8.549 7.758 227 H VAL 32 H VAL 32 11.102 5.045 6.027 228 HA VAL 32 HA VAL 32 10.341 2.730 7.563 229 HB VAL 32 HB VAL 32 12.809 3.159 5.874 230 HG11 VAL 32 1HG1 VAL 32 12.706 1.277 7.640 231 HG12 VAL 32 2HG1 VAL 32 11.562 0.517 6.532 232 HG13 VAL 32 3HG1 VAL 32 13.205 0.874 5.998 233 HG21 VAL 32 1HG2 VAL 32 11.057 1.449 4.551 234 HG22 VAL 32 2HG2 VAL 32 10.038 2.756 5.155 235 HG23 VAL 32 3HG2 VAL 32 11.425 3.122 4.129 236 HA PRO 33 HA PRO 33 12.766 3.971 11.098 237 HB2 PRO 33 1HB PRO 33 12.205 1.772 12.588 238 HB3 PRO 33 2HB PRO 33 11.065 3.106 12.377 239 HG2 PRO 33 1HG PRO 33 11.173 0.466 10.971 240 HG3 PRO 33 2HG PRO 33 9.766 1.337 11.609 241 HD2 PRO 33 1HD PRO 33 10.423 1.357 8.982 242 HD3 PRO 33 2HD PRO 33 9.648 2.739 9.783 243 H ASN 34 H ASN 34 14.307 2.610 12.607 244 HA ASN 34 HA ASN 34 15.951 0.850 10.913 245 HB2 ASN 34 1HB ASN 34 17.041 3.022 11.055 246 HB3 ASN 34 2HB ASN 34 16.916 2.999 12.812 247 HD21 ASN 34 1HD2 ASN 34 19.319 3.360 11.507 248 HD22 ASN 34 2HD2 ASN 34 20.329 1.986 11.789 249 H MET 35 H MET 35 15.351 -1.073 11.812 250 HA MET 35 HA MET 35 15.508 -1.371 14.720 251 HB2 MET 35 1HB MET 35 14.176 -2.869 12.522 252 HB3 MET 35 2HB MET 35 14.677 -3.784 13.937 253 HG2 MET 35 1HG MET 35 13.430 -2.025 15.299 254 HG3 MET 35 2HG MET 35 12.712 -1.530 13.768 255 HE1 MET 35 1HE MET 35 10.356 -1.969 15.012 256 HE2 MET 35 2HE MET 35 10.391 -2.289 13.278 257 HE3 MET 35 3HE MET 35 9.564 -3.406 14.365 258 H GLN 36 H GLN 36 17.660 -1.520 15.192 259 HA GLN 36 HA GLN 36 19.324 -3.389 13.697 260 HB2 GLN 36 1HB GLN 36 21.038 -2.466 15.492 261 HB3 GLN 36 2HB GLN 36 20.611 -1.531 14.066 262 HG2 GLN 36 1HG GLN 36 19.087 -0.186 15.320 263 HG3 GLN 36 2HG GLN 36 19.277 -1.211 16.741 264 HE21 GLN 36 1HE2 GLN 36 21.745 -1.482 17.288 265 HE22 GLN 36 2HE2 GLN 36 22.608 0.009 17.408 266 H ASP 37 H ASP 37 17.987 -2.929 16.924 267 HA ASP 37 HA ASP 37 19.248 -4.739 18.469 268 HB2 ASP 37 1HB ASP 37 17.066 -3.351 18.887 269 HB3 ASP 37 2HB ASP 37 16.253 -4.843 18.424 270 H LYS 38 H LYS 38 16.301 -5.734 16.729 271 HA LYS 38 HA LYS 38 17.456 -7.985 15.486 272 HB2 LYS 38 1HB LYS 38 17.463 -8.608 17.993 273 HB3 LYS 38 2HB LYS 38 15.721 -8.770 17.815 274 HG2 LYS 38 1HG LYS 38 16.616 -10.931 17.555 275 HG3 LYS 38 2HG LYS 38 16.183 -10.384 15.934 276 HD2 LYS 38 1HD LYS 38 18.302 -11.346 15.676 277 HD3 LYS 38 2HD LYS 38 18.617 -9.611 15.746 278 HE2 LYS 38 1HE LYS 38 20.235 -10.612 17.138 279 HE3 LYS 38 2HE LYS 38 19.027 -9.928 18.226 280 HZ1 LYS 38 1HZ LYS 38 19.373 -12.024 19.086 281 HZ2 LYS 38 2HZ LYS 38 19.534 -12.754 17.568 282 HZ3 LYS 38 3HZ LYS 38 18.008 -12.274 18.118 283 H THR 39 H THR 39 16.177 -8.504 13.834 284 HA THR 39 HA THR 39 13.376 -8.783 13.976 285 HB THR 39 HB THR 39 13.495 -6.292 14.123 286 HG1 THR 39 1HG THR 39 11.690 -6.234 12.994 287 HG21 THR 39 1HG2 THR 39 14.811 -6.643 11.443 288 HG22 THR 39 2HG2 THR 39 15.363 -5.698 12.825 289 HG23 THR 39 3HG2 THR 39 13.977 -5.154 11.881 290 H GLU 40 H GLU 40 12.421 -9.362 11.931 291 HA GLU 40 HA GLU 40 14.437 -10.324 10.023 292 HB2 GLU 40 1HB GLU 40 12.708 -11.914 9.280 293 HB3 GLU 40 2HB GLU 40 13.055 -12.072 10.996 294 HG2 GLU 40 1HG GLU 40 10.760 -10.427 9.989 295 HG3 GLU 40 2HG GLU 40 10.620 -12.162 10.267 296 H TRP 41 H TRP 41 13.721 -7.621 9.904 297 HA TRP 41 HA TRP 41 12.428 -7.552 7.270 298 HB2 TRP 41 1HB TRP 41 11.880 -5.501 9.421 299 HB3 TRP 41 2HB TRP 41 11.116 -5.620 7.838 300 HD1 TRP 41 HD TRP 41 10.295 -8.648 7.807 301 HE1 TRP 41 1HE TRP 41 8.462 -9.513 9.393 302 HE3 TRP 41 3HE TRP 41 10.478 -4.963 11.346 303 HZ2 TRP 41 2HZ TRP 41 7.253 -8.736 11.823 304 HZ3 TRP 41 3HZ TRP 41 8.950 -5.098 13.269 305 HH2 TRP 41 HH TRP 41 7.371 -6.946 13.501 306 H LYS 42 H LYS 42 12.846 -5.451 6.132 307 HA LYS 42 HA LYS 42 15.652 -4.748 6.485 308 HB2 LYS 42 1HB LYS 42 13.705 -4.035 4.283 309 HB3 LYS 42 2HB LYS 42 15.423 -3.657 4.283 310 HG2 LYS 42 1HG LYS 42 14.604 -6.494 4.615 311 HG3 LYS 42 2HG LYS 42 14.473 -5.756 3.017 312 HD2 LYS 42 1HD LYS 42 16.895 -4.986 3.400 313 HD3 LYS 42 2HD LYS 42 16.921 -6.176 4.704 314 HE2 LYS 42 1HE LYS 42 17.678 -7.483 2.997 315 HE3 LYS 42 2HE LYS 42 15.944 -7.736 2.800 316 HZ1 LYS 42 1HZ LYS 42 15.866 -6.373 0.961 317 HZ2 LYS 42 2HZ LYS 42 17.366 -7.127 0.758 318 HZ3 LYS 42 3HZ LYS 42 17.288 -5.547 1.359 319 H LEU 43 H LEU 43 15.482 -3.442 8.352 320 HA LEU 43 HA LEU 43 14.303 -0.792 7.838 321 HB2 LEU 43 1HB LEU 43 14.511 -2.183 10.504 322 HB3 LEU 43 2HB LEU 43 13.821 -0.588 10.210 323 HG LEU 43 HG LEU 43 12.700 -3.234 9.291 324 HD11 LEU 43 1HD1 LEU 43 11.462 -3.223 11.133 325 HD12 LEU 43 2HD1 LEU 43 10.985 -1.545 10.877 326 HD13 LEU 43 3HD1 LEU 43 12.482 -1.916 11.734 327 HD21 LEU 43 1HD2 LEU 43 11.918 -1.955 7.600 328 HD22 LEU 43 2HD2 LEU 43 12.146 -0.447 8.485 329 HD23 LEU 43 3HD2 LEU 43 10.742 -1.463 8.819 330 H ASN 44 H ASN 44 16.054 0.387 7.301 331 HA ASN 44 HA ASN 44 18.198 0.570 9.299 332 HB2 ASN 44 1HB ASN 44 18.454 -0.024 6.387 333 HB3 ASN 44 2HB ASN 44 19.670 1.013 7.128 334 HD21 ASN 44 1HD2 ASN 44 18.103 -2.129 7.359 335 HD22 ASN 44 2HD2 ASN 44 19.433 -2.940 8.107 336 H GLY 45 H GLY 45 16.212 2.330 9.406 337 HA2 GLY 45 1HA GLY 45 15.597 4.541 9.158 338 HA3 GLY 45 2HA GLY 45 17.325 4.810 9.331 339 H GLN 46 H GLN 46 14.679 4.476 7.068 340 HA GLN 46 HA GLN 46 16.074 6.135 5.165 341 HB2 GLN 46 1HB GLN 46 15.918 4.581 3.297 342 HB3 GLN 46 2HB GLN 46 16.910 3.898 4.578 343 HG2 GLN 46 1HG GLN 46 14.892 2.625 5.336 344 HG3 GLN 46 2HG GLN 46 14.079 3.181 3.874 345 HE21 GLN 46 1HE2 GLN 46 14.192 0.576 4.133 346 HE22 GLN 46 2HE2 GLN 46 15.386 -0.132 3.106 347 H GLY 47 H GLY 47 14.572 6.118 3.020 348 HA2 GLY 47 1HA GLY 47 11.761 6.179 3.896 349 HA3 GLY 47 2HA GLY 47 12.475 7.606 3.158 350 H LEU 48 H LEU 48 10.354 5.413 2.448 351 HA LEU 48 HA LEU 48 11.313 5.004 -0.308 352 HB2 LEU 48 1HB LEU 48 9.333 3.308 1.203 353 HB3 LEU 48 2HB LEU 48 9.950 3.010 -0.421 354 HG LEU 48 HG LEU 48 11.551 2.888 2.135 355 HD11 LEU 48 1HD1 LEU 48 11.547 0.541 1.887 356 HD12 LEU 48 2HD1 LEU 48 10.828 0.635 0.280 357 HD13 LEU 48 3HD1 LEU 48 9.870 1.053 1.701 358 HD21 LEU 48 1HD2 LEU 48 12.791 1.661 -0.132 359 HD22 LEU 48 2HD2 LEU 48 13.392 2.960 0.900 360 HD23 LEU 48 3HD2 LEU 48 12.402 3.339 -0.510 361 H VAL 49 H VAL 49 10.297 6.255 -1.717 362 HA VAL 49 HA VAL 49 7.595 7.215 -1.099 363 HB VAL 49 HB VAL 49 9.546 8.186 -3.192 364 HG11 VAL 49 1HG1 VAL 49 7.079 8.466 -3.677 365 HG12 VAL 49 2HG1 VAL 49 7.019 9.536 -2.274 366 HG13 VAL 49 3HG1 VAL 49 8.037 9.946 -3.654 367 HG21 VAL 49 1HG2 VAL 49 8.868 10.077 -1.129 368 HG22 VAL 49 2HG2 VAL 49 9.548 8.608 -0.429 369 HG23 VAL 49 3HG2 VAL 49 10.454 9.505 -1.647 370 H PHE 50 H PHE 50 5.889 6.994 -2.533 371 HA PHE 50 HA PHE 50 6.297 5.484 -4.990 372 HB2 PHE 50 1HB PHE 50 4.275 4.546 -2.954 373 HB3 PHE 50 2HB PHE 50 4.732 3.754 -4.458 374 HD1 PHE 50 1HD PHE 50 7.342 3.222 -4.616 375 HD2 PHE 50 2HD PHE 50 5.133 3.700 -1.009 376 HE1 PHE 50 1HE PHE 50 9.036 1.907 -3.409 377 HE2 PHE 50 2HE PHE 50 6.824 2.387 0.204 378 HZ PHE 50 HZ PHE 50 8.778 1.489 -0.996 379 H THR 51 H THR 51 5.349 6.711 -6.469 380 HA THR 51 HA THR 51 3.086 8.394 -5.778 381 HB THR 51 HB THR 51 4.552 8.100 -8.408 382 HG1 THR 51 1HG THR 51 5.906 9.031 -6.890 383 HG21 THR 51 1HG2 THR 51 3.406 10.063 -9.134 384 HG22 THR 51 2HG2 THR 51 2.690 10.307 -7.541 385 HG23 THR 51 3HG2 THR 51 2.183 8.942 -8.536 386 H LEU 52 H LEU 52 1.224 7.269 -5.623 387 HA LEU 52 HA LEU 52 0.307 5.880 -8.034 388 HB2 LEU 52 1HB LEU 52 -0.294 4.741 -5.333 389 HB3 LEU 52 2HB LEU 52 -0.408 3.969 -6.913 390 HG LEU 52 HG LEU 52 2.273 4.763 -5.864 391 HD11 LEU 52 1HD1 LEU 52 2.436 3.110 -4.344 392 HD12 LEU 52 2HD1 LEU 52 1.371 2.030 -5.243 393 HD13 LEU 52 3HD1 LEU 52 0.686 3.311 -4.243 394 HD21 LEU 52 1HD2 LEU 52 1.861 3.898 -8.193 395 HD22 LEU 52 2HD2 LEU 52 1.408 2.360 -7.458 396 HD23 LEU 52 3HD2 LEU 52 3.040 2.994 -7.243 397 HA PRO 53 HA PRO 53 -3.298 8.323 -7.345 398 HB2 PRO 53 1HB PRO 53 -5.017 6.955 -8.940 399 HB3 PRO 53 2HB PRO 53 -3.747 8.007 -9.576 400 HG2 PRO 53 1HG PRO 53 -3.769 5.027 -9.284 401 HG3 PRO 53 2HG PRO 53 -3.194 6.014 -10.640 402 HD2 PRO 53 1HD PRO 53 -1.516 4.935 -8.809 403 HD3 PRO 53 2HD PRO 53 -1.186 6.485 -9.610 404 H LEU 54 H LEU 54 -5.307 8.266 -6.285 405 HA LEU 54 HA LEU 54 -5.645 5.974 -4.519 406 HB2 LEU 54 1HB LEU 54 -7.235 8.521 -4.477 407 HB3 LEU 54 2HB LEU 54 -6.990 7.366 -3.169 408 HG LEU 54 HG LEU 54 -4.455 8.138 -3.525 409 HD11 LEU 54 1HD1 LEU 54 -6.138 10.238 -4.761 410 HD12 LEU 54 2HD1 LEU 54 -4.480 9.755 -5.116 411 HD13 LEU 54 3HD1 LEU 54 -4.822 10.764 -3.711 412 HD21 LEU 54 1HD2 LEU 54 -5.005 9.940 -1.764 413 HD22 LEU 54 2HD2 LEU 54 -5.355 8.253 -1.386 414 HD23 LEU 54 3HD2 LEU 54 -6.657 9.334 -1.884 415 H THR 55 H THR 55 -6.512 4.475 -6.006 416 HA THR 55 HA THR 55 -9.321 5.009 -6.716 417 HB THR 55 HB THR 55 -8.907 3.370 -8.651 418 HG1 THR 55 1HG THR 55 -6.731 3.311 -9.360 419 HG21 THR 55 1HG2 THR 55 -7.610 6.098 -8.720 420 HG22 THR 55 2HG2 THR 55 -9.321 5.759 -8.981 421 HG23 THR 55 3HG2 THR 55 -8.119 5.164 -10.126 422 H ASP 56 H ASP 56 -6.892 2.646 -5.774 423 HA ASP 56 HA ASP 56 -9.008 0.690 -5.212 424 HB2 ASP 56 1HB ASP 56 -6.107 0.490 -5.835 425 HB3 ASP 56 2HB ASP 56 -6.779 -0.715 -4.739 426 H GLN 57 H GLN 57 -8.062 -0.809 -3.246 427 HA GLN 57 HA GLN 57 -8.469 0.782 -0.934 428 HB2 GLN 57 1HB GLN 57 -7.610 -2.090 -1.284 429 HB3 GLN 57 2HB GLN 57 -7.905 -1.357 0.288 430 HG2 GLN 57 1HG GLN 57 -10.175 -1.199 -0.059 431 HG3 GLN 57 2HG GLN 57 -10.016 -1.240 -1.814 432 HE21 GLN 57 1HE2 GLN 57 -11.605 -2.850 0.144 433 HE22 GLN 57 2HE2 GLN 57 -11.236 -4.493 -0.239 434 H VAL 58 H VAL 58 -6.896 0.360 1.022 435 HA VAL 58 HA VAL 58 -4.450 1.679 0.355 436 HB VAL 58 HB VAL 58 -5.292 0.458 2.987 437 HG11 VAL 58 1HG1 VAL 58 -2.854 1.728 2.109 438 HG12 VAL 58 2HG1 VAL 58 -3.607 2.631 3.425 439 HG13 VAL 58 3HG1 VAL 58 -3.216 0.924 3.636 440 HG21 VAL 58 1HG2 VAL 58 -5.386 3.380 2.401 441 HG22 VAL 58 2HG2 VAL 58 -6.698 2.347 1.834 442 HG23 VAL 58 3HG2 VAL 58 -6.324 2.433 3.556 443 H SER 59 H SER 59 -5.400 -1.567 0.447 444 HA SER 59 HA SER 59 -3.092 -2.860 1.356 445 HB2 SER 59 1HB SER 59 -3.902 -4.809 0.069 446 HB3 SER 59 2HB SER 59 -5.199 -4.050 0.992 447 HG SER 59 HG SER 59 -6.111 -3.357 -0.819 448 H VAL 60 H VAL 60 -4.028 -1.921 -1.945 449 HA VAL 60 HA VAL 60 -1.939 -2.918 -3.398 450 HB VAL 60 HB VAL 60 -2.232 -1.042 -4.963 451 HG11 VAL 60 1HG1 VAL 60 -3.905 -3.007 -4.616 452 HG12 VAL 60 2HG1 VAL 60 -4.979 -1.740 -4.020 453 HG13 VAL 60 3HG1 VAL 60 -4.343 -1.658 -5.663 454 HG21 VAL 60 1HG2 VAL 60 -4.382 0.373 -3.882 455 HG22 VAL 60 2HG2 VAL 60 -3.190 0.277 -2.586 456 HG23 VAL 60 3HG2 VAL 60 -2.742 0.964 -4.147 457 H ILE 61 H ILE 61 -1.808 -0.484 -0.988 458 HA ILE 61 HA ILE 61 0.727 0.605 -1.894 459 HB ILE 61 HB ILE 61 -0.967 1.168 0.535 460 HG12 ILE 61 1HG1 ILE 61 -0.756 3.512 -0.732 461 HG13 ILE 61 2HG1 ILE 61 -0.515 2.449 -2.115 462 HG21 ILE 61 1HG2 ILE 61 1.846 1.720 0.063 463 HG22 ILE 61 2HG2 ILE 61 0.910 3.181 0.377 464 HG23 ILE 61 3HG2 ILE 61 0.898 1.859 1.544 465 HD11 ILE 61 1HD1 ILE 61 -2.936 3.036 -0.587 466 HD12 ILE 61 2HD1 ILE 61 -2.741 2.511 -2.260 467 HD13 ILE 61 3HD1 ILE 61 -2.695 1.328 -0.953 468 H LYS 62 H LYS 62 -0.501 -1.400 0.755 469 HA LYS 62 HA LYS 62 1.951 -1.691 2.117 470 HB2 LYS 62 1HB LYS 62 -0.393 -3.600 2.042 471 HB3 LYS 62 2HB LYS 62 0.886 -3.582 3.249 472 HG2 LYS 62 1HG LYS 62 0.107 -1.129 3.640 473 HG3 LYS 62 2HG LYS 62 -1.377 -1.679 2.858 474 HD2 LYS 62 1HD LYS 62 -1.852 -3.200 4.547 475 HD3 LYS 62 2HD LYS 62 -0.177 -3.260 5.099 476 HE2 LYS 62 1HE LYS 62 -1.063 -1.966 6.752 477 HE3 LYS 62 2HE LYS 62 -0.639 -0.701 5.599 478 HZ1 LYS 62 1HZ LYS 62 -3.210 -1.678 5.005 479 HZ2 LYS 62 2HZ LYS 62 -2.756 -0.119 5.478 480 HZ3 LYS 62 3HZ LYS 62 -3.149 -1.276 6.647 481 H VAL 63 H VAL 63 0.526 -3.381 -0.597 482 HA VAL 63 HA VAL 63 2.176 -5.654 -0.614 483 HB VAL 63 HB VAL 63 0.095 -5.327 -1.990 484 HG11 VAL 63 1HG1 VAL 63 1.028 -4.373 -4.378 485 HG12 VAL 63 2HG1 VAL 63 0.058 -3.457 -3.222 486 HG13 VAL 63 3HG1 VAL 63 1.816 -3.308 -3.214 487 HG21 VAL 63 1HG2 VAL 63 0.928 -6.636 -3.898 488 HG22 VAL 63 2HG2 VAL 63 2.583 -6.245 -3.430 489 HG23 VAL 63 3HG2 VAL 63 1.572 -7.220 -2.363 490 H LYS 64 H LYS 64 2.748 -2.375 -1.584 491 HA LYS 64 HA LYS 64 4.967 -2.860 -3.293 492 HB2 LYS 64 1HB LYS 64 4.283 -0.371 -1.718 493 HB3 LYS 64 2HB LYS 64 5.412 -0.463 -3.063 494 HG2 LYS 64 1HG LYS 64 2.517 -1.198 -3.352 495 HG3 LYS 64 2HG LYS 64 3.103 0.455 -3.556 496 HD2 LYS 64 1HD LYS 64 4.202 -0.030 -5.501 497 HD3 LYS 64 2HD LYS 64 4.498 -1.709 -5.042 498 HE2 LYS 64 1HE LYS 64 2.905 -2.039 -6.637 499 HE3 LYS 64 2HE LYS 64 1.860 -1.839 -5.232 500 HZ1 LYS 64 1HZ LYS 64 0.888 -0.188 -6.317 501 HZ2 LYS 64 2HZ LYS 64 2.018 -0.255 -7.573 502 HZ3 LYS 64 3HZ LYS 64 2.323 0.701 -6.211 503 H ILE 65 H ILE 65 4.704 -1.920 0.125 504 HA ILE 65 HA ILE 65 7.387 -1.655 0.733 505 HB ILE 65 HB ILE 65 5.263 -2.831 2.530 506 HG12 ILE 65 1HG1 ILE 65 6.155 0.048 2.335 507 HG13 ILE 65 2HG1 ILE 65 4.751 -0.583 1.482 508 HG21 ILE 65 1HG2 ILE 65 8.063 -2.319 2.912 509 HG22 ILE 65 2HG2 ILE 65 7.103 -1.310 3.994 510 HG23 ILE 65 3HG2 ILE 65 6.902 -3.062 4.011 511 HD11 ILE 65 1HD1 ILE 65 4.093 -1.388 3.909 512 HD12 ILE 65 2HD1 ILE 65 5.137 -0.041 4.366 513 HD13 ILE 65 3HD1 ILE 65 3.736 0.241 3.333 514 H HIS 66 H HIS 66 5.459 -4.576 1.435 515 HA HIS 66 HA HIS 66 7.434 -6.297 2.156 516 HB2 HIS 66 1HB HIS 66 5.074 -6.921 2.171 517 HB3 HIS 66 2HB HIS 66 5.047 -6.939 0.411 518 HD1 HIS 66 1HD HIS 66 6.091 -8.975 -0.771 519 HD2 HIS 66 2HD HIS 66 6.278 -9.153 3.375 520 HE1 HIS 66 1HE HIS 66 6.745 -11.341 -0.229 521 HE2 HIS 66 2HE HIS 66 6.769 -11.448 2.287 522 H GLU 67 H GLU 67 6.817 -5.048 -1.021 523 HA GLU 67 HA GLU 67 8.192 -6.962 -2.552 524 HB2 GLU 67 1HB GLU 67 6.713 -4.825 -3.185 525 HB3 GLU 67 2HB GLU 67 8.307 -4.110 -3.381 526 HG2 GLU 67 1HG GLU 67 7.088 -6.405 -4.868 527 HG3 GLU 67 2HG GLU 67 7.730 -4.891 -5.502 528 H ALA 68 H ALA 68 9.331 -3.746 -1.502 529 HA ALA 68 HA ALA 68 12.051 -4.344 -2.159 530 HB1 ALA 68 1HB ALA 68 10.594 -2.035 -1.687 531 HB2 ALA 68 2HB ALA 68 11.723 -2.119 -0.334 532 HB3 ALA 68 3HB ALA 68 12.328 -2.142 -1.991 533 H THR 69 H THR 69 10.300 -3.895 0.910 534 HA THR 69 HA THR 69 12.586 -5.019 2.355 535 HB THR 69 HB THR 69 11.506 -4.250 4.390 536 HG1 THR 69 1HG THR 69 9.324 -4.564 3.761 537 HG21 THR 69 1HG2 THR 69 12.172 -2.118 4.111 538 HG22 THR 69 2HG2 THR 69 11.048 -1.841 2.780 539 HG23 THR 69 3HG2 THR 69 12.595 -2.634 2.479 540 H GLY 70 H GLY 70 12.281 -6.705 3.921 541 HA2 GLY 70 1HA GLY 70 10.449 -8.736 2.973 542 HA3 GLY 70 2HA GLY 70 11.674 -8.931 4.217 543 H MET 71 H MET 71 9.245 -6.399 4.240 544 HA MET 71 HA MET 71 8.230 -7.479 6.760 545 HB2 MET 71 1HB MET 71 8.984 -4.997 6.276 546 HB3 MET 71 2HB MET 71 7.349 -4.850 5.645 547 HG2 MET 71 1HG MET 71 6.377 -5.190 7.710 548 HG3 MET 71 2HG MET 71 7.799 -6.003 8.359 549 HE1 MET 71 1HE MET 71 6.362 -3.154 10.110 550 HE2 MET 71 2HE MET 71 7.045 -4.767 10.319 551 HE3 MET 71 3HE MET 71 7.963 -3.348 10.825 552 HA PRO 72 HA PRO 72 4.566 -9.001 4.822 553 HB2 PRO 72 1HB PRO 72 3.056 -9.293 7.059 554 HB3 PRO 72 2HB PRO 72 4.376 -10.392 6.640 555 HG2 PRO 72 1HG PRO 72 4.360 -8.096 8.561 556 HG3 PRO 72 2HG PRO 72 5.072 -9.709 8.751 557 HD2 PRO 72 1HD PRO 72 6.547 -7.535 8.097 558 HD3 PRO 72 2HD PRO 72 6.944 -9.167 7.522 559 H ALA 73 H ALA 73 2.426 -8.371 4.340 560 HA ALA 73 HA ALA 73 1.959 -5.527 4.602 561 HB1 ALA 73 1HB ALA 73 0.199 -5.830 3.006 562 HB2 ALA 73 2HB ALA 73 1.601 -6.754 2.466 563 HB3 ALA 73 3HB ALA 73 0.239 -7.580 3.222 564 H GLY 74 H GLY 74 1.840 -6.666 7.091 565 HA2 GLY 74 1HA GLY 74 -0.957 -6.169 7.780 566 HA3 GLY 74 2HA GLY 74 -0.279 -7.716 8.266 567 H LYS 75 H LYS 75 1.998 -7.391 9.361 568 HA LYS 75 HA LYS 75 1.583 -6.219 11.833 569 HB2 LYS 75 1HB LYS 75 4.026 -7.099 10.349 570 HB3 LYS 75 2HB LYS 75 4.218 -6.218 11.859 571 HG2 LYS 75 1HG LYS 75 2.954 -7.896 13.046 572 HG3 LYS 75 2HG LYS 75 2.623 -8.752 11.539 573 HD2 LYS 75 1HD LYS 75 4.858 -9.421 11.298 574 HD3 LYS 75 2HD LYS 75 5.431 -8.228 12.466 575 HE2 LYS 75 1HE LYS 75 5.522 -10.229 13.650 576 HE3 LYS 75 2HE LYS 75 3.992 -9.520 14.166 577 HZ1 LYS 75 1HZ LYS 75 4.368 -12.025 13.107 578 HZ2 LYS 75 2HZ LYS 75 3.654 -11.141 11.853 579 HZ3 LYS 75 3HZ LYS 75 2.886 -11.247 13.357 580 H GLN 76 H GLN 76 3.236 -4.886 8.996 581 HA GLN 76 HA GLN 76 4.070 -2.481 10.206 582 HB2 GLN 76 1HB GLN 76 4.303 -1.650 7.873 583 HB3 GLN 76 2HB GLN 76 5.079 -3.204 8.143 584 HG2 GLN 76 1HG GLN 76 2.960 -4.249 7.211 585 HG3 GLN 76 2HG GLN 76 2.530 -2.626 6.674 586 HE21 GLN 76 1HE2 GLN 76 2.575 -3.715 4.560 587 HE22 GLN 76 2HE2 GLN 76 4.082 -3.812 3.721 588 H LYS 77 H LYS 77 2.652 -1.192 11.208 589 HA LYS 77 HA LYS 77 0.003 -0.754 10.093 590 HB2 LYS 77 1HB LYS 77 0.729 -1.017 12.626 591 HB3 LYS 77 2HB LYS 77 0.999 0.716 12.493 592 HG2 LYS 77 1HG LYS 77 -1.251 1.160 12.095 593 HG3 LYS 77 2HG LYS 77 -1.598 -0.512 11.647 594 HD2 LYS 77 1HD LYS 77 -2.515 -0.183 13.811 595 HD3 LYS 77 2HD LYS 77 -1.048 -1.141 14.027 596 HE2 LYS 77 1HE LYS 77 -0.837 1.821 14.192 597 HE3 LYS 77 2HE LYS 77 -1.575 0.962 15.543 598 HZ1 LYS 77 1HZ LYS 77 1.115 0.390 14.421 599 HZ2 LYS 77 2HZ LYS 77 0.410 -0.373 15.756 600 HZ3 LYS 77 3HZ LYS 77 0.817 1.268 15.837 601 H LEU 78 H LEU 78 -0.166 0.682 8.500 602 HA LEU 78 HA LEU 78 1.675 2.885 8.238 603 HB2 LEU 78 1HB LEU 78 -0.766 2.100 6.657 604 HB3 LEU 78 2HB LEU 78 0.290 3.450 6.248 605 HG LEU 78 HG LEU 78 0.908 0.508 6.145 606 HD11 LEU 78 1HD1 LEU 78 0.749 2.736 4.140 607 HD12 LEU 78 2HD1 LEU 78 -0.128 1.207 4.161 608 HD13 LEU 78 3HD1 LEU 78 1.599 1.227 3.803 609 HD21 LEU 78 1HD2 LEU 78 2.873 1.351 7.081 610 HD22 LEU 78 2HD2 LEU 78 2.768 2.862 6.176 611 HD23 LEU 78 3HD2 LEU 78 3.190 1.363 5.346 612 H GLN 79 H GLN 79 1.453 4.706 9.341 613 HA GLN 79 HA GLN 79 -1.233 5.540 10.187 614 HB2 GLN 79 1HB GLN 79 0.795 5.210 11.808 615 HB3 GLN 79 2HB GLN 79 1.290 6.788 11.212 616 HG2 GLN 79 1HG GLN 79 -0.731 7.792 12.003 617 HG3 GLN 79 2HG GLN 79 -1.397 6.218 12.436 618 HE21 GLN 79 1HE2 GLN 79 -1.485 7.922 14.387 619 HE22 GLN 79 2HE2 GLN 79 -0.243 7.665 15.560 620 H TYR 80 H TYR 80 -2.041 7.545 9.701 621 HA TYR 80 HA TYR 80 -0.399 9.459 8.259 622 HB2 TYR 80 1HB TYR 80 -1.081 8.361 6.333 623 HB3 TYR 80 2HB TYR 80 -2.639 7.909 7.017 624 HD1 TYR 80 1HD TYR 80 -0.718 10.919 5.929 625 HD2 TYR 80 2HD TYR 80 -4.533 9.094 6.396 626 HE1 TYR 80 1HE TYR 80 -1.764 12.830 4.788 627 HE2 TYR 80 2HE TYR 80 -5.590 11.000 5.255 628 HH TYR 80 HH TYR 80 -5.085 13.398 4.826 629 H GLU 81 H GLU 81 -0.792 11.335 9.209 630 HA GLU 81 HA GLU 81 -1.840 13.054 10.268 631 HB2 GLU 81 1HB GLU 81 -4.188 11.944 8.725 632 HB3 GLU 81 2HB GLU 81 -4.238 13.454 9.625 633 HG2 GLU 81 1HG GLU 81 -2.197 12.966 7.488 634 HG3 GLU 81 2HG GLU 81 -3.810 13.570 7.115 635 H GLY 82 H GLY 82 -1.437 10.887 11.871 636 HA2 GLY 82 1HA GLY 82 -2.075 10.009 13.894 637 HA3 GLY 82 2HA GLY 82 -3.228 11.331 13.987 638 H ILE 83 H ILE 83 -3.302 9.019 11.378 639 HA ILE 83 HA ILE 83 -5.723 7.826 12.563 640 HB ILE 83 HB ILE 83 -5.224 8.416 9.643 641 HG12 ILE 83 1HG1 ILE 83 -7.353 9.570 11.446 642 HG13 ILE 83 2HG1 ILE 83 -5.803 10.360 11.177 643 HG21 ILE 83 1HG2 ILE 83 -7.656 7.229 10.972 644 HG22 ILE 83 2HG2 ILE 83 -7.461 7.573 9.254 645 HG23 ILE 83 3HG2 ILE 83 -6.474 6.329 10.022 646 HD11 ILE 83 1HD1 ILE 83 -7.607 11.259 9.772 647 HD12 ILE 83 2HD1 ILE 83 -6.281 10.580 8.828 648 HD13 ILE 83 3HD1 ILE 83 -7.782 9.675 9.017 649 H PHE 84 H PHE 84 -6.129 5.633 12.118 650 HA PHE 84 HA PHE 84 -3.719 4.124 11.391 651 HB2 PHE 84 1HB PHE 84 -6.158 3.381 13.008 652 HB3 PHE 84 2HB PHE 84 -4.952 2.203 12.501 653 HD1 PHE 84 2HD PHE 84 -2.425 3.312 12.956 654 HD2 PHE 84 1HD PHE 84 -5.977 3.900 15.225 655 HE1 PHE 84 2HE PHE 84 -1.067 3.851 14.935 656 HE2 PHE 84 1HE PHE 84 -4.625 4.441 17.209 657 HZ PHE 84 HZ PHE 84 -2.166 4.415 17.066 658 H ILE 85 H ILE 85 -4.120 4.461 9.112 659 HA ILE 85 HA ILE 85 -6.477 3.529 7.838 660 HB ILE 85 HB ILE 85 -5.139 3.628 5.747 661 HG12 ILE 85 1HG1 ILE 85 -2.886 4.643 7.479 662 HG13 ILE 85 2HG1 ILE 85 -2.981 2.972 6.936 663 HG21 ILE 85 1HG2 ILE 85 -6.040 5.674 5.947 664 HG22 ILE 85 2HG2 ILE 85 -5.545 5.837 7.631 665 HG23 ILE 85 3HG2 ILE 85 -4.394 6.173 6.338 666 HD11 ILE 85 1HD1 ILE 85 -1.776 3.687 5.204 667 HD12 ILE 85 2HD1 ILE 85 -3.301 4.339 4.603 668 HD13 ILE 85 3HD1 ILE 85 -2.187 5.378 5.492 669 H LYS 86 H LYS 86 -7.016 1.576 7.035 670 HA LYS 86 HA LYS 86 -5.062 -0.606 7.365 671 HB2 LYS 86 1HB LYS 86 -7.971 -0.433 7.996 672 HB3 LYS 86 2HB LYS 86 -7.336 -1.977 7.442 673 HG2 LYS 86 1HG LYS 86 -5.894 -2.167 9.286 674 HG3 LYS 86 2HG LYS 86 -6.097 -0.469 9.722 675 HD2 LYS 86 1HD LYS 86 -8.420 -2.370 9.718 676 HD3 LYS 86 2HD LYS 86 -7.344 -2.239 11.111 677 HE2 LYS 86 1HE LYS 86 -8.687 0.149 9.869 678 HE3 LYS 86 2HE LYS 86 -9.445 -0.808 11.141 679 HZ1 LYS 86 1HZ LYS 86 -8.402 0.717 12.420 680 HZ2 LYS 86 2HZ LYS 86 -7.178 1.018 11.292 681 HZ3 LYS 86 3HZ LYS 86 -7.107 -0.362 12.268 682 H ASP 87 H ASP 87 -5.575 -2.531 5.941 683 HA ASP 87 HA ASP 87 -5.592 -1.684 3.230 684 HB2 ASP 87 1HB ASP 87 -5.817 -4.296 2.908 685 HB3 ASP 87 2HB ASP 87 -4.314 -3.583 3.489 686 H SER 88 H SER 88 -8.001 -3.059 5.373 687 HA SER 88 HA SER 88 -9.912 -3.747 3.415 688 HB2 SER 88 1HB SER 88 -11.464 -3.971 5.222 689 HB3 SER 88 2HB SER 88 -9.895 -4.488 5.837 690 HG SER 88 HG SER 88 -9.678 -2.491 6.852 691 H ASN 89 H ASN 89 -9.152 -0.748 5.050 692 HA ASN 89 HA ASN 89 -11.514 0.622 4.156 693 HB2 ASN 89 1HB ASN 89 -8.943 1.582 5.420 694 HB3 ASN 89 2HB ASN 89 -10.262 2.664 4.980 695 HD21 ASN 89 1HD2 ASN 89 -9.758 -0.391 6.716 696 HD22 ASN 89 2HD2 ASN 89 -10.820 -0.017 8.026 697 H SER 90 H SER 90 -11.484 2.486 2.729 698 HA SER 90 HA SER 90 -9.758 2.002 0.424 699 HB2 SER 90 1HB SER 90 -12.250 2.189 0.159 700 HB3 SER 90 2HB SER 90 -12.118 3.883 0.632 701 HG SER 90 HG SER 90 -10.650 2.779 -1.521 702 H LEU 91 H LEU 91 -9.044 3.997 -0.806 703 HA LEU 91 HA LEU 91 -7.573 5.691 1.023 704 HB2 LEU 91 1HB LEU 91 -7.564 5.348 -1.961 705 HB3 LEU 91 2HB LEU 91 -6.641 6.618 -1.160 706 HG LEU 91 HG LEU 91 -6.271 3.711 -0.486 707 HD11 LEU 91 1HD1 LEU 91 -5.881 3.918 -2.866 708 HD12 LEU 91 2HD1 LEU 91 -4.348 3.727 -2.018 709 HD13 LEU 91 3HD1 LEU 91 -4.841 5.317 -2.600 710 HD21 LEU 91 1HD2 LEU 91 -5.346 5.151 1.151 711 HD22 LEU 91 2HD2 LEU 91 -4.667 6.224 -0.073 712 HD23 LEU 91 3HD2 LEU 91 -4.000 4.606 0.149 713 H ALA 92 H ALA 92 -9.567 6.350 -1.865 714 HA ALA 92 HA ALA 92 -9.865 9.033 -1.706 715 HB1 ALA 92 1HB ALA 92 -10.877 7.828 -3.497 716 HB2 ALA 92 2HB ALA 92 -11.971 6.993 -2.393 717 HB3 ALA 92 3HB ALA 92 -12.152 8.725 -2.672 718 H TYR 93 H TYR 93 -11.546 6.645 0.274 719 HA TYR 93 HA TYR 93 -13.401 8.316 1.511 720 HB2 TYR 93 1HB TYR 93 -13.509 5.899 1.737 721 HB3 TYR 93 2HB TYR 93 -11.982 5.882 2.611 722 HD1 TYR 93 1HD TYR 93 -11.907 7.184 4.844 723 HD2 TYR 93 2HD TYR 93 -15.518 6.038 2.908 724 HE1 TYR 93 1HE TYR 93 -13.117 7.422 6.972 725 HE2 TYR 93 2HE TYR 93 -16.738 6.274 5.030 726 HH TYR 93 HH TYR 93 -16.555 6.607 7.232 727 H TYR 94 H TYR 94 -10.026 7.660 2.305 728 HA TYR 94 HA TYR 94 -10.036 9.151 4.736 729 HB2 TYR 94 1HB TYR 94 -7.811 8.136 2.968 730 HB3 TYR 94 2HB TYR 94 -7.515 9.018 4.462 731 HD1 TYR 94 2HD TYR 94 -9.289 7.975 6.401 732 HD2 TYR 94 1HD TYR 94 -7.370 5.892 3.226 733 HE1 TYR 94 2HE TYR 94 -9.466 5.879 7.676 734 HE2 TYR 94 1HE TYR 94 -7.543 3.790 4.491 735 HH TYR 94 HH TYR 94 -9.415 3.547 7.401 736 H ASN 95 H ASN 95 -9.307 9.882 1.380 737 HA ASN 95 HA ASN 95 -9.183 11.885 0.290 738 HB2 ASN 95 1HB ASN 95 -9.482 13.433 2.834 739 HB3 ASN 95 2HB ASN 95 -10.096 13.801 1.225 740 HD21 ASN 95 1HD2 ASN 95 -11.934 12.661 0.465 741 HD22 ASN 95 2HD2 ASN 95 -13.057 11.961 1.575 742 H MET 96 H MET 96 -6.874 10.667 0.834 743 HA MET 96 HA MET 96 -5.019 12.232 2.317 744 HB2 MET 96 1HB MET 96 -4.568 10.141 0.181 745 HB3 MET 96 2HB MET 96 -3.303 10.828 1.190 746 HG2 MET 96 1HG MET 96 -4.386 9.926 3.178 747 HG3 MET 96 2HG MET 96 -5.668 9.251 2.176 748 HE1 MET 96 1HE MET 96 -3.700 7.017 4.125 749 HE2 MET 96 2HE MET 96 -5.322 7.284 3.484 750 HE3 MET 96 3HE MET 96 -4.347 5.940 2.887 751 H ALA 97 H ALA 97 -3.681 13.847 1.695 752 HA ALA 97 HA ALA 97 -4.170 15.021 -0.935 753 HB1 ALA 97 1HB ALA 97 -3.377 16.039 1.695 754 HB2 ALA 97 2HB ALA 97 -2.529 16.779 0.337 755 HB3 ALA 97 3HB ALA 97 -4.291 16.816 0.403 756 H SER 98 H SER 98 -2.495 15.612 -2.352 757 HA SER 98 HA SER 98 -0.542 13.772 -2.872 758 HB2 SER 98 1HB SER 98 0.512 15.441 -4.308 759 HB3 SER 98 2HB SER 98 -1.243 15.558 -4.441 760 HG SER 98 HG SER 98 -0.212 17.138 -2.466 761 H GLY 99 H GLY 99 1.917 14.380 -2.972 762 HA2 GLY 99 1HA GLY 99 3.809 14.315 -1.639 763 HA3 GLY 99 2HA GLY 99 3.290 15.949 -1.255 764 H ALA 100 H ALA 100 1.574 13.003 -0.377 765 HA ALA 100 HA ALA 100 1.456 13.812 2.368 766 HB1 ALA 100 1HB ALA 100 -0.307 12.465 2.405 767 HB2 ALA 100 2HB ALA 100 0.002 12.086 0.710 768 HB3 ALA 100 3HB ALA 100 0.688 11.072 1.980 769 H VAL 101 H VAL 101 1.870 11.944 4.048 770 HA VAL 101 HA VAL 101 4.372 10.541 3.483 771 HB VAL 101 HB VAL 101 4.996 12.740 4.456 772 HG11 VAL 101 1HG1 VAL 101 4.009 11.930 7.125 773 HG12 VAL 101 2HG1 VAL 101 4.206 13.538 6.426 774 HG13 VAL 101 3HG1 VAL 101 2.813 12.549 5.986 775 HG21 VAL 101 1HG2 VAL 101 5.553 10.427 6.309 776 HG22 VAL 101 2HG2 VAL 101 6.369 10.695 4.769 777 HG23 VAL 101 3HG2 VAL 101 6.548 11.865 6.075 778 H ILE 102 H ILE 102 3.972 8.496 3.988 779 HA ILE 102 HA ILE 102 2.055 7.866 6.100 780 HB ILE 102 HB ILE 102 3.412 6.052 4.103 781 HG12 ILE 102 1HG1 ILE 102 1.749 7.713 3.193 782 HG13 ILE 102 2HG1 ILE 102 1.330 6.025 2.919 783 HG21 ILE 102 1HG2 ILE 102 2.741 5.035 6.321 784 HG22 ILE 102 2HG2 ILE 102 1.074 5.383 5.869 785 HG23 ILE 102 3HG2 ILE 102 2.045 4.292 4.881 786 HD11 ILE 102 1HD1 ILE 102 0.239 7.203 5.376 787 HD12 ILE 102 2HD1 ILE 102 -0.374 7.879 3.866 788 HD13 ILE 102 3HD1 ILE 102 -0.517 6.149 4.181 789 H HIS 103 H HIS 103 2.886 7.783 8.085 790 HA HIS 103 HA HIS 103 5.635 7.083 8.568 791 HB2 HIS 103 1HB HIS 103 3.355 7.603 10.487 792 HB3 HIS 103 2HB HIS 103 5.040 7.395 10.956 793 HD1 HIS 103 1HD HIS 103 6.317 9.498 11.182 794 HD2 HIS 103 2HD HIS 103 3.065 9.934 8.634 795 HE1 HIS 103 1HE HIS 103 6.283 11.930 10.546 796 HE2 HIS 103 2HE HIS 103 4.257 12.187 9.072 797 H LEU 104 H LEU 104 6.422 5.120 8.934 798 HA LEU 104 HA LEU 104 4.604 2.868 9.123 799 HB2 LEU 104 1HB LEU 104 6.463 2.661 7.619 800 HB3 LEU 104 2HB LEU 104 7.603 3.056 8.904 801 HG LEU 104 HG LEU 104 6.998 0.927 10.027 802 HD11 LEU 104 1HD1 LEU 104 5.627 -0.682 9.034 803 HD12 LEU 104 2HD1 LEU 104 5.624 0.147 7.477 804 HD13 LEU 104 3HD1 LEU 104 4.736 0.828 8.840 805 HD21 LEU 104 1HD2 LEU 104 8.724 0.018 8.964 806 HD22 LEU 104 2HD2 LEU 104 8.640 1.353 7.815 807 HD23 LEU 104 3HD2 LEU 104 7.792 -0.156 7.476 808 H ALA 105 H ALA 105 4.371 1.514 10.850 809 HA ALA 105 HA ALA 105 5.958 2.039 13.258 810 HB1 ALA 105 1HB ALA 105 3.881 3.362 13.427 811 HB2 ALA 105 2HB ALA 105 2.947 1.874 13.277 812 HB3 ALA 105 3HB ALA 105 4.001 2.117 14.670 813 H LEU 106 H LEU 106 5.442 0.337 14.981 814 HA LEU 106 HA LEU 106 5.279 -2.274 13.641 815 HB2 LEU 106 1HB LEU 106 7.345 -2.143 14.697 816 HB3 LEU 106 2HB LEU 106 6.683 -1.303 16.098 817 HG LEU 106 HG LEU 106 5.563 -3.435 16.756 818 HD11 LEU 106 1HD1 LEU 106 6.932 -4.346 14.281 819 HD12 LEU 106 2HD1 LEU 106 5.359 -4.797 14.938 820 HD13 LEU 106 3HD1 LEU 106 6.833 -5.461 15.644 821 HD21 LEU 106 1HD2 LEU 106 8.419 -4.144 16.586 822 HD22 LEU 106 2HD2 LEU 106 7.356 -4.030 17.989 823 HD23 LEU 106 3HD2 LEU 106 8.055 -2.568 17.290 824 H LYS 107 H LYS 107 3.661 -3.629 14.079 825 HA LYS 107 HA LYS 107 1.511 -2.796 15.771 826 HB2 LYS 107 1HB LYS 107 1.125 -4.034 13.680 827 HB3 LYS 107 2HB LYS 107 1.960 -5.429 14.352 828 HG2 LYS 107 1HG LYS 107 0.232 -5.538 16.129 829 HG3 LYS 107 2HG LYS 107 -0.634 -4.238 15.308 830 HD2 LYS 107 1HD LYS 107 -1.064 -5.581 13.419 831 HD3 LYS 107 2HD LYS 107 0.121 -6.792 13.912 832 HE2 LYS 107 1HE LYS 107 -1.292 -7.338 15.857 833 HE3 LYS 107 2HE LYS 107 -2.487 -6.170 15.296 834 HZ1 LYS 107 1HZ LYS 107 -3.262 -8.186 14.496 835 HZ2 LYS 107 2HZ LYS 107 -1.721 -8.749 14.085 836 HZ3 LYS 107 3HZ LYS 107 -2.456 -7.543 13.154 837 H GLU 108 H GLU 108 1.399 -3.073 17.892 838 HA GLU 108 HA GLU 108 3.217 -4.294 19.517 839 HB2 GLU 108 1HB GLU 108 0.247 -3.949 19.937 840 HB3 GLU 108 2HB GLU 108 1.345 -4.480 21.203 841 HG2 GLU 108 1HG GLU 108 1.822 -1.926 19.720 842 HG3 GLU 108 2HG GLU 108 0.707 -1.999 21.083 843 H ARG 109 H ARG 109 3.455 -6.291 20.509 844 HA ARG 109 HA ARG 109 2.235 -8.517 19.055 845 HB2 ARG 109 1HB ARG 109 4.013 -9.886 20.040 846 HB3 ARG 109 2HB ARG 109 4.675 -8.492 19.196 847 HG2 ARG 109 1HG ARG 109 4.798 -7.346 21.440 848 HG3 ARG 109 2HG ARG 109 4.429 -8.915 22.159 849 HD2 ARG 109 1HD ARG 109 6.413 -9.879 21.239 850 HD3 ARG 109 2HD ARG 109 6.728 -8.439 20.273 851 HE ARG 109 HE ARG 109 6.643 -7.764 23.012 852 HH11 ARG 109 2HH1 ARG 109 8.639 -9.392 20.670 853 HH12 ARG 109 1HH1 ARG 109 10.119 -9.064 21.509 854 HH21 ARG 109 2HH2 ARG 109 8.584 -7.326 24.126 855 HH22 ARG 109 1HH2 ARG 109 10.086 -7.889 23.476 856 H SER 110 H SER 110 0.525 -9.483 19.904 857 HA SER 110 HA SER 110 0.011 -9.245 22.773 858 HB2 SER 110 1HB SER 110 -1.669 -9.784 20.367 859 HB3 SER 110 2HB SER 110 -2.206 -10.443 21.912 860 HG SER 110 HG SER 110 -1.965 -7.784 21.088 861 H GLY 111 H GLY 111 0.292 -10.879 24.148 862 HA2 GLY 111 1HA GLY 111 1.438 -13.337 23.279 863 HA3 GLY 111 2HA GLY 111 0.947 -12.945 24.920 864 HA PRO 112 HA PRO 112 -2.131 -15.794 22.534 865 HB2 PRO 112 1HB PRO 112 -1.061 -18.250 22.973 866 HB3 PRO 112 2HB PRO 112 -0.707 -17.292 21.531 867 HG2 PRO 112 1HG PRO 112 0.912 -17.627 24.027 868 HG3 PRO 112 2HG PRO 112 1.449 -17.623 22.337 869 HD2 PRO 112 1HD PRO 112 1.701 -15.463 23.951 870 HD3 PRO 112 2HD PRO 112 1.424 -15.322 22.203 871 H SER 113 H SER 113 -0.415 -15.894 25.553 872 HA SER 113 HA SER 113 -1.813 -17.712 27.054 873 HB2 SER 113 1HB SER 113 -1.194 -16.430 29.009 874 HB3 SER 113 2HB SER 113 0.127 -16.340 27.843 875 HG SER 113 HG SER 113 -1.375 -14.350 28.889 876 H SER 114 H SER 114 -3.834 -17.924 27.764 877 HA SER 114 HA SER 114 -5.896 -16.218 26.884 878 HB2 SER 114 1HB SER 114 -5.992 -18.285 29.096 879 HB3 SER 114 2HB SER 114 -7.381 -17.604 28.250 880 HG SER 114 HG SER 114 -6.877 -18.727 26.474 881 H GLY 115 H GLY 115 -4.562 -16.743 30.150 882 HA2 GLY 115 1HA GLY 115 -5.959 -14.331 31.065 883 HA3 GLY 115 2HA GLY 115 -5.211 -15.543 32.095 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -10.005 31.920 -1.297 2 HA2 GLY 1 1HA GLY 1 -9.674 32.205 1.153 3 HA3 GLY 1 2HA GLY 1 -11.376 32.237 0.717 4 H SER 2 H SER 2 -9.398 31.099 2.966 5 HA SER 2 HA SER 2 -11.240 29.146 3.903 6 HB2 SER 2 1HB SER 2 -9.928 27.153 3.729 7 HB3 SER 2 2HB SER 2 -9.978 27.868 2.118 8 HG SER 2 HG SER 2 -7.905 28.835 2.669 9 H SER 3 H SER 3 -10.564 28.203 5.975 10 HA SER 3 HA SER 3 -8.215 29.063 7.306 11 HB2 SER 3 1HB SER 3 -10.685 30.714 7.608 12 HB3 SER 3 2HB SER 3 -9.685 30.440 9.034 13 HG SER 3 HG SER 3 -9.110 31.848 6.690 14 H GLY 4 H GLY 4 -8.242 28.477 9.633 15 HA2 GLY 4 1HA GLY 4 -8.847 27.122 11.406 16 HA3 GLY 4 2HA GLY 4 -10.403 26.867 10.629 17 H SER 5 H SER 5 -7.111 25.742 10.916 18 HA SER 5 HA SER 5 -7.099 23.738 8.982 19 HB2 SER 5 1HB SER 5 -5.730 23.760 11.683 20 HB3 SER 5 2HB SER 5 -5.333 22.673 10.352 21 HG SER 5 HG SER 5 -5.297 25.479 10.036 22 H SER 6 H SER 6 -8.059 21.816 8.801 23 HA SER 6 HA SER 6 -10.101 21.036 10.602 24 HB2 SER 6 1HB SER 6 -10.503 19.216 9.130 25 HB3 SER 6 2HB SER 6 -9.963 20.541 8.099 26 HG SER 6 HG SER 6 -7.917 19.596 8.031 27 H GLY 7 H GLY 7 -10.232 19.230 11.970 28 HA2 GLY 7 1HA GLY 7 -7.912 17.587 12.458 29 HA3 GLY 7 2HA GLY 7 -8.221 18.757 13.733 30 H THR 8 H THR 8 -10.544 16.935 11.772 31 HA THR 8 HA THR 8 -11.246 15.277 14.060 32 HB THR 8 HB THR 8 -13.758 15.945 13.352 33 HG1 THR 8 1HG THR 8 -12.104 18.069 12.615 34 HG21 THR 8 1HG2 THR 8 -13.884 16.590 15.496 35 HG22 THR 8 2HG2 THR 8 -12.698 17.875 15.268 36 HG23 THR 8 3HG2 THR 8 -12.162 16.224 15.577 37 H GLU 9 H GLU 9 -11.688 13.272 13.413 38 HA GLU 9 HA GLU 9 -12.103 12.789 10.559 39 HB2 GLU 9 1HB GLU 9 -11.333 10.971 12.841 40 HB3 GLU 9 2HB GLU 9 -11.688 10.382 11.223 41 HG2 GLU 9 1HG GLU 9 -9.317 10.574 11.490 42 HG3 GLU 9 2HG GLU 9 -9.869 11.793 10.342 43 H ASP 10 H ASP 10 -14.293 13.879 11.888 44 HA ASP 10 HA ASP 10 -16.127 11.605 12.218 45 HB2 ASP 10 1HB ASP 10 -15.896 13.394 14.036 46 HB3 ASP 10 2HB ASP 10 -16.732 14.472 12.922 47 H SER 11 H SER 11 -15.940 14.823 10.708 48 HA SER 11 HA SER 11 -17.968 13.933 8.765 49 HB2 SER 11 1HB SER 11 -18.523 16.286 8.427 50 HB3 SER 11 2HB SER 11 -18.635 15.885 10.141 51 HG SER 11 HG SER 11 -16.212 16.650 9.908 52 H LEU 12 H LEU 12 -15.421 13.076 8.317 53 HA LEU 12 HA LEU 12 -13.781 14.776 6.804 54 HB2 LEU 12 1HB LEU 12 -14.089 11.816 7.032 55 HB3 LEU 12 2HB LEU 12 -13.061 12.484 5.766 56 HG LEU 12 HG LEU 12 -12.631 13.311 8.606 57 HD11 LEU 12 1HD1 LEU 12 -12.241 10.623 7.492 58 HD12 LEU 12 2HD1 LEU 12 -12.359 11.155 9.169 59 HD13 LEU 12 3HD1 LEU 12 -10.832 11.310 8.301 60 HD21 LEU 12 1HD2 LEU 12 -10.248 13.296 7.709 61 HD22 LEU 12 2HD2 LEU 12 -11.337 14.527 7.070 62 HD23 LEU 12 3HD2 LEU 12 -10.970 13.092 6.112 63 H MET 13 H MET 13 -13.263 14.230 4.414 64 HA MET 13 HA MET 13 -15.646 14.794 2.908 65 HB2 MET 13 1HB MET 13 -13.097 15.566 2.597 66 HB3 MET 13 2HB MET 13 -13.097 14.182 1.511 67 HG2 MET 13 1HG MET 13 -14.602 15.143 0.064 68 HG3 MET 13 2HG MET 13 -15.265 16.213 1.296 69 HE1 MET 13 1HE MET 13 -13.728 17.644 2.604 70 HE2 MET 13 2HE MET 13 -12.133 18.202 2.102 71 HE3 MET 13 3HE MET 13 -13.574 19.090 1.606 72 HA PRO 14 HA PRO 14 -16.644 10.679 1.700 73 HB2 PRO 14 1HB PRO 14 -18.045 11.228 -0.560 74 HB3 PRO 14 2HB PRO 14 -18.684 11.523 1.062 75 HG2 PRO 14 1HG PRO 14 -17.433 13.447 -0.860 76 HG3 PRO 14 2HG PRO 14 -18.869 13.658 0.159 77 HD2 PRO 14 1HD PRO 14 -16.450 14.677 0.821 78 HD3 PRO 14 2HD PRO 14 -17.620 14.129 2.038 79 H GLU 15 H GLU 15 -16.837 9.516 -0.648 80 HA GLU 15 HA GLU 15 -14.124 9.667 -1.724 81 HB2 GLU 15 1HB GLU 15 -15.347 7.502 -0.923 82 HB3 GLU 15 2HB GLU 15 -16.127 7.575 -2.496 83 HG2 GLU 15 1HG GLU 15 -13.909 7.564 -3.566 84 HG3 GLU 15 2HG GLU 15 -13.168 7.403 -1.975 85 H GLU 16 H GLU 16 -17.465 9.413 -2.941 86 HA GLU 16 HA GLU 16 -17.130 9.627 -5.613 87 HB2 GLU 16 1HB GLU 16 -19.163 11.053 -3.896 88 HB3 GLU 16 2HB GLU 16 -19.254 10.990 -5.650 89 HG2 GLU 16 1HG GLU 16 -20.593 9.234 -5.159 90 HG3 GLU 16 2HG GLU 16 -19.045 8.393 -5.206 91 H GLU 17 H GLU 17 -17.391 12.466 -3.465 92 HA GLU 17 HA GLU 17 -16.701 14.333 -5.479 93 HB2 GLU 17 1HB GLU 17 -17.937 15.046 -3.527 94 HB3 GLU 17 2HB GLU 17 -16.629 14.543 -2.466 95 HG2 GLU 17 1HG GLU 17 -16.222 16.773 -2.540 96 HG3 GLU 17 2HG GLU 17 -15.250 16.255 -3.916 97 H PHE 18 H PHE 18 -14.829 12.892 -2.823 98 HA PHE 18 HA PHE 18 -12.451 14.138 -2.965 99 HB2 PHE 18 1HB PHE 18 -12.740 12.309 -1.443 100 HB3 PHE 18 2HB PHE 18 -12.948 11.166 -2.766 101 HD1 PHE 18 2HD PHE 18 -10.539 13.167 -0.870 102 HD2 PHE 18 1HD PHE 18 -11.061 10.302 -3.974 103 HE1 PHE 18 2HE PHE 18 -8.126 12.688 -0.828 104 HE2 PHE 18 1HE PHE 18 -8.649 9.817 -3.936 105 HZ PHE 18 HZ PHE 18 -7.178 11.011 -2.363 106 H LEU 19 H LEU 19 -13.105 11.252 -4.960 107 HA LEU 19 HA LEU 19 -10.908 11.268 -6.564 108 HB2 LEU 19 1HB LEU 19 -13.702 10.752 -7.564 109 HB3 LEU 19 2HB LEU 19 -12.202 10.120 -8.237 110 HG LEU 19 HG LEU 19 -13.382 9.399 -5.555 111 HD11 LEU 19 1HD1 LEU 19 -13.030 7.235 -7.408 112 HD12 LEU 19 2HD1 LEU 19 -14.039 8.494 -8.120 113 HD13 LEU 19 3HD1 LEU 19 -14.489 7.772 -6.575 114 HD21 LEU 19 1HD2 LEU 19 -11.585 7.943 -5.230 115 HD22 LEU 19 2HD2 LEU 19 -10.833 9.426 -5.817 116 HD23 LEU 19 3HD2 LEU 19 -11.064 8.061 -6.911 117 H ARG 20 H ARG 20 -13.833 13.218 -6.988 118 HA ARG 20 HA ARG 20 -13.084 14.398 -9.440 119 HB2 ARG 20 1HB ARG 20 -14.893 15.516 -7.291 120 HB3 ARG 20 2HB ARG 20 -14.827 16.047 -8.966 121 HG2 ARG 20 1HG ARG 20 -15.779 14.046 -9.750 122 HG3 ARG 20 2HG ARG 20 -15.512 13.225 -8.211 123 HD2 ARG 20 1HD ARG 20 -17.054 15.126 -7.280 124 HD3 ARG 20 2HD ARG 20 -17.581 15.241 -8.959 125 HE ARG 20 HE ARG 20 -18.134 13.102 -7.101 126 HH11 ARG 20 2HH1 ARG 20 -18.001 14.079 -10.440 127 HH12 ARG 20 1HH1 ARG 20 -19.098 12.851 -10.978 128 HH21 ARG 20 2HH2 ARG 20 -19.580 11.482 -7.797 129 HH22 ARG 20 1HH2 ARG 20 -19.997 11.375 -9.474 130 H ARG 21 H ARG 21 -12.289 15.112 -6.125 131 HA ARG 21 HA ARG 21 -11.129 17.691 -6.792 132 HB2 ARG 21 1HB ARG 21 -11.479 16.143 -4.239 133 HB3 ARG 21 2HB ARG 21 -10.424 17.548 -4.308 134 HG2 ARG 21 1HG ARG 21 -12.304 18.929 -5.029 135 HG3 ARG 21 2HG ARG 21 -13.363 17.519 -4.962 136 HD2 ARG 21 1HD ARG 21 -13.623 18.851 -2.955 137 HD3 ARG 21 2HD ARG 21 -12.887 17.298 -2.561 138 HE ARG 21 HE ARG 21 -11.030 18.414 -1.840 139 HH11 ARG 21 2HH1 ARG 21 -12.905 20.541 -3.860 140 HH12 ARG 21 1HH1 ARG 21 -11.920 21.929 -3.537 141 HH21 ARG 21 2HH2 ARG 21 -9.725 20.234 -1.407 142 HH22 ARG 21 1HH2 ARG 21 -10.111 21.753 -2.142 143 H ASN 22 H ASN 22 -9.851 14.856 -5.042 144 HA ASN 22 HA ASN 22 -7.155 15.544 -5.814 145 HB2 ASN 22 1HB ASN 22 -8.198 13.150 -4.283 146 HB3 ASN 22 2HB ASN 22 -6.504 13.603 -4.451 147 HD21 ASN 22 1HD2 ASN 22 -9.564 14.426 -3.010 148 HD22 ASN 22 2HD2 ASN 22 -8.938 15.514 -1.823 149 H LYS 23 H LYS 23 -7.074 15.290 -8.042 150 HA LYS 23 HA LYS 23 -7.946 12.919 -9.364 151 HB2 LYS 23 1HB LYS 23 -6.301 15.298 -10.168 152 HB3 LYS 23 2HB LYS 23 -6.430 13.907 -11.236 153 HG2 LYS 23 1HG LYS 23 -8.957 14.180 -11.000 154 HG3 LYS 23 2HG LYS 23 -8.594 15.767 -10.319 155 HD2 LYS 23 1HD LYS 23 -7.512 16.463 -12.330 156 HD3 LYS 23 2HD LYS 23 -7.572 14.829 -12.995 157 HE2 LYS 23 1HE LYS 23 -9.295 16.095 -14.046 158 HE3 LYS 23 2HE LYS 23 -10.069 14.985 -12.917 159 HZ1 LYS 23 1HZ LYS 23 -9.448 17.802 -12.238 160 HZ2 LYS 23 2HZ LYS 23 -10.441 16.728 -11.389 161 HZ3 LYS 23 3HZ LYS 23 -10.930 17.319 -12.896 162 H GLY 24 H GLY 24 -4.865 14.057 -8.090 163 HA2 GLY 24 1HA GLY 24 -2.946 12.894 -7.580 164 HA3 GLY 24 2HA GLY 24 -3.849 11.412 -7.856 165 HA PRO 25 HA PRO 25 -2.453 9.949 -7.965 166 HB2 PRO 25 1HB PRO 25 0.130 9.131 -8.147 167 HB3 PRO 25 2HB PRO 25 -1.163 8.464 -9.152 168 HG2 PRO 25 1HG PRO 25 0.868 10.560 -9.821 169 HG3 PRO 25 2HG PRO 25 0.299 9.199 -10.805 170 HD2 PRO 25 1HD PRO 25 -0.600 11.729 -11.159 171 HD3 PRO 25 2HD PRO 25 -1.618 10.304 -11.451 172 H VAL 26 H VAL 26 -1.299 9.854 -5.919 173 HA VAL 26 HA VAL 26 -0.139 12.459 -5.217 174 HB VAL 26 HB VAL 26 -0.665 11.886 -2.886 175 HG11 VAL 26 1HG1 VAL 26 -2.475 13.053 -3.495 176 HG12 VAL 26 2HG1 VAL 26 -2.643 12.175 -5.016 177 HG13 VAL 26 3HG1 VAL 26 -3.299 11.495 -3.526 178 HG21 VAL 26 1HG2 VAL 26 -2.272 9.539 -3.765 179 HG22 VAL 26 2HG2 VAL 26 -0.537 9.333 -3.522 180 HG23 VAL 26 3HG2 VAL 26 -1.553 9.890 -2.193 181 H SER 27 H SER 27 1.518 12.388 -3.431 182 HA SER 27 HA SER 27 3.356 10.122 -3.855 183 HB2 SER 27 1HB SER 27 3.936 12.527 -4.759 184 HB3 SER 27 2HB SER 27 4.368 12.832 -3.076 185 HG SER 27 HG SER 27 5.374 10.684 -4.634 186 H ILE 28 H ILE 28 3.179 8.899 -2.079 187 HA ILE 28 HA ILE 28 3.137 10.227 0.545 188 HB ILE 28 HB ILE 28 2.192 8.242 1.473 189 HG12 ILE 28 1HG1 ILE 28 1.633 6.398 -0.401 190 HG13 ILE 28 2HG1 ILE 28 3.132 7.032 -1.072 191 HG21 ILE 28 1HG2 ILE 28 0.980 9.473 -0.892 192 HG22 ILE 28 2HG2 ILE 28 0.293 7.910 -0.449 193 HG23 ILE 28 3HG2 ILE 28 0.321 9.226 0.725 194 HD11 ILE 28 1HD1 ILE 28 2.911 5.057 0.815 195 HD12 ILE 28 2HD1 ILE 28 4.367 5.984 0.450 196 HD13 ILE 28 3HD1 ILE 28 3.315 6.481 1.774 197 H LYS 29 H LYS 29 4.779 9.987 1.937 198 HA LYS 29 HA LYS 29 7.060 8.366 1.080 199 HB2 LYS 29 1HB LYS 29 7.268 10.836 1.688 200 HB3 LYS 29 2HB LYS 29 7.007 10.344 3.356 201 HG2 LYS 29 1HG LYS 29 8.981 8.815 3.111 202 HG3 LYS 29 2HG LYS 29 9.288 9.583 1.552 203 HD2 LYS 29 1HD LYS 29 8.959 11.266 4.000 204 HD3 LYS 29 2HD LYS 29 10.495 10.452 3.696 205 HE2 LYS 29 1HE LYS 29 10.155 11.514 1.293 206 HE3 LYS 29 2HE LYS 29 9.178 12.663 2.206 207 HZ1 LYS 29 1HZ LYS 29 10.979 13.473 3.298 208 HZ2 LYS 29 2HZ LYS 29 11.747 13.005 1.866 209 HZ3 LYS 29 3HZ LYS 29 11.837 12.016 3.236 210 H VAL 30 H VAL 30 7.622 6.542 2.082 211 HA VAL 30 HA VAL 30 6.133 5.763 4.480 212 HB VAL 30 HB VAL 30 7.794 4.126 2.562 213 HG11 VAL 30 1HG1 VAL 30 6.686 3.507 5.234 214 HG12 VAL 30 2HG1 VAL 30 6.490 2.277 3.984 215 HG13 VAL 30 3HG1 VAL 30 8.102 2.852 4.412 216 HG21 VAL 30 1HG2 VAL 30 5.880 4.257 1.392 217 HG22 VAL 30 2HG2 VAL 30 5.286 3.077 2.560 218 HG23 VAL 30 3HG2 VAL 30 4.945 4.792 2.788 219 H GLN 31 H GLN 31 7.109 6.364 6.310 220 HA GLN 31 HA GLN 31 9.900 6.769 6.576 221 HB2 GLN 31 1HB GLN 31 8.107 7.859 7.965 222 HB3 GLN 31 2HB GLN 31 7.912 6.326 8.805 223 HG2 GLN 31 1HG GLN 31 10.508 7.835 8.670 224 HG3 GLN 31 2HG GLN 31 9.336 8.008 9.976 225 HE21 GLN 31 1HE2 GLN 31 12.168 6.805 9.552 226 HE22 GLN 31 2HE2 GLN 31 12.078 5.311 10.415 227 H VAL 32 H VAL 32 11.286 5.127 6.364 228 HA VAL 32 HA VAL 32 10.619 2.511 7.489 229 HB VAL 32 HB VAL 32 12.991 3.289 5.787 230 HG11 VAL 32 1HG1 VAL 32 12.636 1.058 7.366 231 HG12 VAL 32 2HG1 VAL 32 12.131 0.511 5.766 232 HG13 VAL 32 3HG1 VAL 32 13.740 1.198 5.998 233 HG21 VAL 32 1HG2 VAL 32 11.462 3.454 4.156 234 HG22 VAL 32 2HG2 VAL 32 11.408 1.693 4.238 235 HG23 VAL 32 3HG2 VAL 32 10.214 2.653 5.112 236 HA PRO 33 HA PRO 33 13.102 3.735 11.031 237 HB2 PRO 33 1HB PRO 33 12.445 1.568 12.528 238 HB3 PRO 33 2HB PRO 33 11.381 2.967 12.344 239 HG2 PRO 33 1HG PRO 33 11.305 0.329 10.930 240 HG3 PRO 33 2HG PRO 33 9.965 1.279 11.599 241 HD2 PRO 33 1HD PRO 33 10.567 1.269 8.959 242 HD3 PRO 33 2HD PRO 33 9.890 2.691 9.779 243 H ASN 34 H ASN 34 14.935 2.831 12.138 244 HA ASN 34 HA ASN 34 16.388 0.911 10.474 245 HB2 ASN 34 1HB ASN 34 17.693 2.836 10.789 246 HB3 ASN 34 2HB ASN 34 17.237 2.980 12.484 247 HD21 ASN 34 1HD2 ASN 34 18.476 2.056 13.995 248 HD22 ASN 34 2HD2 ASN 34 19.860 1.074 13.669 249 H MET 35 H MET 35 16.114 -1.141 11.071 250 HA MET 35 HA MET 35 15.830 -1.795 13.909 251 HB2 MET 35 1HB MET 35 15.117 -3.147 11.355 252 HB3 MET 35 2HB MET 35 15.485 -4.166 12.740 253 HG2 MET 35 1HG MET 35 13.794 -2.625 13.977 254 HG3 MET 35 2HG MET 35 13.244 -2.242 12.347 255 HE1 MET 35 1HE MET 35 11.845 -5.431 14.923 256 HE2 MET 35 2HE MET 35 12.618 -3.875 15.227 257 HE3 MET 35 3HE MET 35 11.028 -3.936 14.466 258 H GLN 36 H GLN 36 17.795 -1.898 14.845 259 HA GLN 36 HA GLN 36 20.160 -2.749 13.568 260 HB2 GLN 36 1HB GLN 36 19.990 -1.325 15.648 261 HB3 GLN 36 2HB GLN 36 19.626 -2.797 16.539 262 HG2 GLN 36 1HG GLN 36 21.800 -3.725 15.748 263 HG3 GLN 36 2HG GLN 36 22.162 -2.142 15.062 264 HE21 GLN 36 1HE2 GLN 36 23.008 -0.620 16.336 265 HE22 GLN 36 2HE2 GLN 36 23.225 -0.762 18.044 266 H ASP 37 H ASP 37 17.636 -4.459 15.240 267 HA ASP 37 HA ASP 37 18.749 -6.785 16.070 268 HB2 ASP 37 1HB ASP 37 16.159 -6.295 14.617 269 HB3 ASP 37 2HB ASP 37 16.606 -7.905 15.175 270 H LYS 38 H LYS 38 18.402 -5.714 12.775 271 HA LYS 38 HA LYS 38 19.309 -6.479 10.831 272 HB2 LYS 38 1HB LYS 38 21.309 -6.911 12.299 273 HB3 LYS 38 2HB LYS 38 20.725 -8.557 12.505 274 HG2 LYS 38 1HG LYS 38 22.231 -8.835 10.807 275 HG3 LYS 38 2HG LYS 38 20.744 -8.577 9.891 276 HD2 LYS 38 1HD LYS 38 22.260 -7.173 8.829 277 HD3 LYS 38 2HD LYS 38 21.426 -6.083 9.938 278 HE2 LYS 38 1HE LYS 38 23.241 -6.120 11.470 279 HE3 LYS 38 2HE LYS 38 24.015 -7.458 10.623 280 HZ1 LYS 38 1HZ LYS 38 23.587 -5.227 8.902 281 HZ2 LYS 38 2HZ LYS 38 25.020 -6.055 9.249 282 HZ3 LYS 38 3HZ LYS 38 24.510 -4.791 10.251 283 H THR 39 H THR 39 16.782 -7.318 11.468 284 HA THR 39 HA THR 39 16.506 -10.160 11.212 285 HB THR 39 HB THR 39 14.788 -8.867 12.369 286 HG1 THR 39 1HG THR 39 13.235 -9.627 10.258 287 HG21 THR 39 1HG2 THR 39 13.371 -7.296 11.282 288 HG22 THR 39 2HG2 THR 39 14.036 -7.692 9.698 289 HG23 THR 39 3HG2 THR 39 15.026 -6.840 10.882 290 H GLU 40 H GLU 40 14.625 -10.673 9.397 291 HA GLU 40 HA GLU 40 16.066 -10.419 6.906 292 HB2 GLU 40 1HB GLU 40 14.440 -11.987 6.020 293 HB3 GLU 40 2HB GLU 40 15.034 -12.559 7.573 294 HG2 GLU 40 1HG GLU 40 13.034 -12.078 8.656 295 HG3 GLU 40 2HG GLU 40 12.498 -10.984 7.382 296 H TRP 41 H TRP 41 14.957 -7.987 7.985 297 HA TRP 41 HA TRP 41 13.063 -7.323 5.827 298 HB2 TRP 41 1HB TRP 41 13.137 -6.172 8.625 299 HB3 TRP 41 2HB TRP 41 12.060 -5.645 7.335 300 HD1 TRP 41 HD TRP 41 11.551 -8.837 6.431 301 HE1 TRP 41 1HE TRP 41 9.822 -10.144 7.819 302 HE3 TRP 41 3HE TRP 41 11.483 -5.902 10.616 303 HZ2 TRP 41 2HZ TRP 41 8.591 -9.955 10.352 304 HZ3 TRP 41 3HZ TRP 41 10.001 -6.534 12.476 305 HH2 TRP 41 HH TRP 41 8.585 -8.519 12.345 306 H LYS 42 H LYS 42 13.615 -5.681 4.531 307 HA LYS 42 HA LYS 42 16.200 -4.506 4.747 308 HB2 LYS 42 1HB LYS 42 13.881 -3.869 2.915 309 HB3 LYS 42 2HB LYS 42 15.497 -3.195 2.747 310 HG2 LYS 42 1HG LYS 42 15.255 -6.146 2.846 311 HG3 LYS 42 2HG LYS 42 14.693 -5.324 1.389 312 HD2 LYS 42 1HD LYS 42 16.864 -5.574 0.786 313 HD3 LYS 42 2HD LYS 42 17.044 -4.081 1.710 314 HE2 LYS 42 1HE LYS 42 17.576 -5.473 3.711 315 HE3 LYS 42 2HE LYS 42 17.560 -6.893 2.667 316 HZ1 LYS 42 1HZ LYS 42 19.233 -5.310 1.333 317 HZ2 LYS 42 2HZ LYS 42 19.738 -6.429 2.496 318 HZ3 LYS 42 3HZ LYS 42 19.554 -4.800 2.915 319 H LEU 43 H LEU 43 15.760 -3.636 6.971 320 HA LEU 43 HA LEU 43 14.500 -0.977 6.807 321 HB2 LEU 43 1HB LEU 43 14.891 -2.670 9.269 322 HB3 LEU 43 2HB LEU 43 14.053 -1.122 9.177 323 HG LEU 43 HG LEU 43 13.108 -3.578 7.715 324 HD11 LEU 43 1HD1 LEU 43 12.440 -4.454 9.637 325 HD12 LEU 43 2HD1 LEU 43 11.430 -3.033 9.902 326 HD13 LEU 43 3HD1 LEU 43 13.077 -3.073 10.531 327 HD21 LEU 43 1HD2 LEU 43 11.211 -1.535 8.592 328 HD22 LEU 43 2HD2 LEU 43 11.384 -2.329 7.026 329 HD23 LEU 43 3HD2 LEU 43 12.407 -0.951 7.435 330 H ASN 44 H ASN 44 16.204 0.316 6.330 331 HA ASN 44 HA ASN 44 18.354 0.429 8.327 332 HB2 ASN 44 1HB ASN 44 19.016 -0.734 6.119 333 HB3 ASN 44 2HB ASN 44 18.923 0.873 5.404 334 HD21 ASN 44 1HD2 ASN 44 21.071 1.064 4.958 335 HD22 ASN 44 2HD2 ASN 44 22.288 1.197 6.177 336 H GLY 45 H GLY 45 16.619 2.119 8.925 337 HA2 GLY 45 1HA GLY 45 15.801 4.300 8.830 338 HA3 GLY 45 2HA GLY 45 17.526 4.623 8.915 339 H GLN 46 H GLN 46 14.748 4.374 6.801 340 HA GLN 46 HA GLN 46 15.914 6.286 4.994 341 HB2 GLN 46 1HB GLN 46 15.698 4.878 2.985 342 HB3 GLN 46 2HB GLN 46 16.899 4.249 4.105 343 HG2 GLN 46 1HG GLN 46 15.036 2.734 4.972 344 HG3 GLN 46 2HG GLN 46 14.160 3.193 3.513 345 HE21 GLN 46 1HE2 GLN 46 14.493 0.671 3.578 346 HE22 GLN 46 2HE2 GLN 46 15.813 0.111 2.615 347 H GLY 47 H GLY 47 14.288 6.283 2.907 348 HA2 GLY 47 1HA GLY 47 11.541 6.091 3.950 349 HA3 GLY 47 2HA GLY 47 12.107 7.607 3.264 350 H LEU 48 H LEU 48 10.184 5.164 2.570 351 HA LEU 48 HA LEU 48 11.005 4.950 -0.247 352 HB2 LEU 48 1HB LEU 48 9.051 3.240 1.284 353 HB3 LEU 48 2HB LEU 48 9.595 2.981 -0.372 354 HG LEU 48 HG LEU 48 11.357 2.813 2.072 355 HD11 LEU 48 1HD1 LEU 48 10.295 0.569 0.368 356 HD12 LEU 48 2HD1 LEU 48 9.611 1.039 1.924 357 HD13 LEU 48 3HD1 LEU 48 11.267 0.440 1.834 358 HD21 LEU 48 1HD2 LEU 48 12.096 3.303 -0.511 359 HD22 LEU 48 2HD2 LEU 48 12.189 1.543 -0.428 360 HD23 LEU 48 3HD2 LEU 48 13.110 2.530 0.708 361 H VAL 49 H VAL 49 10.034 6.416 -1.482 362 HA VAL 49 HA VAL 49 7.319 7.295 -0.830 363 HB VAL 49 HB VAL 49 9.225 8.406 -2.895 364 HG11 VAL 49 1HG1 VAL 49 7.072 10.078 -1.803 365 HG12 VAL 49 2HG1 VAL 49 7.655 9.913 -3.460 366 HG13 VAL 49 3HG1 VAL 49 6.531 8.726 -2.797 367 HG21 VAL 49 1HG2 VAL 49 10.199 9.658 -1.324 368 HG22 VAL 49 2HG2 VAL 49 8.656 10.063 -0.572 369 HG23 VAL 49 3HG2 VAL 49 9.474 8.558 -0.151 370 H PHE 50 H PHE 50 5.584 6.816 -2.042 371 HA PHE 50 HA PHE 50 6.031 5.425 -4.600 372 HB2 PHE 50 1HB PHE 50 3.773 4.822 -2.688 373 HB3 PHE 50 2HB PHE 50 4.228 3.920 -4.130 374 HD1 PHE 50 1HD PHE 50 6.839 3.183 -4.053 375 HD2 PHE 50 2HD PHE 50 4.309 3.846 -0.695 376 HE1 PHE 50 1HE PHE 50 8.274 1.724 -2.687 377 HE2 PHE 50 2HE PHE 50 5.741 2.389 0.677 378 HZ PHE 50 HZ PHE 50 7.727 1.327 -0.319 379 H THR 51 H THR 51 4.874 6.114 -6.306 380 HA THR 51 HA THR 51 2.861 8.210 -5.811 381 HB THR 51 HB THR 51 4.450 7.868 -8.355 382 HG1 THR 51 1HG THR 51 5.600 8.465 -6.233 383 HG21 THR 51 1HG2 THR 51 3.438 9.755 -9.105 384 HG22 THR 51 2HG2 THR 51 3.345 10.473 -7.496 385 HG23 THR 51 3HG2 THR 51 2.172 9.250 -7.986 386 H LEU 52 H LEU 52 0.949 7.156 -5.877 387 HA LEU 52 HA LEU 52 0.251 5.840 -8.397 388 HB2 LEU 52 1HB LEU 52 -1.141 4.267 -6.777 389 HB3 LEU 52 2HB LEU 52 0.501 3.884 -7.292 390 HG LEU 52 HG LEU 52 0.135 3.452 -4.901 391 HD11 LEU 52 1HD1 LEU 52 2.266 3.956 -4.506 392 HD12 LEU 52 2HD1 LEU 52 1.965 5.688 -4.643 393 HD13 LEU 52 3HD1 LEU 52 2.273 4.730 -6.091 394 HD21 LEU 52 1HD2 LEU 52 -0.545 5.025 -3.382 395 HD22 LEU 52 2HD2 LEU 52 -1.469 5.531 -4.797 396 HD23 LEU 52 3HD2 LEU 52 0.017 6.379 -4.363 397 HA PRO 53 HA PRO 53 -3.434 8.214 -8.111 398 HB2 PRO 53 1HB PRO 53 -5.154 6.633 -9.495 399 HB3 PRO 53 2HB PRO 53 -3.867 7.563 -10.272 400 HG2 PRO 53 1HG PRO 53 -3.924 4.665 -9.526 401 HG3 PRO 53 2HG PRO 53 -3.326 5.426 -11.012 402 HD2 PRO 53 1HD PRO 53 -1.676 4.625 -9.020 403 HD3 PRO 53 2HD PRO 53 -1.322 6.030 -10.046 404 H LEU 54 H LEU 54 -5.773 8.051 -7.475 405 HA LEU 54 HA LEU 54 -6.011 6.272 -5.159 406 HB2 LEU 54 1HB LEU 54 -7.431 8.806 -5.938 407 HB3 LEU 54 2HB LEU 54 -7.940 7.801 -4.583 408 HG LEU 54 HG LEU 54 -6.691 9.543 -3.631 409 HD11 LEU 54 1HD1 LEU 54 -4.462 7.600 -3.829 410 HD12 LEU 54 2HD1 LEU 54 -5.999 7.020 -3.190 411 HD13 LEU 54 3HD1 LEU 54 -5.175 8.370 -2.412 412 HD21 LEU 54 1HD2 LEU 54 -4.705 9.070 -5.843 413 HD22 LEU 54 2HD2 LEU 54 -4.371 10.074 -4.432 414 HD23 LEU 54 3HD2 LEU 54 -5.668 10.516 -5.543 415 H THR 55 H THR 55 -6.589 4.390 -6.326 416 HA THR 55 HA THR 55 -9.368 4.430 -7.303 417 HB THR 55 HB THR 55 -8.502 2.382 -8.728 418 HG1 THR 55 1HG THR 55 -6.390 2.241 -8.409 419 HG21 THR 55 1HG2 THR 55 -7.680 5.040 -9.808 420 HG22 THR 55 2HG2 THR 55 -9.372 4.775 -9.387 421 HG23 THR 55 3HG2 THR 55 -8.589 3.743 -10.582 422 H ASP 56 H ASP 56 -6.767 2.498 -5.880 423 HA ASP 56 HA ASP 56 -8.744 0.549 -4.936 424 HB2 ASP 56 1HB ASP 56 -5.728 0.449 -5.081 425 HB3 ASP 56 2HB ASP 56 -6.706 -0.796 -4.309 426 H GLN 57 H GLN 57 -7.691 -0.447 -2.700 427 HA GLN 57 HA GLN 57 -7.948 1.782 -0.832 428 HB2 GLN 57 1HB GLN 57 -7.949 -1.188 -0.273 429 HB3 GLN 57 2HB GLN 57 -8.373 0.088 0.860 430 HG2 GLN 57 1HG GLN 57 -10.410 0.460 -0.100 431 HG3 GLN 57 2HG GLN 57 -9.886 -0.098 -1.688 432 HE21 GLN 57 1HE2 GLN 57 -9.147 -2.518 -1.567 433 HE22 GLN 57 2HE2 GLN 57 -10.290 -3.573 -0.815 434 H VAL 58 H VAL 58 -6.653 1.351 1.312 435 HA VAL 58 HA VAL 58 -3.986 1.892 0.842 436 HB VAL 58 HB VAL 58 -5.138 0.602 3.320 437 HG11 VAL 58 1HG1 VAL 58 -3.229 1.623 4.471 438 HG12 VAL 58 2HG1 VAL 58 -2.708 0.463 3.248 439 HG13 VAL 58 3HG1 VAL 58 -2.606 2.194 2.923 440 HG21 VAL 58 1HG2 VAL 58 -5.424 2.840 4.174 441 HG22 VAL 58 2HG2 VAL 58 -4.728 3.527 2.706 442 HG23 VAL 58 3HG2 VAL 58 -6.280 2.692 2.639 443 H SER 59 H SER 59 -5.594 -1.122 0.729 444 HA SER 59 HA SER 59 -3.597 -2.918 1.452 445 HB2 SER 59 1HB SER 59 -4.765 -4.533 -0.032 446 HB3 SER 59 2HB SER 59 -5.879 -3.647 1.010 447 HG SER 59 HG SER 59 -5.298 -2.991 -1.690 448 H VAL 60 H VAL 60 -3.841 -0.869 -1.303 449 HA VAL 60 HA VAL 60 -1.960 -2.360 -2.912 450 HB VAL 60 HB VAL 60 -2.049 -0.347 -4.408 451 HG11 VAL 60 1HG1 VAL 60 -4.214 -0.844 -5.277 452 HG12 VAL 60 2HG1 VAL 60 -3.556 -2.338 -4.607 453 HG13 VAL 60 3HG1 VAL 60 -4.772 -1.428 -3.710 454 HG21 VAL 60 1HG2 VAL 60 -4.411 0.838 -3.369 455 HG22 VAL 60 2HG2 VAL 60 -3.195 0.826 -2.091 456 HG23 VAL 60 3HG2 VAL 60 -2.836 1.583 -3.643 457 H ILE 61 H ILE 61 -1.816 -0.008 -0.439 458 HA ILE 61 HA ILE 61 0.705 1.143 -1.205 459 HB ILE 61 HB ILE 61 -0.749 1.252 1.440 460 HG12 ILE 61 1HG1 ILE 61 -0.600 3.293 -0.788 461 HG13 ILE 61 2HG1 ILE 61 -1.981 2.247 -0.476 462 HG21 ILE 61 1HG2 ILE 61 1.006 3.461 0.936 463 HG22 ILE 61 2HG2 ILE 61 0.997 2.329 2.287 464 HG23 ILE 61 3HG2 ILE 61 1.899 1.945 0.822 465 HD11 ILE 61 1HD1 ILE 61 -1.132 3.755 1.863 466 HD12 ILE 61 2HD1 ILE 61 -1.628 4.770 0.509 467 HD13 ILE 61 3HD1 ILE 61 -2.734 3.558 1.154 468 H LYS 62 H LYS 62 -0.390 -1.379 0.999 469 HA LYS 62 HA LYS 62 2.137 -1.811 2.232 470 HB2 LYS 62 1HB LYS 62 -0.208 -3.705 1.986 471 HB3 LYS 62 2HB LYS 62 1.135 -3.862 3.110 472 HG2 LYS 62 1HG LYS 62 0.431 -2.032 4.386 473 HG3 LYS 62 2HG LYS 62 -0.646 -1.450 3.115 474 HD2 LYS 62 1HD LYS 62 -2.191 -3.200 3.491 475 HD3 LYS 62 2HD LYS 62 -1.042 -4.101 4.484 476 HE2 LYS 62 1HE LYS 62 -1.111 -2.198 6.117 477 HE3 LYS 62 2HE LYS 62 -2.428 -1.513 5.166 478 HZ1 LYS 62 1HZ LYS 62 -3.587 -2.697 6.713 479 HZ2 LYS 62 2HZ LYS 62 -2.410 -3.902 6.863 480 HZ3 LYS 62 3HZ LYS 62 -3.434 -3.884 5.517 481 H VAL 63 H VAL 63 0.373 -3.542 -0.330 482 HA VAL 63 HA VAL 63 2.103 -5.590 -0.866 483 HB VAL 63 HB VAL 63 -0.115 -4.997 -2.028 484 HG11 VAL 63 1HG1 VAL 63 1.378 -3.947 -4.317 485 HG12 VAL 63 2HG1 VAL 63 -0.193 -3.471 -3.669 486 HG13 VAL 63 3HG1 VAL 63 1.288 -2.846 -2.942 487 HG21 VAL 63 1HG2 VAL 63 1.290 -6.983 -2.505 488 HG22 VAL 63 2HG2 VAL 63 0.417 -6.393 -3.919 489 HG23 VAL 63 3HG2 VAL 63 2.137 -6.047 -3.738 490 H LYS 64 H LYS 64 2.529 -2.206 -1.556 491 HA LYS 64 HA LYS 64 4.653 -2.493 -3.430 492 HB2 LYS 64 1HB LYS 64 3.867 -0.162 -1.672 493 HB3 LYS 64 2HB LYS 64 5.064 -0.082 -2.958 494 HG2 LYS 64 1HG LYS 64 2.318 -1.048 -3.591 495 HG3 LYS 64 2HG LYS 64 2.602 0.680 -3.374 496 HD2 LYS 64 1HD LYS 64 4.377 -0.923 -5.173 497 HD3 LYS 64 2HD LYS 64 2.803 -0.367 -5.746 498 HE2 LYS 64 1HE LYS 64 3.521 1.948 -4.962 499 HE3 LYS 64 2HE LYS 64 5.145 1.277 -4.823 500 HZ1 LYS 64 1HZ LYS 64 5.151 2.128 -6.940 501 HZ2 LYS 64 2HZ LYS 64 3.531 1.742 -7.237 502 HZ3 LYS 64 3HZ LYS 64 4.706 0.525 -7.247 503 H ILE 65 H ILE 65 4.495 -2.077 0.070 504 HA ILE 65 HA ILE 65 7.211 -1.637 0.569 505 HB ILE 65 HB ILE 65 5.186 -3.047 2.311 506 HG12 ILE 65 1HG1 ILE 65 6.139 -0.181 2.417 507 HG13 ILE 65 2HG1 ILE 65 4.663 -0.686 1.601 508 HG21 ILE 65 1HG2 ILE 65 7.901 -3.034 2.654 509 HG22 ILE 65 2HG2 ILE 65 7.390 -1.643 3.609 510 HG23 ILE 65 3HG2 ILE 65 6.709 -3.236 3.938 511 HD11 ILE 65 1HD1 ILE 65 3.530 -0.898 3.520 512 HD12 ILE 65 2HD1 ILE 65 4.910 -1.579 4.383 513 HD13 ILE 65 3HD1 ILE 65 4.785 0.165 4.156 514 H HIS 66 H HIS 66 5.446 -4.713 0.990 515 HA HIS 66 HA HIS 66 7.579 -6.377 1.436 516 HB2 HIS 66 1HB HIS 66 5.190 -7.051 1.551 517 HB3 HIS 66 2HB HIS 66 5.136 -7.071 -0.209 518 HD1 HIS 66 1HD HIS 66 5.967 -9.146 -1.369 519 HD2 HIS 66 2HD HIS 66 6.838 -9.114 2.693 520 HE1 HIS 66 1HE HIS 66 6.835 -11.448 -0.849 521 HE2 HIS 66 2HE HIS 66 7.275 -11.431 1.631 522 H GLU 67 H GLU 67 6.572 -4.931 -1.563 523 HA GLU 67 HA GLU 67 7.906 -6.616 -3.367 524 HB2 GLU 67 1HB GLU 67 6.260 -4.521 -3.668 525 HB3 GLU 67 2HB GLU 67 7.791 -3.709 -3.968 526 HG2 GLU 67 1HG GLU 67 6.526 -5.947 -5.502 527 HG3 GLU 67 2HG GLU 67 7.034 -4.359 -6.075 528 H ALA 68 H ALA 68 8.962 -3.477 -2.037 529 HA ALA 68 HA ALA 68 11.629 -3.797 -3.041 530 HB1 ALA 68 1HB ALA 68 11.799 -1.616 -2.635 531 HB2 ALA 68 2HB ALA 68 10.101 -1.662 -2.159 532 HB3 ALA 68 3HB ALA 68 11.363 -1.824 -0.938 533 H THR 69 H THR 69 10.349 -3.540 0.283 534 HA THR 69 HA THR 69 12.773 -4.776 1.316 535 HB THR 69 HB THR 69 11.914 -4.256 3.527 536 HG1 THR 69 1HG THR 69 9.675 -4.632 3.058 537 HG21 THR 69 1HG2 THR 69 11.213 -1.779 2.039 538 HG22 THR 69 2HG2 THR 69 12.830 -2.445 1.814 539 HG23 THR 69 3HG2 THR 69 12.276 -2.000 3.428 540 H GLY 70 H GLY 70 12.720 -6.610 2.741 541 HA2 GLY 70 1HA GLY 70 10.896 -8.647 1.801 542 HA3 GLY 70 2HA GLY 70 12.240 -8.878 2.908 543 H MET 71 H MET 71 9.677 -6.513 3.347 544 HA MET 71 HA MET 71 8.939 -7.884 5.831 545 HB2 MET 71 1HB MET 71 9.640 -5.398 5.709 546 HB3 MET 71 2HB MET 71 8.035 -5.128 5.042 547 HG2 MET 71 1HG MET 71 6.990 -5.912 7.026 548 HG3 MET 71 2HG MET 71 8.523 -6.490 7.675 549 HE1 MET 71 1HE MET 71 8.114 -5.615 9.727 550 HE2 MET 71 2HE MET 71 8.684 -4.022 10.228 551 HE3 MET 71 3HE MET 71 6.980 -4.269 9.847 552 HA PRO 72 HA PRO 72 5.162 -9.258 3.986 553 HB2 PRO 72 1HB PRO 72 3.893 -9.973 6.277 554 HB3 PRO 72 2HB PRO 72 5.193 -10.932 5.560 555 HG2 PRO 72 1HG PRO 72 5.308 -8.979 7.826 556 HG3 PRO 72 2HG PRO 72 6.078 -10.570 7.680 557 HD2 PRO 72 1HD PRO 72 7.420 -8.256 7.257 558 HD3 PRO 72 2HD PRO 72 7.802 -9.755 6.385 559 H ALA 73 H ALA 73 2.945 -8.679 3.860 560 HA ALA 73 HA ALA 73 2.435 -5.931 4.643 561 HB1 ALA 73 1HB ALA 73 0.245 -7.284 3.303 562 HB2 ALA 73 2HB ALA 73 1.143 -5.841 2.830 563 HB3 ALA 73 3HB ALA 73 1.768 -7.440 2.428 564 H GLY 74 H GLY 74 2.559 -7.631 6.847 565 HA2 GLY 74 1HA GLY 74 -0.207 -7.408 7.813 566 HA3 GLY 74 2HA GLY 74 0.641 -8.934 8.016 567 H LYS 75 H LYS 75 3.019 -8.447 8.929 568 HA LYS 75 HA LYS 75 2.694 -7.734 11.597 569 HB2 LYS 75 1HB LYS 75 5.051 -8.139 9.813 570 HB3 LYS 75 2HB LYS 75 5.318 -7.409 11.390 571 HG2 LYS 75 1HG LYS 75 3.970 -9.429 12.284 572 HG3 LYS 75 2HG LYS 75 4.347 -10.154 10.719 573 HD2 LYS 75 1HD LYS 75 6.655 -10.106 11.129 574 HD3 LYS 75 2HD LYS 75 6.485 -8.948 12.449 575 HE2 LYS 75 1HE LYS 75 5.300 -10.680 13.759 576 HE3 LYS 75 2HE LYS 75 5.590 -11.829 12.454 577 HZ1 LYS 75 1HZ LYS 75 7.295 -11.132 14.566 578 HZ2 LYS 75 2HZ LYS 75 8.031 -10.651 13.122 579 HZ3 LYS 75 3HZ LYS 75 7.558 -12.261 13.334 580 H GLN 76 H GLN 76 3.909 -5.817 8.879 581 HA GLN 76 HA GLN 76 4.496 -3.517 10.463 582 HB2 GLN 76 1HB GLN 76 4.837 -2.377 8.340 583 HB3 GLN 76 2HB GLN 76 5.614 -3.954 8.316 584 HG2 GLN 76 1HG GLN 76 3.439 -4.755 7.186 585 HG3 GLN 76 2HG GLN 76 3.158 -3.042 6.881 586 HE21 GLN 76 1HE2 GLN 76 3.249 -4.074 4.647 587 HE22 GLN 76 2HE2 GLN 76 4.790 -4.061 3.867 588 H LYS 77 H LYS 77 3.322 -1.662 10.774 589 HA LYS 77 HA LYS 77 0.525 -1.710 9.848 590 HB2 LYS 77 1HB LYS 77 1.091 -2.130 12.384 591 HB3 LYS 77 2HB LYS 77 1.284 -0.383 12.420 592 HG2 LYS 77 1HG LYS 77 -0.940 0.012 12.076 593 HG3 LYS 77 2HG LYS 77 -1.189 -1.508 11.214 594 HD2 LYS 77 1HD LYS 77 -2.288 -1.692 13.323 595 HD3 LYS 77 2HD LYS 77 -0.838 -2.697 13.394 596 HE2 LYS 77 1HE LYS 77 0.287 -1.177 14.767 597 HE3 LYS 77 2HE LYS 77 -0.814 0.140 14.366 598 HZ1 LYS 77 1HZ LYS 77 -1.179 -0.757 16.604 599 HZ2 LYS 77 2HZ LYS 77 -1.558 -2.266 15.939 600 HZ3 LYS 77 3HZ LYS 77 -2.546 -0.930 15.621 601 H LEU 78 H LEU 78 0.069 -0.067 8.552 602 HA LEU 78 HA LEU 78 1.830 2.220 8.396 603 HB2 LEU 78 1HB LEU 78 -0.727 1.719 6.887 604 HB3 LEU 78 2HB LEU 78 0.548 2.864 6.473 605 HG LEU 78 HG LEU 78 0.866 -0.136 6.452 606 HD11 LEU 78 1HD1 LEU 78 0.492 1.752 4.133 607 HD12 LEU 78 2HD1 LEU 78 -0.738 0.653 4.756 608 HD13 LEU 78 3HD1 LEU 78 0.742 0.008 4.046 609 HD21 LEU 78 1HD2 LEU 78 2.916 0.383 5.188 610 HD22 LEU 78 2HD2 LEU 78 2.954 1.022 6.831 611 HD23 LEU 78 3HD2 LEU 78 2.635 2.101 5.472 612 H GLN 79 H GLN 79 1.471 4.203 9.195 613 HA GLN 79 HA GLN 79 -1.171 4.754 10.375 614 HB2 GLN 79 1HB GLN 79 0.781 4.299 11.991 615 HB3 GLN 79 2HB GLN 79 1.397 5.865 11.480 616 HG2 GLN 79 1HG GLN 79 -1.035 6.649 12.101 617 HG3 GLN 79 2HG GLN 79 -0.995 5.204 13.110 618 HE21 GLN 79 1HE2 GLN 79 -0.163 5.403 15.062 619 HE22 GLN 79 2HE2 GLN 79 0.857 6.688 15.604 620 H TYR 80 H TYR 80 -2.035 6.764 10.062 621 HA TYR 80 HA TYR 80 -0.428 8.795 8.708 622 HB2 TYR 80 1HB TYR 80 -1.366 7.782 6.805 623 HB3 TYR 80 2HB TYR 80 -2.912 7.509 7.601 624 HD1 TYR 80 1HD TYR 80 -0.696 10.243 6.378 625 HD2 TYR 80 2HD TYR 80 -4.667 9.005 7.273 626 HE1 TYR 80 1HE TYR 80 -1.560 12.328 5.400 627 HE2 TYR 80 2HE TYR 80 -5.542 11.086 6.296 628 HH TYR 80 HH TYR 80 -3.561 13.238 4.478 629 H GLU 81 H GLU 81 -0.744 10.709 9.622 630 HA GLU 81 HA GLU 81 -1.577 12.303 11.030 631 HB2 GLU 81 1HB GLU 81 -3.986 11.470 9.429 632 HB3 GLU 81 2HB GLU 81 -4.071 12.770 10.610 633 HG2 GLU 81 1HG GLU 81 -2.439 12.654 8.095 634 HG3 GLU 81 2HG GLU 81 -3.724 13.787 8.516 635 H GLY 82 H GLY 82 -1.188 10.006 12.416 636 HA2 GLY 82 1HA GLY 82 -1.734 9.020 14.416 637 HA3 GLY 82 2HA GLY 82 -2.893 10.322 14.641 638 H ILE 83 H ILE 83 -3.004 8.144 11.907 639 HA ILE 83 HA ILE 83 -5.387 6.867 13.080 640 HB ILE 83 HB ILE 83 -4.999 7.622 10.182 641 HG12 ILE 83 1HG1 ILE 83 -6.944 8.732 12.216 642 HG13 ILE 83 2HG1 ILE 83 -5.460 9.536 11.716 643 HG21 ILE 83 1HG2 ILE 83 -7.472 6.516 11.489 644 HG22 ILE 83 2HG2 ILE 83 -7.160 6.745 9.769 645 HG23 ILE 83 3HG2 ILE 83 -6.282 5.507 10.667 646 HD11 ILE 83 1HD1 ILE 83 -7.969 9.074 10.169 647 HD12 ILE 83 2HD1 ILE 83 -7.071 10.570 10.432 648 HD13 ILE 83 3HD1 ILE 83 -6.438 9.341 9.336 649 H PHE 84 H PHE 84 -5.591 4.692 12.847 650 HA PHE 84 HA PHE 84 -3.248 3.261 11.905 651 HB2 PHE 84 1HB PHE 84 -5.692 2.495 13.475 652 HB3 PHE 84 2HB PHE 84 -4.651 1.258 12.780 653 HD1 PHE 84 2HD PHE 84 -1.996 2.046 13.195 654 HD2 PHE 84 1HD PHE 84 -5.351 2.736 15.721 655 HE1 PHE 84 2HE PHE 84 -0.494 2.218 15.136 656 HE2 PHE 84 1HE PHE 84 -3.854 2.910 17.667 657 HZ PHE 84 HZ PHE 84 -1.423 2.650 17.376 658 H ILE 85 H ILE 85 -4.389 4.408 9.762 659 HA ILE 85 HA ILE 85 -6.399 3.426 8.319 660 HB ILE 85 HB ILE 85 -4.917 3.496 6.268 661 HG12 ILE 85 1HG1 ILE 85 -2.801 4.616 8.077 662 HG13 ILE 85 2HG1 ILE 85 -2.865 2.884 7.768 663 HG21 ILE 85 1HG2 ILE 85 -5.502 5.636 6.224 664 HG22 ILE 85 2HG2 ILE 85 -5.858 5.541 7.948 665 HG23 ILE 85 3HG2 ILE 85 -4.256 6.040 7.405 666 HD11 ILE 85 1HD1 ILE 85 -1.409 3.551 6.149 667 HD12 ILE 85 2HD1 ILE 85 -2.931 3.664 5.265 668 HD13 ILE 85 3HD1 ILE 85 -2.189 5.117 5.934 669 H LYS 86 H LYS 86 -7.112 1.553 7.513 670 HA LYS 86 HA LYS 86 -5.369 -0.801 7.774 671 HB2 LYS 86 1HB LYS 86 -8.332 -0.407 7.956 672 HB3 LYS 86 2HB LYS 86 -7.697 -1.980 7.492 673 HG2 LYS 86 1HG LYS 86 -7.826 -2.291 9.732 674 HG3 LYS 86 2HG LYS 86 -6.204 -1.600 9.646 675 HD2 LYS 86 1HD LYS 86 -7.328 0.661 9.997 676 HD3 LYS 86 2HD LYS 86 -8.773 -0.251 10.439 677 HE2 LYS 86 1HE LYS 86 -6.091 -0.659 11.747 678 HE3 LYS 86 2HE LYS 86 -7.299 0.472 12.354 679 HZ1 LYS 86 1HZ LYS 86 -7.164 -2.350 12.669 680 HZ2 LYS 86 2HZ LYS 86 -8.642 -1.896 11.982 681 HZ3 LYS 86 3HZ LYS 86 -8.157 -1.231 13.460 682 H ASP 87 H ASP 87 -5.937 -2.586 6.155 683 HA ASP 87 HA ASP 87 -5.466 -1.571 3.536 684 HB2 ASP 87 1HB ASP 87 -5.946 -4.134 3.015 685 HB3 ASP 87 2HB ASP 87 -4.442 -3.609 3.767 686 H SER 88 H SER 88 -8.276 -2.789 5.237 687 HA SER 88 HA SER 88 -9.946 -3.080 2.958 688 HB2 SER 88 1HB SER 88 -10.469 -2.871 5.915 689 HB3 SER 88 2HB SER 88 -11.798 -2.922 4.758 690 HG SER 88 HG SER 88 -9.854 -4.888 5.312 691 H ASN 89 H ASN 89 -9.029 -0.391 4.947 692 HA ASN 89 HA ASN 89 -11.186 1.322 4.146 693 HB2 ASN 89 1HB ASN 89 -8.614 1.722 5.645 694 HB3 ASN 89 2HB ASN 89 -9.557 3.110 5.111 695 HD21 ASN 89 1HD2 ASN 89 -9.974 0.013 6.786 696 HD22 ASN 89 2HD2 ASN 89 -11.100 0.603 7.956 697 H SER 90 H SER 90 -11.256 2.802 2.531 698 HA SER 90 HA SER 90 -9.324 2.528 0.407 699 HB2 SER 90 1HB SER 90 -11.772 4.298 0.621 700 HB3 SER 90 2HB SER 90 -10.820 4.043 -0.841 701 HG SER 90 HG SER 90 -12.299 2.527 -1.087 702 H LEU 91 H LEU 91 -8.170 4.281 -0.555 703 HA LEU 91 HA LEU 91 -6.918 5.980 1.350 704 HB2 LEU 91 1HB LEU 91 -6.766 5.834 -1.651 705 HB3 LEU 91 2HB LEU 91 -5.800 6.951 -0.690 706 HG LEU 91 HG LEU 91 -5.127 4.653 0.513 707 HD11 LEU 91 1HD1 LEU 91 -6.353 3.120 -0.757 708 HD12 LEU 91 2HD1 LEU 91 -4.720 3.028 -1.415 709 HD13 LEU 91 3HD1 LEU 91 -5.968 3.930 -2.275 710 HD21 LEU 91 1HD2 LEU 91 -3.410 6.020 -0.210 711 HD22 LEU 91 2HD2 LEU 91 -3.999 6.062 -1.872 712 HD23 LEU 91 3HD2 LEU 91 -3.219 4.607 -1.248 713 H ALA 92 H ALA 92 -9.063 6.623 -1.416 714 HA ALA 92 HA ALA 92 -9.211 9.380 -1.224 715 HB1 ALA 92 1HB ALA 92 -11.169 7.321 -2.178 716 HB2 ALA 92 2HB ALA 92 -11.567 9.040 -2.196 717 HB3 ALA 92 3HB ALA 92 -10.188 8.443 -3.120 718 H TYR 93 H TYR 93 -11.237 6.950 0.398 719 HA TYR 93 HA TYR 93 -13.097 8.456 1.659 720 HB2 TYR 93 1HB TYR 93 -13.028 6.064 1.965 721 HB3 TYR 93 2HB TYR 93 -11.498 6.172 2.828 722 HD1 TYR 93 1HD TYR 93 -11.443 7.203 5.104 723 HD2 TYR 93 2HD TYR 93 -15.097 6.376 3.086 724 HE1 TYR 93 1HE TYR 93 -12.655 7.380 7.237 725 HE2 TYR 93 2HE TYR 93 -16.318 6.552 5.213 726 HH TYR 93 HH TYR 93 -15.878 7.791 7.492 727 H TYR 94 H TYR 94 -9.831 7.849 2.952 728 HA TYR 94 HA TYR 94 -10.046 9.468 5.215 729 HB2 TYR 94 1HB TYR 94 -7.618 8.734 3.571 730 HB3 TYR 94 2HB TYR 94 -7.541 9.532 5.138 731 HD1 TYR 94 2HD TYR 94 -9.194 8.222 6.928 732 HD2 TYR 94 1HD TYR 94 -7.119 6.492 3.641 733 HE1 TYR 94 2HE TYR 94 -9.253 6.033 8.049 734 HE2 TYR 94 1HE TYR 94 -7.174 4.299 4.752 735 HH TYR 94 HH TYR 94 -7.642 3.209 6.653 736 H ASN 95 H ASN 95 -9.189 10.250 1.896 737 HA ASN 95 HA ASN 95 -9.206 12.254 0.796 738 HB2 ASN 95 1HB ASN 95 -9.828 13.673 3.377 739 HB3 ASN 95 2HB ASN 95 -10.236 14.155 1.733 740 HD21 ASN 95 1HD2 ASN 95 -11.565 12.330 0.585 741 HD22 ASN 95 2HD2 ASN 95 -12.925 11.768 1.491 742 H MET 96 H MET 96 -6.833 11.199 1.605 743 HA MET 96 HA MET 96 -5.198 12.917 3.129 744 HB2 MET 96 1HB MET 96 -4.417 10.968 0.953 745 HB3 MET 96 2HB MET 96 -3.312 11.695 2.112 746 HG2 MET 96 1HG MET 96 -4.589 10.612 3.936 747 HG3 MET 96 2HG MET 96 -5.570 9.803 2.716 748 HE1 MET 96 1HE MET 96 -5.006 7.191 2.555 749 HE2 MET 96 2HE MET 96 -3.679 6.671 3.594 750 HE3 MET 96 3HE MET 96 -4.918 7.759 4.223 751 H ALA 97 H ALA 97 -3.178 13.957 2.121 752 HA ALA 97 HA ALA 97 -3.979 15.476 -0.276 753 HB1 ALA 97 1HB ALA 97 -2.696 16.404 2.267 754 HB2 ALA 97 2HB ALA 97 -2.488 17.305 0.764 755 HB3 ALA 97 3HB ALA 97 -4.104 17.054 1.426 756 H SER 98 H SER 98 -2.567 15.565 -1.921 757 HA SER 98 HA SER 98 -0.592 13.826 -2.408 758 HB2 SER 98 1HB SER 98 0.314 15.342 -4.060 759 HB3 SER 98 2HB SER 98 -1.437 15.547 -4.015 760 HG SER 98 HG SER 98 0.557 17.233 -2.927 761 H GLY 99 H GLY 99 1.682 13.734 -2.248 762 HA2 GLY 99 1HA GLY 99 3.728 14.016 -1.238 763 HA3 GLY 99 2HA GLY 99 3.231 15.659 -0.858 764 H ALA 100 H ALA 100 1.587 12.719 0.176 765 HA ALA 100 HA ALA 100 1.650 13.588 2.912 766 HB1 ALA 100 1HB ALA 100 0.027 12.055 3.285 767 HB2 ALA 100 2HB ALA 100 -0.121 12.138 1.530 768 HB3 ALA 100 3HB ALA 100 0.797 10.830 2.276 769 H VAL 101 H VAL 101 2.143 11.757 4.597 770 HA VAL 101 HA VAL 101 4.564 10.278 3.885 771 HB VAL 101 HB VAL 101 5.452 12.354 4.736 772 HG11 VAL 101 1HG1 VAL 101 4.611 12.320 7.452 773 HG12 VAL 101 2HG1 VAL 101 4.362 13.573 6.235 774 HG13 VAL 101 3HG1 VAL 101 3.178 12.279 6.425 775 HG21 VAL 101 1HG2 VAL 101 6.621 11.490 6.804 776 HG22 VAL 101 2HG2 VAL 101 5.620 10.045 6.660 777 HG23 VAL 101 3HG2 VAL 101 6.743 10.472 5.369 778 H ILE 102 H ILE 102 3.953 8.260 4.343 779 HA ILE 102 HA ILE 102 2.257 7.715 6.645 780 HB ILE 102 HB ILE 102 3.347 5.835 4.547 781 HG12 ILE 102 1HG1 ILE 102 1.775 7.451 3.610 782 HG13 ILE 102 2HG1 ILE 102 1.036 5.855 3.677 783 HG21 ILE 102 1HG2 ILE 102 1.415 5.419 6.814 784 HG22 ILE 102 2HG2 ILE 102 1.534 4.324 5.438 785 HG23 ILE 102 3HG2 ILE 102 2.923 4.563 6.497 786 HD11 ILE 102 1HD1 ILE 102 0.367 8.323 5.155 787 HD12 ILE 102 2HD1 ILE 102 -0.684 7.070 4.493 788 HD13 ILE 102 3HD1 ILE 102 0.174 6.792 6.008 789 H HIS 103 H HIS 103 3.049 7.185 8.562 790 HA HIS 103 HA HIS 103 5.866 6.599 8.869 791 HB2 HIS 103 1HB HIS 103 3.618 6.959 10.853 792 HB3 HIS 103 2HB HIS 103 5.265 6.557 11.328 793 HD1 HIS 103 1HD HIS 103 7.085 8.405 10.946 794 HD2 HIS 103 2HD HIS 103 3.182 9.611 10.191 795 HE1 HIS 103 1HE HIS 103 7.166 10.917 10.840 796 HE2 HIS 103 2HE HIS 103 4.778 11.627 10.467 797 H LEU 104 H LEU 104 6.741 4.644 9.091 798 HA LEU 104 HA LEU 104 4.980 2.324 9.127 799 HB2 LEU 104 1HB LEU 104 6.971 2.652 7.551 800 HB3 LEU 104 2HB LEU 104 7.977 2.278 8.949 801 HG LEU 104 HG LEU 104 6.842 0.075 9.110 802 HD11 LEU 104 1HD1 LEU 104 5.835 0.059 6.404 803 HD12 LEU 104 2HD1 LEU 104 4.987 1.240 7.402 804 HD13 LEU 104 3HD1 LEU 104 5.054 -0.450 7.901 805 HD21 LEU 104 1HD2 LEU 104 8.484 -0.756 7.859 806 HD22 LEU 104 2HD2 LEU 104 8.848 0.903 7.384 807 HD23 LEU 104 3HD2 LEU 104 7.790 -0.090 6.380 808 H ALA 105 H ALA 105 4.905 0.813 10.729 809 HA ALA 105 HA ALA 105 6.771 0.877 12.935 810 HB1 ALA 105 1HB ALA 105 3.863 1.498 13.438 811 HB2 ALA 105 2HB ALA 105 5.114 1.286 14.664 812 HB3 ALA 105 3HB ALA 105 5.192 2.652 13.551 813 H LEU 106 H LEU 106 6.955 -1.077 13.897 814 HA LEU 106 HA LEU 106 5.644 -3.311 12.709 815 HB2 LEU 106 1HB LEU 106 8.004 -3.034 13.887 816 HB3 LEU 106 2HB LEU 106 7.089 -3.582 15.291 817 HG LEU 106 HG LEU 106 7.421 -5.082 12.693 818 HD11 LEU 106 1HD1 LEU 106 9.469 -5.106 13.930 819 HD12 LEU 106 2HD1 LEU 106 8.683 -6.671 14.134 820 HD13 LEU 106 3HD1 LEU 106 8.618 -5.476 15.429 821 HD21 LEU 106 1HD2 LEU 106 5.584 -5.384 14.949 822 HD22 LEU 106 2HD2 LEU 106 6.486 -6.847 14.555 823 HD23 LEU 106 3HD2 LEU 106 5.505 -6.056 13.320 824 H LYS 107 H LYS 107 3.951 -4.494 13.397 825 HA LYS 107 HA LYS 107 2.188 -3.399 15.339 826 HB2 LYS 107 1HB LYS 107 1.383 -4.643 13.378 827 HB3 LYS 107 2HB LYS 107 2.143 -6.106 13.991 828 HG2 LYS 107 1HG LYS 107 0.669 -6.011 15.964 829 HG3 LYS 107 2HG LYS 107 -0.128 -4.597 15.270 830 HD2 LYS 107 1HD LYS 107 -0.951 -5.862 13.432 831 HD3 LYS 107 2HD LYS 107 0.061 -7.246 13.849 832 HE2 LYS 107 1HE LYS 107 -2.204 -7.695 14.526 833 HE3 LYS 107 2HE LYS 107 -1.206 -7.479 15.963 834 HZ1 LYS 107 1HZ LYS 107 -3.527 -6.098 15.254 835 HZ2 LYS 107 2HZ LYS 107 -2.252 -4.988 15.216 836 HZ3 LYS 107 3HZ LYS 107 -2.558 -5.875 16.623 837 H GLU 108 H GLU 108 1.742 -4.018 17.408 838 HA GLU 108 HA GLU 108 3.800 -5.432 18.816 839 HB2 GLU 108 1HB GLU 108 2.529 -3.456 19.721 840 HB3 GLU 108 2HB GLU 108 1.131 -4.509 19.885 841 HG2 GLU 108 1HG GLU 108 2.264 -5.877 21.484 842 HG3 GLU 108 2HG GLU 108 3.780 -5.018 21.215 843 H ARG 109 H ARG 109 3.867 -7.573 18.358 844 HA ARG 109 HA ARG 109 1.505 -9.178 18.118 845 HB2 ARG 109 1HB ARG 109 3.158 -11.078 18.052 846 HB3 ARG 109 2HB ARG 109 3.394 -9.841 16.825 847 HG2 ARG 109 1HG ARG 109 5.308 -9.015 17.842 848 HG3 ARG 109 2HG ARG 109 4.905 -9.734 19.402 849 HD2 ARG 109 1HD ARG 109 5.201 -11.986 18.306 850 HD3 ARG 109 2HD ARG 109 5.865 -11.131 16.914 851 HE ARG 109 HE ARG 109 7.794 -10.736 18.105 852 HH11 ARG 109 2HH1 ARG 109 5.321 -11.949 20.234 853 HH12 ARG 109 1HH1 ARG 109 6.404 -12.193 21.564 854 HH21 ARG 109 2HH2 ARG 109 9.229 -11.052 19.849 855 HH22 ARG 109 1HH2 ARG 109 8.626 -11.682 21.345 856 H SER 110 H SER 110 0.592 -10.546 19.577 857 HA SER 110 HA SER 110 1.071 -10.040 22.345 858 HB2 SER 110 1HB SER 110 -0.730 -11.652 22.743 859 HB3 SER 110 2HB SER 110 -1.184 -10.526 21.464 860 HG SER 110 HG SER 110 -1.387 -12.168 20.186 861 H GLY 111 H GLY 111 1.597 -12.835 20.216 862 HA2 GLY 111 1HA GLY 111 3.792 -13.705 21.897 863 HA3 GLY 111 2HA GLY 111 2.412 -14.793 21.873 864 HA PRO 112 HA PRO 112 5.381 -15.437 18.202 865 HB2 PRO 112 1HB PRO 112 6.615 -17.692 19.077 866 HB3 PRO 112 2HB PRO 112 7.238 -16.070 19.399 867 HG2 PRO 112 1HG PRO 112 5.640 -17.873 21.176 868 HG3 PRO 112 2HG PRO 112 7.048 -16.870 21.574 869 HD2 PRO 112 1HD PRO 112 4.513 -16.115 22.150 870 HD3 PRO 112 2HD PRO 112 5.789 -14.948 21.747 871 H SER 113 H SER 113 3.357 -15.917 17.188 872 HA SER 113 HA SER 113 2.056 -18.435 17.619 873 HB2 SER 113 1HB SER 113 1.725 -16.340 15.461 874 HB3 SER 113 2HB SER 113 0.706 -17.772 15.613 875 HG SER 113 HG SER 113 -0.417 -16.576 16.920 876 H SER 114 H SER 114 3.941 -17.062 14.925 877 HA SER 114 HA SER 114 4.218 -19.741 13.782 878 HB2 SER 114 1HB SER 114 5.085 -18.598 11.793 879 HB3 SER 114 2HB SER 114 3.533 -17.914 12.275 880 HG SER 114 HG SER 114 4.845 -16.292 13.420 881 H GLY 115 H GLY 115 6.062 -20.876 13.850 882 HA2 GLY 115 1HA GLY 115 8.404 -19.565 15.072 883 HA3 GLY 115 2HA GLY 115 8.040 -21.280 15.189 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.412 27.499 18.825 2 HA2 GLY 1 1HA GLY 1 -7.163 27.063 19.014 3 HA3 GLY 1 2HA GLY 1 -7.348 27.690 20.645 4 H SER 2 H SER 2 -6.680 24.964 18.750 5 HA SER 2 HA SER 2 -7.189 23.089 20.933 6 HB2 SER 2 1HB SER 2 -6.268 22.628 18.087 7 HB3 SER 2 2HB SER 2 -6.556 21.350 19.268 8 HG SER 2 HG SER 2 -8.587 23.212 18.772 9 H SER 3 H SER 3 -4.496 24.024 18.796 10 HA SER 3 HA SER 3 -2.238 23.584 19.001 11 HB2 SER 3 1HB SER 3 -1.267 24.964 20.652 12 HB3 SER 3 2HB SER 3 -2.825 25.717 20.314 13 HG SER 3 HG SER 3 -1.914 24.479 22.605 14 H GLY 4 H GLY 4 -3.634 21.251 19.577 15 HA2 GLY 4 1HA GLY 4 -1.815 20.043 21.541 16 HA3 GLY 4 2HA GLY 4 -3.543 19.790 21.730 17 H SER 5 H SER 5 -3.607 17.615 21.384 18 HA SER 5 HA SER 5 -2.439 16.568 18.911 19 HB2 SER 5 1HB SER 5 -2.075 15.463 21.198 20 HB3 SER 5 2HB SER 5 -3.752 14.933 21.078 21 HG SER 5 HG SER 5 -2.108 14.461 18.882 22 H SER 6 H SER 6 -3.645 16.095 17.196 23 HA SER 6 HA SER 6 -6.570 16.128 17.508 24 HB2 SER 6 1HB SER 6 -4.811 16.746 15.128 25 HB3 SER 6 2HB SER 6 -6.564 16.587 15.021 26 HG SER 6 HG SER 6 -5.567 18.288 16.983 27 H GLY 7 H GLY 7 -7.725 14.781 15.780 28 HA2 GLY 7 1HA GLY 7 -6.957 12.714 14.327 29 HA3 GLY 7 2HA GLY 7 -6.614 12.082 15.930 30 H THR 8 H THR 8 -9.266 13.733 14.211 31 HA THR 8 HA THR 8 -11.161 12.027 15.677 32 HB THR 8 HB THR 8 -11.751 14.576 14.163 33 HG1 THR 8 1HG THR 8 -11.870 14.391 16.962 34 HG21 THR 8 1HG2 THR 8 -13.505 13.367 16.259 35 HG22 THR 8 2HG2 THR 8 -13.552 12.730 14.615 36 HG23 THR 8 3HG2 THR 8 -13.929 14.426 14.915 37 H GLU 9 H GLU 9 -10.737 13.483 12.446 38 HA GLU 9 HA GLU 9 -11.240 12.726 10.361 39 HB2 GLU 9 1HB GLU 9 -11.109 10.061 11.775 40 HB3 GLU 9 2HB GLU 9 -11.294 10.233 10.035 41 HG2 GLU 9 1HG GLU 9 -9.002 9.815 10.488 42 HG3 GLU 9 2HG GLU 9 -9.155 11.502 9.998 43 H ASP 10 H ASP 10 -13.355 13.693 11.852 44 HA ASP 10 HA ASP 10 -15.578 11.870 11.239 45 HB2 ASP 10 1HB ASP 10 -15.366 12.738 13.581 46 HB3 ASP 10 2HB ASP 10 -15.641 14.360 12.952 47 H SER 11 H SER 11 -14.601 15.275 10.952 48 HA SER 11 HA SER 11 -16.739 15.783 9.050 49 HB2 SER 11 1HB SER 11 -16.004 17.433 10.848 50 HB3 SER 11 2HB SER 11 -14.559 17.704 9.874 51 HG SER 11 HG SER 11 -17.227 18.040 8.962 52 H LEU 12 H LEU 12 -15.084 13.873 8.047 53 HA LEU 12 HA LEU 12 -13.261 15.218 6.194 54 HB2 LEU 12 1HB LEU 12 -13.640 12.373 7.048 55 HB3 LEU 12 2HB LEU 12 -12.759 12.759 5.571 56 HG LEU 12 HG LEU 12 -11.966 13.954 8.207 57 HD11 LEU 12 1HD1 LEU 12 -11.882 11.682 8.750 58 HD12 LEU 12 2HD1 LEU 12 -10.243 12.067 8.227 59 HD13 LEU 12 3HD1 LEU 12 -11.340 11.222 7.136 60 HD21 LEU 12 1HD2 LEU 12 -10.898 15.018 6.413 61 HD22 LEU 12 2HD2 LEU 12 -10.657 13.504 5.541 62 HD23 LEU 12 3HD2 LEU 12 -9.720 13.842 6.997 63 H MET 13 H MET 13 -13.786 15.578 4.140 64 HA MET 13 HA MET 13 -16.283 15.344 3.067 65 HB2 MET 13 1HB MET 13 -13.582 15.730 1.984 66 HB3 MET 13 2HB MET 13 -14.723 15.053 0.830 67 HG2 MET 13 1HG MET 13 -14.500 17.570 0.877 68 HG3 MET 13 2HG MET 13 -16.134 16.913 0.958 69 HE1 MET 13 1HE MET 13 -13.855 18.104 4.732 70 HE2 MET 13 2HE MET 13 -13.251 17.197 3.345 71 HE3 MET 13 3HE MET 13 -13.356 18.957 3.271 72 HA PRO 14 HA PRO 14 -17.093 11.209 1.846 73 HB2 PRO 14 1HB PRO 14 -18.086 11.456 -0.668 74 HB3 PRO 14 2HB PRO 14 -18.979 11.961 0.771 75 HG2 PRO 14 1HG PRO 14 -17.385 13.617 -1.146 76 HG3 PRO 14 2HG PRO 14 -18.965 13.959 -0.418 77 HD2 PRO 14 1HD PRO 14 -16.669 15.058 0.503 78 HD3 PRO 14 2HD PRO 14 -18.037 14.673 1.567 79 H GLU 15 H GLU 15 -16.976 9.865 -0.494 80 HA GLU 15 HA GLU 15 -14.108 9.932 -1.146 81 HB2 GLU 15 1HB GLU 15 -15.078 7.874 -0.026 82 HB3 GLU 15 2HB GLU 15 -15.981 7.595 -1.509 83 HG2 GLU 15 1HG GLU 15 -13.930 7.376 -2.763 84 HG3 GLU 15 2HG GLU 15 -12.982 7.765 -1.329 85 H GLU 16 H GLU 16 -17.345 9.688 -2.506 86 HA GLU 16 HA GLU 16 -16.630 9.283 -5.189 87 HB2 GLU 16 1HB GLU 16 -18.883 8.911 -4.730 88 HB3 GLU 16 2HB GLU 16 -19.047 10.408 -3.822 89 HG2 GLU 16 1HG GLU 16 -19.349 11.678 -5.692 90 HG3 GLU 16 2HG GLU 16 -18.427 10.582 -6.720 91 H GLU 17 H GLU 17 -17.824 12.335 -3.777 92 HA GLU 17 HA GLU 17 -17.024 13.959 -5.905 93 HB2 GLU 17 1HB GLU 17 -17.511 14.592 -2.995 94 HB3 GLU 17 2HB GLU 17 -17.172 15.828 -4.199 95 HG2 GLU 17 1HG GLU 17 -19.158 15.211 -5.437 96 HG3 GLU 17 2HG GLU 17 -19.483 13.903 -4.302 97 H PHE 18 H PHE 18 -15.372 13.207 -2.856 98 HA PHE 18 HA PHE 18 -13.236 14.804 -2.794 99 HB2 PHE 18 1HB PHE 18 -13.229 13.147 -1.159 100 HB3 PHE 18 2HB PHE 18 -13.431 11.849 -2.332 101 HD1 PHE 18 2HD PHE 18 -11.009 14.302 -0.995 102 HD2 PHE 18 1HD PHE 18 -11.578 10.723 -3.227 103 HE1 PHE 18 2HE PHE 18 -8.583 13.897 -0.958 104 HE2 PHE 18 1HE PHE 18 -9.153 10.312 -3.193 105 HZ PHE 18 HZ PHE 18 -7.651 11.901 -2.058 106 H LEU 19 H LEU 19 -13.491 11.992 -4.950 107 HA LEU 19 HA LEU 19 -10.980 12.287 -6.178 108 HB2 LEU 19 1HB LEU 19 -13.492 11.126 -7.372 109 HB3 LEU 19 2HB LEU 19 -11.841 10.833 -7.915 110 HG LEU 19 HG LEU 19 -12.861 10.026 -5.197 111 HD11 LEU 19 1HD1 LEU 19 -12.438 8.057 -7.384 112 HD12 LEU 19 2HD1 LEU 19 -13.940 8.980 -7.361 113 HD13 LEU 19 3HD1 LEU 19 -13.500 7.978 -5.978 114 HD21 LEU 19 1HD2 LEU 19 -10.587 9.984 -4.996 115 HD22 LEU 19 2HD2 LEU 19 -10.327 9.693 -6.717 116 HD23 LEU 19 3HD2 LEU 19 -10.856 8.375 -5.669 117 H ARG 20 H ARG 20 -14.184 13.516 -7.069 118 HA ARG 20 HA ARG 20 -13.508 14.673 -9.516 119 HB2 ARG 20 1HB ARG 20 -15.524 15.771 -7.553 120 HB3 ARG 20 2HB ARG 20 -15.515 15.983 -9.298 121 HG2 ARG 20 1HG ARG 20 -15.884 13.558 -9.563 122 HG3 ARG 20 2HG ARG 20 -15.986 13.411 -7.807 123 HD2 ARG 20 1HD ARG 20 -17.987 14.585 -7.700 124 HD3 ARG 20 2HD ARG 20 -17.739 15.344 -9.271 125 HE ARG 20 HE ARG 20 -18.051 12.479 -9.363 126 HH11 ARG 20 2HH1 ARG 20 -19.660 15.565 -9.436 127 HH12 ARG 20 1HH1 ARG 20 -21.061 14.962 -10.258 128 HH21 ARG 20 2HH2 ARG 20 -19.889 11.673 -10.446 129 HH22 ARG 20 1HH2 ARG 20 -21.191 12.748 -10.831 130 H ARG 21 H ARG 21 -13.073 15.826 -6.236 131 HA ARG 21 HA ARG 21 -12.387 18.502 -6.967 132 HB2 ARG 21 1HB ARG 21 -11.785 16.996 -4.414 133 HB3 ARG 21 2HB ARG 21 -11.676 18.737 -4.637 134 HG2 ARG 21 1HG ARG 21 -14.012 18.962 -4.829 135 HG3 ARG 21 2HG ARG 21 -14.238 17.223 -5.028 136 HD2 ARG 21 1HD ARG 21 -14.886 17.747 -2.808 137 HD3 ARG 21 2HD ARG 21 -13.318 16.948 -2.704 138 HE ARG 21 HE ARG 21 -12.399 18.903 -1.917 139 HH11 ARG 21 2HH1 ARG 21 -15.597 19.518 -3.147 140 HH12 ARG 21 1HH1 ARG 21 -15.674 21.128 -2.511 141 HH21 ARG 21 2HH2 ARG 21 -12.487 21.021 -1.075 142 HH22 ARG 21 1HH2 ARG 21 -13.904 21.982 -1.333 143 H ASN 22 H ASN 22 -10.302 16.176 -5.267 144 HA ASN 22 HA ASN 22 -7.937 17.385 -6.338 145 HB2 ASN 22 1HB ASN 22 -6.968 15.153 -5.230 146 HB3 ASN 22 2HB ASN 22 -7.446 16.548 -4.267 147 HD21 ASN 22 1HD2 ASN 22 -9.781 16.536 -3.583 148 HD22 ASN 22 2HD2 ASN 22 -10.426 15.025 -3.047 149 H LYS 23 H LYS 23 -6.244 16.120 -7.457 150 HA LYS 23 HA LYS 23 -7.225 13.920 -9.104 151 HB2 LYS 23 1HB LYS 23 -5.770 16.134 -10.494 152 HB3 LYS 23 2HB LYS 23 -6.857 14.923 -11.162 153 HG2 LYS 23 1HG LYS 23 -8.748 16.091 -10.564 154 HG3 LYS 23 2HG LYS 23 -7.921 16.978 -9.280 155 HD2 LYS 23 1HD LYS 23 -8.147 18.611 -10.891 156 HD3 LYS 23 2HD LYS 23 -6.540 17.980 -11.259 157 HE2 LYS 23 1HE LYS 23 -7.265 16.873 -13.152 158 HE3 LYS 23 2HE LYS 23 -8.934 16.790 -12.589 159 HZ1 LYS 23 1HZ LYS 23 -7.782 18.684 -14.285 160 HZ2 LYS 23 2HZ LYS 23 -8.212 19.485 -12.859 161 HZ3 LYS 23 3HZ LYS 23 -9.378 18.619 -13.726 162 H GLY 24 H GLY 24 -5.783 12.356 -8.812 163 HA2 GLY 24 1HA GLY 24 -3.154 12.787 -7.852 164 HA3 GLY 24 2HA GLY 24 -3.785 11.271 -8.477 165 HA PRO 25 HA PRO 25 -2.082 10.145 -8.686 166 HB2 PRO 25 1HB PRO 25 0.618 9.878 -8.787 167 HB3 PRO 25 2HB PRO 25 -0.464 9.168 -9.992 168 HG2 PRO 25 1HG PRO 25 1.133 11.697 -10.135 169 HG3 PRO 25 2HG PRO 25 0.898 10.450 -11.374 170 HD2 PRO 25 1HD PRO 25 -0.474 12.785 -11.378 171 HD3 PRO 25 2HD PRO 25 -1.169 11.268 -11.984 172 H VAL 26 H VAL 26 -0.465 9.848 -6.759 173 HA VAL 26 HA VAL 26 0.095 12.469 -5.541 174 HB VAL 26 HB VAL 26 -0.654 11.597 -3.363 175 HG11 VAL 26 1HG1 VAL 26 -2.154 12.812 -5.077 176 HG12 VAL 26 2HG1 VAL 26 -2.935 11.242 -5.272 177 HG13 VAL 26 3HG1 VAL 26 -2.913 12.028 -3.693 178 HG21 VAL 26 1HG2 VAL 26 -0.364 9.143 -4.334 179 HG22 VAL 26 2HG2 VAL 26 -1.472 9.500 -3.009 180 HG23 VAL 26 3HG2 VAL 26 -2.087 9.342 -4.654 181 H SER 27 H SER 27 1.889 12.592 -4.223 182 HA SER 27 HA SER 27 3.710 10.295 -4.391 183 HB2 SER 27 1HB SER 27 4.643 12.284 -5.373 184 HB3 SER 27 2HB SER 27 4.236 13.241 -3.948 185 HG SER 27 HG SER 27 5.789 12.168 -2.792 186 H ILE 28 H ILE 28 3.472 9.040 -2.643 187 HA ILE 28 HA ILE 28 3.268 10.325 -0.006 188 HB ILE 28 HB ILE 28 2.425 8.215 0.841 189 HG12 ILE 28 1HG1 ILE 28 2.380 7.078 -1.936 190 HG13 ILE 28 2HG1 ILE 28 3.821 6.910 -0.940 191 HG21 ILE 28 1HG2 ILE 28 0.475 8.042 -1.046 192 HG22 ILE 28 2HG2 ILE 28 0.533 9.256 0.232 193 HG23 ILE 28 3HG2 ILE 28 1.145 9.639 -1.377 194 HD11 ILE 28 1HD1 ILE 28 1.912 6.081 0.784 195 HD12 ILE 28 2HD1 ILE 28 1.231 5.559 -0.757 196 HD13 ILE 28 3HD1 ILE 28 2.838 5.016 -0.275 197 H LYS 29 H LYS 29 4.600 9.665 1.702 198 HA LYS 29 HA LYS 29 7.044 8.246 0.868 199 HB2 LYS 29 1HB LYS 29 7.198 10.731 1.477 200 HB3 LYS 29 2HB LYS 29 6.888 10.226 3.132 201 HG2 LYS 29 1HG LYS 29 8.896 8.958 3.209 202 HG3 LYS 29 2HG LYS 29 9.154 9.150 1.474 203 HD2 LYS 29 1HD LYS 29 9.549 11.508 1.740 204 HD3 LYS 29 2HD LYS 29 9.111 11.431 3.448 205 HE2 LYS 29 1HE LYS 29 11.037 9.713 3.618 206 HE3 LYS 29 2HE LYS 29 11.558 10.383 2.073 207 HZ1 LYS 29 1HZ LYS 29 12.592 11.922 3.272 208 HZ2 LYS 29 2HZ LYS 29 11.797 11.483 4.699 209 HZ3 LYS 29 3HZ LYS 29 11.071 12.572 3.628 210 H VAL 30 H VAL 30 7.545 6.428 1.910 211 HA VAL 30 HA VAL 30 5.923 5.663 4.223 212 HB VAL 30 HB VAL 30 7.746 4.006 2.474 213 HG11 VAL 30 1HG1 VAL 30 7.830 2.720 4.329 214 HG12 VAL 30 2HG1 VAL 30 6.379 3.442 5.027 215 HG13 VAL 30 3HG1 VAL 30 6.236 2.204 3.778 216 HG21 VAL 30 1HG2 VAL 30 5.266 2.972 2.179 217 HG22 VAL 30 2HG2 VAL 30 4.882 4.679 2.401 218 HG23 VAL 30 3HG2 VAL 30 5.966 4.181 1.102 219 H GLN 31 H GLN 31 6.771 6.284 6.108 220 HA GLN 31 HA GLN 31 9.571 6.646 6.526 221 HB2 GLN 31 1HB GLN 31 7.638 7.856 7.698 222 HB3 GLN 31 2HB GLN 31 7.500 6.418 8.700 223 HG2 GLN 31 1HG GLN 31 10.006 8.058 8.421 224 HG3 GLN 31 2HG GLN 31 8.827 8.243 9.719 225 HE21 GLN 31 1HE2 GLN 31 11.518 6.516 8.571 226 HE22 GLN 31 2HE2 GLN 31 11.625 5.362 9.853 227 H VAL 32 H VAL 32 10.706 4.773 6.251 228 HA VAL 32 HA VAL 32 9.881 2.343 7.608 229 HB VAL 32 HB VAL 32 12.410 2.817 6.029 230 HG11 VAL 32 1HG1 VAL 32 12.135 0.811 7.626 231 HG12 VAL 32 2HG1 VAL 32 11.003 0.201 6.417 232 HG13 VAL 32 3HG1 VAL 32 12.683 0.509 5.978 233 HG21 VAL 32 1HG2 VAL 32 10.933 3.176 4.346 234 HG22 VAL 32 2HG2 VAL 32 10.885 1.414 4.338 235 HG23 VAL 32 3HG2 VAL 32 9.623 2.326 5.165 236 HA PRO 33 HA PRO 33 12.248 3.507 11.219 237 HB2 PRO 33 1HB PRO 33 11.596 1.306 12.668 238 HB3 PRO 33 2HB PRO 33 10.498 2.675 12.453 239 HG2 PRO 33 1HG PRO 33 10.559 0.051 11.013 240 HG3 PRO 33 2HG PRO 33 9.165 0.953 11.636 241 HD2 PRO 33 1HD PRO 33 9.874 0.989 9.023 242 HD3 PRO 33 2HD PRO 33 9.122 2.381 9.828 243 H ASN 34 H ASN 34 13.702 2.056 12.748 244 HA ASN 34 HA ASN 34 15.448 0.462 10.989 245 HB2 ASN 34 1HB ASN 34 16.855 2.180 11.552 246 HB3 ASN 34 2HB ASN 34 16.027 2.502 13.073 247 HD21 ASN 34 1HD2 ASN 34 18.721 1.148 11.626 248 HD22 ASN 34 2HD2 ASN 34 19.344 0.288 12.989 249 H MET 35 H MET 35 15.355 -1.636 11.409 250 HA MET 35 HA MET 35 14.752 -2.509 14.152 251 HB2 MET 35 1HB MET 35 14.222 -3.690 11.456 252 HB3 MET 35 2HB MET 35 14.376 -4.761 12.842 253 HG2 MET 35 1HG MET 35 12.425 -2.482 12.597 254 HG3 MET 35 2HG MET 35 12.051 -4.189 12.371 255 HE1 MET 35 1HE MET 35 10.830 -2.037 15.492 256 HE2 MET 35 2HE MET 35 12.500 -1.559 15.793 257 HE3 MET 35 3HE MET 35 11.813 -1.392 14.177 258 H GLN 36 H GLN 36 16.593 -2.860 15.230 259 HA GLN 36 HA GLN 36 18.877 -4.046 13.847 260 HB2 GLN 36 1HB GLN 36 18.503 -2.466 16.335 261 HB3 GLN 36 2HB GLN 36 19.823 -3.628 16.318 262 HG2 GLN 36 1HG GLN 36 19.410 -1.408 14.328 263 HG3 GLN 36 2HG GLN 36 20.565 -1.404 15.659 264 HE21 GLN 36 1HE2 GLN 36 22.296 -2.936 15.603 265 HE22 GLN 36 2HE2 GLN 36 22.872 -3.541 14.090 266 H ASP 37 H ASP 37 16.220 -5.165 15.353 267 HA ASP 37 HA ASP 37 17.352 -7.156 17.073 268 HB2 ASP 37 1HB ASP 37 15.050 -6.236 17.352 269 HB3 ASP 37 2HB ASP 37 14.579 -7.062 15.869 270 H LYS 38 H LYS 38 18.679 -7.326 14.688 271 HA LYS 38 HA LYS 38 19.058 -8.628 12.806 272 HB2 LYS 38 1HB LYS 38 18.695 -10.568 15.090 273 HB3 LYS 38 2HB LYS 38 19.346 -11.037 13.525 274 HG2 LYS 38 1HG LYS 38 21.001 -9.042 13.997 275 HG3 LYS 38 2HG LYS 38 20.562 -9.383 15.672 276 HD2 LYS 38 1HD LYS 38 21.081 -11.842 15.061 277 HD3 LYS 38 2HD LYS 38 21.935 -11.152 13.679 278 HE2 LYS 38 1HE LYS 38 22.484 -10.065 16.398 279 HE3 LYS 38 2HE LYS 38 23.172 -11.627 15.956 280 HZ1 LYS 38 1HZ LYS 38 24.622 -9.676 15.491 281 HZ2 LYS 38 2HZ LYS 38 23.506 -9.173 14.324 282 HZ3 LYS 38 3HZ LYS 38 24.315 -10.648 14.140 283 H THR 39 H THR 39 16.605 -7.845 12.345 284 HA THR 39 HA THR 39 14.882 -10.188 12.024 285 HB THR 39 HB THR 39 13.725 -8.304 12.934 286 HG1 THR 39 1HG THR 39 13.131 -8.564 10.155 287 HG21 THR 39 1HG2 THR 39 13.578 -6.154 11.672 288 HG22 THR 39 2HG2 THR 39 14.839 -6.755 10.595 289 HG23 THR 39 3HG2 THR 39 15.186 -6.503 12.305 290 H GLU 40 H GLU 40 13.825 -10.585 9.968 291 HA GLU 40 HA GLU 40 15.684 -10.271 7.763 292 HB2 GLU 40 1HB GLU 40 14.189 -11.827 6.575 293 HB3 GLU 40 2HB GLU 40 14.698 -12.462 8.133 294 HG2 GLU 40 1HG GLU 40 12.595 -12.106 9.094 295 HG3 GLU 40 2HG GLU 40 12.088 -11.030 7.794 296 H TRP 41 H TRP 41 14.338 -7.900 8.684 297 HA TRP 41 HA TRP 41 12.735 -7.264 6.293 298 HB2 TRP 41 1HB TRP 41 12.511 -5.959 9.013 299 HB3 TRP 41 2HB TRP 41 11.493 -5.650 7.609 300 HD1 TRP 41 HD TRP 41 11.158 -8.858 6.915 301 HE1 TRP 41 1HE TRP 41 9.493 -10.201 8.347 302 HE3 TRP 41 3HE TRP 41 10.897 -5.762 10.976 303 HZ2 TRP 41 2HZ TRP 41 8.236 -9.978 10.865 304 HZ3 TRP 41 3HZ TRP 41 9.440 -6.400 12.853 305 HH2 TRP 41 HH TRP 41 8.138 -8.464 12.797 306 H LYS 42 H LYS 42 13.504 -5.722 5.003 307 HA LYS 42 HA LYS 42 16.012 -4.491 5.525 308 HB2 LYS 42 1HB LYS 42 13.950 -4.079 3.361 309 HB3 LYS 42 2HB LYS 42 15.473 -3.202 3.405 310 HG2 LYS 42 1HG LYS 42 16.563 -5.532 3.502 311 HG3 LYS 42 2HG LYS 42 14.993 -6.119 2.949 312 HD2 LYS 42 1HD LYS 42 15.260 -4.252 1.139 313 HD3 LYS 42 2HD LYS 42 16.973 -4.374 1.546 314 HE2 LYS 42 1HE LYS 42 15.283 -6.754 0.814 315 HE3 LYS 42 2HE LYS 42 16.180 -5.812 -0.376 316 HZ1 LYS 42 1HZ LYS 42 17.341 -7.265 1.940 317 HZ2 LYS 42 2HZ LYS 42 18.219 -6.313 0.852 318 HZ3 LYS 42 3HZ LYS 42 17.454 -7.723 0.315 319 H LEU 43 H LEU 43 15.195 -3.570 7.647 320 HA LEU 43 HA LEU 43 14.002 -0.914 7.194 321 HB2 LEU 43 1HB LEU 43 14.005 -2.414 9.799 322 HB3 LEU 43 2HB LEU 43 13.071 -0.980 9.374 323 HG LEU 43 HG LEU 43 12.644 -3.646 8.045 324 HD11 LEU 43 1HD1 LEU 43 12.270 -3.997 10.395 325 HD12 LEU 43 2HD1 LEU 43 10.714 -3.905 9.571 326 HD13 LEU 43 3HD1 LEU 43 11.303 -2.526 10.500 327 HD21 LEU 43 1HD2 LEU 43 10.787 -1.297 8.361 328 HD22 LEU 43 2HD2 LEU 43 10.573 -2.716 7.334 329 HD23 LEU 43 3HD2 LEU 43 11.829 -1.535 6.958 330 H ASN 44 H ASN 44 15.733 0.400 6.996 331 HA ASN 44 HA ASN 44 17.558 0.533 9.292 332 HB2 ASN 44 1HB ASN 44 18.304 0.446 6.374 333 HB3 ASN 44 2HB ASN 44 19.376 1.149 7.582 334 HD21 ASN 44 1HD2 ASN 44 20.604 -0.155 8.797 335 HD22 ASN 44 2HD2 ASN 44 20.566 -1.881 8.736 336 H GLY 45 H GLY 45 15.739 2.210 9.619 337 HA2 GLY 45 1HA GLY 45 14.939 4.387 9.426 338 HA3 GLY 45 2HA GLY 45 16.639 4.726 9.718 339 H GLN 46 H GLN 46 14.150 4.412 7.272 340 HA GLN 46 HA GLN 46 15.532 6.317 5.602 341 HB2 GLN 46 1HB GLN 46 15.592 4.920 3.609 342 HB3 GLN 46 2HB GLN 46 16.552 4.195 4.892 343 HG2 GLN 46 1HG GLN 46 14.716 2.660 5.396 344 HG3 GLN 46 2HG GLN 46 13.767 3.380 4.096 345 HE21 GLN 46 1HE2 GLN 46 14.497 0.647 4.318 346 HE22 GLN 46 2HE2 GLN 46 15.496 0.261 2.962 347 H GLY 47 H GLY 47 14.148 6.301 3.342 348 HA2 GLY 47 1HA GLY 47 11.299 6.175 4.078 349 HA3 GLY 47 2HA GLY 47 11.967 7.666 3.430 350 H LEU 48 H LEU 48 10.094 5.224 2.581 351 HA LEU 48 HA LEU 48 11.196 4.984 -0.138 352 HB2 LEU 48 1HB LEU 48 9.148 3.240 1.221 353 HB3 LEU 48 2HB LEU 48 9.846 2.982 -0.376 354 HG LEU 48 HG LEU 48 11.355 2.849 2.234 355 HD11 LEU 48 1HD1 LEU 48 9.700 1.017 1.849 356 HD12 LEU 48 2HD1 LEU 48 11.376 0.481 1.954 357 HD13 LEU 48 3HD1 LEU 48 10.586 0.602 0.382 358 HD21 LEU 48 1HD2 LEU 48 12.303 3.331 -0.337 359 HD22 LEU 48 2HD2 LEU 48 12.584 1.611 -0.068 360 HD23 LEU 48 3HD2 LEU 48 13.241 2.799 1.059 361 H VAL 49 H VAL 49 10.286 6.311 -1.552 362 HA VAL 49 HA VAL 49 7.545 7.237 -1.117 363 HB VAL 49 HB VAL 49 9.600 8.191 -3.116 364 HG11 VAL 49 1HG1 VAL 49 7.874 9.169 -4.122 365 HG12 VAL 49 2HG1 VAL 49 6.767 8.683 -2.837 366 HG13 VAL 49 3HG1 VAL 49 7.698 10.174 -2.684 367 HG21 VAL 49 1HG2 VAL 49 8.792 10.018 -0.996 368 HG22 VAL 49 2HG2 VAL 49 9.607 8.575 -0.392 369 HG23 VAL 49 3HG2 VAL 49 10.404 9.605 -1.581 370 H PHE 50 H PHE 50 5.900 6.945 -2.581 371 HA PHE 50 HA PHE 50 6.448 5.408 -5.008 372 HB2 PHE 50 1HB PHE 50 4.208 4.593 -3.164 373 HB3 PHE 50 2HB PHE 50 4.859 3.714 -4.543 374 HD1 PHE 50 1HD PHE 50 7.628 3.507 -4.196 375 HD2 PHE 50 2HD PHE 50 4.614 3.514 -1.191 376 HE1 PHE 50 1HE PHE 50 9.126 2.258 -2.695 377 HE2 PHE 50 2HE PHE 50 6.107 2.267 0.315 378 HZ PHE 50 HZ PHE 50 8.367 1.638 -0.436 379 H THR 51 H THR 51 5.563 6.473 -6.637 380 HA THR 51 HA THR 51 3.438 8.386 -6.175 381 HB THR 51 HB THR 51 3.709 8.603 -8.784 382 HG1 THR 51 1HG THR 51 5.952 8.057 -9.312 383 HG21 THR 51 1HG2 THR 51 5.830 9.492 -6.826 384 HG22 THR 51 2HG2 THR 51 4.330 10.341 -7.201 385 HG23 THR 51 3HG2 THR 51 5.580 10.171 -8.434 386 H LEU 52 H LEU 52 1.491 7.443 -5.884 387 HA LEU 52 HA LEU 52 0.413 5.910 -8.127 388 HB2 LEU 52 1HB LEU 52 -0.098 5.025 -5.306 389 HB3 LEU 52 2HB LEU 52 -0.437 4.163 -6.805 390 HG LEU 52 HG LEU 52 2.399 4.750 -6.097 391 HD11 LEU 52 1HD1 LEU 52 2.453 2.576 -4.862 392 HD12 LEU 52 2HD1 LEU 52 0.690 2.619 -4.831 393 HD13 LEU 52 3HD1 LEU 52 1.617 3.882 -4.021 394 HD21 LEU 52 1HD2 LEU 52 2.800 2.707 -7.300 395 HD22 LEU 52 2HD2 LEU 52 1.746 3.740 -8.266 396 HD23 LEU 52 3HD2 LEU 52 1.071 2.369 -7.384 397 HA PRO 53 HA PRO 53 -2.986 8.651 -7.505 398 HB2 PRO 53 1HB PRO 53 -4.838 7.316 -8.974 399 HB3 PRO 53 2HB PRO 53 -3.516 8.237 -9.702 400 HG2 PRO 53 1HG PRO 53 -3.736 5.289 -9.230 401 HG3 PRO 53 2HG PRO 53 -3.131 6.152 -10.656 402 HD2 PRO 53 1HD PRO 53 -1.482 5.066 -8.803 403 HD3 PRO 53 2HD PRO 53 -1.068 6.539 -9.703 404 H LEU 54 H LEU 54 -5.115 8.724 -6.563 405 HA LEU 54 HA LEU 54 -5.443 6.750 -4.467 406 HB2 LEU 54 1HB LEU 54 -7.188 9.138 -5.002 407 HB3 LEU 54 2HB LEU 54 -6.997 8.252 -3.490 408 HG LEU 54 HG LEU 54 -4.618 9.633 -4.631 409 HD11 LEU 54 1HD1 LEU 54 -5.590 11.559 -3.020 410 HD12 LEU 54 2HD1 LEU 54 -7.087 10.961 -3.734 411 HD13 LEU 54 3HD1 LEU 54 -5.790 11.550 -4.773 412 HD21 LEU 54 1HD2 LEU 54 -5.438 8.409 -2.155 413 HD22 LEU 54 2HD2 LEU 54 -4.902 10.069 -1.890 414 HD23 LEU 54 3HD2 LEU 54 -3.832 8.912 -2.682 415 H THR 55 H THR 55 -6.097 4.936 -5.697 416 HA THR 55 HA THR 55 -8.896 5.085 -6.603 417 HB THR 55 HB THR 55 -8.273 3.209 -8.220 418 HG1 THR 55 1HG THR 55 -6.264 2.574 -8.029 419 HG21 THR 55 1HG2 THR 55 -6.908 5.123 -9.626 420 HG22 THR 55 2HG2 THR 55 -7.779 6.087 -8.434 421 HG23 THR 55 3HG2 THR 55 -8.663 5.007 -9.510 422 H ASP 56 H ASP 56 -6.343 2.755 -5.717 423 HA ASP 56 HA ASP 56 -8.317 0.884 -4.724 424 HB2 ASP 56 1HB ASP 56 -5.354 0.843 -5.124 425 HB3 ASP 56 2HB ASP 56 -6.076 -0.315 -4.011 426 H GLN 57 H GLN 57 -7.326 -0.242 -2.535 427 HA GLN 57 HA GLN 57 -7.540 1.894 -0.547 428 HB2 GLN 57 1HB GLN 57 -7.731 -1.090 -0.119 429 HB3 GLN 57 2HB GLN 57 -8.171 0.173 1.024 430 HG2 GLN 57 1HG GLN 57 -9.975 0.888 -0.450 431 HG3 GLN 57 2HG GLN 57 -9.529 -0.363 -1.608 432 HE21 GLN 57 1HE2 GLN 57 -12.050 -0.358 -0.763 433 HE22 GLN 57 2HE2 GLN 57 -12.347 -1.655 0.339 434 H VAL 58 H VAL 58 -6.318 1.386 1.569 435 HA VAL 58 HA VAL 58 -3.615 1.710 1.195 436 HB VAL 58 HB VAL 58 -5.065 0.553 3.574 437 HG11 VAL 58 1HG1 VAL 58 -2.172 1.297 3.236 438 HG12 VAL 58 2HG1 VAL 58 -2.957 1.234 4.815 439 HG13 VAL 58 3HG1 VAL 58 -2.852 -0.221 3.822 440 HG21 VAL 58 1HG2 VAL 58 -3.807 3.257 3.443 441 HG22 VAL 58 2HG2 VAL 58 -5.379 2.990 2.689 442 HG23 VAL 58 3HG2 VAL 58 -5.168 2.697 4.415 443 H SER 59 H SER 59 -5.430 -1.169 0.924 444 HA SER 59 HA SER 59 -3.590 -3.131 1.645 445 HB2 SER 59 1HB SER 59 -4.866 -4.645 0.259 446 HB3 SER 59 2HB SER 59 -5.987 -3.526 1.035 447 HG SER 59 HG SER 59 -5.426 -3.884 -1.617 448 H VAL 60 H VAL 60 -3.697 -1.057 -1.134 449 HA VAL 60 HA VAL 60 -1.848 -2.607 -2.703 450 HB VAL 60 HB VAL 60 -1.765 -0.547 -4.145 451 HG11 VAL 60 1HG1 VAL 60 -4.019 -0.837 -5.020 452 HG12 VAL 60 2HG1 VAL 60 -3.319 -2.394 -4.574 453 HG13 VAL 60 3HG1 VAL 60 -4.511 -1.629 -3.523 454 HG21 VAL 60 1HG2 VAL 60 -4.122 0.678 -3.040 455 HG22 VAL 60 2HG2 VAL 60 -2.816 0.668 -1.854 456 HG23 VAL 60 3HG2 VAL 60 -2.565 1.404 -3.437 457 H ILE 61 H ILE 61 -1.615 -0.295 -0.191 458 HA ILE 61 HA ILE 61 0.990 0.701 -0.870 459 HB ILE 61 HB ILE 61 -0.506 0.830 1.751 460 HG12 ILE 61 1HG1 ILE 61 -0.163 2.975 -0.350 461 HG13 ILE 61 2HG1 ILE 61 -1.585 1.943 -0.238 462 HG21 ILE 61 1HG2 ILE 61 1.232 2.965 1.637 463 HG22 ILE 61 2HG2 ILE 61 1.455 1.493 2.581 464 HG23 ILE 61 3HG2 ILE 61 2.179 1.631 0.979 465 HD11 ILE 61 1HD1 ILE 61 -0.616 3.779 1.939 466 HD12 ILE 61 2HD1 ILE 61 -1.909 4.146 0.796 467 HD13 ILE 61 3HD1 ILE 61 -2.097 2.821 1.945 468 H LYS 62 H LYS 62 -0.264 -2.026 0.845 469 HA LYS 62 HA LYS 62 2.132 -2.585 2.326 470 HB2 LYS 62 1HB LYS 62 -0.186 -4.421 1.693 471 HB3 LYS 62 2HB LYS 62 1.036 -4.672 2.933 472 HG2 LYS 62 1HG LYS 62 0.166 -2.355 3.807 473 HG3 LYS 62 2HG LYS 62 -1.278 -2.805 2.897 474 HD2 LYS 62 1HD LYS 62 -1.598 -4.759 4.186 475 HD3 LYS 62 2HD LYS 62 0.018 -4.653 4.887 476 HE2 LYS 62 1HE LYS 62 -0.581 -2.772 6.200 477 HE3 LYS 62 2HE LYS 62 -2.094 -2.554 5.322 478 HZ1 LYS 62 1HZ LYS 62 -1.721 -5.120 6.643 479 HZ2 LYS 62 2HZ LYS 62 -3.112 -4.170 6.496 480 HZ3 LYS 62 3HZ LYS 62 -1.946 -3.785 7.658 481 H VAL 63 H VAL 63 0.588 -3.952 -0.570 482 HA VAL 63 HA VAL 63 2.383 -5.975 -1.138 483 HB VAL 63 HB VAL 63 0.198 -5.301 -2.361 484 HG11 VAL 63 1HG1 VAL 63 1.412 -3.070 -3.027 485 HG12 VAL 63 2HG1 VAL 63 2.017 -4.051 -4.364 486 HG13 VAL 63 3HG1 VAL 63 0.280 -3.847 -4.133 487 HG21 VAL 63 1HG2 VAL 63 2.559 -6.308 -3.946 488 HG22 VAL 63 2HG2 VAL 63 1.563 -7.284 -2.868 489 HG23 VAL 63 3HG2 VAL 63 0.857 -6.576 -4.321 490 H LYS 64 H LYS 64 2.673 -2.527 -1.705 491 HA LYS 64 HA LYS 64 4.921 -2.630 -3.422 492 HB2 LYS 64 1HB LYS 64 3.966 -0.432 -1.578 493 HB3 LYS 64 2HB LYS 64 5.210 -0.238 -2.806 494 HG2 LYS 64 1HG LYS 64 2.440 -1.171 -3.483 495 HG3 LYS 64 2HG LYS 64 2.863 0.540 -3.385 496 HD2 LYS 64 1HD LYS 64 4.297 -1.458 -5.130 497 HD3 LYS 64 2HD LYS 64 2.980 -0.424 -5.688 498 HE2 LYS 64 1HE LYS 64 4.386 1.529 -4.845 499 HE3 LYS 64 2HE LYS 64 5.716 0.377 -4.736 500 HZ1 LYS 64 1HZ LYS 64 4.237 0.496 -7.252 501 HZ2 LYS 64 2HZ LYS 64 5.881 0.212 -6.978 502 HZ3 LYS 64 3HZ LYS 64 5.271 1.788 -6.900 503 H ILE 65 H ILE 65 4.597 -2.235 0.088 504 HA ILE 65 HA ILE 65 7.252 -1.790 0.744 505 HB ILE 65 HB ILE 65 5.187 -3.344 2.306 506 HG12 ILE 65 1HG1 ILE 65 6.053 -0.533 2.879 507 HG13 ILE 65 2HG1 ILE 65 4.874 -0.833 1.607 508 HG21 ILE 65 1HG2 ILE 65 6.543 -3.123 4.225 509 HG22 ILE 65 2HG2 ILE 65 7.604 -3.723 2.951 510 HG23 ILE 65 3HG2 ILE 65 7.651 -2.021 3.408 511 HD11 ILE 65 1HD1 ILE 65 3.359 -0.675 3.225 512 HD12 ILE 65 2HD1 ILE 65 3.881 -2.293 3.697 513 HD13 ILE 65 3HD1 ILE 65 4.565 -0.878 4.496 514 H HIS 66 H HIS 66 5.613 -4.950 1.012 515 HA HIS 66 HA HIS 66 7.796 -6.537 1.457 516 HB2 HIS 66 1HB HIS 66 5.375 -7.250 1.412 517 HB3 HIS 66 2HB HIS 66 5.506 -7.342 -0.342 518 HD1 HIS 66 1HD HIS 66 6.560 -9.413 -1.321 519 HD2 HIS 66 2HD HIS 66 6.955 -9.198 2.809 520 HE1 HIS 66 1HE HIS 66 7.457 -11.654 -0.614 521 HE2 HIS 66 2HE HIS 66 7.607 -11.529 1.898 522 H GLU 67 H GLU 67 6.776 -5.089 -1.551 523 HA GLU 67 HA GLU 67 8.270 -6.636 -3.345 524 HB2 GLU 67 1HB GLU 67 6.509 -4.650 -3.661 525 HB3 GLU 67 2HB GLU 67 7.988 -3.723 -3.870 526 HG2 GLU 67 1HG GLU 67 7.142 -6.129 -5.468 527 HG3 GLU 67 2HG GLU 67 7.143 -4.451 -6.009 528 H ALA 68 H ALA 68 9.098 -3.442 -1.984 529 HA ALA 68 HA ALA 68 11.822 -3.642 -2.869 530 HB1 ALA 68 1HB ALA 68 11.360 -1.626 -0.843 531 HB2 ALA 68 2HB ALA 68 11.855 -1.443 -2.527 532 HB3 ALA 68 3HB ALA 68 10.143 -1.567 -2.119 533 H THR 69 H THR 69 10.249 -3.596 0.330 534 HA THR 69 HA THR 69 12.722 -4.623 1.523 535 HB THR 69 HB THR 69 11.747 -4.069 3.685 536 HG1 THR 69 1HG THR 69 9.541 -4.472 3.145 537 HG21 THR 69 1HG2 THR 69 12.155 -1.837 3.539 538 HG22 THR 69 2HG2 THR 69 11.085 -1.621 2.154 539 HG23 THR 69 3HG2 THR 69 12.701 -2.289 1.925 540 H GLY 70 H GLY 70 12.638 -6.407 3.022 541 HA2 GLY 70 1HA GLY 70 10.889 -8.509 2.069 542 HA3 GLY 70 2HA GLY 70 12.210 -8.686 3.215 543 H MET 71 H MET 71 9.580 -6.370 3.516 544 HA MET 71 HA MET 71 8.836 -7.648 6.043 545 HB2 MET 71 1HB MET 71 9.365 -5.087 5.639 546 HB3 MET 71 2HB MET 71 7.676 -5.044 5.154 547 HG2 MET 71 1HG MET 71 7.001 -5.900 7.312 548 HG3 MET 71 2HG MET 71 8.686 -6.052 7.802 549 HE1 MET 71 1HE MET 71 8.551 -3.655 10.119 550 HE2 MET 71 2HE MET 71 6.805 -3.563 9.883 551 HE3 MET 71 3HE MET 71 7.631 -5.117 9.759 552 HA PRO 72 HA PRO 72 5.222 -9.363 4.138 553 HB2 PRO 72 1HB PRO 72 4.003 -10.175 6.424 554 HB3 PRO 72 2HB PRO 72 5.379 -11.027 5.715 555 HG2 PRO 72 1HG PRO 72 5.326 -9.067 7.977 556 HG3 PRO 72 2HG PRO 72 6.222 -10.591 7.838 557 HD2 PRO 72 1HD PRO 72 7.376 -8.178 7.416 558 HD3 PRO 72 2HD PRO 72 7.882 -9.642 6.550 559 H ALA 73 H ALA 73 2.929 -9.015 4.077 560 HA ALA 73 HA ALA 73 2.204 -6.302 4.855 561 HB1 ALA 73 1HB ALA 73 0.240 -6.657 3.402 562 HB2 ALA 73 2HB ALA 73 1.769 -6.928 2.565 563 HB3 ALA 73 3HB ALA 73 0.797 -8.302 3.091 564 H GLY 74 H GLY 74 2.423 -7.973 7.045 565 HA2 GLY 74 1HA GLY 74 -0.387 -8.097 7.911 566 HA3 GLY 74 2HA GLY 74 0.668 -9.473 8.195 567 H LYS 75 H LYS 75 2.902 -8.627 9.190 568 HA LYS 75 HA LYS 75 2.281 -7.779 11.803 569 HB2 LYS 75 1HB LYS 75 4.837 -8.156 10.278 570 HB3 LYS 75 2HB LYS 75 4.868 -7.429 11.879 571 HG2 LYS 75 1HG LYS 75 3.411 -9.563 12.467 572 HG3 LYS 75 2HG LYS 75 4.267 -10.214 11.068 573 HD2 LYS 75 1HD LYS 75 5.697 -10.776 12.789 574 HD3 LYS 75 2HD LYS 75 6.374 -9.234 12.258 575 HE2 LYS 75 1HE LYS 75 5.123 -8.095 14.043 576 HE3 LYS 75 2HE LYS 75 4.498 -9.652 14.584 577 HZ1 LYS 75 1HZ LYS 75 7.404 -9.216 14.385 578 HZ2 LYS 75 2HZ LYS 75 6.553 -10.304 15.362 579 HZ3 LYS 75 3HZ LYS 75 6.557 -8.655 15.738 580 H GLN 76 H GLN 76 4.163 -6.083 9.287 581 HA GLN 76 HA GLN 76 4.466 -3.662 10.576 582 HB2 GLN 76 1HB GLN 76 4.977 -2.713 8.467 583 HB3 GLN 76 2HB GLN 76 5.488 -4.393 8.375 584 HG2 GLN 76 1HG GLN 76 3.535 -4.973 7.104 585 HG3 GLN 76 2HG GLN 76 2.878 -3.349 7.304 586 HE21 GLN 76 1HE2 GLN 76 3.817 -5.083 4.965 587 HE22 GLN 76 2HE2 GLN 76 4.810 -4.012 4.043 588 H LYS 77 H LYS 77 3.236 -1.896 10.935 589 HA LYS 77 HA LYS 77 0.426 -2.038 10.068 590 HB2 LYS 77 1HB LYS 77 1.316 -1.928 12.609 591 HB3 LYS 77 2HB LYS 77 1.202 -0.207 12.266 592 HG2 LYS 77 1HG LYS 77 -1.067 -0.241 12.128 593 HG3 LYS 77 2HG LYS 77 -1.119 -1.908 11.550 594 HD2 LYS 77 1HD LYS 77 -1.948 -2.138 13.689 595 HD3 LYS 77 2HD LYS 77 -0.231 -2.462 13.943 596 HE2 LYS 77 1HE LYS 77 -1.286 0.324 14.204 597 HE3 LYS 77 2HE LYS 77 -1.495 -0.824 15.526 598 HZ1 LYS 77 1HZ LYS 77 1.176 -0.821 14.518 599 HZ2 LYS 77 2HZ LYS 77 0.626 -0.611 16.103 600 HZ3 LYS 77 3HZ LYS 77 0.712 0.714 15.055 601 H LEU 78 H LEU 78 -0.224 -0.599 8.618 602 HA LEU 78 HA LEU 78 1.496 1.620 7.905 603 HB2 LEU 78 1HB LEU 78 -1.143 0.724 6.757 604 HB3 LEU 78 2HB LEU 78 -0.109 1.981 6.082 605 HG LEU 78 HG LEU 78 0.427 -0.980 6.206 606 HD11 LEU 78 1HD1 LEU 78 0.811 -0.343 3.677 607 HD12 LEU 78 2HD1 LEU 78 -0.270 0.987 4.090 608 HD13 LEU 78 3HD1 LEU 78 -0.801 -0.681 4.307 609 HD21 LEU 78 1HD2 LEU 78 2.288 1.240 5.365 610 HD22 LEU 78 2HD2 LEU 78 2.584 -0.485 5.150 611 HD23 LEU 78 3HD2 LEU 78 2.478 0.197 6.774 612 H GLN 79 H GLN 79 1.364 3.474 8.972 613 HA GLN 79 HA GLN 79 -1.299 4.439 9.778 614 HB2 GLN 79 1HB GLN 79 0.495 3.656 11.587 615 HB3 GLN 79 2HB GLN 79 1.093 5.290 11.331 616 HG2 GLN 79 1HG GLN 79 -0.738 6.262 12.269 617 HG3 GLN 79 2HG GLN 79 -1.810 4.937 11.819 618 HE21 GLN 79 1HE2 GLN 79 -2.340 3.508 13.326 619 HE22 GLN 79 2HE2 GLN 79 -1.584 3.350 14.871 620 H TYR 80 H TYR 80 -1.841 6.241 8.760 621 HA TYR 80 HA TYR 80 0.240 7.870 7.519 622 HB2 TYR 80 1HB TYR 80 -1.351 7.590 5.901 623 HB3 TYR 80 2HB TYR 80 -2.663 7.438 7.064 624 HD1 TYR 80 1HD TYR 80 -0.185 10.165 6.437 625 HD2 TYR 80 2HD TYR 80 -4.278 9.011 6.557 626 HE1 TYR 80 1HE TYR 80 -0.847 12.490 5.983 627 HE2 TYR 80 2HE TYR 80 -4.952 11.332 6.103 628 HH TYR 80 HH TYR 80 -2.705 13.950 6.200 629 H GLU 81 H GLU 81 1.076 9.377 8.813 630 HA GLU 81 HA GLU 81 1.265 11.051 10.351 631 HB2 GLU 81 1HB GLU 81 -1.240 11.696 8.848 632 HB3 GLU 81 2HB GLU 81 -0.785 12.691 10.224 633 HG2 GLU 81 1HG GLU 81 1.101 12.130 7.961 634 HG3 GLU 81 2HG GLU 81 -0.041 13.473 7.932 635 H GLY 82 H GLY 82 0.371 8.677 11.475 636 HA2 GLY 82 1HA GLY 82 -0.241 8.171 13.681 637 HA3 GLY 82 2HA GLY 82 -1.057 9.724 13.786 638 H ILE 83 H ILE 83 -2.375 9.037 11.119 639 HA ILE 83 HA ILE 83 -4.771 7.980 12.231 640 HB ILE 83 HB ILE 83 -3.991 8.466 9.355 641 HG12 ILE 83 1HG1 ILE 83 -5.780 10.041 11.219 642 HG13 ILE 83 2HG1 ILE 83 -4.121 10.471 10.815 643 HG21 ILE 83 1HG2 ILE 83 -6.616 7.642 10.571 644 HG22 ILE 83 2HG2 ILE 83 -6.480 8.369 8.971 645 HG23 ILE 83 3HG2 ILE 83 -5.698 6.825 9.306 646 HD11 ILE 83 1HD1 ILE 83 -5.335 10.179 8.357 647 HD12 ILE 83 2HD1 ILE 83 -6.571 10.947 9.355 648 HD13 ILE 83 3HD1 ILE 83 -4.984 11.697 9.184 649 H PHE 84 H PHE 84 -4.939 5.915 12.812 650 HA PHE 84 HA PHE 84 -3.402 3.818 11.658 651 HB2 PHE 84 1HB PHE 84 -4.115 3.652 13.963 652 HB3 PHE 84 2HB PHE 84 -5.807 3.755 13.488 653 HD1 PHE 84 1HD PHE 84 -2.870 1.696 12.444 654 HD2 PHE 84 2HD PHE 84 -6.928 1.778 13.727 655 HE1 PHE 84 1HE PHE 84 -2.968 -0.757 12.282 656 HE2 PHE 84 2HE PHE 84 -7.031 -0.675 13.568 657 HZ PHE 84 HZ PHE 84 -5.049 -1.946 12.845 658 H ILE 85 H ILE 85 -3.892 4.008 9.413 659 HA ILE 85 HA ILE 85 -6.604 3.447 8.541 660 HB ILE 85 HB ILE 85 -5.639 3.594 6.247 661 HG12 ILE 85 1HG1 ILE 85 -3.107 4.394 7.696 662 HG13 ILE 85 2HG1 ILE 85 -3.347 2.851 6.885 663 HG21 ILE 85 1HG2 ILE 85 -4.706 6.057 7.595 664 HG22 ILE 85 2HG2 ILE 85 -5.812 5.854 6.237 665 HG23 ILE 85 3HG2 ILE 85 -6.376 5.570 7.884 666 HD11 ILE 85 1HD1 ILE 85 -3.981 4.899 5.041 667 HD12 ILE 85 2HD1 ILE 85 -2.440 5.302 5.801 668 HD13 ILE 85 3HD1 ILE 85 -2.646 3.747 4.996 669 H LYS 86 H LYS 86 -7.302 1.590 7.559 670 HA LYS 86 HA LYS 86 -5.494 -0.723 7.766 671 HB2 LYS 86 1HB LYS 86 -8.419 -0.363 8.192 672 HB3 LYS 86 2HB LYS 86 -7.876 -1.905 7.542 673 HG2 LYS 86 1HG LYS 86 -6.645 -2.416 9.454 674 HG3 LYS 86 2HG LYS 86 -6.639 -0.740 10.009 675 HD2 LYS 86 1HD LYS 86 -8.196 -1.797 11.398 676 HD3 LYS 86 2HD LYS 86 -9.186 -0.990 10.179 677 HE2 LYS 86 1HE LYS 86 -10.161 -3.060 10.187 678 HE3 LYS 86 2HE LYS 86 -8.941 -3.296 8.936 679 HZ1 LYS 86 1HZ LYS 86 -9.208 -5.010 10.855 680 HZ2 LYS 86 2HZ LYS 86 -8.259 -3.913 11.724 681 HZ3 LYS 86 3HZ LYS 86 -7.665 -4.598 10.296 682 H ASP 87 H ASP 87 -5.855 -2.461 6.154 683 HA ASP 87 HA ASP 87 -5.606 -1.469 3.532 684 HB2 ASP 87 1HB ASP 87 -6.002 -4.006 2.980 685 HB3 ASP 87 2HB ASP 87 -4.533 -3.498 3.810 686 H SER 88 H SER 88 -8.331 -2.778 5.315 687 HA SER 88 HA SER 88 -10.073 -3.065 3.094 688 HB2 SER 88 1HB SER 88 -10.382 -4.186 5.316 689 HB3 SER 88 2HB SER 88 -10.846 -2.623 5.986 690 HG SER 88 HG SER 88 -12.353 -4.371 4.651 691 H ASN 89 H ASN 89 -9.056 -0.368 4.977 692 HA ASN 89 HA ASN 89 -11.302 1.302 4.229 693 HB2 ASN 89 1HB ASN 89 -8.772 1.785 5.794 694 HB3 ASN 89 2HB ASN 89 -9.851 3.103 5.344 695 HD21 ASN 89 1HD2 ASN 89 -10.100 -0.164 6.715 696 HD22 ASN 89 2HD2 ASN 89 -11.211 0.265 7.967 697 H SER 90 H SER 90 -11.399 2.630 2.528 698 HA SER 90 HA SER 90 -9.342 2.531 0.538 699 HB2 SER 90 1HB SER 90 -11.797 4.300 0.612 700 HB3 SER 90 2HB SER 90 -10.829 3.896 -0.806 701 HG SER 90 HG SER 90 -12.869 2.656 -0.344 702 H LEU 91 H LEU 91 -8.074 4.230 -0.244 703 HA LEU 91 HA LEU 91 -7.091 6.016 1.733 704 HB2 LEU 91 1HB LEU 91 -6.582 5.718 -1.213 705 HB3 LEU 91 2HB LEU 91 -5.804 6.971 -0.249 706 HG LEU 91 HG LEU 91 -5.554 4.122 0.604 707 HD11 LEU 91 1HD1 LEU 91 -4.176 5.404 -1.731 708 HD12 LEU 91 2HD1 LEU 91 -4.950 3.822 -1.632 709 HD13 LEU 91 3HD1 LEU 91 -3.419 4.108 -0.804 710 HD21 LEU 91 1HD2 LEU 91 -3.915 4.907 1.914 711 HD22 LEU 91 2HD2 LEU 91 -4.640 6.485 1.610 712 HD23 LEU 91 3HD2 LEU 91 -3.264 5.946 0.647 713 H ALA 92 H ALA 92 -9.006 6.487 -1.220 714 HA ALA 92 HA ALA 92 -9.193 9.246 -1.217 715 HB1 ALA 92 1HB ALA 92 -10.015 7.994 -3.076 716 HB2 ALA 92 2HB ALA 92 -11.219 7.188 -2.071 717 HB3 ALA 92 3HB ALA 92 -11.364 8.913 -2.407 718 H TYR 93 H TYR 93 -10.962 6.892 0.701 719 HA TYR 93 HA TYR 93 -13.019 8.472 1.679 720 HB2 TYR 93 1HB TYR 93 -13.001 6.115 2.131 721 HB3 TYR 93 2HB TYR 93 -11.479 6.238 3.007 722 HD1 TYR 93 1HD TYR 93 -11.500 7.719 5.142 723 HD2 TYR 93 2HD TYR 93 -15.009 6.174 3.298 724 HE1 TYR 93 1HE TYR 93 -12.732 8.020 7.249 725 HE2 TYR 93 2HE TYR 93 -16.252 6.473 5.399 726 HH TYR 93 HH TYR 93 -14.650 7.688 8.325 727 H TYR 94 H TYR 94 -9.743 8.040 2.987 728 HA TYR 94 HA TYR 94 -10.100 9.809 5.174 729 HB2 TYR 94 1HB TYR 94 -7.585 8.836 3.805 730 HB3 TYR 94 2HB TYR 94 -7.606 9.750 5.309 731 HD1 TYR 94 2HD TYR 94 -8.854 8.730 7.298 732 HD2 TYR 94 1HD TYR 94 -7.803 6.506 3.826 733 HE1 TYR 94 2HE TYR 94 -9.103 6.639 8.569 734 HE2 TYR 94 1HE TYR 94 -8.050 4.409 5.087 735 HH TYR 94 HH TYR 94 -9.506 3.754 7.300 736 H ASN 95 H ASN 95 -9.933 10.411 1.906 737 HA ASN 95 HA ASN 95 -9.729 12.301 0.657 738 HB2 ASN 95 1HB ASN 95 -10.215 13.393 3.397 739 HB3 ASN 95 2HB ASN 95 -9.742 14.505 2.116 740 HD21 ASN 95 1HD2 ASN 95 -12.052 11.930 2.850 741 HD22 ASN 95 2HD2 ASN 95 -13.359 12.606 1.944 742 H MET 96 H MET 96 -7.398 10.997 1.031 743 HA MET 96 HA MET 96 -5.329 12.674 2.071 744 HB2 MET 96 1HB MET 96 -5.193 10.246 0.274 745 HB3 MET 96 2HB MET 96 -3.801 11.023 1.017 746 HG2 MET 96 1HG MET 96 -5.080 10.598 3.235 747 HG3 MET 96 2HG MET 96 -5.966 9.411 2.282 748 HE1 MET 96 1HE MET 96 -4.707 8.324 4.708 749 HE2 MET 96 2HE MET 96 -5.233 7.179 3.475 750 HE3 MET 96 3HE MET 96 -3.636 7.015 4.207 751 H ALA 97 H ALA 97 -3.667 13.719 0.880 752 HA ALA 97 HA ALA 97 -4.375 14.368 -1.905 753 HB1 ALA 97 1HB ALA 97 -3.386 16.673 -1.365 754 HB2 ALA 97 2HB ALA 97 -5.006 16.306 -0.769 755 HB3 ALA 97 3HB ALA 97 -3.625 16.227 0.325 756 H SER 98 H SER 98 -2.516 15.299 -3.137 757 HA SER 98 HA SER 98 -0.345 13.559 -3.145 758 HB2 SER 98 1HB SER 98 0.615 14.961 -4.823 759 HB3 SER 98 2HB SER 98 -1.132 15.053 -5.040 760 HG SER 98 HG SER 98 -0.286 17.124 -5.108 761 H GLY 99 H GLY 99 1.824 13.776 -2.527 762 HA2 GLY 99 1HA GLY 99 3.630 14.604 -1.334 763 HA3 GLY 99 2HA GLY 99 2.706 16.064 -1.015 764 H ALA 100 H ALA 100 1.499 12.866 -0.278 765 HA ALA 100 HA ALA 100 1.243 13.606 2.511 766 HB1 ALA 100 1HB ALA 100 -0.554 12.432 1.193 767 HB2 ALA 100 2HB ALA 100 0.459 10.988 1.251 768 HB3 ALA 100 3HB ALA 100 -0.147 11.702 2.746 769 H VAL 101 H VAL 101 1.649 11.656 4.094 770 HA VAL 101 HA VAL 101 4.161 10.292 3.470 771 HB VAL 101 HB VAL 101 4.896 12.333 4.548 772 HG11 VAL 101 1HG1 VAL 101 2.698 12.731 5.719 773 HG12 VAL 101 2HG1 VAL 101 3.241 11.586 6.948 774 HG13 VAL 101 3HG1 VAL 101 4.144 13.076 6.668 775 HG21 VAL 101 1HG2 VAL 101 5.049 9.851 6.239 776 HG22 VAL 101 2HG2 VAL 101 6.239 10.469 5.094 777 HG23 VAL 101 3HG2 VAL 101 5.958 11.315 6.615 778 H ILE 102 H ILE 102 3.756 8.219 3.837 779 HA ILE 102 HA ILE 102 1.793 7.439 5.844 780 HB ILE 102 HB ILE 102 3.298 5.776 3.821 781 HG12 ILE 102 1HG1 ILE 102 1.637 7.349 2.865 782 HG13 ILE 102 2HG1 ILE 102 1.178 5.666 2.633 783 HG21 ILE 102 1HG2 ILE 102 2.812 4.310 5.582 784 HG22 ILE 102 2HG2 ILE 102 1.243 5.054 5.885 785 HG23 ILE 102 3HG2 ILE 102 1.491 4.078 4.437 786 HD11 ILE 102 1HD1 ILE 102 -0.227 7.787 3.974 787 HD12 ILE 102 2HD1 ILE 102 -0.797 6.193 3.475 788 HD13 ILE 102 3HD1 ILE 102 -0.004 6.398 5.037 789 H HIS 103 H HIS 103 2.500 7.235 7.863 790 HA HIS 103 HA HIS 103 5.252 6.582 8.446 791 HB2 HIS 103 1HB HIS 103 2.854 7.309 10.096 792 HB3 HIS 103 2HB HIS 103 4.282 6.626 10.868 793 HD1 HIS 103 1HD HIS 103 5.999 8.270 11.553 794 HD2 HIS 103 2HD HIS 103 3.546 9.753 8.545 795 HE1 HIS 103 1HE HIS 103 6.712 10.659 11.220 796 HE2 HIS 103 2HE HIS 103 5.157 11.560 9.456 797 H LEU 104 H LEU 104 6.055 4.658 9.051 798 HA LEU 104 HA LEU 104 4.204 2.386 9.103 799 HB2 LEU 104 1HB LEU 104 6.074 2.333 7.503 800 HB3 LEU 104 2HB LEU 104 7.208 2.430 8.849 801 HG LEU 104 HG LEU 104 6.319 0.239 9.657 802 HD11 LEU 104 1HD1 LEU 104 5.241 -0.548 7.089 803 HD12 LEU 104 2HD1 LEU 104 4.289 0.732 7.839 804 HD13 LEU 104 3HD1 LEU 104 4.581 -0.773 8.709 805 HD21 LEU 104 1HD2 LEU 104 7.218 -0.412 6.950 806 HD22 LEU 104 2HD2 LEU 104 7.939 -0.801 8.512 807 HD23 LEU 104 3HD2 LEU 104 8.223 0.778 7.777 808 H ALA 105 H ALA 105 4.016 1.035 10.827 809 HA ALA 105 HA ALA 105 5.706 1.562 13.175 810 HB1 ALA 105 1HB ALA 105 3.391 2.660 13.258 811 HB2 ALA 105 2HB ALA 105 2.770 1.022 13.464 812 HB3 ALA 105 3HB ALA 105 3.896 1.692 14.644 813 H LEU 106 H LEU 106 5.991 -0.200 14.596 814 HA LEU 106 HA LEU 106 5.838 -2.769 13.286 815 HB2 LEU 106 1HB LEU 106 7.171 -1.653 15.683 816 HB3 LEU 106 2HB LEU 106 6.819 -3.380 15.696 817 HG LEU 106 HG LEU 106 9.106 -2.913 14.961 818 HD11 LEU 106 1HD1 LEU 106 8.497 -3.888 12.452 819 HD12 LEU 106 2HD1 LEU 106 7.116 -4.372 13.436 820 HD13 LEU 106 3HD1 LEU 106 8.747 -4.843 13.913 821 HD21 LEU 106 1HD2 LEU 106 7.685 -1.108 13.087 822 HD22 LEU 106 2HD2 LEU 106 9.103 -1.961 12.476 823 HD23 LEU 106 3HD2 LEU 106 9.244 -0.914 13.889 824 H LYS 107 H LYS 107 4.769 -4.603 14.065 825 HA LYS 107 HA LYS 107 2.187 -4.216 15.058 826 HB2 LYS 107 1HB LYS 107 3.106 -6.210 13.758 827 HB3 LYS 107 2HB LYS 107 3.726 -6.799 15.295 828 HG2 LYS 107 1HG LYS 107 1.542 -7.031 16.187 829 HG3 LYS 107 2HG LYS 107 0.826 -6.153 14.832 830 HD2 LYS 107 1HD LYS 107 1.065 -7.933 13.382 831 HD3 LYS 107 2HD LYS 107 2.389 -8.644 14.307 832 HE2 LYS 107 1HE LYS 107 0.361 -9.980 14.516 833 HE3 LYS 107 2HE LYS 107 0.818 -9.280 16.069 834 HZ1 LYS 107 1HZ LYS 107 -0.855 -7.433 14.942 835 HZ2 LYS 107 2HZ LYS 107 -1.253 -8.525 16.171 836 HZ3 LYS 107 3HZ LYS 107 -1.573 -8.916 14.557 837 H GLU 108 H GLU 108 1.448 -3.838 17.036 838 HA GLU 108 HA GLU 108 3.232 -3.903 19.297 839 HB2 GLU 108 1HB GLU 108 0.401 -3.023 18.854 840 HB3 GLU 108 2HB GLU 108 1.007 -3.231 20.492 841 HG2 GLU 108 1HG GLU 108 2.020 -1.346 18.384 842 HG3 GLU 108 2HG GLU 108 1.248 -0.944 19.917 843 H ARG 109 H ARG 109 3.719 -6.065 19.654 844 HA ARG 109 HA ARG 109 1.485 -7.683 20.687 845 HB2 ARG 109 1HB ARG 109 2.424 -8.485 18.485 846 HB3 ARG 109 2HB ARG 109 3.938 -8.793 19.324 847 HG2 ARG 109 1HG ARG 109 2.986 -10.864 19.405 848 HG3 ARG 109 2HG ARG 109 2.403 -10.189 20.927 849 HD2 ARG 109 1HD ARG 109 0.305 -9.546 19.806 850 HD3 ARG 109 2HD ARG 109 0.891 -10.289 18.319 851 HE ARG 109 HE ARG 109 0.356 -12.342 19.176 852 HH11 ARG 109 2HH1 ARG 109 0.395 -10.004 21.755 853 HH12 ARG 109 1HH1 ARG 109 -0.258 -11.096 22.931 854 HH21 ARG 109 2HH2 ARG 109 -0.505 -13.789 20.715 855 HH22 ARG 109 1HH2 ARG 109 -0.769 -13.249 22.338 856 H SER 110 H SER 110 1.747 -8.571 22.659 857 HA SER 110 HA SER 110 3.461 -7.629 24.533 858 HB2 SER 110 1HB SER 110 2.093 -10.294 24.293 859 HB3 SER 110 2HB SER 110 3.134 -9.946 25.673 860 HG SER 110 HG SER 110 0.868 -9.423 25.972 861 H GLY 111 H GLY 111 3.958 -10.722 22.817 862 HA2 GLY 111 1HA GLY 111 6.802 -10.234 22.669 863 HA3 GLY 111 2HA GLY 111 6.357 -11.520 23.781 864 HA PRO 112 HA PRO 112 5.248 -12.814 19.213 865 HB2 PRO 112 1HB PRO 112 6.858 -11.662 17.355 866 HB3 PRO 112 2HB PRO 112 5.300 -10.978 17.833 867 HG2 PRO 112 1HG PRO 112 8.055 -10.220 18.725 868 HG3 PRO 112 2HG PRO 112 6.693 -9.172 18.289 869 HD2 PRO 112 1HD PRO 112 7.355 -9.707 20.859 870 HD3 PRO 112 2HD PRO 112 5.680 -9.422 20.344 871 H SER 113 H SER 113 6.573 -14.097 17.582 872 HA SER 113 HA SER 113 8.763 -15.367 19.017 873 HB2 SER 113 1HB SER 113 7.103 -16.127 16.626 874 HB3 SER 113 2HB SER 113 8.592 -16.991 17.005 875 HG SER 113 HG SER 113 7.068 -18.089 18.094 876 H SER 114 H SER 114 10.686 -14.421 18.766 877 HA SER 114 HA SER 114 11.633 -12.685 16.966 878 HB2 SER 114 1HB SER 114 13.886 -13.509 17.384 879 HB3 SER 114 2HB SER 114 12.944 -13.590 18.873 880 HG SER 114 HG SER 114 12.529 -15.858 18.176 881 H GLY 115 H GLY 115 11.697 -16.212 16.482 882 HA2 GLY 115 1HA GLY 115 10.937 -16.741 14.089 883 HA3 GLY 115 2HA GLY 115 12.306 -15.735 13.638 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -14.782 29.792 6.768 2 HA2 GLY 1 1HA GLY 1 -16.753 29.989 8.579 3 HA3 GLY 1 2HA GLY 1 -17.218 28.531 7.715 4 H SER 2 H SER 2 -16.877 27.987 10.186 5 HA SER 2 HA SER 2 -14.578 26.306 10.288 6 HB2 SER 2 1HB SER 2 -13.546 28.491 10.887 7 HB3 SER 2 2HB SER 2 -14.648 28.603 12.259 8 HG SER 2 HG SER 2 -12.346 27.550 12.364 9 H SER 3 H SER 3 -14.512 25.003 12.265 10 HA SER 3 HA SER 3 -16.714 25.136 14.105 11 HB2 SER 3 1HB SER 3 -17.883 24.101 12.243 12 HB3 SER 3 2HB SER 3 -16.610 22.892 12.075 13 HG SER 3 HG SER 3 -18.364 22.054 13.243 14 H GLY 4 H GLY 4 -15.850 24.586 15.986 15 HA2 GLY 4 1HA GLY 4 -13.575 22.714 15.995 16 HA3 GLY 4 2HA GLY 4 -13.909 23.911 17.238 17 H SER 5 H SER 5 -15.994 21.459 15.726 18 HA SER 5 HA SER 5 -17.037 20.702 18.299 19 HB2 SER 5 1HB SER 5 -18.344 20.782 16.099 20 HB3 SER 5 2HB SER 5 -17.539 19.266 15.693 21 HG SER 5 HG SER 5 -19.110 19.720 18.015 22 H SER 6 H SER 6 -16.853 18.691 19.307 23 HA SER 6 HA SER 6 -14.299 17.457 19.083 24 HB2 SER 6 1HB SER 6 -16.722 17.072 20.776 25 HB3 SER 6 2HB SER 6 -15.572 15.738 20.678 26 HG SER 6 HG SER 6 -13.950 17.442 21.185 27 H GLY 7 H GLY 7 -13.935 16.421 17.183 28 HA2 GLY 7 1HA GLY 7 -14.577 13.836 16.735 29 HA3 GLY 7 2HA GLY 7 -15.933 14.689 16.012 30 H THR 8 H THR 8 -12.597 13.844 15.724 31 HA THR 8 HA THR 8 -12.106 15.532 13.435 32 HB THR 8 HB THR 8 -10.424 13.220 14.413 33 HG1 THR 8 1HG THR 8 -10.969 15.191 15.868 34 HG21 THR 8 1HG2 THR 8 -9.835 13.960 12.183 35 HG22 THR 8 2HG2 THR 8 -8.597 14.488 13.323 36 HG23 THR 8 3HG2 THR 8 -9.790 15.639 12.721 37 H GLU 9 H GLU 9 -12.135 11.991 13.910 38 HA GLU 9 HA GLU 9 -12.595 11.640 11.048 39 HB2 GLU 9 1HB GLU 9 -12.041 9.613 13.222 40 HB3 GLU 9 2HB GLU 9 -12.207 9.242 11.511 41 HG2 GLU 9 1HG GLU 9 -10.170 11.222 12.430 42 HG3 GLU 9 2HG GLU 9 -9.852 9.492 12.543 43 H ASP 10 H ASP 10 -14.745 12.793 12.314 44 HA ASP 10 HA ASP 10 -16.679 10.619 12.700 45 HB2 ASP 10 1HB ASP 10 -16.440 12.505 14.400 46 HB3 ASP 10 2HB ASP 10 -17.163 13.557 13.186 47 H SER 11 H SER 11 -16.205 13.628 10.882 48 HA SER 11 HA SER 11 -18.092 12.603 8.869 49 HB2 SER 11 1HB SER 11 -19.240 14.363 10.082 50 HB3 SER 11 2HB SER 11 -17.868 15.451 9.873 51 HG SER 11 HG SER 11 -19.871 15.388 8.330 52 H LEU 12 H LEU 12 -16.030 11.830 7.942 53 HA LEU 12 HA LEU 12 -14.315 13.888 6.797 54 HB2 LEU 12 1HB LEU 12 -14.175 10.901 6.982 55 HB3 LEU 12 2HB LEU 12 -13.134 11.787 5.869 56 HG LEU 12 HG LEU 12 -13.184 12.462 8.790 57 HD11 LEU 12 1HD1 LEU 12 -12.006 10.672 9.404 58 HD12 LEU 12 2HD1 LEU 12 -11.008 10.721 7.952 59 HD13 LEU 12 3HD1 LEU 12 -12.583 9.930 7.912 60 HD21 LEU 12 1HD2 LEU 12 -10.850 12.578 6.923 61 HD22 LEU 12 2HD2 LEU 12 -11.168 13.523 8.379 62 HD23 LEU 12 3HD2 LEU 12 -12.074 13.848 6.900 63 H MET 13 H MET 13 -14.530 14.631 4.793 64 HA MET 13 HA MET 13 -16.572 14.384 3.111 65 HB2 MET 13 1HB MET 13 -14.155 15.547 2.884 66 HB3 MET 13 2HB MET 13 -13.964 14.253 1.708 67 HG2 MET 13 1HG MET 13 -15.563 15.098 0.307 68 HG3 MET 13 2HG MET 13 -16.419 15.926 1.606 69 HE1 MET 13 1HE MET 13 -16.747 18.068 1.372 70 HE2 MET 13 2HE MET 13 -15.501 18.592 2.505 71 HE3 MET 13 3HE MET 13 -15.636 19.362 0.923 72 HA PRO 14 HA PRO 14 -16.898 10.236 1.674 73 HB2 PRO 14 1HB PRO 14 -18.328 10.678 -0.590 74 HB3 PRO 14 2HB PRO 14 -19.032 10.787 1.027 75 HG2 PRO 14 1HG PRO 14 -18.063 12.977 -0.769 76 HG3 PRO 14 2HG PRO 14 -19.531 12.911 0.223 77 HD2 PRO 14 1HD PRO 14 -17.311 14.256 0.994 78 HD3 PRO 14 2HD PRO 14 -18.403 13.472 2.153 79 H GLU 15 H GLU 15 -16.939 9.262 -0.819 80 HA GLU 15 HA GLU 15 -14.223 9.792 -1.756 81 HB2 GLU 15 1HB GLU 15 -15.182 7.449 -1.217 82 HB3 GLU 15 2HB GLU 15 -16.003 7.592 -2.765 83 HG2 GLU 15 1HG GLU 15 -13.771 7.990 -3.816 84 HG3 GLU 15 2HG GLU 15 -13.040 7.600 -2.260 85 H GLU 16 H GLU 16 -17.478 9.336 -3.135 86 HA GLU 16 HA GLU 16 -17.090 9.837 -5.756 87 HB2 GLU 16 1HB GLU 16 -19.286 10.557 -3.882 88 HB3 GLU 16 2HB GLU 16 -19.319 11.281 -5.483 89 HG2 GLU 16 1HG GLU 16 -19.606 9.252 -6.543 90 HG3 GLU 16 2HG GLU 16 -18.952 8.335 -5.187 91 H GLU 17 H GLU 17 -17.999 12.519 -3.589 92 HA GLU 17 HA GLU 17 -17.352 14.585 -5.309 93 HB2 GLU 17 1HB GLU 17 -17.596 14.346 -2.348 94 HB3 GLU 17 2HB GLU 17 -16.879 15.813 -3.000 95 HG2 GLU 17 1HG GLU 17 -18.923 16.035 -4.449 96 HG3 GLU 17 2HG GLU 17 -19.634 14.730 -3.501 97 H PHE 18 H PHE 18 -15.322 13.332 -2.656 98 HA PHE 18 HA PHE 18 -13.081 14.790 -2.863 99 HB2 PHE 18 1HB PHE 18 -13.508 12.703 -1.433 100 HB3 PHE 18 2HB PHE 18 -12.870 11.785 -2.793 101 HD1 PHE 18 2HD PHE 18 -11.990 14.666 -0.599 102 HD2 PHE 18 1HD PHE 18 -10.614 11.342 -2.875 103 HE1 PHE 18 2HE PHE 18 -9.702 15.057 0.218 104 HE2 PHE 18 1HE PHE 18 -8.325 11.728 -2.060 105 HZ PHE 18 HZ PHE 18 -7.866 13.588 -0.513 106 H LEU 19 H LEU 19 -13.393 11.771 -4.739 107 HA LEU 19 HA LEU 19 -11.233 11.995 -6.373 108 HB2 LEU 19 1HB LEU 19 -13.968 11.081 -7.251 109 HB3 LEU 19 2HB LEU 19 -12.437 10.673 -8.022 110 HG LEU 19 HG LEU 19 -13.321 9.812 -5.268 111 HD11 LEU 19 1HD1 LEU 19 -14.114 8.809 -7.695 112 HD12 LEU 19 2HD1 LEU 19 -14.113 7.931 -6.166 113 HD13 LEU 19 3HD1 LEU 19 -12.747 7.778 -7.272 114 HD21 LEU 19 1HD2 LEU 19 -10.896 8.893 -6.789 115 HD22 LEU 19 2HD2 LEU 19 -11.309 8.594 -5.100 116 HD23 LEU 19 3HD2 LEU 19 -10.844 10.214 -5.621 117 H ARG 20 H ARG 20 -14.389 13.533 -6.861 118 HA ARG 20 HA ARG 20 -13.836 14.691 -9.360 119 HB2 ARG 20 1HB ARG 20 -15.688 15.686 -7.186 120 HB3 ARG 20 2HB ARG 20 -15.717 16.195 -8.869 121 HG2 ARG 20 1HG ARG 20 -16.386 14.013 -9.586 122 HG3 ARG 20 2HG ARG 20 -16.165 13.362 -7.961 123 HD2 ARG 20 1HD ARG 20 -17.894 15.232 -7.323 124 HD3 ARG 20 2HD ARG 20 -18.321 15.123 -9.031 125 HE ARG 20 HE ARG 20 -18.253 12.539 -7.935 126 HH11 ARG 20 2HH1 ARG 20 -20.132 15.466 -7.792 127 HH12 ARG 20 1HH1 ARG 20 -21.611 14.651 -7.403 128 HH21 ARG 20 2HH2 ARG 20 -20.194 11.455 -7.424 129 HH22 ARG 20 1HH2 ARG 20 -21.645 12.370 -7.193 130 H ARG 21 H ARG 21 -13.138 15.727 -6.084 131 HA ARG 21 HA ARG 21 -12.317 18.372 -6.839 132 HB2 ARG 21 1HB ARG 21 -12.001 16.778 -4.296 133 HB3 ARG 21 2HB ARG 21 -11.403 18.421 -4.480 134 HG2 ARG 21 1HG ARG 21 -14.277 17.722 -4.971 135 HG3 ARG 21 2HG ARG 21 -13.666 18.105 -3.360 136 HD2 ARG 21 1HD ARG 21 -12.778 20.251 -4.322 137 HD3 ARG 21 2HD ARG 21 -13.661 19.871 -5.800 138 HE ARG 21 HE ARG 21 -15.637 20.392 -4.732 139 HH11 ARG 21 2HH1 ARG 21 -13.025 20.288 -2.433 140 HH12 ARG 21 1HH1 ARG 21 -13.948 21.005 -1.154 141 HH21 ARG 21 2HH2 ARG 21 -16.863 21.337 -3.056 142 HH22 ARG 21 1HH2 ARG 21 -16.132 21.600 -1.510 143 H ASN 22 H ASN 22 -10.645 15.377 -5.920 144 HA ASN 22 HA ASN 22 -8.219 16.449 -7.197 145 HB2 ASN 22 1HB ASN 22 -7.031 14.903 -5.436 146 HB3 ASN 22 2HB ASN 22 -7.543 16.527 -4.985 147 HD21 ASN 22 1HD2 ASN 22 -8.799 16.744 -3.270 148 HD22 ASN 22 2HD2 ASN 22 -9.637 15.463 -2.468 149 H LYS 23 H LYS 23 -6.935 14.973 -8.317 150 HA LYS 23 HA LYS 23 -8.133 12.311 -8.723 151 HB2 LYS 23 1HB LYS 23 -7.204 14.347 -10.691 152 HB3 LYS 23 2HB LYS 23 -6.947 12.651 -11.079 153 HG2 LYS 23 1HG LYS 23 -9.651 13.430 -10.163 154 HG3 LYS 23 2HG LYS 23 -9.150 13.968 -11.768 155 HD2 LYS 23 1HD LYS 23 -10.016 11.942 -12.337 156 HD3 LYS 23 2HD LYS 23 -8.375 11.427 -11.942 157 HE2 LYS 23 1HE LYS 23 -9.983 9.947 -10.899 158 HE3 LYS 23 2HE LYS 23 -9.121 10.866 -9.666 159 HZ1 LYS 23 1HZ LYS 23 -10.990 11.855 -8.998 160 HZ2 LYS 23 2HZ LYS 23 -11.802 10.627 -9.830 161 HZ3 LYS 23 3HZ LYS 23 -11.546 12.125 -10.573 162 H GLY 24 H GLY 24 -5.187 14.246 -8.645 163 HA2 GLY 24 1HA GLY 24 -3.212 13.413 -7.575 164 HA3 GLY 24 2HA GLY 24 -3.693 11.786 -8.034 165 HA PRO 25 HA PRO 25 -2.414 10.421 -8.439 166 HB2 PRO 25 1HB PRO 25 0.216 9.750 -8.520 167 HB3 PRO 25 2HB PRO 25 -0.939 9.262 -9.766 168 HG2 PRO 25 1HG PRO 25 1.025 11.522 -9.783 169 HG3 PRO 25 2HG PRO 25 0.626 10.376 -11.077 170 HD2 PRO 25 1HD PRO 25 -0.376 12.891 -10.997 171 HD3 PRO 25 2HD PRO 25 -1.282 11.524 -11.675 172 H VAL 26 H VAL 26 -1.323 9.895 -6.378 173 HA VAL 26 HA VAL 26 -0.343 12.341 -5.059 174 HB VAL 26 HB VAL 26 -1.153 11.357 -2.945 175 HG11 VAL 26 1HG1 VAL 26 -3.322 12.065 -3.221 176 HG12 VAL 26 2HG1 VAL 26 -2.559 12.773 -4.646 177 HG13 VAL 26 3HG1 VAL 26 -3.492 11.283 -4.792 178 HG21 VAL 26 1HG2 VAL 26 -2.219 9.186 -4.746 179 HG22 VAL 26 2HG2 VAL 26 -1.018 9.010 -3.466 180 HG23 VAL 26 3HG2 VAL 26 -2.687 9.408 -3.060 181 H SER 27 H SER 27 1.676 12.346 -4.330 182 HA SER 27 HA SER 27 3.180 9.841 -4.328 183 HB2 SER 27 1HB SER 27 4.274 11.575 -5.544 184 HB3 SER 27 2HB SER 27 4.019 12.742 -4.247 185 HG SER 27 HG SER 27 5.591 10.399 -3.964 186 H ILE 28 H ILE 28 3.263 8.747 -2.488 187 HA ILE 28 HA ILE 28 3.125 10.204 0.056 188 HB ILE 28 HB ILE 28 2.592 8.058 1.092 189 HG12 ILE 28 1HG1 ILE 28 2.333 6.751 -1.581 190 HG13 ILE 28 2HG1 ILE 28 3.929 6.842 -0.844 191 HG21 ILE 28 1HG2 ILE 28 0.385 7.772 0.179 192 HG22 ILE 28 2HG2 ILE 28 0.805 9.483 0.137 193 HG23 ILE 28 3HG2 ILE 28 0.874 8.523 -1.340 194 HD11 ILE 28 1HD1 ILE 28 3.299 4.865 0.023 195 HD12 ILE 28 2HD1 ILE 28 2.534 5.895 1.233 196 HD13 ILE 28 3HD1 ILE 28 1.579 5.234 -0.095 197 H LYS 29 H LYS 29 4.416 9.181 1.872 198 HA LYS 29 HA LYS 29 7.012 8.176 0.934 199 HB2 LYS 29 1HB LYS 29 6.829 10.743 1.543 200 HB3 LYS 29 2HB LYS 29 6.948 10.134 3.189 201 HG2 LYS 29 1HG LYS 29 9.014 8.840 2.243 202 HG3 LYS 29 2HG LYS 29 8.966 10.091 0.999 203 HD2 LYS 29 1HD LYS 29 9.459 11.778 2.488 204 HD3 LYS 29 2HD LYS 29 8.816 10.889 3.871 205 HE2 LYS 29 1HE LYS 29 10.724 9.530 4.020 206 HE3 LYS 29 2HE LYS 29 11.269 9.970 2.403 207 HZ1 LYS 29 1HZ LYS 29 11.152 12.342 3.750 208 HZ2 LYS 29 2HZ LYS 29 12.553 11.458 3.410 209 HZ3 LYS 29 3HZ LYS 29 11.771 11.265 4.898 210 H VAL 30 H VAL 30 7.450 6.320 1.905 211 HA VAL 30 HA VAL 30 6.101 5.626 4.392 212 HB VAL 30 HB VAL 30 7.864 3.964 2.586 213 HG11 VAL 30 1HG1 VAL 30 6.458 2.188 4.066 214 HG12 VAL 30 2HG1 VAL 30 8.097 2.720 4.448 215 HG13 VAL 30 3HG1 VAL 30 6.715 3.472 5.248 216 HG21 VAL 30 1HG2 VAL 30 6.038 3.841 1.316 217 HG22 VAL 30 2HG2 VAL 30 5.295 2.917 2.621 218 HG23 VAL 30 3HG2 VAL 30 5.054 4.661 2.528 219 H GLN 31 H GLN 31 7.056 6.355 6.186 220 HA GLN 31 HA GLN 31 9.884 6.777 6.374 221 HB2 GLN 31 1HB GLN 31 7.911 7.999 7.593 222 HB3 GLN 31 2HB GLN 31 8.086 6.701 8.766 223 HG2 GLN 31 1HG GLN 31 10.135 8.749 7.969 224 HG3 GLN 31 2HG GLN 31 9.358 8.545 9.539 225 HE21 GLN 31 1HE2 GLN 31 12.214 8.398 8.415 226 HE22 GLN 31 2HE2 GLN 31 12.847 6.960 9.132 227 H VAL 32 H VAL 32 10.880 4.790 6.061 228 HA VAL 32 HA VAL 32 10.172 2.471 7.586 229 HB VAL 32 HB VAL 32 12.662 3.029 5.966 230 HG11 VAL 32 1HG1 VAL 32 13.422 0.981 6.452 231 HG12 VAL 32 2HG1 VAL 32 12.321 1.054 7.829 232 HG13 VAL 32 3HG1 VAL 32 11.818 0.257 6.338 233 HG21 VAL 32 1HG2 VAL 32 11.114 1.158 4.642 234 HG22 VAL 32 2HG2 VAL 32 9.940 2.333 5.236 235 HG23 VAL 32 3HG2 VAL 32 11.281 2.863 4.221 236 HA PRO 33 HA PRO 33 12.404 3.904 11.206 237 HB2 PRO 33 1HB PRO 33 11.605 1.856 12.799 238 HB3 PRO 33 2HB PRO 33 10.575 3.244 12.430 239 HG2 PRO 33 1HG PRO 33 10.580 0.510 11.209 240 HG3 PRO 33 2HG PRO 33 9.203 1.514 11.699 241 HD2 PRO 33 1HD PRO 33 10.012 1.308 9.123 242 HD3 PRO 33 2HD PRO 33 9.290 2.790 9.781 243 H ASN 34 H ASN 34 14.279 3.270 12.260 244 HA ASN 34 HA ASN 34 15.766 1.139 10.955 245 HB2 ASN 34 1HB ASN 34 16.833 3.337 11.282 246 HB3 ASN 34 2HB ASN 34 16.658 3.159 13.025 247 HD21 ASN 34 1HD2 ASN 34 18.291 2.303 14.094 248 HD22 ASN 34 2HD2 ASN 34 19.591 1.399 13.401 249 H MET 35 H MET 35 14.919 -0.757 11.775 250 HA MET 35 HA MET 35 14.672 -1.158 14.623 251 HB2 MET 35 1HB MET 35 14.107 -2.779 12.180 252 HB3 MET 35 2HB MET 35 14.295 -3.615 13.716 253 HG2 MET 35 1HG MET 35 12.377 -1.342 13.285 254 HG3 MET 35 2HG MET 35 11.947 -3.039 13.084 255 HE1 MET 35 1HE MET 35 10.713 -1.079 16.513 256 HE2 MET 35 2HE MET 35 10.819 -0.677 14.799 257 HE3 MET 35 3HE MET 35 9.918 -2.103 15.317 258 H GLN 36 H GLN 36 16.667 -1.066 15.570 259 HA GLN 36 HA GLN 36 19.052 -2.094 14.582 260 HB2 GLN 36 1HB GLN 36 19.963 -1.665 16.668 261 HB3 GLN 36 2HB GLN 36 18.571 -0.591 16.653 262 HG2 GLN 36 1HG GLN 36 17.299 -2.327 17.898 263 HG3 GLN 36 2HG GLN 36 18.790 -3.258 18.024 264 HE21 GLN 36 1HE2 GLN 36 17.346 -0.134 18.798 265 HE22 GLN 36 2HE2 GLN 36 18.290 0.153 20.217 266 H ASP 37 H ASP 37 16.419 -3.687 16.225 267 HA ASP 37 HA ASP 37 17.431 -5.967 17.240 268 HB2 ASP 37 1HB ASP 37 14.993 -5.664 15.483 269 HB3 ASP 37 2HB ASP 37 15.366 -7.139 16.370 270 H LYS 38 H LYS 38 17.295 -5.123 13.853 271 HA LYS 38 HA LYS 38 18.345 -6.004 12.034 272 HB2 LYS 38 1HB LYS 38 20.186 -6.363 13.824 273 HB3 LYS 38 2HB LYS 38 19.681 -8.047 13.786 274 HG2 LYS 38 1HG LYS 38 21.345 -8.124 12.247 275 HG3 LYS 38 2HG LYS 38 19.998 -7.710 11.184 276 HD2 LYS 38 1HD LYS 38 21.505 -5.487 12.456 277 HD3 LYS 38 2HD LYS 38 22.285 -6.368 11.140 278 HE2 LYS 38 1HE LYS 38 20.090 -5.989 9.861 279 HE3 LYS 38 2HE LYS 38 19.738 -4.781 11.096 280 HZ1 LYS 38 1HZ LYS 38 21.989 -3.817 10.509 281 HZ2 LYS 38 2HZ LYS 38 20.760 -3.617 9.365 282 HZ3 LYS 38 3HZ LYS 38 21.948 -4.797 9.131 283 H THR 39 H THR 39 15.795 -6.841 12.554 284 HA THR 39 HA THR 39 15.552 -9.690 12.521 285 HB THR 39 HB THR 39 13.738 -8.270 13.374 286 HG1 THR 39 1HG THR 39 12.387 -9.343 11.259 287 HG21 THR 39 1HG2 THR 39 13.308 -7.452 10.500 288 HG22 THR 39 2HG2 THR 39 14.028 -6.422 11.738 289 HG23 THR 39 3HG2 THR 39 12.355 -6.955 11.897 290 H GLU 40 H GLU 40 13.859 -10.403 10.597 291 HA GLU 40 HA GLU 40 15.527 -10.369 8.238 292 HB2 GLU 40 1HB GLU 40 14.007 -12.040 7.362 293 HB3 GLU 40 2HB GLU 40 14.437 -12.446 9.018 294 HG2 GLU 40 1HG GLU 40 11.924 -10.949 8.371 295 HG3 GLU 40 2HG GLU 40 12.001 -12.709 8.311 296 H TRP 41 H TRP 41 14.329 -7.856 8.956 297 HA TRP 41 HA TRP 41 12.677 -7.418 6.558 298 HB2 TRP 41 1HB TRP 41 12.371 -6.052 9.241 299 HB3 TRP 41 2HB TRP 41 11.451 -5.669 7.789 300 HD1 TRP 41 HD TRP 41 11.056 -8.880 7.040 301 HE1 TRP 41 1HE TRP 41 9.233 -10.156 8.333 302 HE3 TRP 41 3HE TRP 41 10.590 -5.767 11.068 303 HZ2 TRP 41 2HZ TRP 41 7.788 -9.879 10.742 304 HZ3 TRP 41 3HZ TRP 41 8.964 -6.344 12.823 305 HH2 TRP 41 HH TRP 41 7.592 -8.358 12.661 306 H LYS 42 H LYS 42 13.353 -5.857 5.219 307 HA LYS 42 HA LYS 42 15.878 -4.645 5.573 308 HB2 LYS 42 1HB LYS 42 13.647 -4.124 3.609 309 HB3 LYS 42 2HB LYS 42 15.196 -3.294 3.539 310 HG2 LYS 42 1HG LYS 42 16.226 -5.642 3.469 311 HG3 LYS 42 2HG LYS 42 14.595 -6.190 3.076 312 HD2 LYS 42 1HD LYS 42 14.541 -4.880 1.095 313 HD3 LYS 42 2HD LYS 42 16.009 -4.011 1.551 314 HE2 LYS 42 1HE LYS 42 16.604 -5.607 -0.118 315 HE3 LYS 42 2HE LYS 42 17.235 -6.188 1.422 316 HZ1 LYS 42 1HZ LYS 42 15.871 -7.723 -0.233 317 HZ2 LYS 42 2HZ LYS 42 14.576 -7.107 0.663 318 HZ3 LYS 42 3HZ LYS 42 15.826 -7.936 1.445 319 H LEU 43 H LEU 43 15.405 -3.710 7.738 320 HA LEU 43 HA LEU 43 14.181 -1.042 7.475 321 HB2 LEU 43 1HB LEU 43 14.373 -2.712 9.976 322 HB3 LEU 43 2HB LEU 43 13.583 -1.145 9.815 323 HG LEU 43 HG LEU 43 12.671 -3.611 8.346 324 HD11 LEU 43 1HD1 LEU 43 11.946 -4.390 10.299 325 HD12 LEU 43 2HD1 LEU 43 10.813 -3.040 10.314 326 HD13 LEU 43 3HD1 LEU 43 12.366 -2.896 11.137 327 HD21 LEU 43 1HD2 LEU 43 10.709 -1.581 8.962 328 HD22 LEU 43 2HD2 LEU 43 11.143 -2.295 7.408 329 HD23 LEU 43 3HD2 LEU 43 12.054 -0.918 8.033 330 H ASN 44 H ASN 44 15.950 0.193 7.082 331 HA ASN 44 HA ASN 44 17.965 0.293 9.216 332 HB2 ASN 44 1HB ASN 44 18.550 0.361 6.247 333 HB3 ASN 44 2HB ASN 44 19.732 0.663 7.517 334 HD21 ASN 44 1HD2 ASN 44 19.945 -1.336 5.551 335 HD22 ASN 44 2HD2 ASN 44 19.908 -2.872 6.343 336 H GLY 45 H GLY 45 15.878 1.979 9.258 337 HA2 GLY 45 1HA GLY 45 15.239 4.189 9.182 338 HA3 GLY 45 2HA GLY 45 16.954 4.497 9.415 339 H GLN 46 H GLN 46 14.376 4.218 7.066 340 HA GLN 46 HA GLN 46 15.733 6.055 5.315 341 HB2 GLN 46 1HB GLN 46 15.781 4.630 3.358 342 HB3 GLN 46 2HB GLN 46 16.718 3.886 4.647 343 HG2 GLN 46 1HG GLN 46 14.831 2.410 5.156 344 HG3 GLN 46 2HG GLN 46 13.915 3.143 3.840 345 HE21 GLN 46 1HE2 GLN 46 14.472 0.412 4.018 346 HE22 GLN 46 2HE2 GLN 46 15.508 -0.023 2.706 347 H GLY 47 H GLY 47 14.340 6.305 3.213 348 HA2 GLY 47 1HA GLY 47 11.492 6.093 3.969 349 HA3 GLY 47 2HA GLY 47 12.160 7.571 3.292 350 H LEU 48 H LEU 48 10.200 5.215 2.491 351 HA LEU 48 HA LEU 48 11.252 4.896 -0.240 352 HB2 LEU 48 1HB LEU 48 9.161 3.237 1.159 353 HB3 LEU 48 2HB LEU 48 9.849 2.934 -0.435 354 HG LEU 48 HG LEU 48 11.378 2.809 2.164 355 HD11 LEU 48 1HD1 LEU 48 11.397 0.353 1.675 356 HD12 LEU 48 2HD1 LEU 48 10.165 0.653 0.450 357 HD13 LEU 48 3HD1 LEU 48 9.827 1.006 2.145 358 HD21 LEU 48 1HD2 LEU 48 12.256 1.710 -0.479 359 HD22 LEU 48 2HD2 LEU 48 13.222 2.102 0.943 360 HD23 LEU 48 3HD2 LEU 48 12.558 3.396 -0.056 361 H VAL 49 H VAL 49 10.356 6.218 -1.666 362 HA VAL 49 HA VAL 49 7.730 7.366 -1.165 363 HB VAL 49 HB VAL 49 9.712 7.893 -3.384 364 HG11 VAL 49 1HG1 VAL 49 7.418 8.335 -4.098 365 HG12 VAL 49 2HG1 VAL 49 7.167 9.353 -2.679 366 HG13 VAL 49 3HG1 VAL 49 8.329 9.834 -3.917 367 HG21 VAL 49 1HG2 VAL 49 9.661 10.172 -2.024 368 HG22 VAL 49 2HG2 VAL 49 9.244 9.081 -0.703 369 HG23 VAL 49 3HG2 VAL 49 10.749 8.852 -1.594 370 H PHE 50 H PHE 50 5.922 7.026 -2.384 371 HA PHE 50 HA PHE 50 6.111 5.147 -4.632 372 HB2 PHE 50 1HB PHE 50 4.146 4.962 -2.339 373 HB3 PHE 50 2HB PHE 50 4.056 4.005 -3.814 374 HD1 PHE 50 1HD PHE 50 6.594 2.987 -4.353 375 HD2 PHE 50 2HD PHE 50 4.855 3.744 -0.542 376 HE1 PHE 50 1HE PHE 50 8.072 1.298 -3.346 377 HE2 PHE 50 2HE PHE 50 6.331 2.056 0.470 378 HZ PHE 50 HZ PHE 50 7.943 0.831 -0.932 379 H THR 51 H THR 51 5.450 6.291 -6.326 380 HA THR 51 HA THR 51 3.403 8.340 -6.018 381 HB THR 51 HB THR 51 4.838 7.588 -8.564 382 HG1 THR 51 1HG THR 51 6.556 8.350 -7.591 383 HG21 THR 51 1HG2 THR 51 4.310 10.340 -8.402 384 HG22 THR 51 2HG2 THR 51 2.842 9.533 -7.852 385 HG23 THR 51 3HG2 THR 51 3.515 9.155 -9.437 386 H LEU 52 H LEU 52 1.378 7.577 -5.994 387 HA LEU 52 HA LEU 52 0.410 6.152 -8.322 388 HB2 LEU 52 1HB LEU 52 -0.813 4.527 -6.737 389 HB3 LEU 52 2HB LEU 52 0.871 4.217 -7.155 390 HG LEU 52 HG LEU 52 1.269 5.565 -4.894 391 HD11 LEU 52 1HD1 LEU 52 -0.391 5.423 -3.322 392 HD12 LEU 52 2HD1 LEU 52 -1.192 4.074 -4.126 393 HD13 LEU 52 3HD1 LEU 52 -1.346 5.705 -4.777 394 HD21 LEU 52 1HD2 LEU 52 1.854 3.161 -5.613 395 HD22 LEU 52 2HD2 LEU 52 0.417 2.698 -4.700 396 HD23 LEU 52 3HD2 LEU 52 1.750 3.523 -3.891 397 HA PRO 53 HA PRO 53 -3.070 8.741 -7.584 398 HB2 PRO 53 1HB PRO 53 -4.935 7.393 -9.026 399 HB3 PRO 53 2HB PRO 53 -3.644 8.342 -9.773 400 HG2 PRO 53 1HG PRO 53 -3.808 5.386 -9.329 401 HG3 PRO 53 2HG PRO 53 -3.250 6.273 -10.759 402 HD2 PRO 53 1HD PRO 53 -1.542 5.194 -8.955 403 HD3 PRO 53 2HD PRO 53 -1.172 6.682 -9.849 404 H LEU 54 H LEU 54 -5.329 8.661 -6.775 405 HA LEU 54 HA LEU 54 -5.537 6.689 -4.634 406 HB2 LEU 54 1HB LEU 54 -7.289 9.088 -5.111 407 HB3 LEU 54 2HB LEU 54 -7.131 8.151 -3.628 408 HG LEU 54 HG LEU 54 -4.712 9.534 -4.668 409 HD11 LEU 54 1HD1 LEU 54 -6.048 11.394 -4.884 410 HD12 LEU 54 2HD1 LEU 54 -5.552 11.513 -3.196 411 HD13 LEU 54 3HD1 LEU 54 -7.149 10.887 -3.603 412 HD21 LEU 54 1HD2 LEU 54 -4.525 9.922 -2.142 413 HD22 LEU 54 2HD2 LEU 54 -4.326 8.275 -2.740 414 HD23 LEU 54 3HD2 LEU 54 -5.851 8.767 -2.001 415 H THR 55 H THR 55 -6.169 4.903 -5.934 416 HA THR 55 HA THR 55 -8.998 5.014 -6.743 417 HB THR 55 HB THR 55 -8.453 3.326 -8.519 418 HG1 THR 55 1HG THR 55 -5.851 3.923 -7.601 419 HG21 THR 55 1HG2 THR 55 -8.163 4.963 -10.068 420 HG22 THR 55 2HG2 THR 55 -6.806 5.688 -9.206 421 HG23 THR 55 3HG2 THR 55 -8.458 6.005 -8.677 422 H ASP 56 H ASP 56 -6.334 2.752 -6.030 423 HA ASP 56 HA ASP 56 -8.180 0.719 -5.144 424 HB2 ASP 56 1HB ASP 56 -5.233 0.920 -5.526 425 HB3 ASP 56 2HB ASP 56 -5.827 -0.289 -4.391 426 H GLN 57 H GLN 57 -7.150 -0.430 -2.978 427 HA GLN 57 HA GLN 57 -7.643 1.563 -0.902 428 HB2 GLN 57 1HB GLN 57 -7.580 -1.455 -0.827 429 HB3 GLN 57 2HB GLN 57 -7.843 -0.445 0.589 430 HG2 GLN 57 1HG GLN 57 -9.919 0.288 -0.168 431 HG3 GLN 57 2HG GLN 57 -9.590 -0.205 -1.828 432 HE21 GLN 57 1HE2 GLN 57 -11.817 -0.851 -0.007 433 HE22 GLN 57 2HE2 GLN 57 -11.875 -2.576 0.055 434 H VAL 58 H VAL 58 -6.412 0.942 1.253 435 HA VAL 58 HA VAL 58 -3.781 1.735 0.989 436 HB VAL 58 HB VAL 58 -5.016 0.104 3.211 437 HG11 VAL 58 1HG1 VAL 58 -2.785 -0.199 3.648 438 HG12 VAL 58 2HG1 VAL 58 -2.317 1.326 2.893 439 HG13 VAL 58 3HG1 VAL 58 -3.073 1.324 4.487 440 HG21 VAL 58 1HG2 VAL 58 -6.099 2.262 2.820 441 HG22 VAL 58 2HG2 VAL 58 -5.230 2.251 4.354 442 HG23 VAL 58 3HG2 VAL 58 -4.538 3.073 2.955 443 H SER 59 H SER 59 -5.151 -1.416 0.608 444 HA SER 59 HA SER 59 -3.081 -3.129 1.141 445 HB2 SER 59 1HB SER 59 -5.189 -4.021 0.438 446 HB3 SER 59 2HB SER 59 -5.089 -3.197 -1.118 447 HG SER 59 HG SER 59 -4.504 -5.346 -1.385 448 H VAL 60 H VAL 60 -3.610 -1.308 -1.865 449 HA VAL 60 HA VAL 60 -1.441 -2.263 -3.319 450 HB VAL 60 HB VAL 60 -1.525 -0.086 -4.547 451 HG11 VAL 60 1HG1 VAL 60 -2.948 -1.966 -5.184 452 HG12 VAL 60 2HG1 VAL 60 -4.188 -1.416 -4.055 453 HG13 VAL 60 3HG1 VAL 60 -3.766 -0.428 -5.454 454 HG21 VAL 60 1HG2 VAL 60 -2.748 0.783 -2.146 455 HG22 VAL 60 2HG2 VAL 60 -2.378 1.727 -3.589 456 HG23 VAL 60 3HG2 VAL 60 -3.942 0.928 -3.436 457 H ILE 61 H ILE 61 -1.555 0.019 -0.699 458 HA ILE 61 HA ILE 61 1.080 1.080 -1.159 459 HB ILE 61 HB ILE 61 -0.834 1.317 1.156 460 HG12 ILE 61 1HG1 ILE 61 -0.510 3.808 0.333 461 HG13 ILE 61 2HG1 ILE 61 -0.023 3.020 -1.164 462 HG21 ILE 61 1HG2 ILE 61 1.005 3.249 1.620 463 HG22 ILE 61 2HG2 ILE 61 0.997 1.673 2.410 464 HG23 ILE 61 3HG2 ILE 61 2.030 1.951 1.008 465 HD11 ILE 61 1HD1 ILE 61 -2.372 1.739 -0.437 466 HD12 ILE 61 2HD1 ILE 61 -2.655 3.442 -0.075 467 HD13 ILE 61 3HD1 ILE 61 -2.169 2.954 -1.698 468 H LYS 62 H LYS 62 -0.345 -1.486 0.743 469 HA LYS 62 HA LYS 62 2.000 -1.959 2.331 470 HB2 LYS 62 1HB LYS 62 -0.405 -3.729 1.849 471 HB3 LYS 62 2HB LYS 62 0.813 -3.967 3.096 472 HG2 LYS 62 1HG LYS 62 0.078 -1.500 3.743 473 HG3 LYS 62 2HG LYS 62 -1.415 -2.021 2.959 474 HD2 LYS 62 1HD LYS 62 -1.840 -3.634 4.539 475 HD3 LYS 62 2HD LYS 62 -0.135 -3.828 4.955 476 HE2 LYS 62 1HE LYS 62 -1.113 -2.759 6.809 477 HE3 LYS 62 2HE LYS 62 -0.262 -1.488 5.932 478 HZ1 LYS 62 1HZ LYS 62 -2.990 -1.634 6.595 479 HZ2 LYS 62 2HZ LYS 62 -2.849 -1.622 4.910 480 HZ3 LYS 62 3HZ LYS 62 -2.158 -0.378 5.824 481 H VAL 63 H VAL 63 0.468 -3.581 -0.436 482 HA VAL 63 HA VAL 63 2.176 -5.724 -0.741 483 HB VAL 63 HB VAL 63 0.083 -5.158 -2.097 484 HG11 VAL 63 1HG1 VAL 63 2.148 -3.602 -3.642 485 HG12 VAL 63 2HG1 VAL 63 0.592 -4.098 -4.312 486 HG13 VAL 63 3HG1 VAL 63 0.650 -2.999 -2.933 487 HG21 VAL 63 1HG2 VAL 63 2.470 -6.174 -3.633 488 HG22 VAL 63 2HG2 VAL 63 1.554 -7.126 -2.464 489 HG23 VAL 63 3HG2 VAL 63 0.773 -6.547 -3.936 490 H LYS 64 H LYS 64 2.637 -2.378 -1.729 491 HA LYS 64 HA LYS 64 4.908 -2.725 -3.336 492 HB2 LYS 64 1HB LYS 64 4.124 -0.363 -1.619 493 HB3 LYS 64 2HB LYS 64 5.352 -0.332 -2.877 494 HG2 LYS 64 1HG LYS 64 2.619 -1.238 -3.605 495 HG3 LYS 64 2HG LYS 64 2.892 0.483 -3.328 496 HD2 LYS 64 1HD LYS 64 4.811 -0.978 -5.068 497 HD3 LYS 64 2HD LYS 64 3.210 -0.615 -5.718 498 HE2 LYS 64 1HE LYS 64 3.525 1.698 -5.499 499 HE3 LYS 64 2HE LYS 64 4.889 1.496 -4.400 500 HZ1 LYS 64 1HZ LYS 64 4.880 0.791 -7.286 501 HZ2 LYS 64 2HZ LYS 64 6.189 0.608 -6.231 502 HZ3 LYS 64 3HZ LYS 64 5.616 2.155 -6.608 503 H ILE 65 H ILE 65 4.592 -2.145 0.145 504 HA ILE 65 HA ILE 65 7.254 -1.814 0.818 505 HB ILE 65 HB ILE 65 5.132 -3.252 2.417 506 HG12 ILE 65 1HG1 ILE 65 6.039 -0.370 2.557 507 HG13 ILE 65 2HG1 ILE 65 4.589 -0.911 1.719 508 HG21 ILE 65 1HG2 ILE 65 6.488 -3.191 4.262 509 HG22 ILE 65 2HG2 ILE 65 7.686 -3.455 2.997 510 HG23 ILE 65 3HG2 ILE 65 7.441 -1.837 3.655 511 HD11 ILE 65 1HD1 ILE 65 4.509 0.017 4.179 512 HD12 ILE 65 2HD1 ILE 65 3.453 -1.294 3.651 513 HD13 ILE 65 3HD1 ILE 65 4.913 -1.654 4.572 514 H HIS 66 H HIS 66 5.515 -4.885 1.322 515 HA HIS 66 HA HIS 66 7.587 -6.555 1.800 516 HB2 HIS 66 1HB HIS 66 5.147 -7.170 1.701 517 HB3 HIS 66 2HB HIS 66 5.314 -7.299 -0.048 518 HD1 HIS 66 1HD HIS 66 5.676 -9.615 -0.799 519 HD2 HIS 66 2HD HIS 66 7.229 -8.977 3.001 520 HE1 HIS 66 1HE HIS 66 6.614 -11.833 -0.075 521 HE2 HIS 66 2HE HIS 66 7.471 -11.444 2.261 522 H GLU 67 H GLU 67 6.682 -5.217 -1.309 523 HA GLU 67 HA GLU 67 8.159 -6.856 -3.005 524 HB2 GLU 67 1HB GLU 67 6.544 -4.760 -3.412 525 HB3 GLU 67 2HB GLU 67 8.090 -3.944 -3.600 526 HG2 GLU 67 1HG GLU 67 6.943 -6.179 -5.230 527 HG3 GLU 67 2HG GLU 67 7.476 -4.584 -5.758 528 H ALA 68 H ALA 68 9.156 -3.670 -1.739 529 HA ALA 68 HA ALA 68 11.878 -4.051 -2.526 530 HB1 ALA 68 1HB ALA 68 10.315 -1.881 -1.804 531 HB2 ALA 68 2HB ALA 68 11.494 -2.018 -0.499 532 HB3 ALA 68 3HB ALA 68 12.041 -1.860 -2.168 533 H THR 69 H THR 69 10.374 -3.714 0.695 534 HA THR 69 HA THR 69 12.719 -4.936 1.916 535 HB THR 69 HB THR 69 11.707 -4.356 4.057 536 HG1 THR 69 1HG THR 69 9.507 -4.660 3.493 537 HG21 THR 69 1HG2 THR 69 12.191 -2.133 3.936 538 HG22 THR 69 2HG2 THR 69 11.196 -1.883 2.502 539 HG23 THR 69 3HG2 THR 69 12.794 -2.613 2.350 540 H GLY 70 H GLY 70 12.518 -6.704 3.438 541 HA2 GLY 70 1HA GLY 70 10.770 -8.768 2.415 542 HA3 GLY 70 2HA GLY 70 12.003 -8.960 3.652 543 H MET 71 H MET 71 9.474 -6.535 3.792 544 HA MET 71 HA MET 71 8.483 -7.804 6.237 545 HB2 MET 71 1HB MET 71 9.213 -5.340 6.101 546 HB3 MET 71 2HB MET 71 7.706 -5.075 5.235 547 HG2 MET 71 1HG MET 71 6.412 -5.735 7.107 548 HG3 MET 71 2HG MET 71 7.834 -6.338 7.956 549 HE1 MET 71 1HE MET 71 6.191 -4.540 9.814 550 HE2 MET 71 2HE MET 71 7.803 -5.204 10.082 551 HE3 MET 71 3HE MET 71 7.493 -3.492 10.379 552 HA PRO 72 HA PRO 72 4.906 -9.251 4.059 553 HB2 PRO 72 1HB PRO 72 3.476 -10.004 6.240 554 HB3 PRO 72 2HB PRO 72 4.841 -10.938 5.617 555 HG2 PRO 72 1HG PRO 72 4.753 -9.004 7.900 556 HG3 PRO 72 2HG PRO 72 5.556 -10.582 7.801 557 HD2 PRO 72 1HD PRO 72 6.893 -8.246 7.500 558 HD3 PRO 72 2HD PRO 72 7.362 -9.732 6.649 559 H ALA 73 H ALA 73 2.733 -8.663 3.714 560 HA ALA 73 HA ALA 73 2.125 -5.933 4.391 561 HB1 ALA 73 1HB ALA 73 -0.094 -7.199 3.150 562 HB2 ALA 73 2HB ALA 73 1.035 -6.031 2.463 563 HB3 ALA 73 3HB ALA 73 1.378 -7.757 2.354 564 H GLY 74 H GLY 74 2.249 -7.433 6.717 565 HA2 GLY 74 1HA GLY 74 -0.552 -7.265 7.606 566 HA3 GLY 74 2HA GLY 74 0.397 -8.692 7.997 567 H LYS 75 H LYS 75 2.444 -8.289 9.210 568 HA LYS 75 HA LYS 75 1.985 -7.060 11.626 569 HB2 LYS 75 1HB LYS 75 4.616 -7.575 10.233 570 HB3 LYS 75 2HB LYS 75 4.478 -7.096 11.920 571 HG2 LYS 75 1HG LYS 75 3.095 -9.136 12.307 572 HG3 LYS 75 2HG LYS 75 3.469 -9.632 10.655 573 HD2 LYS 75 1HD LYS 75 5.717 -9.967 11.130 574 HD3 LYS 75 2HD LYS 75 5.672 -8.928 12.556 575 HE2 LYS 75 1HE LYS 75 4.676 -10.560 13.869 576 HE3 LYS 75 2HE LYS 75 4.057 -11.445 12.476 577 HZ1 LYS 75 1HZ LYS 75 6.958 -11.217 12.992 578 HZ2 LYS 75 2HZ LYS 75 6.143 -12.346 12.032 579 HZ3 LYS 75 3HZ LYS 75 6.027 -12.430 13.717 580 H GLN 76 H GLN 76 3.654 -5.714 8.799 581 HA GLN 76 HA GLN 76 4.533 -3.319 9.814 582 HB2 GLN 76 1HB GLN 76 4.254 -2.414 7.509 583 HB3 GLN 76 2HB GLN 76 5.074 -3.969 7.563 584 HG2 GLN 76 1HG GLN 76 2.986 -5.084 6.940 585 HG3 GLN 76 2HG GLN 76 2.182 -3.517 6.862 586 HE21 GLN 76 1HE2 GLN 76 5.201 -4.948 5.653 587 HE22 GLN 76 2HE2 GLN 76 5.022 -4.376 4.033 588 H LYS 77 H LYS 77 3.501 -1.809 10.924 589 HA LYS 77 HA LYS 77 0.630 -1.419 10.503 590 HB2 LYS 77 1HB LYS 77 1.599 -1.796 12.813 591 HB3 LYS 77 2HB LYS 77 2.350 -0.212 12.670 592 HG2 LYS 77 1HG LYS 77 0.456 0.370 13.777 593 HG3 LYS 77 2HG LYS 77 -0.128 0.519 12.117 594 HD2 LYS 77 1HD LYS 77 -1.808 -0.756 12.986 595 HD3 LYS 77 2HD LYS 77 -0.708 -2.042 12.486 596 HE2 LYS 77 1HE LYS 77 0.170 -2.210 14.735 597 HE3 LYS 77 2HE LYS 77 -0.819 -0.845 15.253 598 HZ1 LYS 77 1HZ LYS 77 -2.337 -2.959 14.037 599 HZ2 LYS 77 2HZ LYS 77 -2.598 -2.143 15.495 600 HZ3 LYS 77 3HZ LYS 77 -1.525 -3.450 15.437 601 H LEU 78 H LEU 78 0.247 -0.026 8.888 602 HA LEU 78 HA LEU 78 1.976 2.252 8.433 603 HB2 LEU 78 1HB LEU 78 -0.536 1.327 7.051 604 HB3 LEU 78 2HB LEU 78 0.424 2.717 6.550 605 HG LEU 78 HG LEU 78 1.306 -0.169 6.535 606 HD11 LEU 78 1HD1 LEU 78 -0.198 0.209 4.740 607 HD12 LEU 78 2HD1 LEU 78 1.429 0.267 4.064 608 HD13 LEU 78 3HD1 LEU 78 0.543 1.763 4.358 609 HD21 LEU 78 1HD2 LEU 78 3.355 0.711 6.739 610 HD22 LEU 78 2HD2 LEU 78 2.790 2.349 6.411 611 HD23 LEU 78 3HD2 LEU 78 3.127 1.248 5.074 612 H GLN 79 H GLN 79 1.739 4.047 9.578 613 HA GLN 79 HA GLN 79 -0.943 4.770 10.543 614 HB2 GLN 79 1HB GLN 79 1.099 4.425 12.127 615 HB3 GLN 79 2HB GLN 79 1.587 6.017 11.561 616 HG2 GLN 79 1HG GLN 79 -0.821 6.710 12.227 617 HG3 GLN 79 2HG GLN 79 -0.784 5.237 13.195 618 HE21 GLN 79 1HE2 GLN 79 -0.380 5.705 15.226 619 HE22 GLN 79 2HE2 GLN 79 0.766 6.863 15.801 620 H TYR 80 H TYR 80 -1.721 6.871 10.286 621 HA TYR 80 HA TYR 80 -0.158 8.764 8.724 622 HB2 TYR 80 1HB TYR 80 -1.176 7.595 6.927 623 HB3 TYR 80 2HB TYR 80 -2.725 7.512 7.759 624 HD1 TYR 80 1HD TYR 80 -0.328 10.192 6.711 625 HD2 TYR 80 2HD TYR 80 -4.366 8.863 6.886 626 HE1 TYR 80 1HE TYR 80 -1.047 12.245 5.563 627 HE2 TYR 80 2HE TYR 80 -5.096 10.912 5.737 628 HH TYR 80 HH TYR 80 -4.401 12.721 4.578 629 H GLU 81 H GLU 81 -0.280 10.529 9.941 630 HA GLU 81 HA GLU 81 -1.100 12.254 11.175 631 HB2 GLU 81 1HB GLU 81 -3.633 11.459 9.736 632 HB3 GLU 81 2HB GLU 81 -3.507 12.882 10.759 633 HG2 GLU 81 1HG GLU 81 -1.652 12.443 8.449 634 HG3 GLU 81 2HG GLU 81 -3.237 13.184 8.241 635 H GLY 82 H GLY 82 -0.777 9.929 12.576 636 HA2 GLY 82 1HA GLY 82 -1.302 9.055 14.637 637 HA3 GLY 82 2HA GLY 82 -2.469 10.357 14.815 638 H ILE 83 H ILE 83 -2.687 8.252 12.075 639 HA ILE 83 HA ILE 83 -4.938 6.840 13.349 640 HB ILE 83 HB ILE 83 -4.831 7.793 10.485 641 HG12 ILE 83 1HG1 ILE 83 -6.652 8.725 12.709 642 HG13 ILE 83 2HG1 ILE 83 -5.181 9.572 12.240 643 HG21 ILE 83 1HG2 ILE 83 -6.571 5.924 11.944 644 HG22 ILE 83 2HG2 ILE 83 -7.406 7.116 10.949 645 HG23 ILE 83 3HG2 ILE 83 -6.216 6.037 10.220 646 HD11 ILE 83 1HD1 ILE 83 -6.495 9.282 9.855 647 HD12 ILE 83 2HD1 ILE 83 -7.807 9.560 11.000 648 HD13 ILE 83 3HD1 ILE 83 -6.491 10.726 10.868 649 H PHE 84 H PHE 84 -5.307 4.704 12.701 650 HA PHE 84 HA PHE 84 -2.969 3.417 11.486 651 HB2 PHE 84 1HB PHE 84 -5.173 2.374 13.263 652 HB3 PHE 84 2HB PHE 84 -4.032 1.311 12.446 653 HD1 PHE 84 2HD PHE 84 -1.517 1.807 12.858 654 HD2 PHE 84 1HD PHE 84 -4.670 3.195 15.358 655 HE1 PHE 84 2HE PHE 84 0.081 2.103 14.705 656 HE2 PHE 84 1HE PHE 84 -3.077 3.494 17.208 657 HZ PHE 84 HZ PHE 84 -0.698 2.947 16.883 658 H ILE 85 H ILE 85 -3.537 3.904 9.317 659 HA ILE 85 HA ILE 85 -6.027 3.155 8.175 660 HB ILE 85 HB ILE 85 -4.886 3.457 5.993 661 HG12 ILE 85 1HG1 ILE 85 -2.448 4.208 7.608 662 HG13 ILE 85 2HG1 ILE 85 -2.652 2.623 6.870 663 HG21 ILE 85 1HG2 ILE 85 -5.477 5.574 6.287 664 HG22 ILE 85 2HG2 ILE 85 -5.330 5.393 8.034 665 HG23 ILE 85 3HG2 ILE 85 -3.932 5.886 7.078 666 HD11 ILE 85 1HD1 ILE 85 -2.949 3.856 4.674 667 HD12 ILE 85 2HD1 ILE 85 -2.349 5.282 5.522 668 HD13 ILE 85 3HD1 ILE 85 -1.333 3.848 5.378 669 H LYS 86 H LYS 86 -6.642 1.340 7.089 670 HA LYS 86 HA LYS 86 -4.705 -0.867 6.918 671 HB2 LYS 86 1HB LYS 86 -6.442 -2.443 7.620 672 HB3 LYS 86 2HB LYS 86 -6.134 -1.245 8.869 673 HG2 LYS 86 1HG LYS 86 -8.139 -0.061 8.321 674 HG3 LYS 86 2HG LYS 86 -8.411 -1.084 6.908 675 HD2 LYS 86 1HD LYS 86 -9.083 -2.885 8.173 676 HD3 LYS 86 2HD LYS 86 -8.174 -2.361 9.593 677 HE2 LYS 86 1HE LYS 86 -9.893 -0.335 9.450 678 HE3 LYS 86 2HE LYS 86 -10.875 -1.565 8.656 679 HZ1 LYS 86 1HZ LYS 86 -10.659 -2.973 10.574 680 HZ2 LYS 86 2HZ LYS 86 -11.241 -1.463 11.065 681 HZ3 LYS 86 3HZ LYS 86 -9.620 -1.872 11.330 682 H ASP 87 H ASP 87 -5.434 -2.610 5.420 683 HA ASP 87 HA ASP 87 -6.078 -1.535 2.897 684 HB2 ASP 87 1HB ASP 87 -6.437 -4.083 2.369 685 HB3 ASP 87 2HB ASP 87 -4.825 -3.472 2.734 686 H SER 88 H SER 88 -8.050 -2.432 5.501 687 HA SER 88 HA SER 88 -10.352 -3.320 4.108 688 HB2 SER 88 1HB SER 88 -9.936 -3.678 6.549 689 HB3 SER 88 2HB SER 88 -10.246 -1.961 6.810 690 HG SER 88 HG SER 88 -12.005 -4.021 6.318 691 H ASN 89 H ASN 89 -9.152 -0.156 5.032 692 HA ASN 89 HA ASN 89 -11.503 1.078 3.759 693 HB2 ASN 89 1HB ASN 89 -10.838 3.140 5.011 694 HB3 ASN 89 2HB ASN 89 -11.282 1.790 6.052 695 HD21 ASN 89 1HD2 ASN 89 -9.892 1.155 7.558 696 HD22 ASN 89 2HD2 ASN 89 -8.256 1.692 7.699 697 H SER 90 H SER 90 -11.255 2.325 1.997 698 HA SER 90 HA SER 90 -8.840 2.229 0.531 699 HB2 SER 90 1HB SER 90 -11.318 2.553 -0.269 700 HB3 SER 90 2HB SER 90 -10.959 4.266 -0.058 701 HG SER 90 HG SER 90 -10.237 2.622 -2.056 702 H LEU 91 H LEU 91 -7.964 4.375 -0.461 703 HA LEU 91 HA LEU 91 -6.947 5.923 1.759 704 HB2 LEU 91 1HB LEU 91 -6.377 6.142 -1.193 705 HB3 LEU 91 2HB LEU 91 -5.491 6.957 0.094 706 HG LEU 91 HG LEU 91 -5.610 3.997 0.203 707 HD11 LEU 91 1HD1 LEU 91 -4.125 3.583 -1.508 708 HD12 LEU 91 2HD1 LEU 91 -3.586 5.260 -1.591 709 HD13 LEU 91 3HD1 LEU 91 -5.167 4.811 -2.229 710 HD21 LEU 91 1HD2 LEU 91 -3.070 5.424 0.453 711 HD22 LEU 91 2HD2 LEU 91 -3.825 4.250 1.531 712 HD23 LEU 91 3HD2 LEU 91 -4.305 5.947 1.599 713 H ALA 92 H ALA 92 -8.340 6.839 -1.398 714 HA ALA 92 HA ALA 92 -8.764 9.477 -1.081 715 HB1 ALA 92 1HB ALA 92 -10.286 9.370 -2.781 716 HB2 ALA 92 2HB ALA 92 -9.540 7.780 -2.945 717 HB3 ALA 92 3HB ALA 92 -11.090 7.945 -2.121 718 H TYR 93 H TYR 93 -10.709 6.915 0.374 719 HA TYR 93 HA TYR 93 -12.824 8.390 1.371 720 HB2 TYR 93 1HB TYR 93 -12.855 5.999 1.541 721 HB3 TYR 93 2HB TYR 93 -11.405 5.991 2.538 722 HD1 TYR 93 1HD TYR 93 -11.542 7.000 4.865 723 HD2 TYR 93 2HD TYR 93 -14.987 6.147 2.518 724 HE1 TYR 93 1HE TYR 93 -12.932 7.060 6.893 725 HE2 TYR 93 2HE TYR 93 -16.387 6.207 4.540 726 HH TYR 93 HH TYR 93 -16.410 6.958 6.741 727 H TYR 94 H TYR 94 -9.634 7.841 2.820 728 HA TYR 94 HA TYR 94 -10.191 9.326 5.188 729 HB2 TYR 94 1HB TYR 94 -7.741 8.155 3.935 730 HB3 TYR 94 2HB TYR 94 -7.553 9.331 5.231 731 HD1 TYR 94 1HD TYR 94 -9.622 6.293 4.520 732 HD2 TYR 94 2HD TYR 94 -7.308 8.470 7.350 733 HE1 TYR 94 1HE TYR 94 -9.986 4.513 6.178 734 HE2 TYR 94 2HE TYR 94 -7.664 6.696 9.016 735 HH TYR 94 HH TYR 94 -9.983 4.453 8.844 736 H ASN 95 H ASN 95 -9.884 10.330 2.074 737 HA ASN 95 HA ASN 95 -9.610 12.359 1.084 738 HB2 ASN 95 1HB ASN 95 -10.055 13.098 3.943 739 HB3 ASN 95 2HB ASN 95 -9.502 14.349 2.834 740 HD21 ASN 95 1HD2 ASN 95 -11.819 11.659 2.702 741 HD22 ASN 95 2HD2 ASN 95 -13.129 12.599 2.080 742 H MET 96 H MET 96 -7.319 10.793 1.597 743 HA MET 96 HA MET 96 -5.195 12.296 2.706 744 HB2 MET 96 1HB MET 96 -5.342 9.913 0.886 745 HB3 MET 96 2HB MET 96 -3.795 10.673 1.235 746 HG2 MET 96 1HG MET 96 -4.241 10.335 3.653 747 HG3 MET 96 2HG MET 96 -5.693 9.439 3.214 748 HE1 MET 96 1HE MET 96 -5.299 7.416 4.309 749 HE2 MET 96 2HE MET 96 -4.011 6.244 4.026 750 HE3 MET 96 3HE MET 96 -3.710 7.660 5.035 751 H ALA 97 H ALA 97 -3.448 13.340 1.627 752 HA ALA 97 HA ALA 97 -4.152 14.377 -1.042 753 HB1 ALA 97 1HB ALA 97 -4.428 16.130 0.581 754 HB2 ALA 97 2HB ALA 97 -2.820 15.827 1.240 755 HB3 ALA 97 3HB ALA 97 -2.997 16.471 -0.392 756 H SER 98 H SER 98 -2.254 15.176 -2.291 757 HA SER 98 HA SER 98 -0.351 13.160 -2.625 758 HB2 SER 98 1HB SER 98 0.752 14.672 -4.185 759 HB3 SER 98 2HB SER 98 -0.997 14.788 -4.386 760 HG SER 98 HG SER 98 0.744 16.722 -3.782 761 H GLY 99 H GLY 99 2.101 13.707 -2.660 762 HA2 GLY 99 1HA GLY 99 3.971 13.883 -1.329 763 HA3 GLY 99 2HA GLY 99 3.343 15.487 -0.981 764 H ALA 100 H ALA 100 1.974 12.340 -0.103 765 HA ALA 100 HA ALA 100 1.813 13.217 2.665 766 HB1 ALA 100 1HB ALA 100 0.033 11.880 2.823 767 HB2 ALA 100 2HB ALA 100 0.143 11.725 1.069 768 HB3 ALA 100 3HB ALA 100 0.890 10.513 2.110 769 H VAL 101 H VAL 101 2.231 11.413 4.343 770 HA VAL 101 HA VAL 101 4.579 9.803 3.668 771 HB VAL 101 HB VAL 101 5.552 11.844 4.520 772 HG11 VAL 101 1HG1 VAL 101 3.275 11.822 6.242 773 HG12 VAL 101 2HG1 VAL 101 4.741 11.891 7.223 774 HG13 VAL 101 3HG1 VAL 101 4.453 13.107 5.978 775 HG21 VAL 101 1HG2 VAL 101 6.863 10.064 5.189 776 HG22 VAL 101 2HG2 VAL 101 6.539 10.868 6.724 777 HG23 VAL 101 3HG2 VAL 101 5.629 9.426 6.275 778 H ILE 102 H ILE 102 4.027 7.804 4.216 779 HA ILE 102 HA ILE 102 2.214 7.358 6.464 780 HB ILE 102 HB ILE 102 3.270 5.397 4.424 781 HG12 ILE 102 1HG1 ILE 102 1.797 7.120 3.451 782 HG13 ILE 102 2HG1 ILE 102 1.043 5.529 3.427 783 HG21 ILE 102 1HG2 ILE 102 1.846 3.783 5.324 784 HG22 ILE 102 2HG2 ILE 102 2.555 4.557 6.741 785 HG23 ILE 102 3HG2 ILE 102 0.918 4.975 6.235 786 HD11 ILE 102 1HD1 ILE 102 0.028 7.929 4.488 787 HD12 ILE 102 2HD1 ILE 102 -0.703 6.324 4.517 788 HD13 ILE 102 3HD1 ILE 102 0.331 6.846 5.847 789 H HIS 103 H HIS 103 3.085 7.071 8.401 790 HA HIS 103 HA HIS 103 5.826 6.285 8.744 791 HB2 HIS 103 1HB HIS 103 3.631 6.671 10.791 792 HB3 HIS 103 2HB HIS 103 5.343 6.473 11.154 793 HD1 HIS 103 1HD HIS 103 6.484 8.612 11.586 794 HD2 HIS 103 2HD HIS 103 3.302 9.076 8.954 795 HE1 HIS 103 1HE HIS 103 6.396 11.071 11.064 796 HE2 HIS 103 2HE HIS 103 4.410 11.339 9.537 797 H LEU 104 H LEU 104 6.632 4.324 9.204 798 HA LEU 104 HA LEU 104 4.742 2.088 9.336 799 HB2 LEU 104 1HB LEU 104 6.406 1.994 7.566 800 HB3 LEU 104 2HB LEU 104 7.699 2.144 8.754 801 HG LEU 104 HG LEU 104 6.938 -0.057 9.707 802 HD11 LEU 104 1HD1 LEU 104 5.612 -0.734 7.168 803 HD12 LEU 104 2HD1 LEU 104 4.696 0.306 8.259 804 HD13 LEU 104 3HD1 LEU 104 5.266 -1.269 8.813 805 HD21 LEU 104 1HD2 LEU 104 8.640 0.515 7.633 806 HD22 LEU 104 2HD2 LEU 104 7.620 -0.756 6.958 807 HD23 LEU 104 3HD2 LEU 104 8.507 -1.040 8.457 808 H ALA 105 H ALA 105 4.635 0.725 11.043 809 HA ALA 105 HA ALA 105 6.651 0.881 13.147 810 HB1 ALA 105 1HB ALA 105 4.406 2.404 13.396 811 HB2 ALA 105 2HB ALA 105 3.931 0.923 14.228 812 HB3 ALA 105 3HB ALA 105 5.372 1.799 14.742 813 H LEU 106 H LEU 106 6.088 -0.766 14.930 814 HA LEU 106 HA LEU 106 5.662 -3.298 13.629 815 HB2 LEU 106 1HB LEU 106 6.588 -2.368 16.282 816 HB3 LEU 106 2HB LEU 106 5.861 -3.972 16.212 817 HG LEU 106 HG LEU 106 8.258 -3.054 14.624 818 HD11 LEU 106 1HD1 LEU 106 9.236 -4.981 16.131 819 HD12 LEU 106 2HD1 LEU 106 7.929 -4.487 17.208 820 HD13 LEU 106 3HD1 LEU 106 9.150 -3.316 16.709 821 HD21 LEU 106 1HD2 LEU 106 7.672 -4.732 13.269 822 HD22 LEU 106 2HD2 LEU 106 6.482 -5.359 14.410 823 HD23 LEU 106 3HD2 LEU 106 8.183 -5.796 14.580 824 H LYS 107 H LYS 107 4.059 -4.820 14.113 825 HA LYS 107 HA LYS 107 1.466 -3.798 14.494 826 HB2 LYS 107 1HB LYS 107 2.114 -5.921 13.275 827 HB3 LYS 107 2HB LYS 107 2.295 -6.678 14.852 828 HG2 LYS 107 1HG LYS 107 -0.047 -6.264 15.342 829 HG3 LYS 107 2HG LYS 107 -0.241 -5.446 13.791 830 HD2 LYS 107 1HD LYS 107 0.276 -7.500 12.610 831 HD3 LYS 107 2HD LYS 107 0.581 -8.329 14.138 832 HE2 LYS 107 1HE LYS 107 -1.600 -8.954 13.467 833 HE3 LYS 107 2HE LYS 107 -1.800 -7.783 14.770 834 HZ1 LYS 107 1HZ LYS 107 -1.789 -6.216 12.582 835 HZ2 LYS 107 2HZ LYS 107 -3.184 -6.785 13.350 836 HZ3 LYS 107 3HZ LYS 107 -2.571 -7.598 11.999 837 H GLU 108 H GLU 108 0.409 -3.278 16.287 838 HA GLU 108 HA GLU 108 1.569 -3.835 18.870 839 HB2 GLU 108 1HB GLU 108 -0.863 -2.296 17.977 840 HB3 GLU 108 2HB GLU 108 -0.489 -2.554 19.675 841 HG2 GLU 108 1HG GLU 108 1.191 -1.094 17.652 842 HG3 GLU 108 2HG GLU 108 0.307 -0.396 19.008 843 H ARG 109 H ARG 109 0.897 -6.211 17.670 844 HA ARG 109 HA ARG 109 -0.479 -8.064 17.769 845 HB2 ARG 109 1HB ARG 109 -0.187 -7.212 20.653 846 HB3 ARG 109 2HB ARG 109 -0.792 -8.785 20.151 847 HG2 ARG 109 1HG ARG 109 1.438 -8.947 18.841 848 HG3 ARG 109 2HG ARG 109 1.966 -7.665 19.933 849 HD2 ARG 109 1HD ARG 109 2.617 -9.645 20.997 850 HD3 ARG 109 2HD ARG 109 1.132 -9.170 21.819 851 HE ARG 109 HE ARG 109 0.184 -10.829 19.965 852 HH11 ARG 109 2HH1 ARG 109 2.904 -11.139 22.117 853 HH12 ARG 109 1HH1 ARG 109 2.795 -12.865 22.216 854 HH21 ARG 109 2HH2 ARG 109 0.030 -13.101 20.088 855 HH22 ARG 109 1HH2 ARG 109 1.160 -13.980 21.061 856 H SER 110 H SER 110 -2.039 -5.900 17.039 857 HA SER 110 HA SER 110 -4.520 -6.361 18.562 858 HB2 SER 110 1HB SER 110 -3.927 -4.065 18.842 859 HB3 SER 110 2HB SER 110 -3.551 -3.884 17.129 860 HG SER 110 HG SER 110 -5.912 -3.593 18.391 861 H GLY 111 H GLY 111 -5.134 -8.136 17.289 862 HA2 GLY 111 1HA GLY 111 -6.945 -8.156 15.473 863 HA3 GLY 111 2HA GLY 111 -5.651 -7.556 14.446 864 HA PRO 112 HA PRO 112 -4.662 -12.158 15.682 865 HB2 PRO 112 1HB PRO 112 -6.829 -13.607 16.440 866 HB3 PRO 112 2HB PRO 112 -5.798 -12.746 17.590 867 HG2 PRO 112 1HG PRO 112 -8.434 -11.930 16.429 868 HG3 PRO 112 2HG PRO 112 -7.858 -11.795 18.100 869 HD2 PRO 112 1HD PRO 112 -7.863 -9.698 16.387 870 HD3 PRO 112 2HD PRO 112 -6.640 -9.889 17.659 871 H SER 113 H SER 113 -4.330 -12.827 13.648 872 HA SER 113 HA SER 113 -6.648 -13.760 12.109 873 HB2 SER 113 1HB SER 113 -4.464 -11.916 11.142 874 HB3 SER 113 2HB SER 113 -5.440 -12.876 10.031 875 HG SER 113 HG SER 113 -7.221 -11.800 11.474 876 H SER 114 H SER 114 -5.836 -15.057 10.132 877 HA SER 114 HA SER 114 -3.711 -16.852 11.087 878 HB2 SER 114 1HB SER 114 -6.028 -17.368 9.210 879 HB3 SER 114 2HB SER 114 -4.764 -18.543 9.574 880 HG SER 114 HG SER 114 -5.985 -19.053 11.201 881 H GLY 115 H GLY 115 -5.097 -15.828 7.957 882 HA2 GLY 115 1HA GLY 115 -3.890 -14.791 6.209 883 HA3 GLY 115 2HA GLY 115 -2.392 -15.276 6.988 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -5.815 29.976 -0.771 2 HA2 GLY 1 1HA GLY 1 -7.942 31.494 -1.106 3 HA3 GLY 1 2HA GLY 1 -8.158 30.406 -2.470 4 H SER 2 H SER 2 -7.585 30.338 1.043 5 HA SER 2 HA SER 2 -9.504 28.113 1.206 6 HB2 SER 2 1HB SER 2 -6.843 28.360 2.619 7 HB3 SER 2 2HB SER 2 -8.092 27.212 3.101 8 HG SER 2 HG SER 2 -6.747 27.342 0.607 9 H SER 3 H SER 3 -11.228 29.101 2.078 10 HA SER 3 HA SER 3 -10.815 30.865 4.392 11 HB2 SER 3 1HB SER 3 -13.167 31.604 3.952 12 HB3 SER 3 2HB SER 3 -12.063 31.929 2.616 13 HG SER 3 HG SER 3 -14.282 30.372 2.678 14 H GLY 4 H GLY 4 -10.787 29.629 6.183 15 HA2 GLY 4 1HA GLY 4 -11.637 28.355 7.899 16 HA3 GLY 4 2HA GLY 4 -13.201 28.451 7.104 17 H SER 5 H SER 5 -10.234 26.629 7.405 18 HA SER 5 HA SER 5 -11.056 24.576 5.560 19 HB2 SER 5 1HB SER 5 -8.683 25.030 5.831 20 HB3 SER 5 2HB SER 5 -8.782 24.678 7.556 21 HG SER 5 HG SER 5 -9.126 22.878 5.395 22 H SER 6 H SER 6 -12.062 22.697 5.992 23 HA SER 6 HA SER 6 -12.846 22.211 8.788 24 HB2 SER 6 1HB SER 6 -14.866 21.238 8.007 25 HB3 SER 6 2HB SER 6 -14.647 22.697 7.042 26 HG SER 6 HG SER 6 -14.240 20.005 6.296 27 H GLY 7 H GLY 7 -12.474 20.261 9.726 28 HA2 GLY 7 1HA GLY 7 -11.770 17.931 8.194 29 HA3 GLY 7 2HA GLY 7 -10.388 18.658 9.001 30 H THR 8 H THR 8 -13.034 16.574 9.316 31 HA THR 8 HA THR 8 -12.311 16.021 12.075 32 HB THR 8 HB THR 8 -14.984 15.902 12.420 33 HG1 THR 8 1HG THR 8 -15.395 16.889 10.380 34 HG21 THR 8 1HG2 THR 8 -14.194 17.104 14.130 35 HG22 THR 8 2HG2 THR 8 -14.407 18.532 13.117 36 HG23 THR 8 3HG2 THR 8 -12.847 17.710 13.168 37 H GLU 9 H GLU 9 -12.271 13.893 12.407 38 HA GLU 9 HA GLU 9 -12.699 12.001 10.452 39 HB2 GLU 9 1HB GLU 9 -11.543 11.819 12.779 40 HB3 GLU 9 2HB GLU 9 -13.130 11.312 13.340 41 HG2 GLU 9 1HG GLU 9 -13.032 9.586 11.450 42 HG3 GLU 9 2HG GLU 9 -11.310 9.957 11.388 43 H ASP 10 H ASP 10 -14.953 13.174 12.902 44 HA ASP 10 HA ASP 10 -17.021 11.326 12.392 45 HB2 ASP 10 1HB ASP 10 -16.712 13.002 14.361 46 HB3 ASP 10 2HB ASP 10 -17.556 14.135 13.309 47 H SER 11 H SER 11 -16.253 14.482 11.013 48 HA SER 11 HA SER 11 -18.351 14.027 8.993 49 HB2 SER 11 1HB SER 11 -17.548 16.481 10.478 50 HB3 SER 11 2HB SER 11 -18.027 16.673 8.792 51 HG SER 11 HG SER 11 -19.684 16.697 10.635 52 H LEU 12 H LEU 12 -16.387 12.772 8.122 53 HA LEU 12 HA LEU 12 -14.355 14.420 6.875 54 HB2 LEU 12 1HB LEU 12 -14.860 11.504 7.172 55 HB3 LEU 12 2HB LEU 12 -13.843 12.043 5.837 56 HG LEU 12 HG LEU 12 -13.217 12.967 8.606 57 HD11 LEU 12 1HD1 LEU 12 -11.802 10.971 8.917 58 HD12 LEU 12 2HD1 LEU 12 -12.535 10.255 7.482 59 HD13 LEU 12 3HD1 LEU 12 -13.525 10.592 8.902 60 HD21 LEU 12 1HD2 LEU 12 -10.917 12.273 7.249 61 HD22 LEU 12 2HD2 LEU 12 -11.588 13.897 7.402 62 HD23 LEU 12 3HD2 LEU 12 -11.966 12.916 5.985 63 H MET 13 H MET 13 -13.852 13.954 4.508 64 HA MET 13 HA MET 13 -16.267 14.469 2.987 65 HB2 MET 13 1HB MET 13 -14.709 15.897 2.157 66 HB3 MET 13 2HB MET 13 -13.365 14.848 2.587 67 HG2 MET 13 1HG MET 13 -13.764 13.468 0.655 68 HG3 MET 13 2HG MET 13 -15.208 14.394 0.254 69 HE1 MET 13 1HE MET 13 -13.565 17.605 0.911 70 HE2 MET 13 2HE MET 13 -13.946 17.789 -0.801 71 HE3 MET 13 3HE MET 13 -15.076 16.959 0.269 72 HA PRO 14 HA PRO 14 -16.759 10.352 1.497 73 HB2 PRO 14 1HB PRO 14 -18.218 10.890 -0.729 74 HB3 PRO 14 2HB PRO 14 -18.887 10.986 0.905 75 HG2 PRO 14 1HG PRO 14 -17.882 13.184 -0.862 76 HG3 PRO 14 2HG PRO 14 -19.332 13.142 0.158 77 HD2 PRO 14 1HD PRO 14 -17.055 14.398 0.914 78 HD3 PRO 14 2HD PRO 14 -18.150 13.623 2.077 79 H GLU 15 H GLU 15 -16.805 9.344 -0.926 80 HA GLU 15 HA GLU 15 -14.113 9.817 -1.921 81 HB2 GLU 15 1HB GLU 15 -15.164 7.509 -1.450 82 HB3 GLU 15 2HB GLU 15 -16.027 7.744 -2.963 83 HG2 GLU 15 1HG GLU 15 -13.665 8.204 -3.936 84 HG3 GLU 15 2HG GLU 15 -13.107 7.362 -2.491 85 H GLU 16 H GLU 16 -17.389 9.549 -3.303 86 HA GLU 16 HA GLU 16 -17.016 10.113 -5.900 87 HB2 GLU 16 1HB GLU 16 -19.101 11.401 -4.130 88 HB3 GLU 16 2HB GLU 16 -19.169 11.344 -5.886 89 HG2 GLU 16 1HG GLU 16 -19.578 9.068 -5.928 90 HG3 GLU 16 2HG GLU 16 -18.936 8.821 -4.305 91 H GLU 17 H GLU 17 -17.590 12.761 -3.575 92 HA GLU 17 HA GLU 17 -16.793 14.809 -5.320 93 HB2 GLU 17 1HB GLU 17 -17.239 14.585 -2.383 94 HB3 GLU 17 2HB GLU 17 -16.369 15.993 -2.975 95 HG2 GLU 17 1HG GLU 17 -18.986 15.201 -4.181 96 HG3 GLU 17 2HG GLU 17 -18.922 16.126 -2.682 97 H PHE 18 H PHE 18 -15.010 13.184 -2.706 98 HA PHE 18 HA PHE 18 -12.667 14.508 -2.627 99 HB2 PHE 18 1HB PHE 18 -12.849 12.619 -1.236 100 HB3 PHE 18 2HB PHE 18 -13.193 11.546 -2.589 101 HD1 PHE 18 2HD PHE 18 -10.548 13.467 -0.888 102 HD2 PHE 18 1HD PHE 18 -11.453 10.504 -3.807 103 HE1 PHE 18 2HE PHE 18 -8.167 12.860 -1.005 104 HE2 PHE 18 1HE PHE 18 -9.073 9.892 -3.928 105 HZ PHE 18 HZ PHE 18 -7.426 11.072 -2.527 106 H LEU 19 H LEU 19 -13.173 11.790 -4.885 107 HA LEU 19 HA LEU 19 -10.893 11.955 -6.362 108 HB2 LEU 19 1HB LEU 19 -13.654 11.477 -7.472 109 HB3 LEU 19 2HB LEU 19 -12.136 11.008 -8.233 110 HG LEU 19 HG LEU 19 -13.180 9.909 -5.624 111 HD11 LEU 19 1HD1 LEU 19 -12.933 8.075 -7.857 112 HD12 LEU 19 2HD1 LEU 19 -14.099 9.360 -8.168 113 HD13 LEU 19 3HD1 LEU 19 -14.278 8.332 -6.746 114 HD21 LEU 19 1HD2 LEU 19 -10.588 9.994 -6.559 115 HD22 LEU 19 2HD2 LEU 19 -11.154 8.402 -7.066 116 HD23 LEU 19 3HD2 LEU 19 -11.227 8.864 -5.365 117 H ARG 20 H ARG 20 -13.670 14.082 -6.514 118 HA ARG 20 HA ARG 20 -12.952 15.410 -8.918 119 HB2 ARG 20 1HB ARG 20 -14.589 16.560 -6.658 120 HB3 ARG 20 2HB ARG 20 -14.644 17.008 -8.357 121 HG2 ARG 20 1HG ARG 20 -15.262 14.196 -7.637 122 HG3 ARG 20 2HG ARG 20 -16.461 15.439 -7.270 123 HD2 ARG 20 1HD ARG 20 -15.218 15.367 -9.980 124 HD3 ARG 20 2HD ARG 20 -16.472 14.194 -9.581 125 HE ARG 20 HE ARG 20 -16.807 17.029 -10.001 126 HH11 ARG 20 2HH1 ARG 20 -18.154 14.129 -8.623 127 HH12 ARG 20 1HH1 ARG 20 -19.780 14.726 -8.630 128 HH21 ARG 20 2HH2 ARG 20 -18.944 17.825 -10.015 129 HH22 ARG 20 1HH2 ARG 20 -20.229 16.828 -9.423 130 H ARG 21 H ARG 21 -12.175 15.909 -5.530 131 HA ARG 21 HA ARG 21 -10.813 18.412 -6.064 132 HB2 ARG 21 1HB ARG 21 -11.426 16.801 -3.621 133 HB3 ARG 21 2HB ARG 21 -10.131 17.988 -3.554 134 HG2 ARG 21 1HG ARG 21 -11.853 19.291 -2.866 135 HG3 ARG 21 2HG ARG 21 -11.999 19.540 -4.607 136 HD2 ARG 21 1HD ARG 21 -13.608 17.562 -4.583 137 HD3 ARG 21 2HD ARG 21 -13.628 17.746 -2.830 138 HE ARG 21 HE ARG 21 -14.980 19.376 -4.737 139 HH11 ARG 21 2HH1 ARG 21 -13.419 19.419 -1.625 140 HH12 ARG 21 1HH1 ARG 21 -14.330 20.774 -1.042 141 HH21 ARG 21 2HH2 ARG 21 -16.184 21.159 -3.981 142 HH22 ARG 21 1HH2 ARG 21 -15.903 21.762 -2.383 143 H ASN 22 H ASN 22 -9.862 15.237 -4.737 144 HA ASN 22 HA ASN 22 -7.096 15.809 -5.542 145 HB2 ASN 22 1HB ASN 22 -8.104 13.648 -3.679 146 HB3 ASN 22 2HB ASN 22 -6.423 14.089 -3.965 147 HD21 ASN 22 1HD2 ASN 22 -9.361 14.892 -2.353 148 HD22 ASN 22 2HD2 ASN 22 -8.726 16.165 -1.372 149 H LYS 23 H LYS 23 -7.691 15.337 -7.781 150 HA LYS 23 HA LYS 23 -8.645 12.852 -8.656 151 HB2 LYS 23 1HB LYS 23 -8.466 14.949 -10.028 152 HB3 LYS 23 2HB LYS 23 -6.736 14.658 -10.146 153 HG2 LYS 23 1HG LYS 23 -8.615 12.503 -10.974 154 HG3 LYS 23 2HG LYS 23 -8.367 13.887 -12.041 155 HD2 LYS 23 1HD LYS 23 -5.966 12.550 -10.906 156 HD3 LYS 23 2HD LYS 23 -6.852 11.716 -12.185 157 HE2 LYS 23 1HE LYS 23 -5.414 12.933 -13.467 158 HE3 LYS 23 2HE LYS 23 -6.722 14.106 -13.321 159 HZ1 LYS 23 1HZ LYS 23 -5.236 15.497 -12.482 160 HZ2 LYS 23 2HZ LYS 23 -4.042 14.301 -12.420 161 HZ3 LYS 23 3HZ LYS 23 -5.108 14.499 -11.121 162 H GLY 24 H GLY 24 -5.414 13.944 -7.824 163 HA2 GLY 24 1HA GLY 24 -3.611 12.614 -7.191 164 HA3 GLY 24 2HA GLY 24 -4.519 11.193 -7.686 165 HA PRO 25 HA PRO 25 -2.908 9.852 -7.776 166 HB2 PRO 25 1HB PRO 25 -0.263 9.254 -7.914 167 HB3 PRO 25 2HB PRO 25 -1.464 8.555 -9.007 168 HG2 PRO 25 1HG PRO 25 0.409 10.845 -9.464 169 HG3 PRO 25 2HG PRO 25 -0.016 9.512 -10.554 170 HD2 PRO 25 1HD PRO 25 -1.105 11.980 -10.779 171 HD3 PRO 25 2HD PRO 25 -1.995 10.502 -11.198 172 H VAL 26 H VAL 26 -1.800 9.705 -5.702 173 HA VAL 26 HA VAL 26 -0.850 12.339 -4.804 174 HB VAL 26 HB VAL 26 -1.476 11.647 -2.544 175 HG11 VAL 26 1HG1 VAL 26 -3.525 11.498 -4.721 176 HG12 VAL 26 2HG1 VAL 26 -3.995 11.318 -3.030 177 HG13 VAL 26 3HG1 VAL 26 -3.207 12.799 -3.574 178 HG21 VAL 26 1HG2 VAL 26 -1.273 9.394 -2.291 179 HG22 VAL 26 2HG2 VAL 26 -3.009 9.478 -2.588 180 HG23 VAL 26 3HG2 VAL 26 -1.911 9.042 -3.897 181 H SER 27 H SER 27 1.167 12.592 -4.079 182 HA SER 27 HA SER 27 2.934 10.281 -4.065 183 HB2 SER 27 1HB SER 27 3.998 12.000 -5.188 184 HB3 SER 27 2HB SER 27 3.314 13.247 -4.146 185 HG SER 27 HG SER 27 5.696 12.348 -3.976 186 H ILE 28 H ILE 28 2.926 9.141 -2.233 187 HA ILE 28 HA ILE 28 2.983 10.602 0.324 188 HB ILE 28 HB ILE 28 1.920 8.829 1.390 189 HG12 ILE 28 1HG1 ILE 28 1.552 6.631 -0.043 190 HG13 ILE 28 2HG1 ILE 28 2.995 7.202 -0.874 191 HG21 ILE 28 1HG2 ILE 28 -0.111 8.556 0.263 192 HG22 ILE 28 2HG2 ILE 28 0.544 10.062 -0.377 193 HG23 ILE 28 3HG2 ILE 28 0.663 8.578 -1.322 194 HD11 ILE 28 1HD1 ILE 28 3.319 7.306 1.991 195 HD12 ILE 28 2HD1 ILE 28 2.893 5.686 1.438 196 HD13 ILE 28 3HD1 ILE 28 4.305 6.504 0.769 197 H LYS 29 H LYS 29 4.663 10.350 1.681 198 HA LYS 29 HA LYS 29 6.886 8.679 0.764 199 HB2 LYS 29 1HB LYS 29 6.640 11.182 2.310 200 HB3 LYS 29 2HB LYS 29 7.895 10.081 2.862 201 HG2 LYS 29 1HG LYS 29 8.786 10.034 0.540 202 HG3 LYS 29 2HG LYS 29 7.606 11.275 0.114 203 HD2 LYS 29 1HD LYS 29 8.643 12.543 2.153 204 HD3 LYS 29 2HD LYS 29 10.012 11.463 1.876 205 HE2 LYS 29 1HE LYS 29 10.403 12.321 -0.263 206 HE3 LYS 29 2HE LYS 29 8.798 13.045 -0.365 207 HZ1 LYS 29 1HZ LYS 29 11.215 14.143 0.684 208 HZ2 LYS 29 2HZ LYS 29 9.953 14.236 1.807 209 HZ3 LYS 29 3HZ LYS 29 9.771 14.922 0.272 210 H VAL 30 H VAL 30 7.221 6.772 1.678 211 HA VAL 30 HA VAL 30 5.942 6.149 4.226 212 HB VAL 30 HB VAL 30 7.400 4.340 2.293 213 HG11 VAL 30 1HG1 VAL 30 5.639 2.907 3.968 214 HG12 VAL 30 2HG1 VAL 30 7.401 2.820 3.911 215 HG13 VAL 30 3HG1 VAL 30 6.607 3.950 5.009 216 HG21 VAL 30 1HG2 VAL 30 4.531 5.099 2.633 217 HG22 VAL 30 2HG2 VAL 30 5.475 4.912 1.155 218 HG23 VAL 30 3HG2 VAL 30 4.947 3.487 2.049 219 H GLN 31 H GLN 31 7.094 6.715 5.963 220 HA GLN 31 HA GLN 31 9.991 6.641 5.926 221 HB2 GLN 31 1HB GLN 31 7.900 7.732 7.730 222 HB3 GLN 31 2HB GLN 31 9.431 7.284 8.470 223 HG2 GLN 31 1HG GLN 31 9.866 9.454 7.967 224 HG3 GLN 31 2HG GLN 31 10.421 8.688 6.479 225 HE21 GLN 31 1HE2 GLN 31 8.284 8.242 5.027 226 HE22 GLN 31 2HE2 GLN 31 7.402 9.691 4.701 227 H VAL 32 H VAL 32 10.742 4.587 5.968 228 HA VAL 32 HA VAL 32 9.579 2.611 7.741 229 HB VAL 32 HB VAL 32 12.034 2.350 6.002 230 HG11 VAL 32 1HG1 VAL 32 11.326 -0.102 6.131 231 HG12 VAL 32 2HG1 VAL 32 12.067 0.606 7.568 232 HG13 VAL 32 3HG1 VAL 32 10.318 0.388 7.492 233 HG21 VAL 32 1HG2 VAL 32 9.142 2.210 5.379 234 HG22 VAL 32 2HG2 VAL 32 10.499 2.698 4.363 235 HG23 VAL 32 3HG2 VAL 32 10.182 0.987 4.650 236 HA PRO 33 HA PRO 33 12.315 3.698 11.076 237 HB2 PRO 33 1HB PRO 33 11.555 1.691 12.738 238 HB3 PRO 33 2HB PRO 33 10.578 3.140 12.472 239 HG2 PRO 33 1HG PRO 33 10.302 0.419 11.255 240 HG3 PRO 33 2HG PRO 33 9.041 1.499 11.877 241 HD2 PRO 33 1HD PRO 33 9.582 1.262 9.234 242 HD3 PRO 33 2HD PRO 33 9.016 2.780 9.961 243 H ASN 34 H ASN 34 13.747 2.266 12.622 244 HA ASN 34 HA ASN 34 15.136 0.266 10.962 245 HB2 ASN 34 1HB ASN 34 16.647 2.046 11.017 246 HB3 ASN 34 2HB ASN 34 16.223 2.483 12.669 247 HD21 ASN 34 1HD2 ASN 34 18.421 2.495 13.223 248 HD22 ASN 34 2HD2 ASN 34 19.295 1.025 13.472 249 H MET 35 H MET 35 15.078 -1.705 11.797 250 HA MET 35 HA MET 35 14.634 -2.007 14.685 251 HB2 MET 35 1HB MET 35 13.905 -3.625 12.295 252 HB3 MET 35 2HB MET 35 14.219 -4.485 13.796 253 HG2 MET 35 1HG MET 35 12.252 -2.226 13.529 254 HG3 MET 35 2HG MET 35 11.830 -3.931 13.393 255 HE1 MET 35 1HE MET 35 10.035 -2.949 16.079 256 HE2 MET 35 2HE MET 35 10.271 -4.183 14.841 257 HE3 MET 35 3HE MET 35 10.531 -4.577 16.541 258 H GLN 36 H GLN 36 16.667 -1.927 15.544 259 HA GLN 36 HA GLN 36 18.762 -3.607 14.405 260 HB2 GLN 36 1HB GLN 36 20.015 -2.498 16.462 261 HB3 GLN 36 2HB GLN 36 19.769 -1.627 14.954 262 HG2 GLN 36 1HG GLN 36 17.918 -0.430 15.865 263 HG3 GLN 36 2HG GLN 36 17.929 -1.421 17.323 264 HE21 GLN 36 1HE2 GLN 36 19.528 -1.093 18.870 265 HE22 GLN 36 2HE2 GLN 36 20.489 0.342 18.906 266 H ASP 37 H ASP 37 16.851 -3.263 17.350 267 HA ASP 37 HA ASP 37 18.005 -4.943 19.115 268 HB2 ASP 37 1HB ASP 37 16.016 -4.058 19.891 269 HB3 ASP 37 2HB ASP 37 15.139 -4.463 18.417 270 H LYS 38 H LYS 38 15.463 -6.211 16.965 271 HA LYS 38 HA LYS 38 17.001 -8.361 15.971 272 HB2 LYS 38 1HB LYS 38 16.664 -8.989 18.434 273 HB3 LYS 38 2HB LYS 38 14.972 -9.234 18.020 274 HG2 LYS 38 1HG LYS 38 16.094 -11.344 17.962 275 HG3 LYS 38 2HG LYS 38 15.679 -10.882 16.310 276 HD2 LYS 38 1HD LYS 38 17.893 -10.367 15.773 277 HD3 LYS 38 2HD LYS 38 18.372 -10.242 17.468 278 HE2 LYS 38 1HE LYS 38 17.577 -12.782 16.047 279 HE3 LYS 38 2HE LYS 38 19.229 -12.288 16.414 280 HZ1 LYS 38 1HZ LYS 38 18.490 -12.241 18.810 281 HZ2 LYS 38 2HZ LYS 38 18.608 -13.772 18.102 282 HZ3 LYS 38 3HZ LYS 38 17.091 -13.054 18.314 283 H THR 39 H THR 39 16.097 -8.836 14.087 284 HA THR 39 HA THR 39 13.374 -9.467 13.730 285 HB THR 39 HB THR 39 13.181 -6.973 14.012 286 HG1 THR 39 1HG THR 39 12.048 -6.858 11.783 287 HG21 THR 39 1HG2 THR 39 15.098 -6.094 12.980 288 HG22 THR 39 2HG2 THR 39 13.787 -5.695 11.870 289 HG23 THR 39 3HG2 THR 39 14.858 -7.052 11.519 290 H GLU 40 H GLU 40 12.848 -9.982 11.506 291 HA GLU 40 HA GLU 40 15.265 -10.478 9.900 292 HB2 GLU 40 1HB GLU 40 13.973 -12.334 8.869 293 HB3 GLU 40 2HB GLU 40 14.229 -12.540 10.596 294 HG2 GLU 40 1HG GLU 40 11.997 -12.018 11.100 295 HG3 GLU 40 2HG GLU 40 11.705 -11.356 9.493 296 H TRP 41 H TRP 41 14.125 -7.983 9.704 297 HA TRP 41 HA TRP 41 13.017 -8.071 6.983 298 HB2 TRP 41 1HB TRP 41 12.112 -6.110 9.098 299 HB3 TRP 41 2HB TRP 41 11.456 -6.307 7.475 300 HD1 TRP 41 HD TRP 41 11.094 -9.464 7.465 301 HE1 TRP 41 1HE TRP 41 9.259 -10.534 8.918 302 HE3 TRP 41 3HE TRP 41 10.430 -5.686 10.845 303 HZ2 TRP 41 2HZ TRP 41 7.732 -9.865 11.196 304 HZ3 TRP 41 3HZ TRP 41 8.762 -5.980 12.630 305 HH2 TRP 41 HH TRP 41 7.441 -8.027 12.800 306 H LYS 42 H LYS 42 13.177 -5.858 5.917 307 HA LYS 42 HA LYS 42 15.880 -4.856 6.365 308 HB2 LYS 42 1HB LYS 42 13.929 -4.336 4.114 309 HB3 LYS 42 2HB LYS 42 15.583 -3.740 4.180 310 HG2 LYS 42 1HG LYS 42 15.115 -6.667 4.420 311 HG3 LYS 42 2HG LYS 42 14.964 -5.906 2.835 312 HD2 LYS 42 1HD LYS 42 17.232 -4.951 3.129 313 HD3 LYS 42 2HD LYS 42 17.373 -5.832 4.652 314 HE2 LYS 42 1HE LYS 42 18.389 -7.326 3.261 315 HE3 LYS 42 2HE LYS 42 16.722 -7.879 3.107 316 HZ1 LYS 42 1HZ LYS 42 18.184 -7.430 1.008 317 HZ2 LYS 42 2HZ LYS 42 17.699 -5.828 1.252 318 HZ3 LYS 42 3HZ LYS 42 16.538 -7.035 1.009 319 H LEU 43 H LEU 43 15.317 -3.716 8.332 320 HA LEU 43 HA LEU 43 13.968 -1.153 7.787 321 HB2 LEU 43 1HB LEU 43 14.045 -2.701 10.372 322 HB3 LEU 43 2HB LEU 43 13.330 -1.104 10.162 323 HG LEU 43 HG LEU 43 12.372 -3.634 8.822 324 HD11 LEU 43 1HD1 LEU 43 11.208 -2.083 11.131 325 HD12 LEU 43 2HD1 LEU 43 11.975 -3.668 11.229 326 HD13 LEU 43 3HD1 LEU 43 10.468 -3.473 10.335 327 HD21 LEU 43 1HD2 LEU 43 10.433 -2.258 8.200 328 HD22 LEU 43 2HD2 LEU 43 11.929 -1.662 7.481 329 HD23 LEU 43 3HD2 LEU 43 11.234 -0.841 8.879 330 H ASN 44 H ASN 44 15.721 0.111 7.375 331 HA ASN 44 HA ASN 44 17.581 0.503 9.612 332 HB2 ASN 44 1HB ASN 44 18.317 0.194 6.698 333 HB3 ASN 44 2HB ASN 44 19.409 0.867 7.905 334 HD21 ASN 44 1HD2 ASN 44 17.760 -1.990 6.802 335 HD22 ASN 44 2HD2 ASN 44 18.700 -3.124 7.706 336 H GLY 45 H GLY 45 15.512 2.121 9.481 337 HA2 GLY 45 1HA GLY 45 14.769 4.274 9.109 338 HA3 GLY 45 2HA GLY 45 16.453 4.673 9.417 339 H GLN 46 H GLN 46 14.046 4.070 6.949 340 HA GLN 46 HA GLN 46 15.628 5.653 5.080 341 HB2 GLN 46 1HB GLN 46 15.323 4.053 3.258 342 HB3 GLN 46 2HB GLN 46 16.236 3.334 4.577 343 HG2 GLN 46 1HG GLN 46 14.151 2.248 5.361 344 HG3 GLN 46 2HG GLN 46 13.332 2.882 3.935 345 HE21 GLN 46 1HE2 GLN 46 12.892 0.623 3.497 346 HE22 GLN 46 2HE2 GLN 46 14.085 -0.330 2.691 347 H GLY 47 H GLY 47 14.323 6.202 3.093 348 HA2 GLY 47 1HA GLY 47 11.446 6.339 3.746 349 HA3 GLY 47 2HA GLY 47 12.326 7.752 3.183 350 H LEU 48 H LEU 48 10.133 5.674 2.183 351 HA LEU 48 HA LEU 48 11.221 5.473 -0.547 352 HB2 LEU 48 1HB LEU 48 9.051 3.810 0.723 353 HB3 LEU 48 2HB LEU 48 9.695 3.614 -0.906 354 HG LEU 48 HG LEU 48 11.243 3.170 1.647 355 HD11 LEU 48 1HD1 LEU 48 9.300 1.557 0.756 356 HD12 LEU 48 2HD1 LEU 48 10.762 0.966 1.545 357 HD13 LEU 48 3HD1 LEU 48 10.646 0.958 -0.214 358 HD21 LEU 48 1HD2 LEU 48 12.947 2.226 0.185 359 HD22 LEU 48 2HD2 LEU 48 12.637 3.914 -0.221 360 HD23 LEU 48 3HD2 LEU 48 11.973 2.628 -1.230 361 H VAL 49 H VAL 49 9.670 5.724 -2.304 362 HA VAL 49 HA VAL 49 7.298 7.310 -1.606 363 HB VAL 49 HB VAL 49 9.302 8.082 -3.732 364 HG11 VAL 49 1HG1 VAL 49 7.349 10.089 -3.109 365 HG12 VAL 49 2HG1 VAL 49 7.727 9.344 -4.663 366 HG13 VAL 49 3HG1 VAL 49 6.546 8.594 -3.588 367 HG21 VAL 49 1HG2 VAL 49 9.694 8.508 -1.155 368 HG22 VAL 49 2HG2 VAL 49 10.088 9.734 -2.360 369 HG23 VAL 49 3HG2 VAL 49 8.582 9.845 -1.448 370 H PHE 50 H PHE 50 5.545 7.010 -2.910 371 HA PHE 50 HA PHE 50 5.840 5.499 -5.386 372 HB2 PHE 50 1HB PHE 50 3.849 4.586 -3.314 373 HB3 PHE 50 2HB PHE 50 4.342 3.760 -4.789 374 HD1 PHE 50 1HD PHE 50 6.845 3.073 -4.923 375 HD2 PHE 50 2HD PHE 50 4.804 3.991 -1.302 376 HE1 PHE 50 1HE PHE 50 8.536 1.815 -3.654 377 HE2 PHE 50 2HE PHE 50 6.493 2.736 -0.028 378 HZ PHE 50 HZ PHE 50 8.363 1.646 -1.204 379 H THR 51 H THR 51 4.742 6.566 -6.878 380 HA THR 51 HA THR 51 2.519 8.290 -6.079 381 HB THR 51 HB THR 51 3.871 8.101 -8.777 382 HG1 THR 51 1HG THR 51 4.415 9.640 -6.470 383 HG21 THR 51 1HG2 THR 51 2.001 10.150 -7.581 384 HG22 THR 51 2HG2 THR 51 1.651 9.057 -8.920 385 HG23 THR 51 3HG2 THR 51 2.850 10.335 -9.115 386 H LEU 52 H LEU 52 0.683 7.121 -5.932 387 HA LEU 52 HA LEU 52 -0.210 5.741 -8.363 388 HB2 LEU 52 1HB LEU 52 -0.793 4.639 -5.635 389 HB3 LEU 52 2HB LEU 52 -0.988 3.856 -7.202 390 HG LEU 52 HG LEU 52 1.669 4.514 -5.932 391 HD11 LEU 52 1HD1 LEU 52 1.052 2.820 -4.564 392 HD12 LEU 52 2HD1 LEU 52 1.586 1.845 -5.933 393 HD13 LEU 52 3HD1 LEU 52 -0.130 2.178 -5.705 394 HD21 LEU 52 1HD2 LEU 52 1.253 2.543 -8.129 395 HD22 LEU 52 2HD2 LEU 52 2.684 3.490 -7.718 396 HD23 LEU 52 3HD2 LEU 52 1.314 4.263 -8.517 397 HA PRO 53 HA PRO 53 -3.874 8.110 -7.782 398 HB2 PRO 53 1HB PRO 53 -5.600 6.601 -9.235 399 HB3 PRO 53 2HB PRO 53 -4.359 7.620 -9.973 400 HG2 PRO 53 1HG PRO 53 -4.329 4.671 -9.458 401 HG3 PRO 53 2HG PRO 53 -3.795 5.561 -10.895 402 HD2 PRO 53 1HD PRO 53 -2.066 4.647 -9.022 403 HD3 PRO 53 2HD PRO 53 -1.776 6.136 -9.943 404 H LEU 54 H LEU 54 -6.138 7.896 -7.022 405 HA LEU 54 HA LEU 54 -6.275 5.936 -4.859 406 HB2 LEU 54 1HB LEU 54 -7.933 8.388 -5.428 407 HB3 LEU 54 2HB LEU 54 -8.142 7.332 -4.033 408 HG LEU 54 HG LEU 54 -6.954 9.139 -3.184 409 HD11 LEU 54 1HD1 LEU 54 -5.833 6.717 -3.083 410 HD12 LEU 54 2HD1 LEU 54 -5.130 8.133 -2.302 411 HD13 LEU 54 3HD1 LEU 54 -4.526 7.601 -3.871 412 HD21 LEU 54 1HD2 LEU 54 -5.337 9.062 -5.723 413 HD22 LEU 54 2HD2 LEU 54 -4.919 10.055 -4.327 414 HD23 LEU 54 3HD2 LEU 54 -6.438 10.328 -5.181 415 H THR 55 H THR 55 -6.818 4.110 -6.129 416 HA THR 55 HA THR 55 -9.625 4.106 -7.024 417 HB THR 55 HB THR 55 -8.666 2.157 -8.576 418 HG1 THR 55 1HG THR 55 -6.483 3.893 -8.063 419 HG21 THR 55 1HG2 THR 55 -8.119 4.839 -9.690 420 HG22 THR 55 2HG2 THR 55 -9.728 4.595 -9.010 421 HG23 THR 55 3HG2 THR 55 -9.148 3.545 -10.302 422 H ASP 56 H ASP 56 -6.905 2.035 -6.030 423 HA ASP 56 HA ASP 56 -8.767 -0.012 -5.115 424 HB2 ASP 56 1HB ASP 56 -5.810 0.116 -5.556 425 HB3 ASP 56 2HB ASP 56 -6.460 -1.104 -4.463 426 H GLN 57 H GLN 57 -7.660 -1.113 -2.962 427 HA GLN 57 HA GLN 57 -8.210 0.833 -0.904 428 HB2 GLN 57 1HB GLN 57 -7.545 -2.110 -0.791 429 HB3 GLN 57 2HB GLN 57 -7.888 -1.132 0.630 430 HG2 GLN 57 1HG GLN 57 -10.122 -0.763 -0.047 431 HG3 GLN 57 2HG GLN 57 -9.813 -1.410 -1.658 432 HE21 GLN 57 1HE2 GLN 57 -9.976 -3.556 -2.004 433 HE22 GLN 57 2HE2 GLN 57 -10.412 -4.708 -0.793 434 H VAL 58 H VAL 58 -6.683 0.271 1.192 435 HA VAL 58 HA VAL 58 -4.183 1.496 0.525 436 HB VAL 58 HB VAL 58 -5.214 0.404 3.145 437 HG11 VAL 58 1HG1 VAL 58 -2.601 1.564 2.377 438 HG12 VAL 58 2HG1 VAL 58 -3.304 2.108 3.902 439 HG13 VAL 58 3HG1 VAL 58 -2.998 0.391 3.633 440 HG21 VAL 58 1HG2 VAL 58 -4.814 3.293 2.483 441 HG22 VAL 58 2HG2 VAL 58 -6.277 2.458 1.959 442 HG23 VAL 58 3HG2 VAL 58 -5.884 2.556 3.676 443 H SER 59 H SER 59 -5.258 -1.692 0.571 444 HA SER 59 HA SER 59 -3.050 -3.096 1.561 445 HB2 SER 59 1HB SER 59 -5.133 -4.243 1.132 446 HB3 SER 59 2HB SER 59 -5.044 -3.852 -0.585 447 HG SER 59 HG SER 59 -2.796 -5.098 0.158 448 H VAL 60 H VAL 60 -3.791 -2.038 -1.749 449 HA VAL 60 HA VAL 60 -1.719 -3.123 -3.155 450 HB VAL 60 HB VAL 60 -1.826 -1.202 -4.672 451 HG11 VAL 60 1HG1 VAL 60 -3.527 -2.640 -5.200 452 HG12 VAL 60 2HG1 VAL 60 -4.311 -2.466 -3.629 453 HG13 VAL 60 3HG1 VAL 60 -4.453 -1.185 -4.833 454 HG21 VAL 60 1HG2 VAL 60 -3.919 0.254 -3.301 455 HG22 VAL 60 2HG2 VAL 60 -2.416 0.245 -2.378 456 HG23 VAL 60 3HG2 VAL 60 -2.430 0.847 -4.036 457 H ILE 61 H ILE 61 -1.518 -0.772 -0.664 458 HA ILE 61 HA ILE 61 1.121 0.160 -1.431 459 HB ILE 61 HB ILE 61 -0.532 0.731 1.031 460 HG12 ILE 61 1HG1 ILE 61 -0.338 3.082 -0.268 461 HG13 ILE 61 2HG1 ILE 61 -0.265 1.986 -1.644 462 HG21 ILE 61 1HG2 ILE 61 1.882 2.281 0.165 463 HG22 ILE 61 2HG2 ILE 61 1.078 2.261 1.734 464 HG23 ILE 61 3HG2 ILE 61 2.028 0.870 1.213 465 HD11 ILE 61 1HD1 ILE 61 -2.491 2.507 0.253 466 HD12 ILE 61 2HD1 ILE 61 -2.510 2.363 -1.505 467 HD13 ILE 61 3HD1 ILE 61 -2.365 0.919 -0.503 468 H LYS 62 H LYS 62 -0.348 -1.942 0.991 469 HA LYS 62 HA LYS 62 1.927 -2.408 2.560 470 HB2 LYS 62 1HB LYS 62 -0.393 -4.263 1.995 471 HB3 LYS 62 2HB LYS 62 0.762 -4.449 3.308 472 HG2 LYS 62 1HG LYS 62 -0.015 -2.056 3.970 473 HG3 LYS 62 2HG LYS 62 -1.423 -2.446 2.978 474 HD2 LYS 62 1HD LYS 62 -2.057 -4.215 4.365 475 HD3 LYS 62 2HD LYS 62 -0.459 -4.327 5.107 476 HE2 LYS 62 1HE LYS 62 -0.804 -2.347 6.359 477 HE3 LYS 62 2HE LYS 62 -2.233 -1.917 5.421 478 HZ1 LYS 62 1HZ LYS 62 -2.352 -4.477 6.779 479 HZ2 LYS 62 2HZ LYS 62 -3.535 -3.278 6.622 480 HZ3 LYS 62 3HZ LYS 62 -2.325 -3.123 7.794 481 H VAL 63 H VAL 63 0.868 -3.797 -0.472 482 HA VAL 63 HA VAL 63 2.648 -6.008 -0.490 483 HB VAL 63 HB VAL 63 0.552 -5.505 -1.986 484 HG11 VAL 63 1HG1 VAL 63 1.011 -4.599 -4.136 485 HG12 VAL 63 2HG1 VAL 63 1.633 -3.450 -2.949 486 HG13 VAL 63 3HG1 VAL 63 2.741 -4.523 -3.805 487 HG21 VAL 63 1HG2 VAL 63 2.962 -6.819 -3.227 488 HG22 VAL 63 2HG2 VAL 63 1.988 -7.559 -1.958 489 HG23 VAL 63 3HG2 VAL 63 1.263 -7.188 -3.522 490 H LYS 64 H LYS 64 2.863 -2.700 -1.703 491 HA LYS 64 HA LYS 64 5.194 -2.887 -3.196 492 HB2 LYS 64 1HB LYS 64 4.340 -0.557 -1.468 493 HB3 LYS 64 2HB LYS 64 5.456 -0.489 -2.826 494 HG2 LYS 64 1HG LYS 64 2.689 -1.509 -3.259 495 HG3 LYS 64 2HG LYS 64 2.969 0.228 -3.119 496 HD2 LYS 64 1HD LYS 64 4.567 -1.490 -4.996 497 HD3 LYS 64 2HD LYS 64 3.013 -0.798 -5.464 498 HE2 LYS 64 1HE LYS 64 3.975 1.445 -4.749 499 HE3 LYS 64 2HE LYS 64 5.541 0.638 -4.696 500 HZ1 LYS 64 1HZ LYS 64 5.236 1.706 -6.815 501 HZ2 LYS 64 2HZ LYS 64 3.776 0.893 -7.071 502 HZ3 LYS 64 3HZ LYS 64 5.230 0.028 -7.037 503 H ILE 65 H ILE 65 4.889 -1.977 0.239 504 HA ILE 65 HA ILE 65 7.542 -1.666 0.874 505 HB ILE 65 HB ILE 65 5.406 -2.918 2.604 506 HG12 ILE 65 1HG1 ILE 65 6.376 -0.074 2.720 507 HG13 ILE 65 2HG1 ILE 65 5.101 -0.548 1.603 508 HG21 ILE 65 1HG2 ILE 65 7.005 -3.270 4.103 509 HG22 ILE 65 2HG2 ILE 65 8.209 -2.518 3.058 510 HG23 ILE 65 3HG2 ILE 65 7.266 -1.527 4.172 511 HD11 ILE 65 1HD1 ILE 65 3.872 -1.465 3.610 512 HD12 ILE 65 2HD1 ILE 65 5.065 -0.623 4.599 513 HD13 ILE 65 3HD1 ILE 65 4.021 0.289 3.509 514 H HIS 66 H HIS 66 5.710 -4.685 1.407 515 HA HIS 66 HA HIS 66 7.773 -6.336 2.123 516 HB2 HIS 66 1HB HIS 66 5.461 -7.077 2.175 517 HB3 HIS 66 2HB HIS 66 5.368 -7.014 0.418 518 HD1 HIS 66 1HD HIS 66 5.648 -9.207 -0.671 519 HD2 HIS 66 2HD HIS 66 7.591 -9.055 2.999 520 HE1 HIS 66 1HE HIS 66 6.613 -11.504 -0.325 521 HE2 HIS 66 2HE HIS 66 7.711 -11.412 1.940 522 H GLU 67 H GLU 67 7.083 -5.029 -1.009 523 HA GLU 67 HA GLU 67 8.517 -6.869 -2.592 524 HB2 GLU 67 1HB GLU 67 6.918 -4.800 -3.173 525 HB3 GLU 67 2HB GLU 67 8.472 -4.010 -3.396 526 HG2 GLU 67 1HG GLU 67 7.310 -6.325 -4.888 527 HG3 GLU 67 2HG GLU 67 7.921 -4.794 -5.511 528 H ALA 68 H ALA 68 9.503 -3.583 -1.605 529 HA ALA 68 HA ALA 68 12.227 -4.000 -2.302 530 HB1 ALA 68 1HB ALA 68 12.384 -1.796 -2.030 531 HB2 ALA 68 2HB ALA 68 10.653 -1.809 -1.691 532 HB3 ALA 68 3HB ALA 68 11.812 -1.886 -0.364 533 H THR 69 H THR 69 10.560 -3.785 0.838 534 HA THR 69 HA THR 69 12.952 -4.830 2.160 535 HB THR 69 HB THR 69 11.878 -4.235 4.262 536 HG1 THR 69 1HG THR 69 9.702 -4.634 3.660 537 HG21 THR 69 1HG2 THR 69 12.639 -2.158 3.996 538 HG22 THR 69 2HG2 THR 69 11.229 -1.729 3.027 539 HG23 THR 69 3HG2 THR 69 12.655 -2.419 2.253 540 H GLY 70 H GLY 70 12.775 -6.581 3.699 541 HA2 GLY 70 1HA GLY 70 11.097 -8.707 2.684 542 HA3 GLY 70 2HA GLY 70 12.323 -8.848 3.936 543 H MET 71 H MET 71 9.718 -6.499 4.005 544 HA MET 71 HA MET 71 8.764 -7.717 6.485 545 HB2 MET 71 1HB MET 71 9.332 -5.185 6.100 546 HB3 MET 71 2HB MET 71 7.719 -5.129 5.402 547 HG2 MET 71 1HG MET 71 6.720 -5.798 7.447 548 HG3 MET 71 2HG MET 71 8.286 -6.183 8.157 549 HE1 MET 71 1HE MET 71 7.650 -3.217 10.421 550 HE2 MET 71 2HE MET 71 6.353 -4.294 9.902 551 HE3 MET 71 3HE MET 71 7.958 -4.944 10.240 552 HA PRO 72 HA PRO 72 5.286 -9.489 4.400 553 HB2 PRO 72 1HB PRO 72 3.856 -10.139 6.614 554 HB3 PRO 72 2HB PRO 72 5.276 -11.049 6.087 555 HG2 PRO 72 1HG PRO 72 5.054 -8.947 8.207 556 HG3 PRO 72 2HG PRO 72 5.934 -10.486 8.245 557 HD2 PRO 72 1HD PRO 72 7.160 -8.117 7.777 558 HD3 PRO 72 2HD PRO 72 7.717 -9.640 7.053 559 H ALA 73 H ALA 73 3.206 -8.923 3.824 560 HA ALA 73 HA ALA 73 2.401 -6.230 4.472 561 HB1 ALA 73 1HB ALA 73 0.621 -6.604 2.821 562 HB2 ALA 73 2HB ALA 73 2.213 -7.016 2.184 563 HB3 ALA 73 3HB ALA 73 1.109 -8.293 2.691 564 H GLY 74 H GLY 74 2.323 -7.681 6.783 565 HA2 GLY 74 1HA GLY 74 -0.537 -7.601 7.388 566 HA3 GLY 74 2HA GLY 74 0.309 -9.105 7.719 567 H LYS 75 H LYS 75 2.639 -8.392 8.802 568 HA LYS 75 HA LYS 75 1.950 -7.665 11.434 569 HB2 LYS 75 1HB LYS 75 4.663 -7.747 10.099 570 HB3 LYS 75 2HB LYS 75 4.398 -7.618 11.833 571 HG2 LYS 75 1HG LYS 75 2.980 -9.815 11.399 572 HG3 LYS 75 2HG LYS 75 4.086 -9.947 10.030 573 HD2 LYS 75 1HD LYS 75 5.300 -11.051 11.625 574 HD3 LYS 75 2HD LYS 75 5.889 -9.407 11.881 575 HE2 LYS 75 1HE LYS 75 3.487 -10.318 13.388 576 HE3 LYS 75 2HE LYS 75 5.072 -10.904 13.892 577 HZ1 LYS 75 1HZ LYS 75 4.195 -8.076 13.699 578 HZ2 LYS 75 2HZ LYS 75 5.790 -8.551 14.002 579 HZ3 LYS 75 3HZ LYS 75 4.569 -8.934 15.108 580 H GLN 76 H GLN 76 3.717 -5.873 8.916 581 HA GLN 76 HA GLN 76 4.148 -3.534 10.384 582 HB2 GLN 76 1HB GLN 76 4.625 -2.467 8.292 583 HB3 GLN 76 2HB GLN 76 5.224 -4.118 8.203 584 HG2 GLN 76 1HG GLN 76 3.098 -4.719 7.014 585 HG3 GLN 76 2HG GLN 76 2.742 -2.994 6.937 586 HE21 GLN 76 1HE2 GLN 76 2.916 -4.410 4.640 587 HE22 GLN 76 2HE2 GLN 76 4.349 -3.981 3.776 588 H LYS 77 H LYS 77 3.070 -1.532 10.412 589 HA LYS 77 HA LYS 77 0.248 -1.607 9.576 590 HB2 LYS 77 1HB LYS 77 0.601 -1.946 12.066 591 HB3 LYS 77 2HB LYS 77 1.220 -0.301 12.117 592 HG2 LYS 77 1HG LYS 77 -0.916 0.541 11.306 593 HG3 LYS 77 2HG LYS 77 -1.540 -1.108 11.220 594 HD2 LYS 77 1HD LYS 77 -2.333 -0.117 13.251 595 HD3 LYS 77 2HD LYS 77 -1.110 -1.318 13.671 596 HE2 LYS 77 1HE LYS 77 -0.362 1.557 13.295 597 HE3 LYS 77 2HE LYS 77 -1.055 1.004 14.819 598 HZ1 LYS 77 1HZ LYS 77 0.890 -0.824 14.270 599 HZ2 LYS 77 2HZ LYS 77 1.014 0.455 15.369 600 HZ3 LYS 77 3HZ LYS 77 1.588 0.640 13.789 601 H LEU 78 H LEU 78 -0.444 0.130 8.480 602 HA LEU 78 HA LEU 78 1.459 2.287 8.006 603 HB2 LEU 78 1HB LEU 78 -1.185 1.684 6.690 604 HB3 LEU 78 2HB LEU 78 -0.048 2.935 6.189 605 HG LEU 78 HG LEU 78 0.506 -0.031 6.128 606 HD11 LEU 78 1HD1 LEU 78 0.153 1.689 3.713 607 HD12 LEU 78 2HD1 LEU 78 -1.256 1.002 4.521 608 HD13 LEU 78 3HD1 LEU 78 -0.002 -0.060 3.880 609 HD21 LEU 78 1HD2 LEU 78 2.521 0.499 5.024 610 HD22 LEU 78 2HD2 LEU 78 2.450 1.565 6.427 611 HD23 LEU 78 3HD2 LEU 78 2.059 2.189 4.823 612 H GLN 79 H GLN 79 1.126 4.397 8.534 613 HA GLN 79 HA GLN 79 -1.396 5.102 9.863 614 HB2 GLN 79 1HB GLN 79 0.498 4.552 11.490 615 HB3 GLN 79 2HB GLN 79 1.279 6.016 10.906 616 HG2 GLN 79 1HG GLN 79 -0.807 7.258 11.557 617 HG3 GLN 79 2HG GLN 79 -1.342 5.779 12.354 618 HE21 GLN 79 1HE2 GLN 79 -0.158 5.005 14.145 619 HE22 GLN 79 2HE2 GLN 79 0.843 6.061 15.075 620 H TYR 80 H TYR 80 -2.272 6.852 8.993 621 HA TYR 80 HA TYR 80 -0.521 8.718 7.534 622 HB2 TYR 80 1HB TYR 80 -1.987 7.825 5.941 623 HB3 TYR 80 2HB TYR 80 -3.347 7.815 7.058 624 HD1 TYR 80 1HD TYR 80 -0.991 10.554 6.121 625 HD2 TYR 80 2HD TYR 80 -5.002 9.133 6.107 626 HE1 TYR 80 1HE TYR 80 -1.746 12.711 5.211 627 HE2 TYR 80 2HE TYR 80 -5.768 11.286 5.196 628 HH TYR 80 HH TYR 80 -4.683 13.828 5.327 629 H GLU 81 H GLU 81 -0.066 10.321 8.931 630 HA GLU 81 HA GLU 81 -0.352 12.157 10.243 631 HB2 GLU 81 1HB GLU 81 -3.150 11.989 9.117 632 HB3 GLU 81 2HB GLU 81 -2.579 13.318 10.117 633 HG2 GLU 81 1HG GLU 81 -1.074 12.572 7.653 634 HG3 GLU 81 2HG GLU 81 -2.556 13.519 7.527 635 H GLY 82 H GLY 82 -0.790 9.451 11.296 636 HA2 GLY 82 1HA GLY 82 -1.024 8.992 13.635 637 HA3 GLY 82 2HA GLY 82 -2.257 10.242 13.719 638 H ILE 83 H ILE 83 -3.555 9.232 11.248 639 HA ILE 83 HA ILE 83 -5.317 7.368 12.523 640 HB ILE 83 HB ILE 83 -5.244 8.300 9.650 641 HG12 ILE 83 1HG1 ILE 83 -7.217 9.183 11.732 642 HG13 ILE 83 2HG1 ILE 83 -5.645 9.966 11.618 643 HG21 ILE 83 1HG2 ILE 83 -7.438 7.402 9.410 644 HG22 ILE 83 2HG2 ILE 83 -6.413 6.125 10.063 645 HG23 ILE 83 3HG2 ILE 83 -7.522 6.994 11.123 646 HD11 ILE 83 1HD1 ILE 83 -6.646 11.326 10.169 647 HD12 ILE 83 2HD1 ILE 83 -6.496 9.993 9.024 648 HD13 ILE 83 3HD1 ILE 83 -7.997 10.221 9.922 649 H PHE 84 H PHE 84 -5.672 5.215 12.040 650 HA PHE 84 HA PHE 84 -3.405 3.849 10.803 651 HB2 PHE 84 1HB PHE 84 -5.705 2.764 12.442 652 HB3 PHE 84 2HB PHE 84 -4.353 1.812 11.838 653 HD1 PHE 84 2HD PHE 84 -1.996 2.552 12.581 654 HD2 PHE 84 1HD PHE 84 -5.586 3.755 14.526 655 HE1 PHE 84 2HE PHE 84 -0.713 3.086 14.611 656 HE2 PHE 84 1HE PHE 84 -4.308 4.292 16.559 657 HZ PHE 84 HZ PHE 84 -1.868 3.956 16.604 658 H ILE 85 H ILE 85 -3.878 4.230 8.616 659 HA ILE 85 HA ILE 85 -6.389 3.592 7.443 660 HB ILE 85 HB ILE 85 -4.974 3.585 5.280 661 HG12 ILE 85 1HG1 ILE 85 -2.957 5.084 6.891 662 HG13 ILE 85 2HG1 ILE 85 -2.861 3.326 6.867 663 HG21 ILE 85 1HG2 ILE 85 -5.821 5.630 5.142 664 HG22 ILE 85 2HG2 ILE 85 -6.068 5.632 6.888 665 HG23 ILE 85 3HG2 ILE 85 -4.560 6.246 6.211 666 HD11 ILE 85 1HD1 ILE 85 -1.846 3.390 4.908 667 HD12 ILE 85 2HD1 ILE 85 -3.200 4.273 4.202 668 HD13 ILE 85 3HD1 ILE 85 -1.879 5.152 4.971 669 H LYS 86 H LYS 86 -7.125 1.558 7.609 670 HA LYS 86 HA LYS 86 -5.357 -0.717 7.397 671 HB2 LYS 86 1HB LYS 86 -7.617 -0.362 8.782 672 HB3 LYS 86 2HB LYS 86 -8.312 -1.053 7.322 673 HG2 LYS 86 1HG LYS 86 -6.907 -3.019 7.558 674 HG3 LYS 86 2HG LYS 86 -6.149 -2.321 8.991 675 HD2 LYS 86 1HD LYS 86 -8.047 -2.597 10.287 676 HD3 LYS 86 2HD LYS 86 -9.120 -2.648 8.886 677 HE2 LYS 86 1HE LYS 86 -7.078 -4.791 9.376 678 HE3 LYS 86 2HE LYS 86 -8.660 -4.838 10.152 679 HZ1 LYS 86 1HZ LYS 86 -9.540 -4.534 7.775 680 HZ2 LYS 86 2HZ LYS 86 -8.971 -6.060 8.233 681 HZ3 LYS 86 3HZ LYS 86 -8.003 -5.046 7.286 682 H ASP 87 H ASP 87 -5.878 -2.520 5.897 683 HA ASP 87 HA ASP 87 -5.938 -1.564 3.211 684 HB2 ASP 87 1HB ASP 87 -6.140 -4.203 2.851 685 HB3 ASP 87 2HB ASP 87 -4.622 -3.431 3.300 686 H SER 88 H SER 88 -8.335 -2.571 5.426 687 HA SER 88 HA SER 88 -10.263 -3.515 3.548 688 HB2 SER 88 1HB SER 88 -10.382 -4.164 5.902 689 HB3 SER 88 2HB SER 88 -10.618 -2.481 6.373 690 HG SER 88 HG SER 88 -12.533 -2.616 4.920 691 H ASN 89 H ASN 89 -9.420 -0.390 4.866 692 HA ASN 89 HA ASN 89 -11.718 0.854 3.543 693 HB2 ASN 89 1HB ASN 89 -10.530 2.938 4.729 694 HB3 ASN 89 2HB ASN 89 -11.633 1.868 5.589 695 HD21 ASN 89 1HD2 ASN 89 -10.923 0.868 7.348 696 HD22 ASN 89 2HD2 ASN 89 -9.277 0.804 7.867 697 H SER 90 H SER 90 -11.524 2.300 1.882 698 HA SER 90 HA SER 90 -9.143 2.130 0.296 699 HB2 SER 90 1HB SER 90 -11.584 3.873 -0.120 700 HB3 SER 90 2HB SER 90 -10.360 3.481 -1.327 701 HG SER 90 HG SER 90 -12.045 2.088 -1.649 702 H LEU 91 H LEU 91 -8.084 4.087 -0.611 703 HA LEU 91 HA LEU 91 -7.220 5.791 1.528 704 HB2 LEU 91 1HB LEU 91 -6.562 5.905 -1.412 705 HB3 LEU 91 2HB LEU 91 -5.711 6.755 -0.124 706 HG LEU 91 HG LEU 91 -5.376 4.264 0.759 707 HD11 LEU 91 1HD1 LEU 91 -6.360 2.906 -0.784 708 HD12 LEU 91 2HD1 LEU 91 -4.748 3.026 -1.489 709 HD13 LEU 91 3HD1 LEU 91 -6.063 4.018 -2.120 710 HD21 LEU 91 1HD2 LEU 91 -3.722 5.489 -1.446 711 HD22 LEU 91 2HD2 LEU 91 -3.181 4.302 -0.258 712 HD23 LEU 91 3HD2 LEU 91 -3.628 5.929 0.260 713 H ALA 92 H ALA 92 -8.777 6.404 -1.621 714 HA ALA 92 HA ALA 92 -9.141 9.087 -1.559 715 HB1 ALA 92 1HB ALA 92 -10.840 6.868 -2.589 716 HB2 ALA 92 2HB ALA 92 -11.477 8.513 -2.616 717 HB3 ALA 92 3HB ALA 92 -9.979 8.133 -3.466 718 H TYR 93 H TYR 93 -11.085 6.694 0.181 719 HA TYR 93 HA TYR 93 -13.088 8.328 1.167 720 HB2 TYR 93 1HB TYR 93 -13.193 5.940 1.473 721 HB3 TYR 93 2HB TYR 93 -11.732 5.953 2.455 722 HD1 TYR 93 1HD TYR 93 -11.824 7.234 4.681 723 HD2 TYR 93 2HD TYR 93 -15.291 6.123 2.480 724 HE1 TYR 93 1HE TYR 93 -13.187 7.486 6.713 725 HE2 TYR 93 2HE TYR 93 -16.664 6.373 4.505 726 HH TYR 93 HH TYR 93 -16.668 7.331 6.621 727 H TYR 94 H TYR 94 -9.948 7.584 2.670 728 HA TYR 94 HA TYR 94 -10.278 9.208 4.934 729 HB2 TYR 94 1HB TYR 94 -7.856 8.139 3.506 730 HB3 TYR 94 2HB TYR 94 -7.695 9.189 4.909 731 HD1 TYR 94 2HD TYR 94 -9.341 8.405 6.931 732 HD2 TYR 94 1HD TYR 94 -7.703 5.883 3.921 733 HE1 TYR 94 2HE TYR 94 -9.611 6.464 8.418 734 HE2 TYR 94 1HE TYR 94 -7.970 3.936 5.399 735 HH TYR 94 HH TYR 94 -9.880 3.727 7.838 736 H ASN 95 H ASN 95 -9.784 10.034 1.678 737 HA ASN 95 HA ASN 95 -9.614 12.047 0.625 738 HB2 ASN 95 1HB ASN 95 -9.710 13.325 3.362 739 HB3 ASN 95 2HB ASN 95 -10.095 14.077 1.816 740 HD21 ASN 95 1HD2 ASN 95 -11.463 11.600 0.923 741 HD22 ASN 95 2HD2 ASN 95 -12.997 11.624 1.718 742 H MET 96 H MET 96 -7.332 10.771 0.764 743 HA MET 96 HA MET 96 -5.265 12.275 2.086 744 HB2 MET 96 1HB MET 96 -5.239 9.953 0.166 745 HB3 MET 96 2HB MET 96 -3.759 10.728 0.715 746 HG2 MET 96 1HG MET 96 -4.203 10.128 2.981 747 HG3 MET 96 2HG MET 96 -5.811 9.542 2.563 748 HE1 MET 96 1HE MET 96 -4.278 6.192 3.462 749 HE2 MET 96 2HE MET 96 -3.448 7.579 4.167 750 HE3 MET 96 3HE MET 96 -5.204 7.594 3.999 751 H ALA 97 H ALA 97 -3.734 13.608 1.153 752 HA ALA 97 HA ALA 97 -4.365 14.537 -1.573 753 HB1 ALA 97 1HB ALA 97 -3.152 16.671 -0.700 754 HB2 ALA 97 2HB ALA 97 -4.835 16.374 -0.263 755 HB3 ALA 97 3HB ALA 97 -3.548 16.015 0.889 756 H SER 98 H SER 98 -2.643 15.091 -2.956 757 HA SER 98 HA SER 98 -0.472 13.371 -2.983 758 HB2 SER 98 1HB SER 98 -1.468 14.937 -4.840 759 HB3 SER 98 2HB SER 98 -0.247 16.072 -4.266 760 HG SER 98 HG SER 98 1.337 14.538 -4.734 761 H GLY 99 H GLY 99 1.698 13.553 -2.450 762 HA2 GLY 99 1HA GLY 99 3.588 14.404 -1.419 763 HA3 GLY 99 2HA GLY 99 2.756 15.942 -1.245 764 H ALA 100 H ALA 100 1.569 12.843 -0.073 765 HA ALA 100 HA ALA 100 1.453 13.951 2.619 766 HB1 ALA 100 1HB ALA 100 -0.520 12.824 1.606 767 HB2 ALA 100 2HB ALA 100 0.384 11.310 1.637 768 HB3 ALA 100 3HB ALA 100 -0.014 12.131 3.147 769 H VAL 101 H VAL 101 1.778 12.103 4.372 770 HA VAL 101 HA VAL 101 4.263 10.648 3.784 771 HB VAL 101 HB VAL 101 4.871 12.734 4.938 772 HG11 VAL 101 1HG1 VAL 101 3.842 13.527 6.767 773 HG12 VAL 101 2HG1 VAL 101 2.538 12.428 6.313 774 HG13 VAL 101 3HG1 VAL 101 3.732 11.934 7.515 775 HG21 VAL 101 1HG2 VAL 101 6.488 11.271 5.508 776 HG22 VAL 101 2HG2 VAL 101 5.761 11.398 7.110 777 HG23 VAL 101 3HG2 VAL 101 5.339 10.049 6.054 778 H ILE 102 H ILE 102 4.056 8.574 4.276 779 HA ILE 102 HA ILE 102 1.998 7.779 6.217 780 HB ILE 102 HB ILE 102 3.371 6.099 4.116 781 HG12 ILE 102 1HG1 ILE 102 1.826 7.859 3.231 782 HG13 ILE 102 2HG1 ILE 102 1.308 6.215 2.873 783 HG21 ILE 102 1HG2 ILE 102 0.857 5.229 5.402 784 HG22 ILE 102 2HG2 ILE 102 2.244 4.284 4.862 785 HG23 ILE 102 3HG2 ILE 102 2.316 5.161 6.390 786 HD11 ILE 102 1HD1 ILE 102 -0.614 6.509 3.933 787 HD12 ILE 102 2HD1 ILE 102 0.187 7.172 5.358 788 HD13 ILE 102 3HD1 ILE 102 -0.212 8.225 4.001 789 H HIS 103 H HIS 103 2.893 7.663 8.190 790 HA HIS 103 HA HIS 103 5.598 6.913 8.663 791 HB2 HIS 103 1HB HIS 103 3.336 6.950 10.667 792 HB3 HIS 103 2HB HIS 103 5.060 7.075 11.005 793 HD1 HIS 103 1HD HIS 103 6.139 9.306 9.599 794 HD2 HIS 103 2HD HIS 103 2.158 9.366 10.788 795 HE1 HIS 103 1HE HIS 103 5.480 11.733 9.622 796 HE2 HIS 103 2HE HIS 103 3.094 11.750 10.427 797 H LEU 104 H LEU 104 6.370 4.926 8.451 798 HA LEU 104 HA LEU 104 4.615 2.626 8.610 799 HB2 LEU 104 1HB LEU 104 6.493 2.993 6.911 800 HB3 LEU 104 2HB LEU 104 7.591 2.564 8.220 801 HG LEU 104 HG LEU 104 6.877 0.757 6.509 802 HD11 LEU 104 1HD1 LEU 104 8.199 0.075 8.300 803 HD12 LEU 104 2HD1 LEU 104 6.760 -0.935 8.436 804 HD13 LEU 104 3HD1 LEU 104 6.957 0.464 9.491 805 HD21 LEU 104 1HD2 LEU 104 4.393 1.431 7.032 806 HD22 LEU 104 2HD2 LEU 104 4.596 0.303 8.372 807 HD23 LEU 104 3HD2 LEU 104 4.827 -0.248 6.711 808 H ALA 105 H ALA 105 4.700 1.007 10.127 809 HA ALA 105 HA ALA 105 6.688 1.037 12.223 810 HB1 ALA 105 1HB ALA 105 3.816 1.385 13.045 811 HB2 ALA 105 2HB ALA 105 5.260 1.457 14.056 812 HB3 ALA 105 3HB ALA 105 4.937 2.737 12.887 813 H LEU 106 H LEU 106 5.799 -0.637 14.022 814 HA LEU 106 HA LEU 106 4.913 -3.001 12.504 815 HB2 LEU 106 1HB LEU 106 7.081 -3.486 13.157 816 HB3 LEU 106 2HB LEU 106 6.909 -2.650 14.699 817 HG LEU 106 HG LEU 106 5.283 -4.564 15.300 818 HD11 LEU 106 1HD1 LEU 106 5.404 -5.339 12.818 819 HD12 LEU 106 2HD1 LEU 106 5.355 -6.535 14.113 820 HD13 LEU 106 3HD1 LEU 106 6.888 -6.138 13.337 821 HD21 LEU 106 1HD2 LEU 106 7.108 -5.902 16.143 822 HD22 LEU 106 2HD2 LEU 106 7.511 -4.191 16.295 823 HD23 LEU 106 3HD2 LEU 106 8.225 -5.155 15.001 824 H LYS 107 H LYS 107 3.165 -4.088 13.184 825 HA LYS 107 HA LYS 107 1.360 -2.983 14.997 826 HB2 LYS 107 1HB LYS 107 0.625 -4.517 13.281 827 HB3 LYS 107 2HB LYS 107 1.593 -5.815 13.969 828 HG2 LYS 107 1HG LYS 107 0.193 -5.789 15.977 829 HG3 LYS 107 2HG LYS 107 -0.785 -4.500 15.271 830 HD2 LYS 107 1HD LYS 107 -0.382 -7.154 13.912 831 HD3 LYS 107 2HD LYS 107 -1.688 -6.869 15.065 832 HE2 LYS 107 1HE LYS 107 -1.309 -4.963 12.805 833 HE3 LYS 107 2HE LYS 107 -2.056 -6.527 12.484 834 HZ1 LYS 107 1HZ LYS 107 -3.025 -4.343 14.217 835 HZ2 LYS 107 2HZ LYS 107 -3.567 -5.930 14.441 836 HZ3 LYS 107 3HZ LYS 107 -3.836 -5.144 12.967 837 H GLU 108 H GLU 108 0.958 -3.248 17.134 838 HA GLU 108 HA GLU 108 2.918 -3.855 18.934 839 HB2 GLU 108 1HB GLU 108 -0.076 -4.064 19.215 840 HB3 GLU 108 2HB GLU 108 1.018 -4.292 20.572 841 HG2 GLU 108 1HG GLU 108 1.955 -1.981 19.901 842 HG3 GLU 108 2HG GLU 108 0.445 -1.813 19.007 843 H ARG 109 H ARG 109 4.068 -5.709 18.417 844 HA ARG 109 HA ARG 109 2.715 -8.221 19.120 845 HB2 ARG 109 1HB ARG 109 4.263 -7.578 16.656 846 HB3 ARG 109 2HB ARG 109 4.448 -9.185 17.346 847 HG2 ARG 109 1HG ARG 109 1.752 -8.013 16.748 848 HG3 ARG 109 2HG ARG 109 2.692 -8.886 15.537 849 HD2 ARG 109 1HD ARG 109 1.414 -10.586 16.401 850 HD3 ARG 109 2HD ARG 109 2.852 -10.703 17.415 851 HE ARG 109 HE ARG 109 0.808 -9.002 18.504 852 HH11 ARG 109 2HH1 ARG 109 1.969 -12.274 18.238 853 HH12 ARG 109 1HH1 ARG 109 1.193 -12.805 19.694 854 HH21 ARG 109 2HH2 ARG 109 -0.218 -9.690 20.421 855 HH22 ARG 109 1HH2 ARG 109 -0.051 -11.335 20.934 856 H SER 110 H SER 110 4.507 -10.009 19.355 857 HA SER 110 HA SER 110 7.045 -9.084 20.339 858 HB2 SER 110 1HB SER 110 4.948 -10.096 22.268 859 HB3 SER 110 2HB SER 110 6.668 -10.030 22.651 860 HG SER 110 HG SER 110 5.818 -8.138 23.377 861 H GLY 111 H GLY 111 8.370 -10.916 21.195 862 HA2 GLY 111 1HA GLY 111 7.999 -13.528 21.306 863 HA3 GLY 111 2HA GLY 111 7.826 -13.287 19.574 864 HA PRO 112 HA PRO 112 12.410 -12.287 20.881 865 HB2 PRO 112 1HB PRO 112 13.202 -13.525 23.163 866 HB3 PRO 112 2HB PRO 112 12.534 -11.889 23.140 867 HG2 PRO 112 1HG PRO 112 11.183 -14.477 23.803 868 HG3 PRO 112 2HG PRO 112 11.059 -12.908 24.620 869 HD2 PRO 112 1HD PRO 112 9.177 -13.804 22.892 870 HD3 PRO 112 2HD PRO 112 9.562 -12.080 23.075 871 H SER 113 H SER 113 14.370 -13.716 20.907 872 HA SER 113 HA SER 113 13.730 -16.522 20.315 873 HB2 SER 113 1HB SER 113 15.600 -14.839 18.635 874 HB3 SER 113 2HB SER 113 15.112 -16.506 18.334 875 HG SER 113 HG SER 113 12.926 -15.655 18.159 876 H SER 114 H SER 114 15.945 -17.734 19.960 877 HA SER 114 HA SER 114 18.068 -16.746 21.673 878 HB2 SER 114 1HB SER 114 18.046 -18.691 23.160 879 HB3 SER 114 2HB SER 114 16.515 -17.822 23.264 880 HG SER 114 HG SER 114 16.195 -19.579 21.362 881 H GLY 115 H GLY 115 19.944 -18.277 21.706 882 HA2 GLY 115 1HA GLY 115 20.372 -20.507 20.245 883 HA3 GLY 115 2HA GLY 115 20.385 -19.250 19.017 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -6.031 32.852 -2.787 2 HA2 GLY 1 1HA GLY 1 -7.879 31.445 -3.728 3 HA3 GLY 1 2HA GLY 1 -7.484 32.184 -5.273 4 H SER 2 H SER 2 -5.459 30.801 -2.691 5 HA SER 2 HA SER 2 -4.055 29.243 -4.735 6 HB2 SER 2 1HB SER 2 -3.345 30.171 -1.969 7 HB3 SER 2 2HB SER 2 -2.478 28.820 -2.698 8 HG SER 2 HG SER 2 -1.398 30.712 -3.199 9 H SER 3 H SER 3 -3.127 27.092 -3.694 10 HA SER 3 HA SER 3 -5.306 25.343 -3.421 11 HB2 SER 3 1HB SER 3 -2.349 25.016 -2.933 12 HB3 SER 3 2HB SER 3 -3.483 23.690 -2.678 13 HG SER 3 HG SER 3 -3.962 23.674 -4.814 14 H GLY 4 H GLY 4 -6.425 24.620 -1.712 15 HA2 GLY 4 1HA GLY 4 -5.731 25.715 0.915 16 HA3 GLY 4 2HA GLY 4 -7.285 25.036 0.455 17 H SER 5 H SER 5 -5.624 24.460 2.793 18 HA SER 5 HA SER 5 -4.514 21.833 2.380 19 HB2 SER 5 1HB SER 5 -4.799 23.695 4.697 20 HB3 SER 5 2HB SER 5 -4.534 21.984 5.029 21 HG SER 5 HG SER 5 -2.517 22.615 4.792 22 H SER 6 H SER 6 -5.314 19.882 3.162 23 HA SER 6 HA SER 6 -7.916 19.241 2.809 24 HB2 SER 6 1HB SER 6 -5.934 17.693 3.329 25 HB3 SER 6 2HB SER 6 -6.340 17.940 5.027 26 HG SER 6 HG SER 6 -7.378 16.165 3.484 27 H GLY 7 H GLY 7 -9.661 18.675 4.301 28 HA2 GLY 7 1HA GLY 7 -10.266 20.839 6.047 29 HA3 GLY 7 2HA GLY 7 -11.229 19.385 5.827 30 H THR 8 H THR 8 -11.137 17.784 7.322 31 HA THR 8 HA THR 8 -9.017 17.443 9.173 32 HB THR 8 HB THR 8 -11.433 18.304 10.667 33 HG1 THR 8 1HG THR 8 -9.956 20.468 10.438 34 HG21 THR 8 1HG2 THR 8 -9.356 17.386 11.719 35 HG22 THR 8 2HG2 THR 8 -9.815 18.986 12.303 36 HG23 THR 8 3HG2 THR 8 -8.498 18.815 11.144 37 H GLU 9 H GLU 9 -9.345 15.658 10.587 38 HA GLU 9 HA GLU 9 -10.732 13.519 9.548 39 HB2 GLU 9 1HB GLU 9 -8.941 13.684 11.464 40 HB3 GLU 9 2HB GLU 9 -10.353 13.705 12.511 41 HG2 GLU 9 1HG GLU 9 -10.131 11.586 10.434 42 HG3 GLU 9 2HG GLU 9 -9.158 11.461 11.898 43 H ASP 10 H ASP 10 -11.776 15.769 12.080 44 HA ASP 10 HA ASP 10 -14.178 14.548 12.775 45 HB2 ASP 10 1HB ASP 10 -13.584 16.289 14.188 46 HB3 ASP 10 2HB ASP 10 -13.183 17.371 12.856 47 H SER 11 H SER 11 -13.534 16.969 10.257 48 HA SER 11 HA SER 11 -16.123 16.254 9.042 49 HB2 SER 11 1HB SER 11 -14.821 18.940 9.386 50 HB3 SER 11 2HB SER 11 -15.949 18.662 8.060 51 HG SER 11 HG SER 11 -16.539 18.143 10.785 52 H LEU 12 H LEU 12 -14.712 14.615 7.982 53 HA LEU 12 HA LEU 12 -12.828 15.565 6.014 54 HB2 LEU 12 1HB LEU 12 -13.912 12.847 6.701 55 HB3 LEU 12 2HB LEU 12 -12.818 13.116 5.346 56 HG LEU 12 HG LEU 12 -12.036 13.964 8.109 57 HD11 LEU 12 1HD1 LEU 12 -11.073 11.815 8.546 58 HD12 LEU 12 2HD1 LEU 12 -11.595 11.208 6.975 59 HD13 LEU 12 3HD1 LEU 12 -12.791 11.599 8.211 60 HD21 LEU 12 1HD2 LEU 12 -10.405 12.946 5.789 61 HD22 LEU 12 2HD2 LEU 12 -9.815 13.714 7.263 62 HD23 LEU 12 3HD2 LEU 12 -10.739 14.652 6.089 63 H MET 13 H MET 13 -13.045 14.663 3.721 64 HA MET 13 HA MET 13 -15.661 15.468 2.720 65 HB2 MET 13 1HB MET 13 -12.921 15.283 1.597 66 HB3 MET 13 2HB MET 13 -14.252 15.021 0.478 67 HG2 MET 13 1HG MET 13 -14.987 17.172 0.623 68 HG3 MET 13 2HG MET 13 -14.371 17.388 2.260 69 HE1 MET 13 1HE MET 13 -12.632 18.844 -1.519 70 HE2 MET 13 2HE MET 13 -12.915 17.107 -1.639 71 HE3 MET 13 3HE MET 13 -14.228 18.184 -1.158 72 HA PRO 14 HA PRO 14 -17.103 11.485 1.581 73 HB2 PRO 14 1HB PRO 14 -18.182 11.908 -0.874 74 HB3 PRO 14 2HB PRO 14 -18.919 12.510 0.616 75 HG2 PRO 14 1HG PRO 14 -17.211 13.957 -1.372 76 HG3 PRO 14 2HG PRO 14 -18.687 14.505 -0.557 77 HD2 PRO 14 1HD PRO 14 -16.214 15.258 0.248 78 HD3 PRO 14 2HD PRO 14 -17.565 15.052 1.381 79 H GLU 15 H GLU 15 -17.255 10.062 -0.632 80 HA GLU 15 HA GLU 15 -14.458 9.685 -1.401 81 HB2 GLU 15 1HB GLU 15 -15.913 7.810 -0.452 82 HB3 GLU 15 2HB GLU 15 -16.749 7.821 -1.999 83 HG2 GLU 15 1HG GLU 15 -14.551 7.411 -3.102 84 HG3 GLU 15 2HG GLU 15 -13.848 7.210 -1.498 85 H GLU 16 H GLU 16 -17.674 10.052 -2.836 86 HA GLU 16 HA GLU 16 -16.894 9.820 -5.526 87 HB2 GLU 16 1HB GLU 16 -19.022 11.011 -6.021 88 HB3 GLU 16 2HB GLU 16 -19.218 9.651 -4.925 89 HG2 GLU 16 1HG GLU 16 -19.408 11.107 -3.041 90 HG3 GLU 16 2HG GLU 16 -18.990 12.510 -4.023 91 H GLU 17 H GLU 17 -17.190 12.643 -3.405 92 HA GLU 17 HA GLU 17 -16.478 14.527 -5.425 93 HB2 GLU 17 1HB GLU 17 -17.709 14.832 -3.103 94 HB3 GLU 17 2HB GLU 17 -16.072 15.117 -2.527 95 HG2 GLU 17 1HG GLU 17 -15.829 16.889 -4.238 96 HG3 GLU 17 2HG GLU 17 -17.520 16.648 -4.674 97 H PHE 18 H PHE 18 -14.720 13.206 -2.621 98 HA PHE 18 HA PHE 18 -12.335 14.405 -2.713 99 HB2 PHE 18 1HB PHE 18 -12.801 12.549 -1.198 100 HB3 PHE 18 2HB PHE 18 -12.743 11.412 -2.541 101 HD1 PHE 18 2HD PHE 18 -10.536 14.186 -1.365 102 HD2 PHE 18 1HD PHE 18 -10.883 10.085 -2.450 103 HE1 PHE 18 2HE PHE 18 -8.120 13.889 -1.002 104 HE2 PHE 18 1HE PHE 18 -8.468 9.781 -2.088 105 HZ PHE 18 HZ PHE 18 -7.083 11.684 -1.365 106 H LEU 19 H LEU 19 -12.943 11.498 -4.693 107 HA LEU 19 HA LEU 19 -10.672 11.462 -6.198 108 HB2 LEU 19 1HB LEU 19 -13.447 10.941 -7.254 109 HB3 LEU 19 2HB LEU 19 -11.939 10.338 -7.937 110 HG LEU 19 HG LEU 19 -13.069 9.576 -5.245 111 HD11 LEU 19 1HD1 LEU 19 -12.771 7.577 -7.381 112 HD12 LEU 19 2HD1 LEU 19 -14.038 8.777 -7.634 113 HD13 LEU 19 3HD1 LEU 19 -14.046 7.780 -6.179 114 HD21 LEU 19 1HD2 LEU 19 -11.304 7.783 -5.426 115 HD22 LEU 19 2HD2 LEU 19 -10.709 9.418 -5.133 116 HD23 LEU 19 3HD2 LEU 19 -10.608 8.719 -6.749 117 H ARG 20 H ARG 20 -13.499 13.516 -6.671 118 HA ARG 20 HA ARG 20 -12.788 14.602 -9.159 119 HB2 ARG 20 1HB ARG 20 -14.301 16.026 -6.968 120 HB3 ARG 20 2HB ARG 20 -14.389 16.335 -8.697 121 HG2 ARG 20 1HG ARG 20 -15.101 13.627 -7.695 122 HG3 ARG 20 2HG ARG 20 -16.244 14.953 -7.464 123 HD2 ARG 20 1HD ARG 20 -16.570 15.241 -9.730 124 HD3 ARG 20 2HD ARG 20 -15.021 14.513 -10.151 125 HE ARG 20 HE ARG 20 -16.950 12.715 -8.962 126 HH11 ARG 20 2HH1 ARG 20 -15.621 14.043 -11.893 127 HH12 ARG 20 1HH1 ARG 20 -16.153 12.726 -12.885 128 HH21 ARG 20 2HH2 ARG 20 -17.656 10.975 -10.258 129 HH22 ARG 20 1HH2 ARG 20 -17.312 10.982 -11.954 130 H ARG 21 H ARG 21 -11.827 15.419 -5.888 131 HA ARG 21 HA ARG 21 -10.415 17.804 -6.750 132 HB2 ARG 21 1HB ARG 21 -10.751 16.458 -4.072 133 HB3 ARG 21 2HB ARG 21 -9.705 17.852 -4.308 134 HG2 ARG 21 1HG ARG 21 -12.516 18.053 -5.237 135 HG3 ARG 21 2HG ARG 21 -12.206 18.095 -3.500 136 HD2 ARG 21 1HD ARG 21 -12.068 20.327 -4.016 137 HD3 ARG 21 2HD ARG 21 -10.380 19.846 -4.180 138 HE ARG 21 HE ARG 21 -11.277 19.523 -6.677 139 HH11 ARG 21 2HH1 ARG 21 -11.644 22.148 -4.419 140 HH12 ARG 21 1HH1 ARG 21 -11.735 23.365 -5.648 141 HH21 ARG 21 2HH2 ARG 21 -11.395 21.117 -8.305 142 HH22 ARG 21 1HH2 ARG 21 -11.594 22.778 -7.858 143 H ASN 22 H ASN 22 -9.437 14.896 -4.923 144 HA ASN 22 HA ASN 22 -6.712 15.237 -5.920 145 HB2 ASN 22 1HB ASN 22 -7.811 13.354 -3.820 146 HB3 ASN 22 2HB ASN 22 -6.109 13.541 -4.233 147 HD21 ASN 22 1HD2 ASN 22 -8.925 15.265 -3.006 148 HD22 ASN 22 2HD2 ASN 22 -8.039 16.398 -2.048 149 H LYS 23 H LYS 23 -6.938 14.533 -8.051 150 HA LYS 23 HA LYS 23 -8.067 11.960 -8.660 151 HB2 LYS 23 1HB LYS 23 -7.316 12.421 -10.955 152 HB3 LYS 23 2HB LYS 23 -8.217 13.773 -10.281 153 HG2 LYS 23 1HG LYS 23 -5.795 14.604 -9.633 154 HG3 LYS 23 2HG LYS 23 -5.344 13.568 -10.990 155 HD2 LYS 23 1HD LYS 23 -7.611 15.458 -11.358 156 HD3 LYS 23 2HD LYS 23 -5.974 16.117 -11.332 157 HE2 LYS 23 1HE LYS 23 -6.437 15.668 -13.596 158 HE3 LYS 23 2HE LYS 23 -5.393 14.353 -13.060 159 HZ1 LYS 23 1HZ LYS 23 -6.944 12.920 -13.674 160 HZ2 LYS 23 2HZ LYS 23 -7.944 14.182 -14.191 161 HZ3 LYS 23 3HZ LYS 23 -8.054 13.613 -12.602 162 H GLY 24 H GLY 24 -4.822 13.321 -8.338 163 HA2 GLY 24 1HA GLY 24 -2.976 12.049 -7.555 164 HA3 GLY 24 2HA GLY 24 -3.781 10.589 -8.112 165 HA PRO 25 HA PRO 25 -1.881 9.524 -8.115 166 HB2 PRO 25 1HB PRO 25 0.827 9.359 -8.237 167 HB3 PRO 25 2HB PRO 25 -0.241 8.457 -9.319 168 HG2 PRO 25 1HG PRO 25 1.241 11.011 -9.814 169 HG3 PRO 25 2HG PRO 25 1.042 9.608 -10.881 170 HD2 PRO 25 1HD PRO 25 -0.431 11.864 -11.151 171 HD3 PRO 25 2HD PRO 25 -1.068 10.254 -11.547 172 H VAL 26 H VAL 26 -0.652 9.571 -6.064 173 HA VAL 26 HA VAL 26 -0.014 12.334 -5.251 174 HB VAL 26 HB VAL 26 -0.792 11.754 -2.989 175 HG11 VAL 26 1HG1 VAL 26 -2.295 12.511 -5.078 176 HG12 VAL 26 2HG1 VAL 26 -3.128 11.019 -4.639 177 HG13 VAL 26 3HG1 VAL 26 -2.937 12.306 -3.449 178 HG21 VAL 26 1HG2 VAL 26 -0.687 9.531 -2.579 179 HG22 VAL 26 2HG2 VAL 26 -2.365 9.584 -3.122 180 HG23 VAL 26 3HG2 VAL 26 -1.091 9.093 -4.239 181 H SER 27 H SER 27 1.961 12.673 -4.470 182 HA SER 27 HA SER 27 3.819 10.495 -4.255 183 HB2 SER 27 1HB SER 27 4.109 13.460 -3.729 184 HB3 SER 27 2HB SER 27 5.442 12.309 -3.634 185 HG SER 27 HG SER 27 5.621 12.579 -5.700 186 H ILE 28 H ILE 28 3.622 9.193 -2.538 187 HA ILE 28 HA ILE 28 3.276 10.420 0.115 188 HB ILE 28 HB ILE 28 2.445 8.303 0.908 189 HG12 ILE 28 1HG1 ILE 28 2.028 6.587 -1.118 190 HG13 ILE 28 2HG1 ILE 28 3.510 7.342 -1.693 191 HG21 ILE 28 1HG2 ILE 28 0.513 8.004 -0.828 192 HG22 ILE 28 2HG2 ILE 28 0.654 9.496 0.101 193 HG23 ILE 28 3HG2 ILE 28 1.228 9.438 -1.566 194 HD11 ILE 28 1HD1 ILE 28 4.760 6.257 -0.207 195 HD12 ILE 28 2HD1 ILE 28 3.626 6.562 1.109 196 HD13 ILE 28 3HD1 ILE 28 3.356 5.212 0.007 197 H LYS 29 H LYS 29 4.801 10.189 1.646 198 HA LYS 29 HA LYS 29 7.230 8.715 0.909 199 HB2 LYS 29 1HB LYS 29 7.151 11.240 1.598 200 HB3 LYS 29 2HB LYS 29 7.063 10.600 3.234 201 HG2 LYS 29 1HG LYS 29 9.145 9.214 2.505 202 HG3 LYS 29 2HG LYS 29 9.293 10.456 1.259 203 HD2 LYS 29 1HD LYS 29 8.978 11.151 4.166 204 HD3 LYS 29 2HD LYS 29 10.559 10.822 3.452 205 HE2 LYS 29 1HE LYS 29 10.368 12.653 1.964 206 HE3 LYS 29 2HE LYS 29 8.652 12.852 2.314 207 HZ1 LYS 29 1HZ LYS 29 9.261 14.346 3.816 208 HZ2 LYS 29 2HZ LYS 29 10.899 13.954 3.662 209 HZ3 LYS 29 3HZ LYS 29 9.921 13.091 4.739 210 H VAL 30 H VAL 30 7.656 6.842 1.859 211 HA VAL 30 HA VAL 30 6.136 6.071 4.235 212 HB VAL 30 HB VAL 30 7.858 4.434 2.371 213 HG11 VAL 30 1HG1 VAL 30 6.632 3.816 4.993 214 HG12 VAL 30 2HG1 VAL 30 6.496 2.587 3.734 215 HG13 VAL 30 3HG1 VAL 30 8.085 3.163 4.237 216 HG21 VAL 30 1HG2 VAL 30 4.895 4.785 2.700 217 HG22 VAL 30 2HG2 VAL 30 5.871 4.951 1.240 218 HG23 VAL 30 3HG2 VAL 30 5.581 3.354 1.931 219 H GLN 31 H GLN 31 7.063 6.671 6.091 220 HA GLN 31 HA GLN 31 9.875 7.016 6.407 221 HB2 GLN 31 1HB GLN 31 7.921 8.153 7.683 222 HB3 GLN 31 2HB GLN 31 7.961 6.720 8.701 223 HG2 GLN 31 1HG GLN 31 10.076 8.806 8.325 224 HG3 GLN 31 2HG GLN 31 9.277 8.296 9.811 225 HE21 GLN 31 1HE2 GLN 31 9.655 5.982 10.416 226 HE22 GLN 31 2HE2 GLN 31 11.251 5.360 10.192 227 H VAL 32 H VAL 32 11.174 5.292 6.305 228 HA VAL 32 HA VAL 32 10.347 2.765 7.509 229 HB VAL 32 HB VAL 32 12.841 3.397 5.926 230 HG11 VAL 32 1HG1 VAL 32 11.901 0.642 5.997 231 HG12 VAL 32 2HG1 VAL 32 13.519 1.294 6.260 232 HG13 VAL 32 3HG1 VAL 32 12.356 1.257 7.586 233 HG21 VAL 32 1HG2 VAL 32 10.113 2.959 5.102 234 HG22 VAL 32 2HG2 VAL 32 11.518 3.410 4.136 235 HG23 VAL 32 3HG2 VAL 32 11.176 1.709 4.455 236 HA PRO 33 HA PRO 33 12.651 4.037 11.157 237 HB2 PRO 33 1HB PRO 33 11.791 1.974 12.697 238 HB3 PRO 33 2HB PRO 33 10.812 3.412 12.385 239 HG2 PRO 33 1HG PRO 33 10.694 0.720 11.081 240 HG3 PRO 33 2HG PRO 33 9.364 1.761 11.620 241 HD2 PRO 33 1HD PRO 33 10.133 1.604 9.028 242 HD3 PRO 33 2HD PRO 33 9.478 3.092 9.741 243 H ASN 34 H ASN 34 14.523 3.312 12.146 244 HA ASN 34 HA ASN 34 15.889 1.140 10.772 245 HB2 ASN 34 1HB ASN 34 17.230 3.077 10.963 246 HB3 ASN 34 2HB ASN 34 16.793 3.313 12.653 247 HD21 ASN 34 1HD2 ASN 34 18.856 3.332 13.429 248 HD22 ASN 34 2HD2 ASN 34 19.882 1.942 13.436 249 H MET 35 H MET 35 15.714 -0.853 11.541 250 HA MET 35 HA MET 35 15.281 -1.244 14.416 251 HB2 MET 35 1HB MET 35 14.565 -2.780 11.974 252 HB3 MET 35 2HB MET 35 14.903 -3.702 13.433 253 HG2 MET 35 1HG MET 35 12.942 -1.431 13.375 254 HG3 MET 35 2HG MET 35 12.491 -3.093 13.000 255 HE1 MET 35 1HE MET 35 10.738 -2.046 15.445 256 HE2 MET 35 2HE MET 35 11.702 -1.488 16.812 257 HE3 MET 35 3HE MET 35 11.873 -0.712 15.237 258 H GLN 36 H GLN 36 17.264 -1.246 15.350 259 HA GLN 36 HA GLN 36 19.630 -2.228 14.247 260 HB2 GLN 36 1HB GLN 36 20.603 -1.856 16.315 261 HB3 GLN 36 2HB GLN 36 19.210 -0.784 16.374 262 HG2 GLN 36 1HG GLN 36 18.036 -2.822 17.487 263 HG3 GLN 36 2HG GLN 36 19.686 -3.351 17.811 264 HE21 GLN 36 1HE2 GLN 36 17.135 -1.382 18.802 265 HE22 GLN 36 2HE2 GLN 36 17.960 -0.512 20.046 266 H ASP 37 H ASP 37 17.087 -3.850 16.033 267 HA ASP 37 HA ASP 37 18.134 -6.164 16.902 268 HB2 ASP 37 1HB ASP 37 15.602 -5.835 15.284 269 HB3 ASP 37 2HB ASP 37 16.017 -7.302 16.166 270 H LYS 38 H LYS 38 17.703 -5.276 13.535 271 HA LYS 38 HA LYS 38 18.689 -6.092 11.644 272 HB2 LYS 38 1HB LYS 38 20.635 -6.527 13.253 273 HB3 LYS 38 2HB LYS 38 20.061 -8.188 13.318 274 HG2 LYS 38 1HG LYS 38 21.684 -8.291 11.689 275 HG3 LYS 38 2HG LYS 38 20.215 -8.081 10.734 276 HD2 LYS 38 1HD LYS 38 20.753 -5.553 10.913 277 HD3 LYS 38 2HD LYS 38 22.375 -6.097 11.347 278 HE2 LYS 38 1HE LYS 38 20.995 -7.141 8.900 279 HE3 LYS 38 2HE LYS 38 21.850 -5.600 8.869 280 HZ1 LYS 38 1HZ LYS 38 23.047 -8.206 9.641 281 HZ2 LYS 38 2HZ LYS 38 23.861 -6.726 9.556 282 HZ3 LYS 38 3HZ LYS 38 23.255 -7.440 8.147 283 H THR 39 H THR 39 16.145 -6.909 12.365 284 HA THR 39 HA THR 39 15.820 -9.734 12.226 285 HB THR 39 HB THR 39 14.103 -8.245 13.201 286 HG1 THR 39 1HG THR 39 12.364 -9.384 12.295 287 HG21 THR 39 1HG2 THR 39 12.685 -6.887 11.834 288 HG22 THR 39 2HG2 THR 39 13.445 -7.481 10.358 289 HG23 THR 39 3HG2 THR 39 14.352 -6.449 11.463 290 H GLU 40 H GLU 40 14.017 -10.355 10.376 291 HA GLU 40 HA GLU 40 15.560 -10.290 7.934 292 HB2 GLU 40 1HB GLU 40 13.875 -11.868 7.087 293 HB3 GLU 40 2HB GLU 40 14.532 -12.383 8.634 294 HG2 GLU 40 1HG GLU 40 12.541 -11.507 9.762 295 HG3 GLU 40 2HG GLU 40 11.879 -11.030 8.199 296 H TRP 41 H TRP 41 14.487 -7.771 8.748 297 HA TRP 41 HA TRP 41 12.670 -7.252 6.488 298 HB2 TRP 41 1HB TRP 41 12.632 -5.958 9.222 299 HB3 TRP 41 2HB TRP 41 11.668 -5.422 7.849 300 HD1 TRP 41 HD TRP 41 11.063 -8.621 7.016 301 HE1 TRP 41 1HE TRP 41 9.181 -9.792 8.324 302 HE3 TRP 41 3HE TRP 41 10.859 -5.532 11.085 303 HZ2 TRP 41 2HZ TRP 41 7.793 -9.452 10.758 304 HZ3 TRP 41 3HZ TRP 41 9.225 -6.025 12.858 305 HH2 TRP 41 HH TRP 41 7.725 -7.944 12.696 306 H LYS 42 H LYS 42 13.244 -5.656 5.129 307 HA LYS 42 HA LYS 42 15.852 -4.548 5.287 308 HB2 LYS 42 1HB LYS 42 13.505 -4.026 3.468 309 HB3 LYS 42 2HB LYS 42 15.029 -3.163 3.304 310 HG2 LYS 42 1HG LYS 42 14.948 -6.155 3.310 311 HG3 LYS 42 2HG LYS 42 14.617 -5.233 1.842 312 HD2 LYS 42 1HD LYS 42 17.054 -4.546 3.400 313 HD3 LYS 42 2HD LYS 42 17.063 -6.045 2.467 314 HE2 LYS 42 1HE LYS 42 16.362 -3.337 1.340 315 HE3 LYS 42 2HE LYS 42 17.960 -4.074 1.237 316 HZ1 LYS 42 1HZ LYS 42 17.297 -5.162 -0.555 317 HZ2 LYS 42 2HZ LYS 42 15.759 -4.467 -0.447 318 HZ3 LYS 42 3HZ LYS 42 16.081 -5.935 0.330 319 H LEU 43 H LEU 43 15.449 -3.628 7.512 320 HA LEU 43 HA LEU 43 14.325 -0.913 7.296 321 HB2 LEU 43 1HB LEU 43 14.590 -2.614 9.770 322 HB3 LEU 43 2HB LEU 43 13.887 -1.000 9.686 323 HG LEU 43 HG LEU 43 12.746 -3.406 8.272 324 HD11 LEU 43 1HD1 LEU 43 12.662 -2.692 11.053 325 HD12 LEU 43 2HD1 LEU 43 11.978 -4.096 10.234 326 HD13 LEU 43 3HD1 LEU 43 11.049 -2.601 10.343 327 HD21 LEU 43 1HD2 LEU 43 12.310 -0.723 7.852 328 HD22 LEU 43 2HD2 LEU 43 11.005 -1.172 8.950 329 HD23 LEU 43 3HD2 LEU 43 11.206 -2.030 7.422 330 H ASN 44 H ASN 44 16.064 0.329 6.861 331 HA ASN 44 HA ASN 44 18.230 0.315 8.843 332 HB2 ASN 44 1HB ASN 44 18.563 0.417 5.838 333 HB3 ASN 44 2HB ASN 44 19.849 0.786 6.983 334 HD21 ASN 44 1HD2 ASN 44 21.178 -0.875 6.427 335 HD22 ASN 44 2HD2 ASN 44 20.798 -2.537 6.707 336 H GLY 45 H GLY 45 16.128 2.024 9.029 337 HA2 GLY 45 1HA GLY 45 15.524 4.245 9.073 338 HA3 GLY 45 2HA GLY 45 17.251 4.518 9.258 339 H GLN 46 H GLN 46 14.582 4.402 7.005 340 HA GLN 46 HA GLN 46 15.879 6.302 5.292 341 HB2 GLN 46 1HB GLN 46 15.899 4.964 3.270 342 HB3 GLN 46 2HB GLN 46 16.889 4.191 4.501 343 HG2 GLN 46 1HG GLN 46 15.077 2.636 4.992 344 HG3 GLN 46 2HG GLN 46 14.075 3.415 3.768 345 HE21 GLN 46 1HE2 GLN 46 14.203 0.944 3.266 346 HE22 GLN 46 2HE2 GLN 46 15.376 0.515 2.073 347 H GLY 47 H GLY 47 14.395 6.304 3.090 348 HA2 GLY 47 1HA GLY 47 11.585 6.115 3.946 349 HA3 GLY 47 2HA GLY 47 12.199 7.635 3.313 350 H LEU 48 H LEU 48 10.215 5.405 2.426 351 HA LEU 48 HA LEU 48 11.238 5.196 -0.330 352 HB2 LEU 48 1HB LEU 48 9.277 3.360 1.036 353 HB3 LEU 48 2HB LEU 48 9.939 3.173 -0.586 354 HG LEU 48 HG LEU 48 11.517 2.982 1.979 355 HD11 LEU 48 1HD1 LEU 48 11.527 0.646 1.697 356 HD12 LEU 48 2HD1 LEU 48 10.834 0.756 0.080 357 HD13 LEU 48 3HD1 LEU 48 9.846 1.139 1.490 358 HD21 LEU 48 1HD2 LEU 48 13.077 3.657 0.423 359 HD22 LEU 48 2HD2 LEU 48 12.245 2.866 -0.915 360 HD23 LEU 48 3HD2 LEU 48 13.147 1.902 0.255 361 H VAL 49 H VAL 49 10.152 6.312 -1.802 362 HA VAL 49 HA VAL 49 7.431 7.223 -1.153 363 HB VAL 49 HB VAL 49 9.356 8.358 -3.187 364 HG11 VAL 49 1HG1 VAL 49 7.684 9.608 -3.952 365 HG12 VAL 49 2HG1 VAL 49 6.582 8.612 -3.000 366 HG13 VAL 49 3HG1 VAL 49 7.233 10.105 -2.321 367 HG21 VAL 49 1HG2 VAL 49 8.956 10.285 -1.285 368 HG22 VAL 49 2HG2 VAL 49 9.022 8.812 -0.318 369 HG23 VAL 49 3HG2 VAL 49 10.364 9.228 -1.384 370 H PHE 50 H PHE 50 5.749 6.923 -2.568 371 HA PHE 50 HA PHE 50 6.267 5.564 -5.102 372 HB2 PHE 50 1HB PHE 50 4.167 4.485 -3.233 373 HB3 PHE 50 2HB PHE 50 4.837 3.733 -4.677 374 HD1 PHE 50 1HD PHE 50 7.392 3.206 -4.586 375 HD2 PHE 50 2HD PHE 50 4.940 3.838 -1.165 376 HE1 PHE 50 1HE PHE 50 9.021 1.991 -3.198 377 HE2 PHE 50 2HE PHE 50 6.565 2.624 0.228 378 HZ PHE 50 HZ PHE 50 8.608 1.699 -0.788 379 H THR 51 H THR 51 5.055 6.376 -6.682 380 HA THR 51 HA THR 51 2.928 8.246 -5.994 381 HB THR 51 HB THR 51 2.972 8.523 -8.610 382 HG1 THR 51 1HG THR 51 4.562 7.522 -9.577 383 HG21 THR 51 1HG2 THR 51 4.209 10.405 -8.276 384 HG22 THR 51 2HG2 THR 51 5.464 9.553 -7.377 385 HG23 THR 51 3HG2 THR 51 3.945 9.975 -6.587 386 H LEU 52 H LEU 52 0.950 7.437 -5.761 387 HA LEU 52 HA LEU 52 -0.112 5.695 -7.849 388 HB2 LEU 52 1HB LEU 52 -0.453 5.056 -4.926 389 HB3 LEU 52 2HB LEU 52 -1.044 4.120 -6.297 390 HG LEU 52 HG LEU 52 1.564 4.013 -6.836 391 HD11 LEU 52 1HD1 LEU 52 2.969 4.377 -5.134 392 HD12 LEU 52 2HD1 LEU 52 1.877 3.657 -3.951 393 HD13 LEU 52 3HD1 LEU 52 1.655 5.334 -4.450 394 HD21 LEU 52 1HD2 LEU 52 1.020 1.876 -6.616 395 HD22 LEU 52 2HD2 LEU 52 -0.385 2.311 -5.642 396 HD23 LEU 52 3HD2 LEU 52 1.173 2.026 -4.865 397 HA PRO 53 HA PRO 53 -3.467 8.544 -7.400 398 HB2 PRO 53 1HB PRO 53 -5.241 7.238 -8.987 399 HB3 PRO 53 2HB PRO 53 -3.876 8.160 -9.628 400 HG2 PRO 53 1HG PRO 53 -4.136 5.208 -9.207 401 HG3 PRO 53 2HG PRO 53 -3.448 6.085 -10.586 402 HD2 PRO 53 1HD PRO 53 -1.911 4.967 -8.658 403 HD3 PRO 53 2HD PRO 53 -1.440 6.449 -9.515 404 H LEU 54 H LEU 54 -5.816 8.479 -6.819 405 HA LEU 54 HA LEU 54 -6.212 6.557 -4.661 406 HB2 LEU 54 1HB LEU 54 -7.582 9.124 -5.416 407 HB3 LEU 54 2HB LEU 54 -8.195 8.058 -4.154 408 HG LEU 54 HG LEU 54 -6.899 9.993 -3.299 409 HD11 LEU 54 1HD1 LEU 54 -7.076 8.146 -1.848 410 HD12 LEU 54 2HD1 LEU 54 -5.371 8.597 -1.842 411 HD13 LEU 54 3HD1 LEU 54 -5.911 7.203 -2.778 412 HD21 LEU 54 1HD2 LEU 54 -4.584 8.608 -4.651 413 HD22 LEU 54 2HD2 LEU 54 -4.462 9.975 -3.543 414 HD23 LEU 54 3HD2 LEU 54 -5.269 10.171 -5.100 415 H THR 55 H THR 55 -6.708 4.721 -5.939 416 HA THR 55 HA THR 55 -9.436 4.782 -7.050 417 HB THR 55 HB THR 55 -8.685 2.996 -8.663 418 HG1 THR 55 1HG THR 55 -6.449 2.811 -9.010 419 HG21 THR 55 1HG2 THR 55 -6.997 5.156 -9.552 420 HG22 THR 55 2HG2 THR 55 -8.474 5.784 -8.823 421 HG23 THR 55 3HG2 THR 55 -8.569 4.642 -10.163 422 H ASP 56 H ASP 56 -6.911 2.409 -6.183 423 HA ASP 56 HA ASP 56 -8.921 0.573 -5.202 424 HB2 ASP 56 1HB ASP 56 -5.988 0.462 -5.713 425 HB3 ASP 56 2HB ASP 56 -6.657 -0.665 -4.536 426 H GLN 57 H GLN 57 -7.922 -0.638 -3.059 427 HA GLN 57 HA GLN 57 -8.313 1.322 -0.981 428 HB2 GLN 57 1HB GLN 57 -7.799 -1.652 -0.810 429 HB3 GLN 57 2HB GLN 57 -8.252 -0.620 0.541 430 HG2 GLN 57 1HG GLN 57 -10.324 -0.044 -0.855 431 HG3 GLN 57 2HG GLN 57 -9.896 -1.459 -1.814 432 HE21 GLN 57 1HE2 GLN 57 -11.956 -0.557 0.409 433 HE22 GLN 57 2HE2 GLN 57 -12.093 -1.992 1.362 434 H VAL 58 H VAL 58 -6.835 0.606 1.110 435 HA VAL 58 HA VAL 58 -4.287 1.719 0.532 436 HB VAL 58 HB VAL 58 -5.274 0.356 3.042 437 HG11 VAL 58 1HG1 VAL 58 -3.314 2.132 3.778 438 HG12 VAL 58 2HG1 VAL 58 -3.119 0.383 3.639 439 HG13 VAL 58 3HG1 VAL 58 -2.669 1.431 2.294 440 HG21 VAL 58 1HG2 VAL 58 -4.898 3.294 2.820 441 HG22 VAL 58 2HG2 VAL 58 -6.309 2.582 2.036 442 HG23 VAL 58 3HG2 VAL 58 -6.062 2.370 3.770 443 H SER 59 H SER 59 -5.500 -1.453 0.395 444 HA SER 59 HA SER 59 -3.378 -3.049 1.150 445 HB2 SER 59 1HB SER 59 -4.237 -4.677 -0.561 446 HB3 SER 59 2HB SER 59 -5.480 -4.043 0.517 447 HG SER 59 HG SER 59 -5.948 -2.500 -1.182 448 H VAL 60 H VAL 60 -3.950 -1.528 -2.010 449 HA VAL 60 HA VAL 60 -1.754 -2.542 -3.376 450 HB VAL 60 HB VAL 60 -1.914 -0.575 -4.840 451 HG11 VAL 60 1HG1 VAL 60 -4.520 -0.776 -5.173 452 HG12 VAL 60 2HG1 VAL 60 -3.446 -2.131 -5.529 453 HG13 VAL 60 3HG1 VAL 60 -4.339 -2.087 -4.008 454 HG21 VAL 60 1HG2 VAL 60 -2.719 0.759 -2.574 455 HG22 VAL 60 2HG2 VAL 60 -2.792 1.386 -4.221 456 HG23 VAL 60 3HG2 VAL 60 -4.211 0.622 -3.505 457 H ILE 61 H ILE 61 -1.883 -0.215 -0.844 458 HA ILE 61 HA ILE 61 0.675 0.983 -1.423 459 HB ILE 61 HB ILE 61 -1.006 1.147 1.081 460 HG12 ILE 61 1HG1 ILE 61 -0.757 3.052 -1.257 461 HG13 ILE 61 2HG1 ILE 61 -2.152 2.039 -0.904 462 HG21 ILE 61 1HG2 ILE 61 0.444 2.684 1.932 463 HG22 ILE 61 2HG2 ILE 61 1.583 1.698 1.016 464 HG23 ILE 61 3HG2 ILE 61 0.989 3.216 0.342 465 HD11 ILE 61 1HD1 ILE 61 -2.735 4.152 -0.120 466 HD12 ILE 61 2HD1 ILE 61 -2.250 3.269 1.328 467 HD13 ILE 61 3HD1 ILE 61 -1.145 4.429 0.590 468 H LYS 62 H LYS 62 -0.587 -1.503 0.727 469 HA LYS 62 HA LYS 62 1.822 -1.849 2.209 470 HB2 LYS 62 1HB LYS 62 -0.401 -3.858 1.828 471 HB3 LYS 62 2HB LYS 62 0.769 -3.805 3.140 472 HG2 LYS 62 1HG LYS 62 -0.298 -1.399 3.482 473 HG3 LYS 62 2HG LYS 62 -1.672 -2.187 2.703 474 HD2 LYS 62 1HD LYS 62 -2.003 -3.634 4.444 475 HD3 LYS 62 2HD LYS 62 -0.301 -3.631 4.912 476 HE2 LYS 62 1HE LYS 62 -1.191 -2.417 6.633 477 HE3 LYS 62 2HE LYS 62 -0.819 -1.116 5.502 478 HZ1 LYS 62 1HZ LYS 62 -3.039 -0.880 6.412 479 HZ2 LYS 62 2HZ LYS 62 -3.471 -2.411 5.838 480 HZ3 LYS 62 3HZ LYS 62 -3.116 -1.168 4.747 481 H VAL 63 H VAL 63 0.295 -3.745 -0.393 482 HA VAL 63 HA VAL 63 2.077 -5.774 -0.715 483 HB VAL 63 HB VAL 63 -0.015 -5.249 -2.102 484 HG11 VAL 63 1HG1 VAL 63 0.485 -4.222 -4.317 485 HG12 VAL 63 2HG1 VAL 63 0.585 -3.094 -2.964 486 HG13 VAL 63 3HG1 VAL 63 2.059 -3.741 -3.686 487 HG21 VAL 63 1HG2 VAL 63 1.399 -7.229 -2.422 488 HG22 VAL 63 2HG2 VAL 63 0.753 -6.633 -3.951 489 HG23 VAL 63 3HG2 VAL 63 2.431 -6.309 -3.516 490 H LYS 64 H LYS 64 2.472 -2.434 -1.765 491 HA LYS 64 HA LYS 64 4.753 -2.732 -3.348 492 HB2 LYS 64 1HB LYS 64 3.958 -0.395 -1.601 493 HB3 LYS 64 2HB LYS 64 5.166 -0.341 -2.878 494 HG2 LYS 64 1HG LYS 64 2.371 -1.206 -3.485 495 HG3 LYS 64 2HG LYS 64 2.773 0.508 -3.352 496 HD2 LYS 64 1HD LYS 64 4.206 0.439 -5.185 497 HD3 LYS 64 2HD LYS 64 4.403 -1.312 -5.087 498 HE2 LYS 64 1HE LYS 64 2.167 -1.663 -5.891 499 HE3 LYS 64 2HE LYS 64 1.821 0.064 -5.814 500 HZ1 LYS 64 1HZ LYS 64 4.076 -0.795 -7.463 501 HZ2 LYS 64 2HZ LYS 64 2.988 0.478 -7.700 502 HZ3 LYS 64 3HZ LYS 64 2.520 -1.111 -8.047 503 H ILE 65 H ILE 65 4.562 -1.797 0.090 504 HA ILE 65 HA ILE 65 7.193 -1.592 0.734 505 HB ILE 65 HB ILE 65 5.055 -2.932 2.393 506 HG12 ILE 65 1HG1 ILE 65 6.095 -0.126 2.702 507 HG13 ILE 65 2HG1 ILE 65 4.800 -0.492 1.567 508 HG21 ILE 65 1HG2 ILE 65 7.890 -2.335 2.925 509 HG22 ILE 65 2HG2 ILE 65 6.756 -1.876 4.194 510 HG23 ILE 65 3HG2 ILE 65 6.830 -3.549 3.640 511 HD11 ILE 65 1HD1 ILE 65 4.796 -0.663 4.549 512 HD12 ILE 65 2HD1 ILE 65 3.680 0.181 3.475 513 HD13 ILE 65 3HD1 ILE 65 3.637 -1.578 3.585 514 H HIS 66 H HIS 66 5.401 -4.642 1.213 515 HA HIS 66 HA HIS 66 7.478 -6.315 1.771 516 HB2 HIS 66 1HB HIS 66 5.060 -6.944 1.735 517 HB3 HIS 66 2HB HIS 66 5.154 -7.047 -0.020 518 HD1 HIS 66 1HD HIS 66 6.024 -9.190 -1.002 519 HD2 HIS 66 2HD HIS 66 6.619 -8.950 3.103 520 HE1 HIS 66 1HE HIS 66 6.831 -11.468 -0.305 521 HE2 HIS 66 2HE HIS 66 7.103 -11.323 2.195 522 H GLU 67 H GLU 67 6.602 -4.990 -1.341 523 HA GLU 67 HA GLU 67 8.043 -6.697 -3.017 524 HB2 GLU 67 1HB GLU 67 6.436 -4.604 -3.462 525 HB3 GLU 67 2HB GLU 67 7.984 -3.800 -3.677 526 HG2 GLU 67 1HG GLU 67 6.826 -6.073 -5.246 527 HG3 GLU 67 2HG GLU 67 7.344 -4.487 -5.816 528 H ALA 68 H ALA 68 9.062 -3.485 -1.840 529 HA ALA 68 HA ALA 68 11.779 -3.904 -2.626 530 HB1 ALA 68 1HB ALA 68 11.940 -1.704 -2.354 531 HB2 ALA 68 2HB ALA 68 10.225 -1.706 -1.941 532 HB3 ALA 68 3HB ALA 68 11.439 -1.808 -0.666 533 H THR 69 H THR 69 10.221 -3.567 0.567 534 HA THR 69 HA THR 69 12.588 -4.712 1.834 535 HB THR 69 HB THR 69 11.572 -4.091 3.954 536 HG1 THR 69 1HG THR 69 9.375 -4.465 3.382 537 HG21 THR 69 1HG2 THR 69 11.000 -1.672 2.331 538 HG22 THR 69 2HG2 THR 69 12.617 -2.365 2.210 539 HG23 THR 69 3HG2 THR 69 11.990 -1.856 3.778 540 H GLY 70 H GLY 70 12.430 -6.481 3.331 541 HA2 GLY 70 1HA GLY 70 10.622 -8.536 2.377 542 HA3 GLY 70 2HA GLY 70 11.934 -8.749 3.526 543 H MET 71 H MET 71 9.473 -6.289 3.893 544 HA MET 71 HA MET 71 8.653 -7.552 6.394 545 HB2 MET 71 1HB MET 71 9.308 -5.073 6.146 546 HB3 MET 71 2HB MET 71 7.730 -4.867 5.398 547 HG2 MET 71 1HG MET 71 6.607 -5.515 7.380 548 HG3 MET 71 2HG MET 71 8.106 -6.065 8.125 549 HE1 MET 71 1HE MET 71 7.052 -5.006 9.979 550 HE2 MET 71 2HE MET 71 8.263 -3.851 10.536 551 HE3 MET 71 3HE MET 71 6.629 -3.303 10.157 552 HA PRO 72 HA PRO 72 4.935 -9.121 4.589 553 HB2 PRO 72 1HB PRO 72 3.627 -9.683 6.901 554 HB3 PRO 72 2HB PRO 72 4.958 -10.670 6.286 555 HG2 PRO 72 1HG PRO 72 4.992 -8.549 8.399 556 HG3 PRO 72 2HG PRO 72 5.790 -10.133 8.390 557 HD2 PRO 72 1HD PRO 72 7.104 -7.835 7.820 558 HD3 PRO 72 2HD PRO 72 7.529 -9.388 7.073 559 H ALA 73 H ALA 73 2.841 -8.460 4.168 560 HA ALA 73 HA ALA 73 2.235 -5.717 4.795 561 HB1 ALA 73 1HB ALA 73 0.076 -7.150 3.517 562 HB2 ALA 73 2HB ALA 73 1.037 -5.796 2.922 563 HB3 ALA 73 3HB ALA 73 1.616 -7.449 2.710 564 H GLY 74 H GLY 74 2.306 -7.023 7.170 565 HA2 GLY 74 1HA GLY 74 -0.445 -6.720 8.069 566 HA3 GLY 74 2HA GLY 74 0.268 -8.306 8.317 567 H LYS 75 H LYS 75 2.375 -8.324 9.512 568 HA LYS 75 HA LYS 75 2.186 -7.436 12.052 569 HB2 LYS 75 1HB LYS 75 4.554 -7.994 10.317 570 HB3 LYS 75 2HB LYS 75 4.822 -7.317 11.918 571 HG2 LYS 75 1HG LYS 75 3.631 -9.194 12.921 572 HG3 LYS 75 2HG LYS 75 3.340 -9.870 11.316 573 HD2 LYS 75 1HD LYS 75 5.709 -10.166 10.964 574 HD3 LYS 75 2HD LYS 75 6.073 -9.352 12.488 575 HE2 LYS 75 1HE LYS 75 6.222 -11.530 13.161 576 HE3 LYS 75 2HE LYS 75 4.511 -11.238 13.467 577 HZ1 LYS 75 1HZ LYS 75 5.038 -13.345 12.262 578 HZ2 LYS 75 2HZ LYS 75 5.526 -12.409 10.940 579 HZ3 LYS 75 3HZ LYS 75 3.923 -12.343 11.477 580 H GLN 76 H GLN 76 3.499 -5.600 9.335 581 HA GLN 76 HA GLN 76 4.372 -3.376 10.855 582 HB2 GLN 76 1HB GLN 76 4.453 -2.196 8.689 583 HB3 GLN 76 2HB GLN 76 5.227 -3.774 8.618 584 HG2 GLN 76 1HG GLN 76 3.488 -4.703 7.369 585 HG3 GLN 76 2HG GLN 76 2.382 -3.390 7.769 586 HE21 GLN 76 1HE2 GLN 76 4.213 -4.651 5.380 587 HE22 GLN 76 2HE2 GLN 76 4.463 -3.239 4.416 588 H LYS 77 H LYS 77 3.448 -1.218 10.831 589 HA LYS 77 HA LYS 77 0.524 -1.173 10.527 590 HB2 LYS 77 1HB LYS 77 1.375 -1.449 12.947 591 HB3 LYS 77 2HB LYS 77 1.901 0.223 12.808 592 HG2 LYS 77 1HG LYS 77 -0.427 0.865 12.266 593 HG3 LYS 77 2HG LYS 77 -0.916 -0.807 12.550 594 HD2 LYS 77 1HD LYS 77 -1.219 0.828 14.479 595 HD3 LYS 77 2HD LYS 77 -0.385 -0.685 14.839 596 HE2 LYS 77 1HE LYS 77 0.681 1.341 15.832 597 HE3 LYS 77 2HE LYS 77 1.744 0.396 14.791 598 HZ1 LYS 77 1HZ LYS 77 2.164 2.415 13.921 599 HZ2 LYS 77 2HZ LYS 77 0.691 3.079 14.420 600 HZ3 LYS 77 3HZ LYS 77 0.756 2.116 13.031 601 H LEU 78 H LEU 78 0.242 0.189 8.873 602 HA LEU 78 HA LEU 78 1.985 2.438 8.430 603 HB2 LEU 78 1HB LEU 78 -0.584 1.649 7.063 604 HB3 LEU 78 2HB LEU 78 0.525 2.905 6.515 605 HG LEU 78 HG LEU 78 1.062 -0.062 6.613 606 HD11 LEU 78 1HD1 LEU 78 1.078 0.041 4.232 607 HD12 LEU 78 2HD1 LEU 78 0.928 1.797 4.248 608 HD13 LEU 78 3HD1 LEU 78 -0.417 0.793 4.789 609 HD21 LEU 78 1HD2 LEU 78 3.220 0.427 5.660 610 HD22 LEU 78 2HD2 LEU 78 3.052 1.290 7.189 611 HD23 LEU 78 3HD2 LEU 78 2.870 2.156 5.662 612 H GLN 79 H GLN 79 1.815 4.141 9.741 613 HA GLN 79 HA GLN 79 -0.844 5.000 10.630 614 HB2 GLN 79 1HB GLN 79 1.260 4.615 12.172 615 HB3 GLN 79 2HB GLN 79 1.683 6.236 11.639 616 HG2 GLN 79 1HG GLN 79 -0.283 7.157 12.580 617 HG3 GLN 79 2HG GLN 79 -0.977 5.561 12.860 618 HE21 GLN 79 1HE2 GLN 79 -1.168 6.751 15.018 619 HE22 GLN 79 2HE2 GLN 79 0.118 6.485 16.140 620 H TYR 80 H TYR 80 -1.784 6.456 9.366 621 HA TYR 80 HA TYR 80 -0.141 8.336 7.846 622 HB2 TYR 80 1HB TYR 80 -1.746 7.336 6.454 623 HB3 TYR 80 2HB TYR 80 -3.013 7.460 7.669 624 HD1 TYR 80 1HD TYR 80 -0.686 10.102 6.462 625 HD2 TYR 80 2HD TYR 80 -4.694 8.680 6.602 626 HE1 TYR 80 1HE TYR 80 -1.459 12.198 5.433 627 HE2 TYR 80 2HE TYR 80 -5.478 10.772 5.572 628 HH TYR 80 HH TYR 80 -4.874 12.925 5.090 629 H GLU 81 H GLU 81 0.390 10.118 8.935 630 HA GLU 81 HA GLU 81 0.269 11.916 10.339 631 HB2 GLU 81 1HB GLU 81 -1.616 13.398 9.931 632 HB3 GLU 81 2HB GLU 81 -1.057 12.697 8.419 633 HG2 GLU 81 1HG GLU 81 -2.902 11.223 8.312 634 HG3 GLU 81 2HG GLU 81 -3.375 11.586 9.970 635 H GLY 82 H GLY 82 -0.632 9.287 11.414 636 HA2 GLY 82 1HA GLY 82 -0.998 9.162 13.847 637 HA3 GLY 82 2HA GLY 82 -2.287 10.336 13.627 638 H ILE 83 H ILE 83 -3.443 9.183 11.299 639 HA ILE 83 HA ILE 83 -5.159 7.283 12.510 640 HB ILE 83 HB ILE 83 -4.832 8.162 9.648 641 HG12 ILE 83 1HG1 ILE 83 -7.320 8.876 10.359 642 HG13 ILE 83 2HG1 ILE 83 -6.566 8.890 11.949 643 HG21 ILE 83 1HG2 ILE 83 -5.598 5.822 9.718 644 HG22 ILE 83 2HG2 ILE 83 -6.943 6.312 10.746 645 HG23 ILE 83 3HG2 ILE 83 -6.831 6.916 9.093 646 HD11 ILE 83 1HD1 ILE 83 -5.000 10.256 9.906 647 HD12 ILE 83 2HD1 ILE 83 -6.591 10.966 10.184 648 HD13 ILE 83 3HD1 ILE 83 -5.462 10.777 11.526 649 H PHE 84 H PHE 84 -5.497 5.082 11.942 650 HA PHE 84 HA PHE 84 -3.019 3.729 11.133 651 HB2 PHE 84 1HB PHE 84 -5.420 2.621 12.604 652 HB3 PHE 84 2HB PHE 84 -3.928 1.751 12.263 653 HD1 PHE 84 2HD PHE 84 -1.822 2.435 13.376 654 HD2 PHE 84 1HD PHE 84 -5.590 4.112 14.431 655 HE1 PHE 84 2HE PHE 84 -0.865 3.248 15.492 656 HE2 PHE 84 1HE PHE 84 -4.638 4.928 16.548 657 HZ PHE 84 HZ PHE 84 -2.273 4.495 17.081 658 H ILE 85 H ILE 85 -4.157 4.678 8.969 659 HA ILE 85 HA ILE 85 -6.223 3.649 7.634 660 HB ILE 85 HB ILE 85 -4.804 3.578 5.552 661 HG12 ILE 85 1HG1 ILE 85 -2.594 4.659 7.284 662 HG13 ILE 85 2HG1 ILE 85 -2.725 2.935 6.951 663 HG21 ILE 85 1HG2 ILE 85 -5.946 5.618 6.527 664 HG22 ILE 85 2HG2 ILE 85 -4.367 6.080 7.159 665 HG23 ILE 85 3HG2 ILE 85 -4.609 5.926 5.419 666 HD11 ILE 85 1HD1 ILE 85 -1.510 3.326 5.141 667 HD12 ILE 85 2HD1 ILE 85 -2.934 4.115 4.462 668 HD13 ILE 85 3HD1 ILE 85 -1.709 5.071 5.295 669 H LYS 86 H LYS 86 -6.943 1.761 6.821 670 HA LYS 86 HA LYS 86 -5.192 -0.593 7.109 671 HB2 LYS 86 1HB LYS 86 -7.210 -1.919 7.559 672 HB3 LYS 86 2HB LYS 86 -7.002 -0.639 8.746 673 HG2 LYS 86 1HG LYS 86 -8.581 0.651 7.031 674 HG3 LYS 86 2HG LYS 86 -9.094 -1.002 6.689 675 HD2 LYS 86 1HD LYS 86 -9.293 -1.241 9.246 676 HD3 LYS 86 2HD LYS 86 -9.242 0.523 9.269 677 HE2 LYS 86 1HE LYS 86 -11.286 0.731 8.276 678 HE3 LYS 86 2HE LYS 86 -11.129 -0.782 7.385 679 HZ1 LYS 86 1HZ LYS 86 -12.556 -0.362 9.704 680 HZ2 LYS 86 2HZ LYS 86 -11.207 -1.264 10.178 681 HZ3 LYS 86 3HZ LYS 86 -12.232 -1.849 8.965 682 H ASP 87 H ASP 87 -5.844 -2.436 5.670 683 HA ASP 87 HA ASP 87 -6.152 -1.434 2.970 684 HB2 ASP 87 1HB ASP 87 -5.886 -4.011 2.511 685 HB3 ASP 87 2HB ASP 87 -4.497 -3.044 2.999 686 H SER 88 H SER 88 -8.090 -2.932 5.378 687 HA SER 88 HA SER 88 -9.986 -4.241 3.767 688 HB2 SER 88 1HB SER 88 -9.992 -4.748 6.089 689 HB3 SER 88 2HB SER 88 -10.148 -3.050 6.536 690 HG SER 88 HG SER 88 -12.106 -4.510 6.545 691 H ASN 89 H ASN 89 -9.614 -0.894 4.714 692 HA ASN 89 HA ASN 89 -12.127 -0.210 3.357 693 HB2 ASN 89 1HB ASN 89 -12.279 1.672 4.675 694 HB3 ASN 89 2HB ASN 89 -11.405 0.603 5.769 695 HD21 ASN 89 1HD2 ASN 89 -8.903 0.679 5.163 696 HD22 ASN 89 2HD2 ASN 89 -8.255 2.281 5.149 697 H SER 90 H SER 90 -12.111 1.776 2.018 698 HA SER 90 HA SER 90 -9.938 1.652 0.131 699 HB2 SER 90 1HB SER 90 -11.269 3.180 -1.212 700 HB3 SER 90 2HB SER 90 -12.310 1.903 -0.582 701 HG SER 90 HG SER 90 -12.818 3.445 1.147 702 H LEU 91 H LEU 91 -9.045 3.770 -0.745 703 HA LEU 91 HA LEU 91 -7.866 5.206 1.471 704 HB2 LEU 91 1HB LEU 91 -7.435 5.254 -1.502 705 HB3 LEU 91 2HB LEU 91 -6.631 6.385 -0.416 706 HG LEU 91 HG LEU 91 -6.352 3.479 0.146 707 HD11 LEU 91 1HD1 LEU 91 -5.645 3.060 -1.935 708 HD12 LEU 91 2HD1 LEU 91 -4.203 3.959 -1.462 709 HD13 LEU 91 3HD1 LEU 91 -5.501 4.772 -2.336 710 HD21 LEU 91 1HD2 LEU 91 -4.259 5.627 0.189 711 HD22 LEU 91 2HD2 LEU 91 -4.316 4.117 1.098 712 HD23 LEU 91 3HD2 LEU 91 -5.413 5.436 1.509 713 H ALA 92 H ALA 92 -9.701 6.088 -1.453 714 HA ALA 92 HA ALA 92 -9.954 8.764 -1.222 715 HB1 ALA 92 1HB ALA 92 -11.992 6.710 -2.009 716 HB2 ALA 92 2HB ALA 92 -12.358 8.435 -2.058 717 HB3 ALA 92 3HB ALA 92 -11.043 7.785 -3.037 718 H TYR 93 H TYR 93 -11.878 6.390 0.590 719 HA TYR 93 HA TYR 93 -13.666 7.934 1.910 720 HB2 TYR 93 1HB TYR 93 -13.564 5.549 2.282 721 HB3 TYR 93 2HB TYR 93 -11.993 5.694 3.062 722 HD1 TYR 93 1HD TYR 93 -11.817 6.709 5.312 723 HD2 TYR 93 2HD TYR 93 -15.588 5.980 3.481 724 HE1 TYR 93 1HE TYR 93 -12.919 6.950 7.498 725 HE2 TYR 93 2HE TYR 93 -16.700 6.221 5.661 726 HH TYR 93 HH TYR 93 -15.941 5.914 8.157 727 H TYR 94 H TYR 94 -10.241 7.580 2.736 728 HA TYR 94 HA TYR 94 -10.381 9.272 5.031 729 HB2 TYR 94 1HB TYR 94 -8.079 8.206 3.399 730 HB3 TYR 94 2HB TYR 94 -7.845 9.257 4.791 731 HD1 TYR 94 2HD TYR 94 -9.558 8.350 6.833 732 HD2 TYR 94 1HD TYR 94 -7.558 6.020 3.888 733 HE1 TYR 94 2HE TYR 94 -9.647 6.397 8.326 734 HE2 TYR 94 1HE TYR 94 -7.642 4.060 5.373 735 HH TYR 94 HH TYR 94 -9.260 3.343 7.382 736 H ASN 95 H ASN 95 -9.588 9.735 1.637 737 HA ASN 95 HA ASN 95 -9.531 11.633 0.368 738 HB2 ASN 95 1HB ASN 95 -10.004 13.444 2.686 739 HB3 ASN 95 2HB ASN 95 -10.665 13.510 1.055 740 HD21 ASN 95 1HD2 ASN 95 -12.286 11.884 0.501 741 HD22 ASN 95 2HD2 ASN 95 -13.371 11.344 1.733 742 H MET 96 H MET 96 -7.182 10.600 1.196 743 HA MET 96 HA MET 96 -5.456 12.259 2.629 744 HB2 MET 96 1HB MET 96 -4.827 10.381 0.345 745 HB3 MET 96 2HB MET 96 -3.633 11.078 1.433 746 HG2 MET 96 1HG MET 96 -4.834 9.968 3.323 747 HG3 MET 96 2HG MET 96 -5.825 9.143 2.123 748 HE1 MET 96 1HE MET 96 -3.282 7.056 4.143 749 HE2 MET 96 2HE MET 96 -4.960 7.561 3.944 750 HE3 MET 96 3HE MET 96 -4.326 6.214 2.997 751 H ALA 97 H ALA 97 -3.421 13.237 1.486 752 HA ALA 97 HA ALA 97 -4.251 14.793 -0.865 753 HB1 ALA 97 1HB ALA 97 -4.469 16.011 1.408 754 HB2 ALA 97 2HB ALA 97 -2.709 16.110 1.335 755 HB3 ALA 97 3HB ALA 97 -3.687 16.840 0.061 756 H SER 98 H SER 98 -2.603 15.397 -2.266 757 HA SER 98 HA SER 98 -0.529 13.709 -2.732 758 HB2 SER 98 1HB SER 98 -0.585 16.683 -3.295 759 HB3 SER 98 2HB SER 98 0.535 15.540 -4.035 760 HG SER 98 HG SER 98 -0.973 15.132 -5.423 761 H GLY 99 H GLY 99 1.870 14.203 -2.651 762 HA2 GLY 99 1HA GLY 99 3.740 14.318 -1.317 763 HA3 GLY 99 2HA GLY 99 3.103 15.891 -0.860 764 H ALA 100 H ALA 100 1.587 12.779 -0.200 765 HA ALA 100 HA ALA 100 1.335 13.426 2.582 766 HB1 ALA 100 1HB ALA 100 -0.303 11.922 2.545 767 HB2 ALA 100 2HB ALA 100 -0.007 11.766 0.813 768 HB3 ALA 100 3HB ALA 100 0.773 10.660 1.944 769 H VAL 101 H VAL 101 1.863 11.586 4.207 770 HA VAL 101 HA VAL 101 4.416 10.290 3.625 771 HB VAL 101 HB VAL 101 5.095 12.421 4.566 772 HG11 VAL 101 1HG1 VAL 101 2.773 12.122 6.142 773 HG12 VAL 101 2HG1 VAL 101 4.148 12.177 7.248 774 HG13 VAL 101 3HG1 VAL 101 3.890 13.486 6.095 775 HG21 VAL 101 1HG2 VAL 101 6.238 11.552 6.663 776 HG22 VAL 101 2HG2 VAL 101 5.389 10.034 6.372 777 HG23 VAL 101 3HG2 VAL 101 6.528 10.651 5.175 778 H ILE 102 H ILE 102 3.900 8.230 4.012 779 HA ILE 102 HA ILE 102 2.130 7.551 6.227 780 HB ILE 102 HB ILE 102 3.358 5.783 4.108 781 HG12 ILE 102 1HG1 ILE 102 1.767 7.307 3.121 782 HG13 ILE 102 2HG1 ILE 102 1.021 5.716 3.227 783 HG21 ILE 102 1HG2 ILE 102 2.593 4.892 6.487 784 HG22 ILE 102 2HG2 ILE 102 1.009 4.949 5.716 785 HG23 ILE 102 3HG2 ILE 102 2.300 3.978 5.007 786 HD11 ILE 102 1HD1 ILE 102 -0.708 6.815 4.102 787 HD12 ILE 102 2HD1 ILE 102 0.255 6.857 5.579 788 HD13 ILE 102 3HD1 ILE 102 0.264 8.237 4.481 789 H HIS 103 H HIS 103 3.165 7.562 8.137 790 HA HIS 103 HA HIS 103 5.896 6.776 8.445 791 HB2 HIS 103 1HB HIS 103 3.753 7.225 10.534 792 HB3 HIS 103 2HB HIS 103 5.477 7.063 10.857 793 HD1 HIS 103 1HD HIS 103 7.015 9.026 9.901 794 HD2 HIS 103 2HD HIS 103 2.924 9.750 9.875 795 HE1 HIS 103 1HE HIS 103 6.775 11.511 9.598 796 HE2 HIS 103 2HE HIS 103 4.293 11.936 9.671 797 H LEU 104 H LEU 104 6.714 4.816 8.801 798 HA LEU 104 HA LEU 104 4.877 2.569 9.079 799 HB2 LEU 104 1HB LEU 104 6.683 2.566 7.368 800 HB3 LEU 104 2HB LEU 104 7.864 2.551 8.677 801 HG LEU 104 HG LEU 104 6.892 0.363 9.413 802 HD11 LEU 104 1HD1 LEU 104 5.074 0.988 7.215 803 HD12 LEU 104 2HD1 LEU 104 4.871 -0.106 8.583 804 HD13 LEU 104 3HD1 LEU 104 5.744 -0.642 7.147 805 HD21 LEU 104 1HD2 LEU 104 7.694 -0.326 6.726 806 HD22 LEU 104 2HD2 LEU 104 8.535 -0.587 8.254 807 HD23 LEU 104 3HD2 LEU 104 8.718 0.944 7.396 808 H ALA 105 H ALA 105 4.806 1.207 10.806 809 HA ALA 105 HA ALA 105 6.767 1.387 12.927 810 HB1 ALA 105 1HB ALA 105 3.952 2.368 13.276 811 HB2 ALA 105 2HB ALA 105 4.912 1.787 14.637 812 HB3 ALA 105 3HB ALA 105 5.464 3.173 13.697 813 H LEU 106 H LEU 106 6.742 -0.384 14.316 814 HA LEU 106 HA LEU 106 5.469 -2.734 13.258 815 HB2 LEU 106 1HB LEU 106 7.475 -2.128 15.349 816 HB3 LEU 106 2HB LEU 106 6.558 -3.622 15.532 817 HG LEU 106 HG LEU 106 8.194 -2.900 13.102 818 HD11 LEU 106 1HD1 LEU 106 9.235 -3.492 15.522 819 HD12 LEU 106 2HD1 LEU 106 9.995 -3.911 13.987 820 HD13 LEU 106 3HD1 LEU 106 9.031 -5.110 14.850 821 HD21 LEU 106 1HD2 LEU 106 6.124 -4.626 13.219 822 HD22 LEU 106 2HD2 LEU 106 7.448 -5.684 13.706 823 HD23 LEU 106 3HD2 LEU 106 7.521 -4.834 12.162 824 H LYS 107 H LYS 107 3.588 -3.576 13.857 825 HA LYS 107 HA LYS 107 1.987 -2.317 15.862 826 HB2 LYS 107 1HB LYS 107 1.154 -3.394 13.716 827 HB3 LYS 107 2HB LYS 107 1.417 -4.947 14.498 828 HG2 LYS 107 1HG LYS 107 -0.224 -2.930 15.928 829 HG3 LYS 107 2HG LYS 107 -0.931 -3.746 14.531 830 HD2 LYS 107 1HD LYS 107 -0.846 -5.826 15.541 831 HD3 LYS 107 2HD LYS 107 0.435 -5.346 16.656 832 HE2 LYS 107 1HE LYS 107 -1.339 -5.350 18.092 833 HE3 LYS 107 2HE LYS 107 -1.429 -3.685 17.519 834 HZ1 LYS 107 1HZ LYS 107 -3.104 -4.361 15.919 835 HZ2 LYS 107 2HZ LYS 107 -3.595 -4.756 17.488 836 HZ3 LYS 107 3HZ LYS 107 -3.012 -5.963 16.455 837 H GLU 108 H GLU 108 1.211 -3.197 17.800 838 HA GLU 108 HA GLU 108 2.542 -5.619 18.779 839 HB2 GLU 108 1HB GLU 108 2.409 -3.009 20.300 840 HB3 GLU 108 2HB GLU 108 3.028 -4.529 20.930 841 HG2 GLU 108 1HG GLU 108 4.737 -4.479 19.095 842 HG3 GLU 108 2HG GLU 108 4.192 -2.842 18.733 843 H ARG 109 H ARG 109 1.142 -6.979 19.671 844 HA ARG 109 HA ARG 109 -1.587 -6.141 20.121 845 HB2 ARG 109 1HB ARG 109 -0.134 -8.732 19.976 846 HB3 ARG 109 2HB ARG 109 -1.621 -8.694 20.914 847 HG2 ARG 109 1HG ARG 109 -2.864 -7.936 18.990 848 HG3 ARG 109 2HG ARG 109 -1.381 -7.829 18.040 849 HD2 ARG 109 1HD ARG 109 -2.111 -9.877 17.356 850 HD3 ARG 109 2HD ARG 109 -1.169 -10.365 18.765 851 HE ARG 109 HE ARG 109 -3.963 -9.827 19.280 852 HH11 ARG 109 2HH1 ARG 109 -1.560 -12.210 18.465 853 HH12 ARG 109 1HH1 ARG 109 -2.510 -13.548 19.019 854 HH21 ARG 109 2HH2 ARG 109 -5.224 -11.580 20.013 855 HH22 ARG 109 1HH2 ARG 109 -4.595 -13.189 19.899 856 H SER 110 H SER 110 0.804 -7.890 22.115 857 HA SER 110 HA SER 110 -0.572 -6.898 24.510 858 HB2 SER 110 1HB SER 110 -0.069 -9.405 24.096 859 HB3 SER 110 2HB SER 110 1.592 -8.989 24.517 860 HG SER 110 HG SER 110 -0.021 -7.911 26.332 861 H GLY 111 H GLY 111 2.695 -7.283 23.155 862 HA2 GLY 111 1HA GLY 111 3.831 -4.929 23.512 863 HA3 GLY 111 2HA GLY 111 3.756 -5.464 25.184 864 HA PRO 112 HA PRO 112 7.444 -7.794 24.791 865 HB2 PRO 112 1HB PRO 112 6.867 -10.202 25.903 866 HB3 PRO 112 2HB PRO 112 7.035 -8.722 26.853 867 HG2 PRO 112 1HG PRO 112 4.549 -10.084 25.892 868 HG3 PRO 112 2HG PRO 112 4.888 -9.362 27.476 869 HD2 PRO 112 1HD PRO 112 3.433 -8.093 25.577 870 HD3 PRO 112 2HD PRO 112 4.464 -7.222 26.731 871 H SER 113 H SER 113 7.672 -8.003 22.550 872 HA SER 113 HA SER 113 6.315 -9.810 20.911 873 HB2 SER 113 1HB SER 113 8.202 -9.511 19.335 874 HB3 SER 113 2HB SER 113 7.643 -7.976 19.997 875 HG SER 113 HG SER 113 10.031 -8.515 19.948 876 H SER 114 H SER 114 9.490 -10.156 22.484 877 HA SER 114 HA SER 114 10.809 -11.984 22.852 878 HB2 SER 114 1HB SER 114 8.037 -12.961 23.497 879 HB3 SER 114 2HB SER 114 9.436 -14.018 23.680 880 HG SER 114 HG SER 114 10.321 -12.184 24.967 881 H GLY 115 H GLY 115 10.358 -11.575 20.146 882 HA2 GLY 115 1HA GLY 115 10.817 -12.689 18.180 883 HA3 GLY 115 2HA GLY 115 10.958 -14.172 19.113 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.993 35.175 13.539 2 HA2 GLY 1 1HA GLY 1 -12.675 34.923 15.897 3 HA3 GLY 1 2HA GLY 1 -13.760 33.652 15.353 4 H SER 2 H SER 2 -12.160 32.984 17.355 5 HA SER 2 HA SER 2 -10.155 31.252 16.077 6 HB2 SER 2 1HB SER 2 -8.968 33.088 17.180 7 HB3 SER 2 2HB SER 2 -9.814 32.746 18.689 8 HG SER 2 HG SER 2 -7.682 31.442 17.516 9 H SER 3 H SER 3 -11.039 29.289 16.238 10 HA SER 3 HA SER 3 -11.579 28.220 18.878 11 HB2 SER 3 1HB SER 3 -13.709 28.708 16.847 12 HB3 SER 3 2HB SER 3 -13.792 27.220 17.790 13 HG SER 3 HG SER 3 -14.659 28.440 19.259 14 H GLY 4 H GLY 4 -11.522 25.947 18.966 15 HA2 GLY 4 1HA GLY 4 -9.983 24.753 16.827 16 HA3 GLY 4 2HA GLY 4 -10.393 24.006 18.364 17 H SER 5 H SER 5 -10.546 23.011 15.558 18 HA SER 5 HA SER 5 -13.328 22.790 14.915 19 HB2 SER 5 1HB SER 5 -11.638 22.671 13.154 20 HB3 SER 5 2HB SER 5 -10.939 21.232 13.896 21 HG SER 5 HG SER 5 -12.327 20.148 12.770 22 H SER 6 H SER 6 -14.751 21.497 15.851 23 HA SER 6 HA SER 6 -13.862 19.399 17.641 24 HB2 SER 6 1HB SER 6 -16.147 19.273 18.370 25 HB3 SER 6 2HB SER 6 -15.747 20.981 18.193 26 HG SER 6 HG SER 6 -16.916 21.066 16.331 27 H GLY 7 H GLY 7 -13.975 17.250 17.295 28 HA2 GLY 7 1HA GLY 7 -14.013 15.317 16.040 29 HA3 GLY 7 2HA GLY 7 -15.668 15.807 15.709 30 H THR 8 H THR 8 -12.348 16.537 14.641 31 HA THR 8 HA THR 8 -13.153 17.500 12.094 32 HB THR 8 HB THR 8 -10.434 16.445 12.891 33 HG1 THR 8 1HG THR 8 -10.004 18.636 13.404 34 HG21 THR 8 1HG2 THR 8 -11.485 17.485 10.435 35 HG22 THR 8 2HG2 THR 8 -9.859 16.900 10.788 36 HG23 THR 8 3HG2 THR 8 -10.270 18.591 11.074 37 H GLU 9 H GLU 9 -11.379 14.522 12.954 38 HA GLU 9 HA GLU 9 -11.341 13.250 10.555 39 HB2 GLU 9 1HB GLU 9 -11.787 12.108 13.308 40 HB3 GLU 9 2HB GLU 9 -11.574 11.088 11.892 41 HG2 GLU 9 1HG GLU 9 -9.446 11.181 12.758 42 HG3 GLU 9 2HG GLU 9 -9.406 12.448 11.533 43 H ASP 10 H ASP 10 -14.086 13.550 12.729 44 HA ASP 10 HA ASP 10 -15.816 11.715 11.528 45 HB2 ASP 10 1HB ASP 10 -16.437 12.615 13.639 46 HB3 ASP 10 2HB ASP 10 -16.334 14.270 13.044 47 H SER 11 H SER 11 -15.382 15.184 10.885 48 HA SER 11 HA SER 11 -17.129 14.982 8.555 49 HB2 SER 11 1HB SER 11 -15.856 17.318 9.981 50 HB3 SER 11 2HB SER 11 -16.696 17.496 8.441 51 HG SER 11 HG SER 11 -17.712 16.902 10.973 52 H LEU 12 H LEU 12 -15.033 13.462 8.039 53 HA LEU 12 HA LEU 12 -12.902 14.944 6.772 54 HB2 LEU 12 1HB LEU 12 -13.518 12.094 7.302 55 HB3 LEU 12 2HB LEU 12 -12.468 12.450 5.932 56 HG LEU 12 HG LEU 12 -11.866 13.553 8.654 57 HD11 LEU 12 1HD1 LEU 12 -10.500 11.075 7.840 58 HD12 LEU 12 2HD1 LEU 12 -12.175 10.896 8.359 59 HD13 LEU 12 3HD1 LEU 12 -10.991 11.632 9.439 60 HD21 LEU 12 1HD2 LEU 12 -10.747 14.063 6.269 61 HD22 LEU 12 2HD2 LEU 12 -9.790 12.663 6.753 62 HD23 LEU 12 3HD2 LEU 12 -9.850 14.091 7.788 63 H MET 13 H MET 13 -12.309 14.551 4.497 64 HA MET 13 HA MET 13 -14.394 15.210 2.751 65 HB2 MET 13 1HB MET 13 -11.707 15.315 2.585 66 HB3 MET 13 2HB MET 13 -12.005 13.894 1.594 67 HG2 MET 13 1HG MET 13 -13.095 15.076 -0.028 68 HG3 MET 13 2HG MET 13 -13.617 16.336 1.087 69 HE1 MET 13 1HE MET 13 -12.676 18.350 1.480 70 HE2 MET 13 2HE MET 13 -11.269 19.069 0.698 71 HE3 MET 13 3HE MET 13 -12.697 18.664 -0.255 72 HA PRO 14 HA PRO 14 -16.260 11.331 1.824 73 HB2 PRO 14 1HB PRO 14 -17.349 11.945 -0.586 74 HB3 PRO 14 2HB PRO 14 -17.998 12.548 0.944 75 HG2 PRO 14 1HG PRO 14 -16.211 13.920 -1.028 76 HG3 PRO 14 2HG PRO 14 -17.616 14.561 -0.157 77 HD2 PRO 14 1HD PRO 14 -15.070 15.062 0.617 78 HD3 PRO 14 2HD PRO 14 -16.410 14.929 1.773 79 H GLU 15 H GLU 15 -16.632 10.194 -0.629 80 HA GLU 15 HA GLU 15 -13.873 9.637 -1.495 81 HB2 GLU 15 1HB GLU 15 -15.347 7.811 -0.396 82 HB3 GLU 15 2HB GLU 15 -16.192 7.779 -1.937 83 HG2 GLU 15 1HG GLU 15 -14.164 7.177 -3.088 84 HG3 GLU 15 2HG GLU 15 -13.237 7.329 -1.596 85 H GLU 16 H GLU 16 -17.193 10.096 -2.617 86 HA GLU 16 HA GLU 16 -16.616 9.841 -5.380 87 HB2 GLU 16 1HB GLU 16 -18.876 9.559 -4.722 88 HB3 GLU 16 2HB GLU 16 -18.896 11.092 -3.862 89 HG2 GLU 16 1HG GLU 16 -20.078 11.596 -5.763 90 HG3 GLU 16 2HG GLU 16 -18.452 12.121 -6.198 91 H GLU 17 H GLU 17 -17.435 12.775 -3.518 92 HA GLU 17 HA GLU 17 -16.699 14.597 -5.508 93 HB2 GLU 17 1HB GLU 17 -17.175 14.743 -2.577 94 HB3 GLU 17 2HB GLU 17 -16.321 16.088 -3.321 95 HG2 GLU 17 1HG GLU 17 -18.162 16.449 -4.851 96 HG3 GLU 17 2HG GLU 17 -19.012 15.055 -4.188 97 H PHE 18 H PHE 18 -14.828 13.154 -2.887 98 HA PHE 18 HA PHE 18 -12.544 14.654 -2.901 99 HB2 PHE 18 1HB PHE 18 -12.890 12.766 -1.383 100 HB3 PHE 18 2HB PHE 18 -12.724 11.639 -2.725 101 HD1 PHE 18 2HD PHE 18 -10.813 14.489 -1.250 102 HD2 PHE 18 1HD PHE 18 -10.715 10.562 -2.890 103 HE1 PHE 18 2HE PHE 18 -8.386 14.391 -0.860 104 HE2 PHE 18 1HE PHE 18 -8.287 10.457 -2.501 105 HZ PHE 18 HZ PHE 18 -7.119 12.373 -1.487 106 H LEU 19 H LEU 19 -13.094 11.788 -4.954 107 HA LEU 19 HA LEU 19 -10.775 11.914 -6.452 108 HB2 LEU 19 1HB LEU 19 -13.519 11.061 -7.365 109 HB3 LEU 19 2HB LEU 19 -12.006 10.684 -8.188 110 HG LEU 19 HG LEU 19 -12.761 9.738 -5.424 111 HD11 LEU 19 1HD1 LEU 19 -13.921 8.126 -6.403 112 HD12 LEU 19 2HD1 LEU 19 -12.468 7.614 -7.260 113 HD13 LEU 19 3HD1 LEU 19 -13.553 8.795 -7.993 114 HD21 LEU 19 1HD2 LEU 19 -10.805 8.373 -5.531 115 HD22 LEU 19 2HD2 LEU 19 -10.322 10.032 -5.886 116 HD23 LEU 19 3HD2 LEU 19 -10.487 8.862 -7.196 117 H ARG 20 H ARG 20 -13.790 13.684 -6.863 118 HA ARG 20 HA ARG 20 -13.310 14.774 -9.394 119 HB2 ARG 20 1HB ARG 20 -14.775 16.130 -7.127 120 HB3 ARG 20 2HB ARG 20 -14.987 16.416 -8.849 121 HG2 ARG 20 1HG ARG 20 -15.594 13.808 -7.475 122 HG3 ARG 20 2HG ARG 20 -16.787 15.061 -7.821 123 HD2 ARG 20 1HD ARG 20 -15.086 14.071 -10.051 124 HD3 ARG 20 2HD ARG 20 -16.383 13.031 -9.466 125 HE ARG 20 HE ARG 20 -17.180 15.744 -10.046 126 HH11 ARG 20 2HH1 ARG 20 -16.790 12.511 -11.278 127 HH12 ARG 20 1HH1 ARG 20 -17.932 12.723 -12.564 128 HH21 ARG 20 2HH2 ARG 20 -18.684 16.036 -11.736 129 HH22 ARG 20 1HH2 ARG 20 -19.008 14.729 -12.824 130 H ARG 21 H ARG 21 -12.234 15.768 -6.200 131 HA ARG 21 HA ARG 21 -10.893 18.109 -7.337 132 HB2 ARG 21 1HB ARG 21 -11.799 18.910 -5.415 133 HB3 ARG 21 2HB ARG 21 -11.830 17.328 -4.647 134 HG2 ARG 21 1HG ARG 21 -9.617 17.501 -3.927 135 HG3 ARG 21 2HG ARG 21 -9.261 18.813 -5.052 136 HD2 ARG 21 1HD ARG 21 -10.977 20.175 -3.760 137 HD3 ARG 21 2HD ARG 21 -10.907 18.904 -2.539 138 HE ARG 21 HE ARG 21 -8.345 20.006 -3.278 139 HH11 ARG 21 2HH1 ARG 21 -11.090 20.235 -1.150 140 HH12 ARG 21 1HH1 ARG 21 -10.224 21.079 0.090 141 HH21 ARG 21 2HH2 ARG 21 -7.193 21.116 -1.653 142 HH22 ARG 21 1HH2 ARG 21 -8.007 21.580 -0.197 143 H ASN 22 H ASN 22 -10.035 15.600 -4.945 144 HA ASN 22 HA ASN 22 -7.235 15.915 -5.463 145 HB2 ASN 22 1HB ASN 22 -8.734 13.826 -3.867 146 HB3 ASN 22 2HB ASN 22 -6.982 14.004 -3.893 147 HD21 ASN 22 1HD2 ASN 22 -9.994 15.412 -2.865 148 HD22 ASN 22 2HD2 ASN 22 -9.317 16.519 -1.724 149 H LYS 23 H LYS 23 -8.317 15.405 -7.874 150 HA LYS 23 HA LYS 23 -8.695 12.886 -8.820 151 HB2 LYS 23 1HB LYS 23 -6.991 15.002 -10.148 152 HB3 LYS 23 2HB LYS 23 -7.752 13.636 -10.955 153 HG2 LYS 23 1HG LYS 23 -9.948 14.641 -9.974 154 HG3 LYS 23 2HG LYS 23 -8.987 16.117 -9.858 155 HD2 LYS 23 1HD LYS 23 -8.407 15.798 -12.289 156 HD3 LYS 23 2HD LYS 23 -9.617 14.513 -12.330 157 HE2 LYS 23 1HE LYS 23 -10.246 17.301 -11.395 158 HE3 LYS 23 2HE LYS 23 -10.362 16.823 -13.088 159 HZ1 LYS 23 1HZ LYS 23 -12.457 16.328 -12.480 160 HZ2 LYS 23 2HZ LYS 23 -12.074 16.131 -10.845 161 HZ3 LYS 23 3HZ LYS 23 -11.762 14.882 -11.942 162 H GLY 24 H GLY 24 -5.488 14.446 -8.598 163 HA2 GLY 24 1HA GLY 24 -3.626 13.252 -7.613 164 HA3 GLY 24 2HA GLY 24 -4.335 11.759 -8.211 165 HA PRO 25 HA PRO 25 -2.851 10.447 -8.509 166 HB2 PRO 25 1HB PRO 25 -0.204 9.859 -8.638 167 HB3 PRO 25 2HB PRO 25 -1.369 9.318 -9.853 168 HG2 PRO 25 1HG PRO 25 0.521 11.638 -9.940 169 HG3 PRO 25 2HG PRO 25 0.132 10.464 -11.211 170 HD2 PRO 25 1HD PRO 25 -0.947 12.946 -11.141 171 HD3 PRO 25 2HD PRO 25 -1.824 11.542 -11.783 172 H VAL 26 H VAL 26 -1.009 9.902 -6.712 173 HA VAL 26 HA VAL 26 -0.085 12.357 -5.436 174 HB VAL 26 HB VAL 26 -1.066 11.593 -3.238 175 HG11 VAL 26 1HG1 VAL 26 -3.120 12.310 -5.321 176 HG12 VAL 26 2HG1 VAL 26 -3.150 12.696 -3.599 177 HG13 VAL 26 3HG1 VAL 26 -1.958 13.456 -4.654 178 HG21 VAL 26 1HG2 VAL 26 -3.127 10.097 -4.777 179 HG22 VAL 26 2HG2 VAL 26 -1.613 9.281 -4.386 180 HG23 VAL 26 3HG2 VAL 26 -2.627 9.924 -3.094 181 H SER 27 H SER 27 1.774 12.092 -4.330 182 HA SER 27 HA SER 27 2.852 9.365 -4.178 183 HB2 SER 27 1HB SER 27 4.007 11.436 -5.370 184 HB3 SER 27 2HB SER 27 4.569 11.768 -3.732 185 HG SER 27 HG SER 27 6.056 10.447 -4.772 186 H ILE 28 H ILE 28 3.168 8.412 -2.275 187 HA ILE 28 HA ILE 28 2.956 10.066 0.154 188 HB ILE 28 HB ILE 28 2.284 7.941 1.301 189 HG12 ILE 28 1HG1 ILE 28 1.642 6.814 -1.398 190 HG13 ILE 28 2HG1 ILE 28 3.257 6.588 -0.735 191 HG21 ILE 28 1HG2 ILE 28 0.417 9.177 1.004 192 HG22 ILE 28 2HG2 ILE 28 0.708 9.400 -0.720 193 HG23 ILE 28 3HG2 ILE 28 0.011 7.890 -0.131 194 HD11 ILE 28 1HD1 ILE 28 1.949 5.742 1.361 195 HD12 ILE 28 2HD1 ILE 28 0.655 5.489 0.189 196 HD13 ILE 28 3HD1 ILE 28 2.210 4.686 -0.027 197 H LYS 29 H LYS 29 4.513 9.959 1.686 198 HA LYS 29 HA LYS 29 6.931 8.466 1.003 199 HB2 LYS 29 1HB LYS 29 6.324 10.920 2.527 200 HB3 LYS 29 2HB LYS 29 7.611 9.923 3.194 201 HG2 LYS 29 1HG LYS 29 8.744 9.987 0.997 202 HG3 LYS 29 2HG LYS 29 7.489 11.087 0.420 203 HD2 LYS 29 1HD LYS 29 8.176 12.437 2.587 204 HD3 LYS 29 2HD LYS 29 9.692 11.560 2.366 205 HE2 LYS 29 1HE LYS 29 8.379 13.074 0.128 206 HE3 LYS 29 2HE LYS 29 9.484 13.852 1.260 207 HZ1 LYS 29 1HZ LYS 29 10.428 11.384 0.053 208 HZ2 LYS 29 2HZ LYS 29 11.259 12.823 0.369 209 HZ3 LYS 29 3HZ LYS 29 10.272 12.700 -0.999 210 H VAL 30 H VAL 30 7.239 6.539 1.886 211 HA VAL 30 HA VAL 30 5.808 5.783 4.302 212 HB VAL 30 HB VAL 30 7.627 4.154 2.520 213 HG11 VAL 30 1HG1 VAL 30 6.622 3.643 5.143 214 HG12 VAL 30 2HG1 VAL 30 5.863 2.528 4.006 215 HG13 VAL 30 3HG1 VAL 30 7.621 2.613 4.117 216 HG21 VAL 30 1HG2 VAL 30 5.252 3.074 2.100 217 HG22 VAL 30 2HG2 VAL 30 4.701 4.692 2.536 218 HG23 VAL 30 3HG2 VAL 30 5.804 4.472 1.177 219 H GLN 31 H GLN 31 6.704 6.425 6.158 220 HA GLN 31 HA GLN 31 9.514 6.824 6.482 221 HB2 GLN 31 1HB GLN 31 7.625 8.046 7.696 222 HB3 GLN 31 2HB GLN 31 7.498 6.615 8.710 223 HG2 GLN 31 1HG GLN 31 9.837 8.479 8.441 224 HG3 GLN 31 2HG GLN 31 8.838 8.187 9.864 225 HE21 GLN 31 1HE2 GLN 31 11.515 7.146 7.997 226 HE22 GLN 31 2HE2 GLN 31 12.003 5.837 9.013 227 H VAL 32 H VAL 32 10.658 4.958 6.201 228 HA VAL 32 HA VAL 32 9.886 2.507 7.515 229 HB VAL 32 HB VAL 32 12.473 3.117 6.081 230 HG11 VAL 32 1HG1 VAL 32 11.575 0.409 5.882 231 HG12 VAL 32 2HG1 VAL 32 13.070 1.037 6.580 232 HG13 VAL 32 3HG1 VAL 32 11.624 0.887 7.579 233 HG21 VAL 32 1HG2 VAL 32 9.761 2.596 5.078 234 HG22 VAL 32 2HG2 VAL 32 11.135 3.369 4.288 235 HG23 VAL 32 3HG2 VAL 32 11.028 1.610 4.349 236 HA PRO 33 HA PRO 33 12.013 3.777 11.260 237 HB2 PRO 33 1HB PRO 33 11.171 1.658 12.734 238 HB3 PRO 33 2HB PRO 33 10.152 3.064 12.403 239 HG2 PRO 33 1HG PRO 33 10.187 0.391 11.056 240 HG3 PRO 33 2HG PRO 33 8.798 1.374 11.556 241 HD2 PRO 33 1HD PRO 33 9.675 1.286 8.995 242 HD3 PRO 33 2HD PRO 33 8.937 2.738 9.703 243 H ASN 34 H ASN 34 13.825 3.044 12.396 244 HA ASN 34 HA ASN 34 15.398 1.051 10.989 245 HB2 ASN 34 1HB ASN 34 16.456 3.171 11.607 246 HB3 ASN 34 2HB ASN 34 16.113 2.861 13.307 247 HD21 ASN 34 1HD2 ASN 34 18.636 3.210 11.723 248 HD22 ASN 34 2HD2 ASN 34 19.605 1.843 12.148 249 H MET 35 H MET 35 15.244 -1.016 11.536 250 HA MET 35 HA MET 35 14.401 -1.753 14.228 251 HB2 MET 35 1HB MET 35 14.471 -3.104 11.582 252 HB3 MET 35 2HB MET 35 14.635 -4.123 13.005 253 HG2 MET 35 1HG MET 35 12.391 -2.162 12.628 254 HG3 MET 35 2HG MET 35 12.307 -3.848 12.125 255 HE1 MET 35 1HE MET 35 10.526 -2.252 15.375 256 HE2 MET 35 2HE MET 35 12.118 -1.745 15.940 257 HE3 MET 35 3HE MET 35 11.597 -1.352 14.301 258 H GLN 36 H GLN 36 16.118 -1.572 15.583 259 HA GLN 36 HA GLN 36 18.779 -2.247 14.910 260 HB2 GLN 36 1HB GLN 36 19.323 -1.609 17.044 261 HB3 GLN 36 2HB GLN 36 17.765 -0.810 16.884 262 HG2 GLN 36 1HG GLN 36 16.677 -2.549 18.120 263 HG3 GLN 36 2HG GLN 36 18.154 -3.511 18.148 264 HE21 GLN 36 1HE2 GLN 36 17.229 -0.168 18.916 265 HE22 GLN 36 2HE2 GLN 36 18.014 -0.125 20.454 266 H ASP 37 H ASP 37 16.164 -4.217 15.298 267 HA ASP 37 HA ASP 37 17.400 -6.385 16.720 268 HB2 ASP 37 1HB ASP 37 14.816 -5.991 15.263 269 HB3 ASP 37 2HB ASP 37 15.348 -7.628 15.638 270 H LYS 38 H LYS 38 17.376 -5.267 13.480 271 HA LYS 38 HA LYS 38 18.360 -6.021 11.573 272 HB2 LYS 38 1HB LYS 38 19.723 -8.022 13.385 273 HB3 LYS 38 2HB LYS 38 20.230 -7.570 11.762 274 HG2 LYS 38 1HG LYS 38 20.006 -5.472 13.870 275 HG3 LYS 38 2HG LYS 38 21.409 -6.543 13.839 276 HD2 LYS 38 1HD LYS 38 22.192 -4.874 12.496 277 HD3 LYS 38 2HD LYS 38 21.395 -5.867 11.273 278 HE2 LYS 38 1HE LYS 38 19.524 -4.442 11.189 279 HE3 LYS 38 2HE LYS 38 19.971 -3.632 12.689 280 HZ1 LYS 38 1HZ LYS 38 21.104 -2.147 11.530 281 HZ2 LYS 38 2HZ LYS 38 20.619 -2.886 10.088 282 HZ3 LYS 38 3HZ LYS 38 22.064 -3.354 10.833 283 H THR 39 H THR 39 15.828 -6.926 11.984 284 HA THR 39 HA THR 39 15.589 -9.759 11.784 285 HB THR 39 HB THR 39 13.728 -8.413 12.612 286 HG1 THR 39 1HG THR 39 12.411 -9.261 10.420 287 HG21 THR 39 1HG2 THR 39 14.228 -6.493 10.991 288 HG22 THR 39 2HG2 THR 39 12.533 -6.860 11.313 289 HG23 THR 39 3HG2 THR 39 13.284 -7.406 9.814 290 H GLU 40 H GLU 40 14.000 -10.395 9.754 291 HA GLU 40 HA GLU 40 15.775 -10.231 7.476 292 HB2 GLU 40 1HB GLU 40 14.267 -11.874 6.453 293 HB3 GLU 40 2HB GLU 40 14.775 -12.379 8.058 294 HG2 GLU 40 1HG GLU 40 12.542 -11.218 8.788 295 HG3 GLU 40 2HG GLU 40 12.101 -11.497 7.104 296 H TRP 41 H TRP 41 14.415 -7.800 8.279 297 HA TRP 41 HA TRP 41 12.861 -7.308 5.825 298 HB2 TRP 41 1HB TRP 41 12.432 -5.978 8.508 299 HB3 TRP 41 2HB TRP 41 11.494 -5.705 7.042 300 HD1 TRP 41 HD TRP 41 11.327 -8.941 6.364 301 HE1 TRP 41 1HE TRP 41 9.608 -10.323 7.691 302 HE3 TRP 41 3HE TRP 41 10.656 -5.800 10.342 303 HZ2 TRP 41 2HZ TRP 41 8.160 -10.110 10.104 304 HZ3 TRP 41 3HZ TRP 41 9.086 -6.464 12.117 305 HH2 TRP 41 HH TRP 41 7.864 -8.574 11.998 306 H LYS 42 H LYS 42 13.381 -5.536 4.641 307 HA LYS 42 HA LYS 42 15.909 -4.304 5.111 308 HB2 LYS 42 1HB LYS 42 13.754 -3.975 3.048 309 HB3 LYS 42 2HB LYS 42 15.092 -2.835 3.121 310 HG2 LYS 42 1HG LYS 42 16.558 -4.992 3.072 311 HG3 LYS 42 2HG LYS 42 15.101 -5.727 2.399 312 HD2 LYS 42 1HD LYS 42 16.048 -5.026 0.455 313 HD3 LYS 42 2HD LYS 42 15.199 -3.536 0.877 314 HE2 LYS 42 1HE LYS 42 17.925 -3.894 1.978 315 HE3 LYS 42 2HE LYS 42 17.795 -3.603 0.244 316 HZ1 LYS 42 1HZ LYS 42 16.255 -1.865 2.014 317 HZ2 LYS 42 2HZ LYS 42 17.037 -1.506 0.558 318 HZ3 LYS 42 3HZ LYS 42 17.932 -1.645 1.987 319 H LEU 43 H LEU 43 15.247 -3.500 7.303 320 HA LEU 43 HA LEU 43 13.989 -0.846 7.068 321 HB2 LEU 43 1HB LEU 43 14.010 -2.617 9.505 322 HB3 LEU 43 2HB LEU 43 13.188 -1.068 9.332 323 HG LEU 43 HG LEU 43 12.481 -3.480 7.675 324 HD11 LEU 43 1HD1 LEU 43 11.095 -2.574 10.188 325 HD12 LEU 43 2HD1 LEU 43 12.240 -3.914 10.129 326 HD13 LEU 43 3HD1 LEU 43 10.738 -3.997 9.209 327 HD21 LEU 43 1HD2 LEU 43 11.054 -0.900 8.310 328 HD22 LEU 43 2HD2 LEU 43 10.356 -2.247 7.411 329 HD23 LEU 43 3HD2 LEU 43 11.742 -1.374 6.757 330 H ASN 44 H ASN 44 15.724 0.472 6.921 331 HA ASN 44 HA ASN 44 17.584 0.458 9.193 332 HB2 ASN 44 1HB ASN 44 18.410 0.859 6.309 333 HB3 ASN 44 2HB ASN 44 19.471 0.924 7.713 334 HD21 ASN 44 1HD2 ASN 44 18.331 -0.985 5.263 335 HD22 ASN 44 2HD2 ASN 44 18.761 -2.534 5.896 336 H GLY 45 H GLY 45 15.494 2.087 9.292 337 HA2 GLY 45 1HA GLY 45 14.785 4.279 9.332 338 HA3 GLY 45 2HA GLY 45 16.477 4.612 9.672 339 H GLN 46 H GLN 46 14.026 4.435 7.179 340 HA GLN 46 HA GLN 46 15.395 6.446 5.644 341 HB2 GLN 46 1HB GLN 46 15.522 5.138 3.567 342 HB3 GLN 46 2HB GLN 46 16.545 4.459 4.826 343 HG2 GLN 46 1HG GLN 46 14.786 2.792 5.303 344 HG3 GLN 46 2HG GLN 46 13.852 3.438 3.954 345 HE21 GLN 46 1HE2 GLN 46 14.255 0.934 3.656 346 HE22 GLN 46 2HE2 GLN 46 15.548 0.560 2.574 347 H GLY 47 H GLY 47 14.095 6.593 3.380 348 HA2 GLY 47 1HA GLY 47 11.228 6.367 4.053 349 HA3 GLY 47 2HA GLY 47 11.897 7.836 3.358 350 H LEU 48 H LEU 48 9.995 5.434 2.559 351 HA LEU 48 HA LEU 48 11.114 5.116 -0.148 352 HB2 LEU 48 1HB LEU 48 9.124 3.325 1.232 353 HB3 LEU 48 2HB LEU 48 9.886 3.051 -0.333 354 HG LEU 48 HG LEU 48 11.337 3.084 2.313 355 HD11 LEU 48 1HD1 LEU 48 11.458 0.685 2.109 356 HD12 LEU 48 2HD1 LEU 48 10.571 0.736 0.586 357 HD13 LEU 48 3HD1 LEU 48 9.768 1.191 2.088 358 HD21 LEU 48 1HD2 LEU 48 12.484 3.674 0.029 359 HD22 LEU 48 2HD2 LEU 48 12.414 1.929 -0.215 360 HD23 LEU 48 3HD2 LEU 48 13.269 2.591 1.179 361 H VAL 49 H VAL 49 10.110 6.261 -1.651 362 HA VAL 49 HA VAL 49 7.408 7.246 -1.162 363 HB VAL 49 HB VAL 49 7.998 8.352 -3.521 364 HG11 VAL 49 1HG1 VAL 49 8.308 9.117 -0.736 365 HG12 VAL 49 2HG1 VAL 49 9.380 10.020 -1.809 366 HG13 VAL 49 3HG1 VAL 49 7.639 10.025 -2.091 367 HG21 VAL 49 1HG2 VAL 49 10.722 8.264 -2.286 368 HG22 VAL 49 2HG2 VAL 49 10.213 7.006 -3.412 369 HG23 VAL 49 3HG2 VAL 49 10.255 8.690 -3.933 370 H PHE 50 H PHE 50 5.698 6.973 -2.634 371 HA PHE 50 HA PHE 50 6.023 5.128 -4.849 372 HB2 PHE 50 1HB PHE 50 4.050 4.489 -2.651 373 HB3 PHE 50 2HB PHE 50 4.397 3.526 -4.083 374 HD1 PHE 50 1HD PHE 50 6.911 2.783 -4.324 375 HD2 PHE 50 2HD PHE 50 5.048 3.911 -0.667 376 HE1 PHE 50 1HE PHE 50 8.623 1.536 -3.071 377 HE2 PHE 50 2HE PHE 50 6.757 2.666 0.592 378 HZ PHE 50 HZ PHE 50 8.548 1.478 -0.611 379 H THR 51 H THR 51 5.133 6.298 -6.420 380 HA THR 51 HA THR 51 2.883 8.046 -5.907 381 HB THR 51 HB THR 51 3.099 8.391 -8.478 382 HG1 THR 51 1HG THR 51 5.739 7.499 -8.064 383 HG21 THR 51 1HG2 THR 51 5.359 9.217 -6.651 384 HG22 THR 51 2HG2 THR 51 3.791 10.018 -6.755 385 HG23 THR 51 3HG2 THR 51 4.875 10.017 -8.146 386 H LEU 52 H LEU 52 1.020 6.943 -5.602 387 HA LEU 52 HA LEU 52 0.113 5.243 -7.824 388 HB2 LEU 52 1HB LEU 52 -0.549 4.690 -4.944 389 HB3 LEU 52 2HB LEU 52 -0.864 3.668 -6.345 390 HG LEU 52 HG LEU 52 1.888 4.292 -5.281 391 HD11 LEU 52 1HD1 LEU 52 1.886 2.117 -4.281 392 HD12 LEU 52 2HD1 LEU 52 0.283 1.768 -4.927 393 HD13 LEU 52 3HD1 LEU 52 0.482 3.003 -3.684 394 HD21 LEU 52 1HD2 LEU 52 2.719 2.818 -6.844 395 HD22 LEU 52 2HD2 LEU 52 1.423 3.598 -7.752 396 HD23 LEU 52 3HD2 LEU 52 1.171 1.998 -7.053 397 HA PRO 53 HA PRO 53 -3.363 7.963 -7.800 398 HB2 PRO 53 1HB PRO 53 -5.038 6.448 -9.306 399 HB3 PRO 53 2HB PRO 53 -3.668 7.332 -9.988 400 HG2 PRO 53 1HG PRO 53 -3.881 4.436 -9.261 401 HG3 PRO 53 2HG PRO 53 -3.154 5.178 -10.698 402 HD2 PRO 53 1HD PRO 53 -1.677 4.314 -8.600 403 HD3 PRO 53 2HD PRO 53 -1.202 5.707 -9.593 404 H LEU 54 H LEU 54 -5.485 8.133 -6.959 405 HA LEU 54 HA LEU 54 -6.021 6.285 -4.797 406 HB2 LEU 54 1HB LEU 54 -7.616 8.701 -5.623 407 HB3 LEU 54 2HB LEU 54 -7.668 7.865 -4.072 408 HG LEU 54 HG LEU 54 -5.087 9.075 -4.927 409 HD11 LEU 54 1HD1 LEU 54 -6.178 11.017 -5.344 410 HD12 LEU 54 2HD1 LEU 54 -6.096 11.144 -3.587 411 HD13 LEU 54 3HD1 LEU 54 -7.575 10.575 -4.361 412 HD21 LEU 54 1HD2 LEU 54 -4.778 9.358 -2.581 413 HD22 LEU 54 2HD2 LEU 54 -5.398 7.727 -2.839 414 HD23 LEU 54 3HD2 LEU 54 -6.473 8.997 -2.253 415 H THR 55 H THR 55 -6.615 4.413 -5.972 416 HA THR 55 HA THR 55 -9.339 4.551 -7.086 417 HB THR 55 HB THR 55 -8.659 2.609 -8.572 418 HG1 THR 55 1HG THR 55 -6.677 1.915 -8.383 419 HG21 THR 55 1HG2 THR 55 -8.848 5.101 -9.214 420 HG22 THR 55 2HG2 THR 55 -7.988 4.020 -10.310 421 HG23 THR 55 3HG2 THR 55 -7.085 5.079 -9.227 422 H ASP 56 H ASP 56 -6.901 2.218 -5.923 423 HA ASP 56 HA ASP 56 -9.022 0.517 -4.877 424 HB2 ASP 56 1HB ASP 56 -6.079 0.191 -5.327 425 HB3 ASP 56 2HB ASP 56 -6.903 -0.875 -4.193 426 H GLN 57 H GLN 57 -8.085 -0.613 -2.675 427 HA GLN 57 HA GLN 57 -8.294 1.502 -0.725 428 HB2 GLN 57 1HB GLN 57 -8.123 -1.500 -0.477 429 HB3 GLN 57 2HB GLN 57 -8.235 -0.424 0.910 430 HG2 GLN 57 1HG GLN 57 -10.408 0.178 0.440 431 HG3 GLN 57 2HG GLN 57 -10.269 -0.254 -1.264 432 HE21 GLN 57 1HE2 GLN 57 -12.417 -1.219 -0.464 433 HE22 GLN 57 2HE2 GLN 57 -12.348 -2.872 0.033 434 H VAL 58 H VAL 58 -6.846 0.821 1.392 435 HA VAL 58 HA VAL 58 -4.223 1.671 0.709 436 HB VAL 58 HB VAL 58 -5.159 0.529 3.344 437 HG11 VAL 58 1HG1 VAL 58 -2.911 2.458 2.793 438 HG12 VAL 58 2HG1 VAL 58 -3.302 1.665 4.320 439 HG13 VAL 58 3HG1 VAL 58 -2.690 0.717 2.965 440 HG21 VAL 58 1HG2 VAL 58 -5.390 2.981 3.948 441 HG22 VAL 58 2HG2 VAL 58 -5.318 3.315 2.218 442 HG23 VAL 58 3HG2 VAL 58 -6.621 2.322 2.871 443 H SER 59 H SER 59 -5.682 -1.436 1.364 444 HA SER 59 HA SER 59 -3.744 -3.122 2.068 445 HB2 SER 59 1HB SER 59 -4.735 -4.845 0.662 446 HB3 SER 59 2HB SER 59 -6.009 -3.823 1.326 447 HG SER 59 HG SER 59 -6.472 -3.124 -0.616 448 H VAL 60 H VAL 60 -4.150 -2.107 -1.328 449 HA VAL 60 HA VAL 60 -1.974 -3.333 -2.454 450 HB VAL 60 HB VAL 60 -1.900 -1.447 -4.086 451 HG11 VAL 60 1HG1 VAL 60 -4.782 -2.058 -3.697 452 HG12 VAL 60 2HG1 VAL 60 -3.790 -2.151 -5.154 453 HG13 VAL 60 3HG1 VAL 60 -3.669 -3.407 -3.922 454 HG21 VAL 60 1HG2 VAL 60 -4.083 0.075 -3.599 455 HG22 VAL 60 2HG2 VAL 60 -3.484 -0.172 -1.959 456 HG23 VAL 60 3HG2 VAL 60 -2.435 0.546 -3.181 457 H ILE 61 H ILE 61 -2.039 -0.240 -0.727 458 HA ILE 61 HA ILE 61 0.474 0.724 -1.159 459 HB ILE 61 HB ILE 61 -0.926 0.669 1.517 460 HG12 ILE 61 1HG1 ILE 61 -2.274 1.607 -0.365 461 HG13 ILE 61 2HG1 ILE 61 -1.900 2.786 0.887 462 HG21 ILE 61 1HG2 ILE 61 1.249 1.352 1.981 463 HG22 ILE 61 2HG2 ILE 61 1.403 2.224 0.456 464 HG23 ILE 61 3HG2 ILE 61 0.388 2.873 1.744 465 HD11 ILE 61 1HD1 ILE 61 -1.694 3.555 -1.511 466 HD12 ILE 61 2HD1 ILE 61 -0.310 3.863 -0.462 467 HD13 ILE 61 3HD1 ILE 61 -0.264 2.528 -1.613 468 H LYS 62 H LYS 62 -0.415 -2.097 0.661 469 HA LYS 62 HA LYS 62 2.037 -2.387 2.085 470 HB2 LYS 62 1HB LYS 62 0.024 -4.524 1.363 471 HB3 LYS 62 2HB LYS 62 1.243 -4.618 2.626 472 HG2 LYS 62 1HG LYS 62 -0.777 -2.429 2.708 473 HG3 LYS 62 2HG LYS 62 -1.233 -4.058 3.213 474 HD2 LYS 62 1HD LYS 62 0.540 -4.080 4.862 475 HD3 LYS 62 2HD LYS 62 1.110 -2.503 4.309 476 HE2 LYS 62 1HE LYS 62 -0.156 -2.086 6.255 477 HE3 LYS 62 2HE LYS 62 -1.184 -1.616 4.902 478 HZ1 LYS 62 1HZ LYS 62 -2.712 -3.045 5.582 479 HZ2 LYS 62 2HZ LYS 62 -1.762 -3.429 6.928 480 HZ3 LYS 62 3HZ LYS 62 -1.616 -4.332 5.505 481 H VAL 63 H VAL 63 0.712 -4.072 -0.766 482 HA VAL 63 HA VAL 63 2.742 -5.754 -1.407 483 HB VAL 63 HB VAL 63 0.586 -5.372 -2.696 484 HG11 VAL 63 1HG1 VAL 63 1.820 -2.893 -3.219 485 HG12 VAL 63 2HG1 VAL 63 1.755 -3.766 -4.752 486 HG13 VAL 63 3HG1 VAL 63 0.277 -3.489 -3.830 487 HG21 VAL 63 1HG2 VAL 63 1.639 -6.066 -4.875 488 HG22 VAL 63 2HG2 VAL 63 3.208 -5.796 -4.117 489 HG23 VAL 63 3HG2 VAL 63 2.115 -7.019 -3.470 490 H LYS 64 H LYS 64 2.788 -2.289 -1.584 491 HA LYS 64 HA LYS 64 5.028 -2.025 -3.313 492 HB2 LYS 64 1HB LYS 64 4.012 -0.093 -1.221 493 HB3 LYS 64 2HB LYS 64 5.100 0.294 -2.547 494 HG2 LYS 64 1HG LYS 64 2.309 -0.750 -2.950 495 HG3 LYS 64 2HG LYS 64 2.711 0.967 -2.880 496 HD2 LYS 64 1HD LYS 64 3.781 0.940 -4.899 497 HD3 LYS 64 2HD LYS 64 4.267 -0.750 -4.741 498 HE2 LYS 64 1HE LYS 64 1.831 -1.346 -5.040 499 HE3 LYS 64 2HE LYS 64 1.559 0.339 -5.481 500 HZ1 LYS 64 1HZ LYS 64 3.534 -0.192 -7.117 501 HZ2 LYS 64 2HZ LYS 64 1.930 -0.538 -7.525 502 HZ3 LYS 64 3HZ LYS 64 2.942 -1.769 -6.959 503 H ILE 65 H ILE 65 4.731 -1.673 0.225 504 HA ILE 65 HA ILE 65 7.393 -1.294 0.839 505 HB ILE 65 HB ILE 65 5.360 -2.835 2.455 506 HG12 ILE 65 1HG1 ILE 65 6.171 0.010 2.939 507 HG13 ILE 65 2HG1 ILE 65 4.966 -0.355 1.709 508 HG21 ILE 65 1HG2 ILE 65 7.715 -3.219 3.136 509 HG22 ILE 65 2HG2 ILE 65 7.885 -1.483 3.392 510 HG23 ILE 65 3HG2 ILE 65 6.749 -2.412 4.371 511 HD11 ILE 65 1HD1 ILE 65 4.541 0.012 4.429 512 HD12 ILE 65 2HD1 ILE 65 3.387 -0.591 3.239 513 HD13 ILE 65 3HD1 ILE 65 4.369 -1.723 4.168 514 H HIS 66 H HIS 66 5.644 -4.378 0.567 515 HA HIS 66 HA HIS 66 7.836 -6.036 1.180 516 HB2 HIS 66 1HB HIS 66 5.579 -6.900 1.279 517 HB3 HIS 66 2HB HIS 66 5.341 -6.588 -0.438 518 HD1 HIS 66 1HD HIS 66 6.430 -8.241 -2.105 519 HD2 HIS 66 2HD HIS 66 7.012 -9.221 1.890 520 HE1 HIS 66 1HE HIS 66 7.291 -10.604 -2.111 521 HE2 HIS 66 2HE HIS 66 7.555 -11.204 0.320 522 H GLU 67 H GLU 67 6.664 -4.680 -1.852 523 HA GLU 67 HA GLU 67 8.180 -6.158 -3.653 524 HB2 GLU 67 1HB GLU 67 6.930 -3.463 -3.672 525 HB3 GLU 67 2HB GLU 67 8.133 -3.794 -4.910 526 HG2 GLU 67 1HG GLU 67 5.664 -5.435 -4.389 527 HG3 GLU 67 2HG GLU 67 5.860 -4.251 -5.680 528 H ALA 68 H ALA 68 9.017 -3.144 -1.969 529 HA ALA 68 HA ALA 68 11.708 -3.185 -3.043 530 HB1 ALA 68 1HB ALA 68 10.965 -1.012 -2.864 531 HB2 ALA 68 2HB ALA 68 10.148 -1.304 -1.328 532 HB3 ALA 68 3HB ALA 68 11.906 -1.186 -1.382 533 H THR 69 H THR 69 10.329 -3.165 0.251 534 HA THR 69 HA THR 69 12.820 -4.237 1.307 535 HB THR 69 HB THR 69 11.818 -3.918 3.518 536 HG1 THR 69 1HG THR 69 9.631 -4.350 2.939 537 HG21 THR 69 1HG2 THR 69 11.915 -1.585 3.558 538 HG22 THR 69 2HG2 THR 69 11.189 -1.432 1.958 539 HG23 THR 69 3HG2 THR 69 12.848 -2.006 2.122 540 H GLY 70 H GLY 70 12.835 -6.106 2.730 541 HA2 GLY 70 1HA GLY 70 11.259 -8.263 1.617 542 HA3 GLY 70 2HA GLY 70 12.552 -8.413 2.798 543 H MET 71 H MET 71 9.911 -6.195 3.287 544 HA MET 71 HA MET 71 9.119 -7.716 5.645 545 HB2 MET 71 1HB MET 71 9.569 -5.161 5.554 546 HB3 MET 71 2HB MET 71 7.962 -5.063 4.849 547 HG2 MET 71 1HG MET 71 6.948 -5.929 6.795 548 HG3 MET 71 2HG MET 71 8.500 -6.425 7.467 549 HE1 MET 71 1HE MET 71 8.374 -4.794 9.992 550 HE2 MET 71 2HE MET 71 7.015 -3.688 9.796 551 HE3 MET 71 3HE MET 71 6.863 -5.370 9.287 552 HA PRO 72 HA PRO 72 5.559 -9.425 3.676 553 HB2 PRO 72 1HB PRO 72 4.180 -10.115 5.910 554 HB3 PRO 72 2HB PRO 72 5.595 -11.008 5.341 555 HG2 PRO 72 1HG PRO 72 5.403 -8.937 7.494 556 HG3 PRO 72 2HG PRO 72 6.294 -10.470 7.492 557 HD2 PRO 72 1HD PRO 72 7.494 -8.086 7.031 558 HD3 PRO 72 2HD PRO 72 8.045 -9.595 6.276 559 H ALA 73 H ALA 73 3.276 -9.073 3.445 560 HA ALA 73 HA ALA 73 2.515 -6.325 4.077 561 HB1 ALA 73 1HB ALA 73 0.485 -7.410 2.548 562 HB2 ALA 73 2HB ALA 73 1.830 -6.431 1.959 563 HB3 ALA 73 3HB ALA 73 1.941 -8.191 1.930 564 H GLY 74 H GLY 74 2.504 -7.846 6.333 565 HA2 GLY 74 1HA GLY 74 -0.343 -7.856 6.988 566 HA3 GLY 74 2HA GLY 74 0.533 -9.358 7.238 567 H LYS 75 H LYS 75 2.899 -8.577 8.272 568 HA LYS 75 HA LYS 75 2.192 -7.913 10.952 569 HB2 LYS 75 1HB LYS 75 4.784 -8.434 9.528 570 HB3 LYS 75 2HB LYS 75 4.779 -7.842 11.184 571 HG2 LYS 75 1HG LYS 75 3.142 -9.849 11.573 572 HG3 LYS 75 2HG LYS 75 3.903 -10.474 10.108 573 HD2 LYS 75 1HD LYS 75 6.126 -9.926 11.302 574 HD3 LYS 75 2HD LYS 75 5.144 -9.861 12.768 575 HE2 LYS 75 1HE LYS 75 6.099 -12.070 12.507 576 HE3 LYS 75 2HE LYS 75 4.349 -12.144 12.309 577 HZ1 LYS 75 1HZ LYS 75 5.848 -13.384 10.648 578 HZ2 LYS 75 2HZ LYS 75 6.095 -11.862 9.953 579 HZ3 LYS 75 3HZ LYS 75 4.533 -12.503 10.052 580 H GLN 76 H GLN 76 3.913 -6.208 8.364 581 HA GLN 76 HA GLN 76 4.569 -3.914 9.861 582 HB2 GLN 76 1HB GLN 76 5.091 -2.875 7.769 583 HB3 GLN 76 2HB GLN 76 5.575 -4.563 7.661 584 HG2 GLN 76 1HG GLN 76 3.274 -4.930 6.572 585 HG3 GLN 76 2HG GLN 76 3.269 -3.180 6.353 586 HE21 GLN 76 1HE2 GLN 76 3.113 -4.245 4.085 587 HE22 GLN 76 2HE2 GLN 76 4.616 -4.389 3.246 588 H LYS 77 H LYS 77 3.426 -2.177 10.448 589 HA LYS 77 HA LYS 77 0.645 -1.993 9.508 590 HB2 LYS 77 1HB LYS 77 1.386 -2.235 12.038 591 HB3 LYS 77 2HB LYS 77 1.619 -0.497 11.902 592 HG2 LYS 77 1HG LYS 77 -0.664 -0.136 11.398 593 HG3 LYS 77 2HG LYS 77 -0.954 -1.861 11.160 594 HD2 LYS 77 1HD LYS 77 -0.044 -0.726 13.793 595 HD3 LYS 77 2HD LYS 77 -1.750 -0.856 13.357 596 HE2 LYS 77 1HE LYS 77 0.123 -3.205 13.246 597 HE3 LYS 77 2HE LYS 77 -0.745 -2.763 14.716 598 HZ1 LYS 77 1HZ LYS 77 -1.764 -3.893 12.224 599 HZ2 LYS 77 2HZ LYS 77 -2.761 -2.795 13.036 600 HZ3 LYS 77 3HZ LYS 77 -2.233 -4.197 13.821 601 H LEU 78 H LEU 78 -0.247 0.079 9.043 602 HA LEU 78 HA LEU 78 1.770 2.114 8.355 603 HB2 LEU 78 1HB LEU 78 -0.802 1.609 6.874 604 HB3 LEU 78 2HB LEU 78 0.507 2.694 6.408 605 HG LEU 78 HG LEU 78 0.730 -0.313 6.515 606 HD11 LEU 78 1HD1 LEU 78 -0.846 0.765 4.772 607 HD12 LEU 78 2HD1 LEU 78 0.355 -0.408 4.233 608 HD13 LEU 78 3HD1 LEU 78 0.645 1.317 4.008 609 HD21 LEU 78 1HD2 LEU 78 2.620 1.885 6.070 610 HD22 LEU 78 2HD2 LEU 78 2.680 0.604 4.860 611 HD23 LEU 78 3HD2 LEU 78 2.910 0.218 6.566 612 H GLN 79 H GLN 79 1.266 4.258 8.727 613 HA GLN 79 HA GLN 79 -1.333 4.879 9.916 614 HB2 GLN 79 1HB GLN 79 0.372 4.317 11.717 615 HB3 GLN 79 2HB GLN 79 1.235 5.768 11.223 616 HG2 GLN 79 1HG GLN 79 -0.967 6.997 11.637 617 HG3 GLN 79 2HG GLN 79 -1.468 5.538 12.490 618 HE21 GLN 79 1HE2 GLN 79 -0.987 5.401 14.565 619 HE22 GLN 79 2HE2 GLN 79 0.182 6.362 15.399 620 H TYR 80 H TYR 80 -2.123 6.780 9.253 621 HA TYR 80 HA TYR 80 -0.293 8.592 7.822 622 HB2 TYR 80 1HB TYR 80 -1.812 7.799 6.217 623 HB3 TYR 80 2HB TYR 80 -3.169 7.860 7.336 624 HD1 TYR 80 1HD TYR 80 -0.647 10.473 6.489 625 HD2 TYR 80 2HD TYR 80 -4.729 9.279 6.357 626 HE1 TYR 80 1HE TYR 80 -1.261 12.688 5.615 627 HE2 TYR 80 2HE TYR 80 -5.354 11.490 5.482 628 HH TYR 80 HH TYR 80 -3.564 13.477 4.055 629 H GLU 81 H GLU 81 0.239 10.133 9.260 630 HA GLU 81 HA GLU 81 0.040 11.949 10.616 631 HB2 GLU 81 1HB GLU 81 -2.801 11.923 9.586 632 HB3 GLU 81 2HB GLU 81 -2.102 13.223 10.541 633 HG2 GLU 81 1HG GLU 81 -0.750 12.381 8.026 634 HG3 GLU 81 2HG GLU 81 -2.201 13.378 7.938 635 H GLY 82 H GLY 82 -0.448 9.247 11.620 636 HA2 GLY 82 1HA GLY 82 -0.661 8.763 13.962 637 HA3 GLY 82 2HA GLY 82 -1.892 10.014 14.068 638 H ILE 83 H ILE 83 -3.256 9.090 11.636 639 HA ILE 83 HA ILE 83 -5.008 7.213 12.872 640 HB ILE 83 HB ILE 83 -4.912 8.144 10.000 641 HG12 ILE 83 1HG1 ILE 83 -6.726 9.056 12.239 642 HG13 ILE 83 2HG1 ILE 83 -5.264 9.912 11.760 643 HG21 ILE 83 1HG2 ILE 83 -6.122 5.950 10.572 644 HG22 ILE 83 2HG2 ILE 83 -7.298 6.979 11.389 645 HG23 ILE 83 3HG2 ILE 83 -7.005 7.175 9.661 646 HD11 ILE 83 1HD1 ILE 83 -6.845 11.069 10.593 647 HD12 ILE 83 2HD1 ILE 83 -6.391 9.856 9.395 648 HD13 ILE 83 3HD1 ILE 83 -7.863 9.650 10.346 649 H PHE 84 H PHE 84 -4.798 5.084 12.955 650 HA PHE 84 HA PHE 84 -2.736 3.719 11.523 651 HB2 PHE 84 1HB PHE 84 -4.850 2.929 13.486 652 HB3 PHE 84 2HB PHE 84 -4.040 1.672 12.556 653 HD1 PHE 84 1HD PHE 84 -3.602 4.305 15.072 654 HD2 PHE 84 2HD PHE 84 -1.754 1.101 12.967 655 HE1 PHE 84 1HE PHE 84 -1.725 4.348 16.662 656 HE2 PHE 84 2HE PHE 84 0.126 1.138 14.554 657 HZ PHE 84 HZ PHE 84 0.142 2.762 16.405 658 H ILE 85 H ILE 85 -3.829 4.631 9.441 659 HA ILE 85 HA ILE 85 -6.116 3.754 8.286 660 HB ILE 85 HB ILE 85 -4.842 3.682 6.091 661 HG12 ILE 85 1HG1 ILE 85 -2.535 4.832 7.621 662 HG13 ILE 85 2HG1 ILE 85 -2.671 3.086 7.437 663 HG21 ILE 85 1HG2 ILE 85 -5.029 5.980 7.958 664 HG22 ILE 85 2HG2 ILE 85 -4.120 6.207 6.465 665 HG23 ILE 85 3HG2 ILE 85 -5.813 5.718 6.400 666 HD11 ILE 85 1HD1 ILE 85 -2.903 4.775 5.008 667 HD12 ILE 85 2HD1 ILE 85 -1.311 4.553 5.736 668 HD13 ILE 85 3HD1 ILE 85 -2.241 3.152 5.204 669 H LYS 86 H LYS 86 -7.015 1.844 7.933 670 HA LYS 86 HA LYS 86 -5.428 -0.575 8.165 671 HB2 LYS 86 1HB LYS 86 -8.326 0.095 8.207 672 HB3 LYS 86 2HB LYS 86 -7.881 -1.523 7.677 673 HG2 LYS 86 1HG LYS 86 -8.108 -1.928 9.893 674 HG3 LYS 86 2HG LYS 86 -6.414 -1.431 9.884 675 HD2 LYS 86 1HD LYS 86 -6.988 0.779 10.598 676 HD3 LYS 86 2HD LYS 86 -8.710 0.456 10.388 677 HE2 LYS 86 1HE LYS 86 -7.018 -1.141 12.287 678 HE3 LYS 86 2HE LYS 86 -7.761 0.385 12.766 679 HZ1 LYS 86 1HZ LYS 86 -9.897 -0.723 11.852 680 HZ2 LYS 86 2HZ LYS 86 -9.339 -1.141 13.392 681 HZ3 LYS 86 3HZ LYS 86 -9.048 -2.169 12.080 682 H ASP 87 H ASP 87 -6.085 -2.407 6.594 683 HA ASP 87 HA ASP 87 -5.459 -1.472 3.930 684 HB2 ASP 87 1HB ASP 87 -5.712 -4.106 3.567 685 HB3 ASP 87 2HB ASP 87 -4.265 -3.391 4.273 686 H SER 88 H SER 88 -8.172 -2.949 5.613 687 HA SER 88 HA SER 88 -9.753 -3.504 3.343 688 HB2 SER 88 1HB SER 88 -10.297 -4.561 5.434 689 HB3 SER 88 2HB SER 88 -10.506 -3.002 6.229 690 HG SER 88 HG SER 88 -12.262 -2.646 4.715 691 H ASN 89 H ASN 89 -9.273 -0.619 5.262 692 HA ASN 89 HA ASN 89 -11.501 0.827 4.244 693 HB2 ASN 89 1HB ASN 89 -8.991 1.609 5.707 694 HB3 ASN 89 2HB ASN 89 -10.102 2.831 5.097 695 HD21 ASN 89 1HD2 ASN 89 -10.214 -0.223 6.902 696 HD22 ASN 89 2HD2 ASN 89 -11.363 0.316 8.074 697 H SER 90 H SER 90 -11.446 2.645 2.805 698 HA SER 90 HA SER 90 -9.677 2.178 0.546 699 HB2 SER 90 1HB SER 90 -11.982 4.121 0.833 700 HB3 SER 90 2HB SER 90 -11.144 3.719 -0.665 701 HG SER 90 HG SER 90 -12.858 2.396 -0.684 702 H LEU 91 H LEU 91 -8.460 3.852 -0.466 703 HA LEU 91 HA LEU 91 -7.023 5.475 1.363 704 HB2 LEU 91 1HB LEU 91 -7.040 5.180 -1.615 705 HB3 LEU 91 2HB LEU 91 -6.102 6.460 -0.848 706 HG LEU 91 HG LEU 91 -5.710 3.632 0.030 707 HD11 LEU 91 1HD1 LEU 91 -5.504 3.301 -2.281 708 HD12 LEU 91 2HD1 LEU 91 -3.855 3.557 -1.713 709 HD13 LEU 91 3HD1 LEU 91 -4.720 4.862 -2.523 710 HD21 LEU 91 1HD2 LEU 91 -4.217 4.700 1.285 711 HD22 LEU 91 2HD2 LEU 91 -4.448 6.207 0.396 712 HD23 LEU 91 3HD2 LEU 91 -3.302 5.001 -0.193 713 H ALA 92 H ALA 92 -8.949 6.448 -1.481 714 HA ALA 92 HA ALA 92 -9.038 9.123 -1.221 715 HB1 ALA 92 1HB ALA 92 -10.271 8.428 -3.007 716 HB2 ALA 92 2HB ALA 92 -11.077 7.150 -2.097 717 HB3 ALA 92 3HB ALA 92 -11.579 8.828 -1.893 718 H TYR 93 H TYR 93 -11.203 6.908 0.539 719 HA TYR 93 HA TYR 93 -12.786 8.590 1.931 720 HB2 TYR 93 1HB TYR 93 -12.894 6.170 2.204 721 HB3 TYR 93 2HB TYR 93 -11.355 6.175 3.058 722 HD1 TYR 93 1HD TYR 93 -11.206 6.985 5.354 723 HD2 TYR 93 2HD TYR 93 -14.930 6.896 3.297 724 HE1 TYR 93 1HE TYR 93 -12.387 7.280 7.491 725 HE2 TYR 93 2HE TYR 93 -16.121 7.192 5.428 726 HH TYR 93 HH TYR 93 -14.556 8.103 8.298 727 H TYR 94 H TYR 94 -9.491 7.681 2.927 728 HA TYR 94 HA TYR 94 -9.381 9.280 5.225 729 HB2 TYR 94 1HB TYR 94 -7.152 8.358 3.401 730 HB3 TYR 94 2HB TYR 94 -6.908 9.078 4.988 731 HD1 TYR 94 2HD TYR 94 -8.489 7.861 6.862 732 HD2 TYR 94 1HD TYR 94 -6.949 6.071 3.323 733 HE1 TYR 94 2HE TYR 94 -8.691 5.642 7.903 734 HE2 TYR 94 1HE TYR 94 -7.148 3.847 4.353 735 HH TYR 94 HH TYR 94 -7.465 2.750 6.319 736 H ASN 95 H ASN 95 -8.771 10.011 1.849 737 HA ASN 95 HA ASN 95 -8.659 12.014 0.757 738 HB2 ASN 95 1HB ASN 95 -8.833 13.605 3.275 739 HB3 ASN 95 2HB ASN 95 -9.575 13.904 1.706 740 HD21 ASN 95 1HD2 ASN 95 -10.953 11.683 1.179 741 HD22 ASN 95 2HD2 ASN 95 -12.166 11.405 2.377 742 H MET 96 H MET 96 -6.344 10.779 1.211 743 HA MET 96 HA MET 96 -4.445 12.438 2.586 744 HB2 MET 96 1HB MET 96 -3.966 10.160 0.657 745 HB3 MET 96 2HB MET 96 -2.771 10.876 1.730 746 HG2 MET 96 1HG MET 96 -4.069 10.125 3.665 747 HG3 MET 96 2HG MET 96 -5.246 9.389 2.579 748 HE1 MET 96 1HE MET 96 -4.656 6.449 3.513 749 HE2 MET 96 2HE MET 96 -3.246 6.691 4.544 750 HE3 MET 96 3HE MET 96 -4.580 7.845 4.588 751 H ALA 97 H ALA 97 -3.139 13.983 1.778 752 HA ALA 97 HA ALA 97 -3.636 14.858 -0.956 753 HB1 ALA 97 1HB ALA 97 -2.574 16.917 -0.330 754 HB2 ALA 97 2HB ALA 97 -3.718 16.466 0.935 755 HB3 ALA 97 3HB ALA 97 -1.990 16.209 1.177 756 H SER 98 H SER 98 -1.873 15.458 -2.374 757 HA SER 98 HA SER 98 -0.093 13.481 -2.948 758 HB2 SER 98 1HB SER 98 0.400 16.435 -3.401 759 HB3 SER 98 2HB SER 98 1.154 15.107 -4.283 760 HG SER 98 HG SER 98 -1.258 16.272 -4.667 761 H GLY 99 H GLY 99 2.345 13.579 -2.893 762 HA2 GLY 99 1HA GLY 99 4.163 13.240 -1.500 763 HA3 GLY 99 2HA GLY 99 3.959 14.963 -1.226 764 H ALA 100 H ALA 100 1.794 12.349 -0.234 765 HA ALA 100 HA ALA 100 1.533 13.368 2.395 766 HB1 ALA 100 1HB ALA 100 0.348 11.296 0.817 767 HB2 ALA 100 2HB ALA 100 0.753 10.667 2.414 768 HB3 ALA 100 3HB ALA 100 -0.276 12.091 2.263 769 H VAL 101 H VAL 101 1.728 11.460 4.208 770 HA VAL 101 HA VAL 101 4.363 10.213 4.033 771 HB VAL 101 HB VAL 101 4.839 12.389 5.015 772 HG11 VAL 101 1HG1 VAL 101 2.357 12.307 6.068 773 HG12 VAL 101 2HG1 VAL 101 3.319 11.883 7.486 774 HG13 VAL 101 3HG1 VAL 101 3.627 13.393 6.629 775 HG21 VAL 101 1HG2 VAL 101 5.544 9.934 6.062 776 HG22 VAL 101 2HG2 VAL 101 6.324 11.477 6.411 777 HG23 VAL 101 3HG2 VAL 101 5.062 10.866 7.480 778 H ILE 102 H ILE 102 3.887 8.151 4.426 779 HA ILE 102 HA ILE 102 1.912 7.515 6.506 780 HB ILE 102 HB ILE 102 3.053 5.692 4.385 781 HG12 ILE 102 1HG1 ILE 102 1.625 7.593 3.537 782 HG13 ILE 102 2HG1 ILE 102 1.016 5.984 3.167 783 HG21 ILE 102 1HG2 ILE 102 0.924 5.342 6.475 784 HG22 ILE 102 2HG2 ILE 102 1.012 4.320 5.041 785 HG23 ILE 102 3HG2 ILE 102 2.354 4.352 6.185 786 HD11 ILE 102 1HD1 ILE 102 -0.525 7.925 4.113 787 HD12 ILE 102 2HD1 ILE 102 -0.802 6.224 4.490 788 HD13 ILE 102 3HD1 ILE 102 0.035 7.259 5.647 789 H HIS 103 H HIS 103 2.800 7.191 8.436 790 HA HIS 103 HA HIS 103 5.518 6.334 8.762 791 HB2 HIS 103 1HB HIS 103 3.373 6.544 10.881 792 HB3 HIS 103 2HB HIS 103 5.116 6.534 11.131 793 HD1 HIS 103 1HD HIS 103 6.417 8.702 10.288 794 HD2 HIS 103 2HD HIS 103 2.275 9.012 10.410 795 HE1 HIS 103 1HE HIS 103 5.923 11.165 10.167 796 HE2 HIS 103 2HE HIS 103 3.415 11.333 10.328 797 H LEU 104 H LEU 104 6.294 4.357 9.313 798 HA LEU 104 HA LEU 104 4.446 2.117 9.059 799 HB2 LEU 104 1HB LEU 104 6.913 2.521 8.037 800 HB3 LEU 104 2HB LEU 104 7.318 1.611 9.491 801 HG LEU 104 HG LEU 104 5.458 0.686 7.301 802 HD11 LEU 104 1HD1 LEU 104 7.304 0.092 6.223 803 HD12 LEU 104 2HD1 LEU 104 7.651 -1.023 7.544 804 HD13 LEU 104 3HD1 LEU 104 8.323 0.608 7.567 805 HD21 LEU 104 1HD2 LEU 104 5.493 -0.080 9.947 806 HD22 LEU 104 2HD2 LEU 104 6.511 -1.288 9.161 807 HD23 LEU 104 3HD2 LEU 104 4.859 -1.026 8.600 808 H ALA 105 H ALA 105 3.750 0.953 10.727 809 HA ALA 105 HA ALA 105 5.183 1.190 13.293 810 HB1 ALA 105 1HB ALA 105 2.633 2.089 12.778 811 HB2 ALA 105 2HB ALA 105 2.363 0.521 13.540 812 HB3 ALA 105 3HB ALA 105 3.313 1.754 14.370 813 H LEU 106 H LEU 106 5.651 -0.655 14.362 814 HA LEU 106 HA LEU 106 5.324 -3.146 12.970 815 HB2 LEU 106 1HB LEU 106 6.754 -2.201 15.385 816 HB3 LEU 106 2HB LEU 106 6.350 -3.915 15.313 817 HG LEU 106 HG LEU 106 8.647 -3.389 14.539 818 HD11 LEU 106 1HD1 LEU 106 7.845 -5.418 13.742 819 HD12 LEU 106 2HD1 LEU 106 8.354 -4.581 12.276 820 HD13 LEU 106 3HD1 LEU 106 6.644 -4.650 12.704 821 HD21 LEU 106 1HD2 LEU 106 8.636 -1.364 13.466 822 HD22 LEU 106 2HD2 LEU 106 7.116 -1.687 12.632 823 HD23 LEU 106 3HD2 LEU 106 8.604 -2.460 12.084 824 H LYS 107 H LYS 107 4.115 -4.917 13.566 825 HA LYS 107 HA LYS 107 1.632 -4.467 14.779 826 HB2 LYS 107 1HB LYS 107 2.092 -6.288 13.169 827 HB3 LYS 107 2HB LYS 107 3.058 -7.106 14.390 828 HG2 LYS 107 1HG LYS 107 1.097 -7.369 15.797 829 HG3 LYS 107 2HG LYS 107 0.117 -6.495 14.617 830 HD2 LYS 107 1HD LYS 107 0.644 -8.244 12.946 831 HD3 LYS 107 2HD LYS 107 1.521 -9.133 14.193 832 HE2 LYS 107 1HE LYS 107 -0.445 -9.542 15.425 833 HE3 LYS 107 2HE LYS 107 -1.358 -8.334 14.522 834 HZ1 LYS 107 1HZ LYS 107 -1.725 -9.750 12.822 835 HZ2 LYS 107 2HZ LYS 107 -1.514 -10.923 14.022 836 HZ3 LYS 107 3HZ LYS 107 -0.235 -10.536 12.983 837 H GLU 108 H GLU 108 0.779 -5.045 16.778 838 HA GLU 108 HA GLU 108 2.075 -4.488 19.058 839 HB2 GLU 108 1HB GLU 108 -0.311 -4.961 19.008 840 HB3 GLU 108 2HB GLU 108 0.006 -6.665 18.713 841 HG2 GLU 108 1HG GLU 108 1.128 -6.790 20.915 842 HG3 GLU 108 2HG GLU 108 0.660 -5.116 21.207 843 H ARG 109 H ARG 109 3.899 -5.184 19.932 844 HA ARG 109 HA ARG 109 5.368 -7.386 19.176 845 HB2 ARG 109 1HB ARG 109 6.567 -7.133 21.343 846 HB3 ARG 109 2HB ARG 109 6.368 -5.619 20.471 847 HG2 ARG 109 1HG ARG 109 4.560 -4.967 21.927 848 HG3 ARG 109 2HG ARG 109 4.622 -6.527 22.749 849 HD2 ARG 109 1HD ARG 109 6.801 -6.051 23.622 850 HD3 ARG 109 2HD ARG 109 6.924 -4.586 22.648 851 HE ARG 109 HE ARG 109 5.468 -4.921 25.126 852 HH11 ARG 109 2HH1 ARG 109 5.970 -2.986 22.276 853 HH12 ARG 109 1HH1 ARG 109 5.320 -1.543 22.982 854 HH21 ARG 109 2HH2 ARG 109 4.609 -3.028 26.066 855 HH22 ARG 109 1HH2 ARG 109 4.546 -1.569 25.138 856 H SER 110 H SER 110 5.679 -9.462 19.989 857 HA SER 110 HA SER 110 4.892 -11.510 20.635 858 HB2 SER 110 1HB SER 110 4.301 -9.880 23.117 859 HB3 SER 110 2HB SER 110 4.316 -11.643 23.056 860 HG SER 110 HG SER 110 6.426 -11.625 23.044 861 H GLY 111 H GLY 111 3.065 -10.377 18.997 862 HA2 GLY 111 1HA GLY 111 0.451 -10.406 20.263 863 HA3 GLY 111 2HA GLY 111 0.787 -10.091 18.567 864 HA PRO 112 HA PRO 112 -1.149 -14.261 18.771 865 HB2 PRO 112 1HB PRO 112 -2.618 -13.925 16.513 866 HB3 PRO 112 2HB PRO 112 -3.163 -13.379 18.103 867 HG2 PRO 112 1HG PRO 112 -1.892 -11.808 15.895 868 HG3 PRO 112 2HG PRO 112 -3.265 -11.374 16.930 869 HD2 PRO 112 1HD PRO 112 -0.762 -10.433 17.359 870 HD3 PRO 112 2HD PRO 112 -1.906 -10.741 18.681 871 H SER 113 H SER 113 1.032 -12.660 16.796 872 HA SER 113 HA SER 113 1.351 -13.916 14.458 873 HB2 SER 113 1HB SER 113 3.820 -13.794 14.784 874 HB3 SER 113 2HB SER 113 2.988 -12.311 15.252 875 HG SER 113 HG SER 113 4.207 -14.259 16.863 876 H SER 114 H SER 114 2.713 -15.276 17.464 877 HA SER 114 HA SER 114 2.907 -17.885 16.164 878 HB2 SER 114 1HB SER 114 4.850 -16.991 17.445 879 HB3 SER 114 2HB SER 114 3.870 -17.047 18.910 880 HG SER 114 HG SER 114 5.197 -19.045 17.648 881 H GLY 115 H GLY 115 1.438 -19.423 16.455 882 HA2 GLY 115 1HA GLY 115 0.089 -19.786 18.972 883 HA3 GLY 115 2HA GLY 115 -0.967 -19.169 17.710 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -11.623 27.015 -4.195 2 HA2 GLY 1 1HA GLY 1 -9.987 28.444 -2.883 3 HA3 GLY 1 2HA GLY 1 -11.098 29.758 -3.238 4 H SER 2 H SER 2 -10.163 27.817 -0.845 5 HA SER 2 HA SER 2 -12.477 28.332 0.738 6 HB2 SER 2 1HB SER 2 -13.012 26.215 -0.693 7 HB3 SER 2 2HB SER 2 -11.921 25.397 0.425 8 HG SER 2 HG SER 2 -14.141 26.959 1.246 9 H SER 3 H SER 3 -11.885 28.515 2.809 10 HA SER 3 HA SER 3 -9.350 27.260 3.638 11 HB2 SER 3 1HB SER 3 -9.489 29.870 3.296 12 HB3 SER 3 2HB SER 3 -10.274 29.826 4.874 13 HG SER 3 HG SER 3 -7.956 28.340 4.668 14 H GLY 4 H GLY 4 -9.148 27.005 6.026 15 HA2 GLY 4 1HA GLY 4 -10.630 27.124 8.108 16 HA3 GLY 4 2HA GLY 4 -11.756 26.190 7.134 17 H SER 5 H SER 5 -8.229 25.925 7.474 18 HA SER 5 HA SER 5 -8.420 23.071 7.741 19 HB2 SER 5 1HB SER 5 -6.031 24.915 7.993 20 HB3 SER 5 2HB SER 5 -5.955 23.155 7.916 21 HG SER 5 HG SER 5 -6.296 23.227 5.831 22 H SER 6 H SER 6 -8.760 22.007 9.564 23 HA SER 6 HA SER 6 -7.765 23.140 12.086 24 HB2 SER 6 1HB SER 6 -10.242 23.565 11.783 25 HB3 SER 6 2HB SER 6 -10.472 21.818 11.833 26 HG SER 6 HG SER 6 -10.452 23.355 13.875 27 H GLY 7 H GLY 7 -7.590 21.531 13.829 28 HA2 GLY 7 1HA GLY 7 -6.507 19.060 12.778 29 HA3 GLY 7 2HA GLY 7 -6.437 19.606 14.447 30 H THR 8 H THR 8 -8.803 18.478 12.036 31 HA THR 8 HA THR 8 -9.878 16.622 14.005 32 HB THR 8 HB THR 8 -12.241 17.487 13.041 33 HG1 THR 8 1HG THR 8 -11.887 19.934 13.403 34 HG21 THR 8 1HG2 THR 8 -12.330 18.924 15.174 35 HG22 THR 8 2HG2 THR 8 -10.679 18.368 15.450 36 HG23 THR 8 3HG2 THR 8 -11.998 17.202 15.352 37 H GLU 9 H GLU 9 -10.290 14.721 13.080 38 HA GLU 9 HA GLU 9 -10.614 14.646 10.153 39 HB2 GLU 9 1HB GLU 9 -9.672 12.378 10.237 40 HB3 GLU 9 2HB GLU 9 -8.556 13.569 10.890 41 HG2 GLU 9 1HG GLU 9 -8.367 11.890 12.429 42 HG3 GLU 9 2HG GLU 9 -9.609 12.895 13.174 43 H ASP 10 H ASP 10 -12.791 15.087 11.927 44 HA ASP 10 HA ASP 10 -14.206 12.534 12.037 45 HB2 ASP 10 1HB ASP 10 -14.316 14.010 14.003 46 HB3 ASP 10 2HB ASP 10 -15.038 15.275 13.013 47 H SER 11 H SER 11 -14.382 15.686 10.465 48 HA SER 11 HA SER 11 -16.680 14.788 8.886 49 HB2 SER 11 1HB SER 11 -15.400 17.527 9.060 50 HB3 SER 11 2HB SER 11 -16.877 17.132 8.181 51 HG SER 11 HG SER 11 -16.546 16.738 10.970 52 H LEU 12 H LEU 12 -14.257 13.513 8.345 53 HA LEU 12 HA LEU 12 -12.707 14.619 6.311 54 HB2 LEU 12 1HB LEU 12 -13.403 11.794 7.037 55 HB3 LEU 12 2HB LEU 12 -12.373 12.155 5.653 56 HG LEU 12 HG LEU 12 -11.737 13.079 8.447 57 HD11 LEU 12 1HD1 LEU 12 -10.430 10.718 7.169 58 HD12 LEU 12 2HD1 LEU 12 -11.940 10.517 8.056 59 HD13 LEU 12 3HD1 LEU 12 -10.519 11.169 8.872 60 HD21 LEU 12 1HD2 LEU 12 -9.694 13.717 7.625 61 HD22 LEU 12 2HD2 LEU 12 -10.721 14.050 6.230 62 HD23 LEU 12 3HD2 LEU 12 -9.754 12.576 6.281 63 H MET 13 H MET 13 -13.060 15.045 4.230 64 HA MET 13 HA MET 13 -15.494 15.107 3.010 65 HB2 MET 13 1HB MET 13 -12.704 15.118 2.062 66 HB3 MET 13 2HB MET 13 -13.896 14.666 0.850 67 HG2 MET 13 1HG MET 13 -13.863 16.912 0.534 68 HG3 MET 13 2HG MET 13 -15.128 16.807 1.755 69 HE1 MET 13 1HE MET 13 -15.310 17.987 3.559 70 HE2 MET 13 2HE MET 13 -14.116 18.924 4.456 71 HE3 MET 13 3HE MET 13 -14.711 19.511 2.903 72 HA PRO 14 HA PRO 14 -16.716 11.018 1.976 73 HB2 PRO 14 1HB PRO 14 -18.110 11.464 -0.310 74 HB3 PRO 14 2HB PRO 14 -18.712 11.923 1.287 75 HG2 PRO 14 1HG PRO 14 -17.378 13.614 -0.791 76 HG3 PRO 14 2HG PRO 14 -18.788 13.986 0.218 77 HD2 PRO 14 1HD PRO 14 -16.307 14.916 0.780 78 HD3 PRO 14 2HD PRO 14 -17.493 14.534 2.044 79 H GLU 15 H GLU 15 -17.114 9.883 -0.483 80 HA GLU 15 HA GLU 15 -14.376 9.764 -1.548 81 HB2 GLU 15 1HB GLU 15 -15.364 7.689 -0.524 82 HB3 GLU 15 2HB GLU 15 -16.547 7.684 -1.824 83 HG2 GLU 15 1HG GLU 15 -14.568 7.646 -3.416 84 HG3 GLU 15 2HG GLU 15 -13.584 7.269 -2.003 85 H GLU 16 H GLU 16 -17.786 9.792 -2.507 86 HA GLU 16 HA GLU 16 -17.442 9.715 -5.272 87 HB2 GLU 16 1HB GLU 16 -19.579 10.971 -3.557 88 HB3 GLU 16 2HB GLU 16 -19.665 10.967 -5.313 89 HG2 GLU 16 1HG GLU 16 -19.787 8.649 -3.424 90 HG3 GLU 16 2HG GLU 16 -20.949 9.140 -4.655 91 H GLU 17 H GLU 17 -18.239 12.654 -3.413 92 HA GLU 17 HA GLU 17 -17.612 14.471 -5.422 93 HB2 GLU 17 1HB GLU 17 -17.736 14.686 -2.431 94 HB3 GLU 17 2HB GLU 17 -17.220 16.060 -3.399 95 HG2 GLU 17 1HG GLU 17 -19.542 16.300 -2.956 96 HG3 GLU 17 2HG GLU 17 -19.353 15.895 -4.661 97 H PHE 18 H PHE 18 -15.565 13.087 -2.898 98 HA PHE 18 HA PHE 18 -13.309 14.596 -3.033 99 HB2 PHE 18 1HB PHE 18 -13.119 12.871 -1.515 100 HB3 PHE 18 2HB PHE 18 -13.765 11.674 -2.633 101 HD1 PHE 18 2HD PHE 18 -10.775 13.780 -1.988 102 HD2 PHE 18 1HD PHE 18 -12.337 10.248 -3.779 103 HE1 PHE 18 2HE PHE 18 -8.488 13.032 -2.499 104 HE2 PHE 18 1HE PHE 18 -10.052 9.494 -4.292 105 HZ PHE 18 HZ PHE 18 -8.124 10.887 -3.653 106 H LEU 19 H LEU 19 -13.883 11.746 -5.105 107 HA LEU 19 HA LEU 19 -11.687 11.938 -6.740 108 HB2 LEU 19 1HB LEU 19 -14.473 11.172 -7.600 109 HB3 LEU 19 2HB LEU 19 -12.976 10.749 -8.428 110 HG LEU 19 HG LEU 19 -13.766 9.799 -5.675 111 HD11 LEU 19 1HD1 LEU 19 -14.726 7.992 -6.582 112 HD12 LEU 19 2HD1 LEU 19 -13.513 7.863 -7.855 113 HD13 LEU 19 3HD1 LEU 19 -14.862 8.985 -8.033 114 HD21 LEU 19 1HD2 LEU 19 -11.718 8.954 -5.459 115 HD22 LEU 19 2HD2 LEU 19 -11.250 9.987 -6.811 116 HD23 LEU 19 3HD2 LEU 19 -11.727 8.313 -7.103 117 H ARG 20 H ARG 20 -14.709 13.738 -6.936 118 HA ARG 20 HA ARG 20 -14.210 14.960 -9.439 119 HB2 ARG 20 1HB ARG 20 -15.924 15.927 -7.143 120 HB3 ARG 20 2HB ARG 20 -15.982 16.540 -8.791 121 HG2 ARG 20 1HG ARG 20 -16.724 14.368 -9.592 122 HG3 ARG 20 2HG ARG 20 -16.625 13.720 -7.953 123 HD2 ARG 20 1HD ARG 20 -18.928 14.353 -8.660 124 HD3 ARG 20 2HD ARG 20 -18.371 15.175 -7.203 125 HE ARG 20 HE ARG 20 -18.388 17.178 -8.349 126 HH11 ARG 20 2HH1 ARG 20 -18.896 14.530 -10.551 127 HH12 ARG 20 1HH1 ARG 20 -19.363 15.548 -11.873 128 HH21 ARG 20 2HH2 ARG 20 -19.000 18.529 -10.082 129 HH22 ARG 20 1HH2 ARG 20 -19.420 17.822 -11.606 130 H ARG 21 H ARG 21 -13.116 15.615 -6.220 131 HA ARG 21 HA ARG 21 -12.135 18.265 -6.956 132 HB2 ARG 21 1HB ARG 21 -12.556 16.796 -4.406 133 HB3 ARG 21 2HB ARG 21 -11.258 17.982 -4.445 134 HG2 ARG 21 1HG ARG 21 -13.948 18.765 -5.448 135 HG3 ARG 21 2HG ARG 21 -13.677 18.652 -3.708 136 HD2 ARG 21 1HD ARG 21 -12.063 20.310 -5.644 137 HD3 ARG 21 2HD ARG 21 -13.297 20.923 -4.543 138 HE ARG 21 HE ARG 21 -11.606 19.708 -2.858 139 HH11 ARG 21 2HH1 ARG 21 -11.071 21.952 -5.465 140 HH12 ARG 21 1HH1 ARG 21 -9.661 22.655 -4.743 141 HH21 ARG 21 2HH2 ARG 21 -9.752 20.626 -1.897 142 HH22 ARG 21 1HH2 ARG 21 -8.912 21.900 -2.715 143 H ASN 22 H ASN 22 -10.652 15.619 -5.089 144 HA ASN 22 HA ASN 22 -8.133 16.153 -6.511 145 HB2 ASN 22 1HB ASN 22 -8.390 14.629 -3.923 146 HB3 ASN 22 2HB ASN 22 -6.958 15.398 -4.600 147 HD21 ASN 22 1HD2 ASN 22 -10.089 15.993 -3.134 148 HD22 ASN 22 2HD2 ASN 22 -9.717 17.571 -2.536 149 H LYS 23 H LYS 23 -7.252 14.634 -7.767 150 HA LYS 23 HA LYS 23 -8.306 11.889 -7.582 151 HB2 LYS 23 1HB LYS 23 -8.147 11.698 -10.007 152 HB3 LYS 23 2HB LYS 23 -9.205 13.031 -9.564 153 HG2 LYS 23 1HG LYS 23 -6.342 13.631 -10.070 154 HG3 LYS 23 2HG LYS 23 -7.380 13.269 -11.451 155 HD2 LYS 23 1HD LYS 23 -8.687 15.137 -11.129 156 HD3 LYS 23 2HD LYS 23 -8.314 15.231 -9.407 157 HE2 LYS 23 1HE LYS 23 -7.118 17.014 -10.264 158 HE3 LYS 23 2HE LYS 23 -5.902 15.739 -10.219 159 HZ1 LYS 23 1HZ LYS 23 -5.855 16.941 -12.314 160 HZ2 LYS 23 2HZ LYS 23 -7.471 16.541 -12.610 161 HZ3 LYS 23 3HZ LYS 23 -6.295 15.326 -12.565 162 H GLY 24 H GLY 24 -5.571 13.988 -8.080 163 HA2 GLY 24 1HA GLY 24 -3.422 13.215 -7.233 164 HA3 GLY 24 2HA GLY 24 -3.813 11.626 -7.874 165 HA PRO 25 HA PRO 25 -2.265 10.584 -8.461 166 HB2 PRO 25 1HB PRO 25 0.419 10.428 -8.838 167 HB3 PRO 25 2HB PRO 25 -0.753 9.829 -10.018 168 HG2 PRO 25 1HG PRO 25 0.759 12.412 -9.995 169 HG3 PRO 25 2HG PRO 25 0.439 11.315 -11.351 170 HD2 PRO 25 1HD PRO 25 -0.985 13.582 -10.945 171 HD3 PRO 25 2HD PRO 25 -1.696 12.124 -11.666 172 H VAL 26 H VAL 26 -0.718 10.105 -6.630 173 HA VAL 26 HA VAL 26 0.153 12.555 -5.256 174 HB VAL 26 HB VAL 26 -0.695 11.687 -3.124 175 HG11 VAL 26 1HG1 VAL 26 -3.033 11.659 -4.987 176 HG12 VAL 26 2HG1 VAL 26 -2.871 12.421 -3.404 177 HG13 VAL 26 3HG1 VAL 26 -2.061 13.119 -4.807 178 HG21 VAL 26 1HG2 VAL 26 -0.628 9.274 -3.906 179 HG22 VAL 26 2HG2 VAL 26 -2.024 9.747 -2.937 180 HG23 VAL 26 3HG2 VAL 26 -2.177 9.590 -4.687 181 H SER 27 H SER 27 2.003 12.386 -4.060 182 HA SER 27 HA SER 27 3.385 9.787 -4.183 183 HB2 SER 27 1HB SER 27 4.621 11.337 -5.489 184 HB3 SER 27 2HB SER 27 4.442 12.612 -4.284 185 HG SER 27 HG SER 27 5.674 10.307 -3.392 186 H ILE 28 H ILE 28 3.626 8.783 -2.311 187 HA ILE 28 HA ILE 28 3.582 10.376 0.164 188 HB ILE 28 HB ILE 28 2.870 8.347 1.324 189 HG12 ILE 28 1HG1 ILE 28 2.398 6.939 -1.266 190 HG13 ILE 28 2HG1 ILE 28 4.023 6.915 -0.590 191 HG21 ILE 28 1HG2 ILE 28 1.176 8.966 -1.093 192 HG22 ILE 28 2HG2 ILE 28 0.619 8.180 0.383 193 HG23 ILE 28 3HG2 ILE 28 1.173 9.853 0.431 194 HD11 ILE 28 1HD1 ILE 28 1.692 5.403 0.163 195 HD12 ILE 28 2HD1 ILE 28 3.382 5.171 0.612 196 HD13 ILE 28 3HD1 ILE 28 2.366 6.272 1.542 197 H LYS 29 H LYS 29 4.827 9.369 2.001 198 HA LYS 29 HA LYS 29 7.307 8.102 1.050 199 HB2 LYS 29 1HB LYS 29 7.322 10.677 1.662 200 HB3 LYS 29 2HB LYS 29 7.418 10.056 3.305 201 HG2 LYS 29 1HG LYS 29 9.412 8.730 2.608 202 HG3 LYS 29 2HG LYS 29 9.354 9.565 1.055 203 HD2 LYS 29 1HD LYS 29 9.340 11.211 3.531 204 HD3 LYS 29 2HD LYS 29 10.854 10.438 3.057 205 HE2 LYS 29 1HE LYS 29 9.200 12.125 1.190 206 HE3 LYS 29 2HE LYS 29 10.496 12.779 2.190 207 HZ1 LYS 29 1HZ LYS 29 11.756 10.751 1.031 208 HZ2 LYS 29 2HZ LYS 29 11.715 12.310 0.374 209 HZ3 LYS 29 3HZ LYS 29 10.649 11.125 -0.192 210 H VAL 30 H VAL 30 7.618 6.221 2.024 211 HA VAL 30 HA VAL 30 6.242 5.638 4.526 212 HB VAL 30 HB VAL 30 7.822 3.845 2.678 213 HG11 VAL 30 1HG1 VAL 30 8.053 2.679 4.619 214 HG12 VAL 30 2HG1 VAL 30 6.617 3.397 5.352 215 HG13 VAL 30 3HG1 VAL 30 6.449 2.115 4.152 216 HG21 VAL 30 1HG2 VAL 30 5.827 4.398 1.582 217 HG22 VAL 30 2HG2 VAL 30 5.487 2.850 2.355 218 HG23 VAL 30 3HG2 VAL 30 4.887 4.345 3.074 219 H GLN 31 H GLN 31 7.278 6.277 6.308 220 HA GLN 31 HA GLN 31 10.134 6.470 6.455 221 HB2 GLN 31 1HB GLN 31 8.270 7.835 7.709 222 HB3 GLN 31 2HB GLN 31 8.385 6.529 8.881 223 HG2 GLN 31 1HG GLN 31 9.803 8.268 9.626 224 HG3 GLN 31 2HG GLN 31 10.839 6.980 9.015 225 HE21 GLN 31 1HE2 GLN 31 12.577 7.949 8.230 226 HE22 GLN 31 2HE2 GLN 31 12.578 9.262 7.107 227 H VAL 32 H VAL 32 11.209 4.578 6.366 228 HA VAL 32 HA VAL 32 10.272 2.288 7.905 229 HB VAL 32 HB VAL 32 12.670 2.521 6.082 230 HG11 VAL 32 1HG1 VAL 32 11.940 -0.118 6.187 231 HG12 VAL 32 2HG1 VAL 32 13.265 0.615 7.093 232 HG13 VAL 32 3HG1 VAL 32 11.683 0.416 7.847 233 HG21 VAL 32 1HG2 VAL 32 10.913 0.892 4.810 234 HG22 VAL 32 2HG2 VAL 32 9.816 2.040 5.577 235 HG23 VAL 32 3HG2 VAL 32 11.081 2.618 4.492 236 HA PRO 33 HA PRO 33 12.945 3.587 11.259 237 HB2 PRO 33 1HB PRO 33 12.159 1.628 12.966 238 HB3 PRO 33 2HB PRO 33 11.198 3.080 12.662 239 HG2 PRO 33 1HG PRO 33 10.897 0.334 11.509 240 HG3 PRO 33 2HG PRO 33 9.646 1.442 12.102 241 HD2 PRO 33 1HD PRO 33 10.191 1.136 9.467 242 HD3 PRO 33 2HD PRO 33 9.639 2.677 10.156 243 H ASN 34 H ASN 34 14.402 2.233 12.807 244 HA ASN 34 HA ASN 34 15.854 0.282 11.150 245 HB2 ASN 34 1HB ASN 34 17.444 1.893 11.516 246 HB3 ASN 34 2HB ASN 34 16.730 2.402 13.044 247 HD21 ASN 34 1HD2 ASN 34 18.285 -0.449 11.613 248 HD22 ASN 34 2HD2 ASN 34 19.246 -0.829 12.997 249 H MET 35 H MET 35 15.201 -1.702 11.731 250 HA MET 35 HA MET 35 14.753 -2.307 14.555 251 HB2 MET 35 1HB MET 35 14.013 -3.625 11.976 252 HB3 MET 35 2HB MET 35 14.101 -4.603 13.435 253 HG2 MET 35 1HG MET 35 12.370 -2.178 13.013 254 HG3 MET 35 2HG MET 35 11.837 -3.858 13.039 255 HE1 MET 35 1HE MET 35 11.789 -0.856 14.476 256 HE2 MET 35 2HE MET 35 10.548 -1.500 15.552 257 HE3 MET 35 3HE MET 35 12.069 -0.902 16.217 258 H GLN 36 H GLN 36 16.667 -2.641 15.550 259 HA GLN 36 HA GLN 36 18.743 -4.205 14.245 260 HB2 GLN 36 1HB GLN 36 19.097 -2.076 15.676 261 HB3 GLN 36 2HB GLN 36 18.883 -3.147 17.054 262 HG2 GLN 36 1HG GLN 36 21.201 -2.973 16.705 263 HG3 GLN 36 2HG GLN 36 20.731 -4.561 16.100 264 HE21 GLN 36 1HE2 GLN 36 22.343 -4.841 14.646 265 HE22 GLN 36 2HE2 GLN 36 22.564 -3.854 13.246 266 H ASP 37 H ASP 37 16.025 -4.953 15.868 267 HA ASP 37 HA ASP 37 16.996 -6.930 17.698 268 HB2 ASP 37 1HB ASP 37 14.272 -6.261 16.601 269 HB3 ASP 37 2HB ASP 37 14.531 -7.661 17.639 270 H LYS 38 H LYS 38 18.256 -7.401 15.330 271 HA LYS 38 HA LYS 38 18.486 -8.861 13.547 272 HB2 LYS 38 1HB LYS 38 19.141 -9.980 15.807 273 HB3 LYS 38 2HB LYS 38 17.697 -10.951 15.551 274 HG2 LYS 38 1HG LYS 38 19.477 -12.216 14.694 275 HG3 LYS 38 2HG LYS 38 18.656 -11.539 13.285 276 HD2 LYS 38 1HD LYS 38 20.347 -9.940 12.937 277 HD3 LYS 38 2HD LYS 38 21.029 -10.191 14.546 278 HE2 LYS 38 1HE LYS 38 20.972 -12.343 12.444 279 HE3 LYS 38 2HE LYS 38 22.307 -11.202 12.603 280 HZ1 LYS 38 1HZ LYS 38 21.619 -12.400 15.101 281 HZ2 LYS 38 2HZ LYS 38 23.118 -12.326 14.321 282 HZ3 LYS 38 3HZ LYS 38 22.030 -13.566 13.945 283 H THR 39 H THR 39 16.148 -7.815 13.015 284 HA THR 39 HA THR 39 14.120 -9.908 12.860 285 HB THR 39 HB THR 39 13.244 -7.786 13.514 286 HG1 THR 39 1HG THR 39 11.804 -7.387 11.717 287 HG21 THR 39 1HG2 THR 39 14.951 -6.284 12.774 288 HG22 THR 39 2HG2 THR 39 13.448 -5.799 11.990 289 HG23 THR 39 3HG2 THR 39 14.664 -6.700 11.085 290 H GLU 40 H GLU 40 13.168 -10.567 10.890 291 HA GLU 40 HA GLU 40 15.045 -10.650 8.687 292 HB2 GLU 40 1HB GLU 40 13.451 -12.237 7.684 293 HB3 GLU 40 2HB GLU 40 13.901 -12.699 9.319 294 HG2 GLU 40 1HG GLU 40 11.454 -11.062 8.956 295 HG3 GLU 40 2HG GLU 40 11.401 -12.761 8.487 296 H TRP 41 H TRP 41 13.679 -8.123 9.375 297 HA TRP 41 HA TRP 41 12.222 -7.678 6.853 298 HB2 TRP 41 1HB TRP 41 12.022 -6.076 9.412 299 HB3 TRP 41 2HB TRP 41 11.071 -5.833 7.949 300 HD1 TRP 41 HD TRP 41 10.594 -9.112 7.604 301 HE1 TRP 41 1HE TRP 41 8.764 -10.169 9.074 302 HE3 TRP 41 3HE TRP 41 10.264 -5.504 11.211 303 HZ2 TRP 41 2HZ TRP 41 7.365 -9.554 11.447 304 HZ3 TRP 41 3HZ TRP 41 8.655 -5.814 13.046 305 HH2 TRP 41 HH TRP 41 7.236 -7.798 13.160 306 H LYS 42 H LYS 42 12.986 -6.215 5.445 307 HA LYS 42 HA LYS 42 15.602 -5.173 5.759 308 HB2 LYS 42 1HB LYS 42 13.437 -4.668 3.721 309 HB3 LYS 42 2HB LYS 42 15.018 -3.904 3.631 310 HG2 LYS 42 1HG LYS 42 14.894 -6.862 3.892 311 HG3 LYS 42 2HG LYS 42 14.486 -6.131 2.338 312 HD2 LYS 42 1HD LYS 42 17.010 -5.435 3.815 313 HD3 LYS 42 2HD LYS 42 16.920 -6.810 2.712 314 HE2 LYS 42 1HE LYS 42 16.134 -4.017 1.912 315 HE3 LYS 42 2HE LYS 42 17.777 -4.633 1.738 316 HZ1 LYS 42 1HZ LYS 42 16.410 -6.576 0.561 317 HZ2 LYS 42 2HZ LYS 42 17.003 -5.231 -0.275 318 HZ3 LYS 42 3HZ LYS 42 15.385 -5.275 0.218 319 H LEU 43 H LEU 43 15.213 -4.050 7.829 320 HA LEU 43 HA LEU 43 14.115 -1.350 7.388 321 HB2 LEU 43 1HB LEU 43 14.309 -2.783 10.028 322 HB3 LEU 43 2HB LEU 43 13.508 -1.248 9.702 323 HG LEU 43 HG LEU 43 12.597 -3.857 8.506 324 HD11 LEU 43 1HD1 LEU 43 10.797 -3.715 10.270 325 HD12 LEU 43 2HD1 LEU 43 11.829 -2.554 11.104 326 HD13 LEU 43 3HD1 LEU 43 12.396 -4.201 10.833 327 HD21 LEU 43 1HD2 LEU 43 11.923 -1.694 7.438 328 HD22 LEU 43 2HD2 LEU 43 11.107 -1.276 8.945 329 HD23 LEU 43 3HD2 LEU 43 10.582 -2.683 8.018 330 H ASN 44 H ASN 44 15.898 -0.184 6.911 331 HA ASN 44 HA ASN 44 18.011 -0.108 8.954 332 HB2 ASN 44 1HB ASN 44 18.389 -0.149 5.955 333 HB3 ASN 44 2HB ASN 44 19.660 0.285 7.094 334 HD21 ASN 44 1HD2 ASN 44 20.972 -1.290 7.631 335 HD22 ASN 44 2HD2 ASN 44 20.604 -2.978 7.612 336 H GLY 45 H GLY 45 16.256 1.670 9.409 337 HA2 GLY 45 1HA GLY 45 15.564 3.887 9.236 338 HA3 GLY 45 2HA GLY 45 17.295 4.128 9.424 339 H GLN 46 H GLN 46 14.652 3.949 7.131 340 HA GLN 46 HA GLN 46 16.060 5.746 5.360 341 HB2 GLN 46 1HB GLN 46 16.113 4.385 3.442 342 HB3 GLN 46 2HB GLN 46 16.736 3.363 4.731 343 HG2 GLN 46 1HG GLN 46 13.830 3.269 4.106 344 HG3 GLN 46 2HG GLN 46 14.965 2.471 3.019 345 HE21 GLN 46 1HE2 GLN 46 13.863 0.517 3.655 346 HE22 GLN 46 2HE2 GLN 46 14.309 -0.276 5.123 347 H GLY 47 H GLY 47 14.573 6.010 3.267 348 HA2 GLY 47 1HA GLY 47 11.755 6.000 4.133 349 HA3 GLY 47 2HA GLY 47 12.488 7.481 3.534 350 H LEU 48 H LEU 48 10.467 5.128 2.662 351 HA LEU 48 HA LEU 48 11.441 4.856 -0.084 352 HB2 LEU 48 1HB LEU 48 8.975 3.579 1.054 353 HB3 LEU 48 2HB LEU 48 9.919 3.083 -0.349 354 HG LEU 48 HG LEU 48 10.722 2.820 2.547 355 HD11 LEU 48 1HD1 LEU 48 10.469 0.485 2.246 356 HD12 LEU 48 2HD1 LEU 48 10.232 0.663 0.508 357 HD13 LEU 48 3HD1 LEU 48 8.996 1.235 1.629 358 HD21 LEU 48 1HD2 LEU 48 12.237 1.788 0.167 359 HD22 LEU 48 2HD2 LEU 48 12.766 1.900 1.846 360 HD23 LEU 48 3HD2 LEU 48 12.572 3.365 0.882 361 H VAL 49 H VAL 49 10.149 5.403 -1.879 362 HA VAL 49 HA VAL 49 7.825 7.114 -1.335 363 HB VAL 49 HB VAL 49 10.088 7.839 -3.200 364 HG11 VAL 49 1HG1 VAL 49 8.868 9.683 -3.911 365 HG12 VAL 49 2HG1 VAL 49 7.655 8.402 -3.858 366 HG13 VAL 49 3HG1 VAL 49 7.745 9.588 -2.555 367 HG21 VAL 49 1HG2 VAL 49 9.358 9.759 -1.149 368 HG22 VAL 49 2HG2 VAL 49 9.904 8.226 -0.469 369 HG23 VAL 49 3HG2 VAL 49 10.943 9.117 -1.582 370 H PHE 50 H PHE 50 6.169 6.898 -2.747 371 HA PHE 50 HA PHE 50 6.593 5.619 -5.323 372 HB2 PHE 50 1HB PHE 50 4.496 4.453 -3.511 373 HB3 PHE 50 2HB PHE 50 5.188 3.769 -4.978 374 HD1 PHE 50 1HD PHE 50 7.672 3.117 -4.900 375 HD2 PHE 50 2HD PHE 50 5.303 3.823 -1.435 376 HE1 PHE 50 1HE PHE 50 9.276 1.833 -3.546 377 HE2 PHE 50 2HE PHE 50 6.904 2.542 -0.075 378 HZ PHE 50 HZ PHE 50 8.893 1.545 -1.130 379 H THR 51 H THR 51 5.588 6.906 -6.705 380 HA THR 51 HA THR 51 3.402 8.597 -5.868 381 HB THR 51 HB THR 51 4.546 8.283 -8.647 382 HG1 THR 51 1HG THR 51 5.819 9.137 -6.561 383 HG21 THR 51 1HG2 THR 51 2.338 9.392 -8.489 384 HG22 THR 51 2HG2 THR 51 3.609 10.481 -9.046 385 HG23 THR 51 3HG2 THR 51 3.038 10.571 -7.381 386 H LEU 52 H LEU 52 1.415 7.786 -5.740 387 HA LEU 52 HA LEU 52 0.335 6.337 -8.027 388 HB2 LEU 52 1HB LEU 52 -0.021 5.285 -5.231 389 HB3 LEU 52 2HB LEU 52 -0.554 4.541 -6.737 390 HG LEU 52 HG LEU 52 2.348 4.930 -6.029 391 HD11 LEU 52 1HD1 LEU 52 0.420 2.836 -5.211 392 HD12 LEU 52 2HD1 LEU 52 1.850 3.449 -4.383 393 HD13 LEU 52 3HD1 LEU 52 2.025 2.311 -5.719 394 HD21 LEU 52 1HD2 LEU 52 1.155 2.931 -7.919 395 HD22 LEU 52 2HD2 LEU 52 2.815 3.521 -7.829 396 HD23 LEU 52 3HD2 LEU 52 1.535 4.572 -8.438 397 HA PRO 53 HA PRO 53 -3.072 9.010 -7.184 398 HB2 PRO 53 1HB PRO 53 -4.927 7.767 -8.728 399 HB3 PRO 53 2HB PRO 53 -3.620 8.748 -9.400 400 HG2 PRO 53 1HG PRO 53 -3.812 5.772 -9.136 401 HG3 PRO 53 2HG PRO 53 -3.227 6.739 -10.503 402 HD2 PRO 53 1HD PRO 53 -1.553 5.538 -8.746 403 HD3 PRO 53 2HD PRO 53 -1.159 7.075 -9.543 404 H LEU 54 H LEU 54 -5.110 9.036 -6.126 405 HA LEU 54 HA LEU 54 -5.454 6.840 -4.260 406 HB2 LEU 54 1HB LEU 54 -7.094 9.354 -4.418 407 HB3 LEU 54 2HB LEU 54 -6.874 8.285 -3.034 408 HG LEU 54 HG LEU 54 -4.483 9.683 -4.125 409 HD11 LEU 54 1HD1 LEU 54 -4.968 11.658 -2.769 410 HD12 LEU 54 2HD1 LEU 54 -6.566 11.013 -2.397 411 HD13 LEU 54 3HD1 LEU 54 -6.156 11.450 -4.056 412 HD21 LEU 54 1HD2 LEU 54 -5.394 9.068 -1.317 413 HD22 LEU 54 2HD2 LEU 54 -3.802 9.643 -1.813 414 HD23 LEU 54 3HD2 LEU 54 -4.346 8.033 -2.286 415 H THR 55 H THR 55 -6.262 5.221 -5.646 416 HA THR 55 HA THR 55 -9.075 5.628 -6.425 417 HB THR 55 HB THR 55 -8.582 3.871 -8.241 418 HG1 THR 55 1HG THR 55 -6.562 3.188 -7.982 419 HG21 THR 55 1HG2 THR 55 -9.017 6.333 -8.586 420 HG22 THR 55 2HG2 THR 55 -8.052 5.555 -9.840 421 HG23 THR 55 3HG2 THR 55 -7.269 6.558 -8.619 422 H ASP 56 H ASP 56 -6.683 3.008 -6.017 423 HA ASP 56 HA ASP 56 -8.705 1.155 -5.163 424 HB2 ASP 56 1HB ASP 56 -5.687 0.955 -5.193 425 HB3 ASP 56 2HB ASP 56 -6.767 -0.371 -4.772 426 H GLN 57 H GLN 57 -7.778 -0.242 -3.106 427 HA GLN 57 HA GLN 57 -8.299 1.469 -0.873 428 HB2 GLN 57 1HB GLN 57 -7.467 -1.437 -0.939 429 HB3 GLN 57 2HB GLN 57 -8.081 -0.580 0.469 430 HG2 GLN 57 1HG GLN 57 -9.617 -1.014 -2.082 431 HG3 GLN 57 2HG GLN 57 -9.767 -2.001 -0.629 432 HE21 GLN 57 1HE2 GLN 57 -10.078 -0.537 1.408 433 HE22 GLN 57 2HE2 GLN 57 -11.324 0.649 1.252 434 H VAL 58 H VAL 58 -6.786 0.733 1.178 435 HA VAL 58 HA VAL 58 -4.294 2.059 0.654 436 HB VAL 58 HB VAL 58 -5.334 0.762 3.177 437 HG11 VAL 58 1HG1 VAL 58 -2.848 2.349 2.615 438 HG12 VAL 58 2HG1 VAL 58 -3.557 2.272 4.229 439 HG13 VAL 58 3HG1 VAL 58 -3.007 0.796 3.436 440 HG21 VAL 58 1HG2 VAL 58 -5.850 3.007 3.899 441 HG22 VAL 58 2HG2 VAL 58 -5.173 3.677 2.414 442 HG23 VAL 58 3HG2 VAL 58 -6.638 2.697 2.352 443 H SER 59 H SER 59 -5.363 -1.193 0.726 444 HA SER 59 HA SER 59 -3.098 -2.571 1.562 445 HB2 SER 59 1HB SER 59 -5.270 -3.652 1.114 446 HB3 SER 59 2HB SER 59 -5.045 -3.378 -0.614 447 HG SER 59 HG SER 59 -2.877 -4.573 0.121 448 H VAL 60 H VAL 60 -3.911 -1.284 -1.631 449 HA VAL 60 HA VAL 60 -1.891 -2.362 -3.162 450 HB VAL 60 HB VAL 60 -2.058 -0.386 -4.603 451 HG11 VAL 60 1HG1 VAL 60 -3.941 -1.253 -5.399 452 HG12 VAL 60 2HG1 VAL 60 -4.138 -2.132 -3.881 453 HG13 VAL 60 3HG1 VAL 60 -4.871 -0.540 -4.081 454 HG21 VAL 60 1HG2 VAL 60 -2.407 1.603 -3.675 455 HG22 VAL 60 2HG2 VAL 60 -4.085 1.129 -3.414 456 HG23 VAL 60 3HG2 VAL 60 -2.888 0.865 -2.147 457 H ILE 61 H ILE 61 -1.613 -0.171 -0.557 458 HA ILE 61 HA ILE 61 0.976 0.856 -1.376 459 HB ILE 61 HB ILE 61 -0.710 1.295 1.081 460 HG12 ILE 61 1HG1 ILE 61 -0.267 3.733 0.068 461 HG13 ILE 61 2HG1 ILE 61 -0.080 2.796 -1.411 462 HG21 ILE 61 1HG2 ILE 61 1.201 3.137 1.378 463 HG22 ILE 61 2HG2 ILE 61 1.288 1.541 2.121 464 HG23 ILE 61 3HG2 ILE 61 2.156 1.863 0.620 465 HD11 ILE 61 1HD1 ILE 61 -2.483 3.421 0.138 466 HD12 ILE 61 2HD1 ILE 61 -2.290 3.080 -1.582 467 HD13 ILE 61 3HD1 ILE 61 -2.374 1.753 -0.424 468 H LYS 62 H LYS 62 -0.363 -1.363 1.027 469 HA LYS 62 HA LYS 62 2.049 -1.902 2.384 470 HB2 LYS 62 1HB LYS 62 -0.350 -3.713 2.056 471 HB3 LYS 62 2HB LYS 62 0.896 -3.851 3.290 472 HG2 LYS 62 1HG LYS 62 0.189 -1.479 3.978 473 HG3 LYS 62 2HG LYS 62 -1.258 -1.792 3.017 474 HD2 LYS 62 1HD LYS 62 -1.946 -3.541 4.406 475 HD3 LYS 62 2HD LYS 62 -0.341 -3.729 5.116 476 HE2 LYS 62 1HE LYS 62 -0.584 -1.569 6.235 477 HE3 LYS 62 2HE LYS 62 -2.180 -1.370 5.515 478 HZ1 LYS 62 1HZ LYS 62 -1.708 -2.460 7.928 479 HZ2 LYS 62 2HZ LYS 62 -1.832 -3.842 6.960 480 HZ3 LYS 62 3HZ LYS 62 -3.104 -2.728 7.011 481 H VAL 63 H VAL 63 0.502 -3.403 -0.412 482 HA VAL 63 HA VAL 63 2.130 -5.646 -0.685 483 HB VAL 63 HB VAL 63 0.028 -5.009 -2.020 484 HG11 VAL 63 1HG1 VAL 63 0.244 -3.790 -4.006 485 HG12 VAL 63 2HG1 VAL 63 1.152 -2.850 -2.819 486 HG13 VAL 63 3HG1 VAL 63 2.005 -3.876 -3.973 487 HG21 VAL 63 1HG2 VAL 63 1.396 -7.051 -2.352 488 HG22 VAL 63 2HG2 VAL 63 0.641 -6.468 -3.836 489 HG23 VAL 63 3HG2 VAL 63 2.355 -6.174 -3.544 490 H LYS 64 H LYS 64 2.640 -2.319 -1.728 491 HA LYS 64 HA LYS 64 4.903 -2.748 -3.335 492 HB2 LYS 64 1HB LYS 64 4.222 -0.305 -1.690 493 HB3 LYS 64 2HB LYS 64 5.347 -0.360 -3.040 494 HG2 LYS 64 1HG LYS 64 2.508 -1.185 -3.443 495 HG3 LYS 64 2HG LYS 64 2.934 0.527 -3.393 496 HD2 LYS 64 1HD LYS 64 4.305 0.358 -5.284 497 HD3 LYS 64 2HD LYS 64 4.404 -1.400 -5.164 498 HE2 LYS 64 1HE LYS 64 1.832 -1.300 -5.537 499 HE3 LYS 64 2HE LYS 64 2.164 0.313 -6.166 500 HZ1 LYS 64 1HZ LYS 64 2.573 -0.711 -8.082 501 HZ2 LYS 64 2HZ LYS 64 2.642 -2.242 -7.367 502 HZ3 LYS 64 3HZ LYS 64 4.017 -1.258 -7.390 503 H ILE 65 H ILE 65 4.625 -1.921 0.109 504 HA ILE 65 HA ILE 65 7.289 -1.647 0.755 505 HB ILE 65 HB ILE 65 5.135 -2.930 2.440 506 HG12 ILE 65 1HG1 ILE 65 6.140 -0.083 2.511 507 HG13 ILE 65 2HG1 ILE 65 4.738 -0.580 1.569 508 HG21 ILE 65 1HG2 ILE 65 6.974 -3.492 3.654 509 HG22 ILE 65 2HG2 ILE 65 7.949 -2.182 2.991 510 HG23 ILE 65 3HG2 ILE 65 6.756 -1.845 4.245 511 HD11 ILE 65 1HD1 ILE 65 3.529 -1.159 3.517 512 HD12 ILE 65 2HD1 ILE 65 4.965 -1.013 4.531 513 HD13 ILE 65 3HD1 ILE 65 4.246 0.426 3.808 514 H HIS 66 H HIS 66 5.432 -4.651 1.281 515 HA HIS 66 HA HIS 66 7.489 -6.342 1.895 516 HB2 HIS 66 1HB HIS 66 5.081 -6.952 1.923 517 HB3 HIS 66 2HB HIS 66 5.113 -7.059 0.165 518 HD1 HIS 66 1HD HIS 66 5.843 -9.239 -0.827 519 HD2 HIS 66 2HD HIS 66 6.714 -8.966 3.226 520 HE1 HIS 66 1HE HIS 66 6.647 -11.525 -0.156 521 HE2 HIS 66 2HE HIS 66 7.087 -11.359 2.318 522 H GLU 67 H GLU 67 6.698 -5.002 -1.208 523 HA GLU 67 HA GLU 67 8.083 -6.823 -2.850 524 HB2 GLU 67 1HB GLU 67 6.472 -4.747 -3.362 525 HB3 GLU 67 2HB GLU 67 8.019 -3.953 -3.619 526 HG2 GLU 67 1HG GLU 67 6.824 -6.259 -5.103 527 HG3 GLU 67 2HG GLU 67 7.397 -4.714 -5.727 528 H ALA 68 H ALA 68 9.105 -3.576 -1.776 529 HA ALA 68 HA ALA 68 11.822 -4.031 -2.562 530 HB1 ALA 68 1HB ALA 68 10.274 -1.800 -1.998 531 HB2 ALA 68 2HB ALA 68 11.472 -1.841 -0.704 532 HB3 ALA 68 3HB ALA 68 11.994 -1.820 -2.389 533 H THR 69 H THR 69 10.171 -3.713 0.576 534 HA THR 69 HA THR 69 12.567 -4.751 1.909 535 HB THR 69 HB THR 69 11.564 -4.022 3.998 536 HG1 THR 69 1HG THR 69 9.360 -4.403 3.433 537 HG21 THR 69 1HG2 THR 69 11.660 -1.662 3.673 538 HG22 THR 69 2HG2 THR 69 11.199 -1.814 1.978 539 HG23 THR 69 3HG2 THR 69 12.778 -2.384 2.518 540 H GLY 70 H GLY 70 12.381 -6.447 3.489 541 HA2 GLY 70 1HA GLY 70 10.563 -8.526 2.617 542 HA3 GLY 70 2HA GLY 70 11.855 -8.693 3.797 543 H MET 71 H MET 71 9.286 -6.284 3.892 544 HA MET 71 HA MET 71 8.459 -7.375 6.481 545 HB2 MET 71 1HB MET 71 9.108 -4.889 6.033 546 HB3 MET 71 2HB MET 71 7.488 -4.768 5.360 547 HG2 MET 71 1HG MET 71 6.471 -5.188 7.408 548 HG3 MET 71 2HG MET 71 7.937 -5.880 8.099 549 HE1 MET 71 1HE MET 71 7.963 -4.609 10.259 550 HE2 MET 71 2HE MET 71 7.767 -2.865 10.437 551 HE3 MET 71 3HE MET 71 6.407 -3.856 9.908 552 HA PRO 72 HA PRO 72 4.780 -9.048 4.696 553 HB2 PRO 72 1HB PRO 72 3.411 -9.455 7.006 554 HB3 PRO 72 2HB PRO 72 4.755 -10.482 6.492 555 HG2 PRO 72 1HG PRO 72 4.740 -8.226 8.460 556 HG3 PRO 72 2HG PRO 72 5.535 -9.807 8.576 557 HD2 PRO 72 1HD PRO 72 6.869 -7.553 7.890 558 HD3 PRO 72 2HD PRO 72 7.309 -9.153 7.258 559 H ALA 73 H ALA 73 2.598 -8.503 4.330 560 HA ALA 73 HA ALA 73 2.011 -5.693 4.709 561 HB1 ALA 73 1HB ALA 73 1.162 -7.800 2.898 562 HB2 ALA 73 2HB ALA 73 -0.183 -6.809 3.464 563 HB3 ALA 73 3HB ALA 73 1.196 -6.052 2.665 564 H GLY 74 H GLY 74 2.044 -7.050 7.140 565 HA2 GLY 74 1HA GLY 74 -0.722 -6.622 7.983 566 HA3 GLY 74 2HA GLY 74 -0.023 -8.200 8.314 567 H LYS 75 H LYS 75 2.132 -8.121 9.488 568 HA LYS 75 HA LYS 75 1.879 -7.128 12.004 569 HB2 LYS 75 1HB LYS 75 4.302 -7.744 10.350 570 HB3 LYS 75 2HB LYS 75 4.492 -7.087 11.970 571 HG2 LYS 75 1HG LYS 75 2.748 -9.468 11.548 572 HG3 LYS 75 2HG LYS 75 4.502 -9.661 11.582 573 HD2 LYS 75 1HD LYS 75 2.916 -8.287 13.747 574 HD3 LYS 75 2HD LYS 75 3.372 -9.992 13.791 575 HE2 LYS 75 1HE LYS 75 5.761 -9.242 13.530 576 HE3 LYS 75 2HE LYS 75 5.193 -7.592 13.780 577 HZ1 LYS 75 1HZ LYS 75 4.276 -9.451 15.777 578 HZ2 LYS 75 2HZ LYS 75 4.980 -7.925 15.963 579 HZ3 LYS 75 3HZ LYS 75 5.959 -9.286 15.737 580 H GLN 76 H GLN 76 3.448 -5.487 9.276 581 HA GLN 76 HA GLN 76 4.326 -3.213 10.625 582 HB2 GLN 76 1HB GLN 76 4.386 -2.126 8.441 583 HB3 GLN 76 2HB GLN 76 5.001 -3.770 8.332 584 HG2 GLN 76 1HG GLN 76 3.070 -4.536 7.244 585 HG3 GLN 76 2HG GLN 76 2.157 -3.090 7.671 586 HE21 GLN 76 1HE2 GLN 76 4.262 -4.560 5.422 587 HE22 GLN 76 2HE2 GLN 76 4.381 -3.236 4.319 588 H LYS 77 H LYS 77 3.463 -1.067 10.694 589 HA LYS 77 HA LYS 77 0.533 -0.917 10.482 590 HB2 LYS 77 1HB LYS 77 1.541 -1.197 12.873 591 HB3 LYS 77 2HB LYS 77 1.991 0.494 12.690 592 HG2 LYS 77 1HG LYS 77 -0.359 1.069 12.304 593 HG3 LYS 77 2HG LYS 77 -0.800 -0.627 12.522 594 HD2 LYS 77 1HD LYS 77 0.784 0.691 14.665 595 HD3 LYS 77 2HD LYS 77 -0.921 1.123 14.512 596 HE2 LYS 77 1HE LYS 77 -1.022 -0.654 15.976 597 HE3 LYS 77 2HE LYS 77 -1.280 -1.456 14.427 598 HZ1 LYS 77 1HZ LYS 77 0.956 -2.194 14.393 599 HZ2 LYS 77 2HZ LYS 77 0.352 -2.562 15.930 600 HZ3 LYS 77 3HZ LYS 77 1.379 -1.234 15.721 601 H LEU 78 H LEU 78 0.056 0.569 9.012 602 HA LEU 78 HA LEU 78 1.914 2.723 8.431 603 HB2 LEU 78 1HB LEU 78 -0.730 2.000 7.176 604 HB3 LEU 78 2HB LEU 78 0.368 3.249 6.593 605 HG LEU 78 HG LEU 78 0.637 0.272 6.447 606 HD11 LEU 78 1HD1 LEU 78 -0.332 1.826 4.630 607 HD12 LEU 78 2HD1 LEU 78 0.864 0.616 4.165 608 HD13 LEU 78 3HD1 LEU 78 1.346 2.301 4.364 609 HD21 LEU 78 1HD2 LEU 78 2.871 2.291 6.370 610 HD22 LEU 78 2HD2 LEU 78 2.999 0.663 5.703 611 HD23 LEU 78 3HD2 LEU 78 2.716 0.889 7.430 612 H GLN 79 H GLN 79 1.793 4.656 9.345 613 HA GLN 79 HA GLN 79 -0.771 5.493 10.527 614 HB2 GLN 79 1HB GLN 79 1.379 5.119 11.970 615 HB3 GLN 79 2HB GLN 79 1.860 6.683 11.325 616 HG2 GLN 79 1HG GLN 79 -0.384 7.538 12.160 617 HG3 GLN 79 2HG GLN 79 -0.494 6.027 13.062 618 HE21 GLN 79 1HE2 GLN 79 0.545 5.852 14.948 619 HE22 GLN 79 2HE2 GLN 79 1.603 7.045 15.611 620 H TYR 80 H TYR 80 -1.688 7.346 9.871 621 HA TYR 80 HA TYR 80 -0.094 9.247 8.308 622 HB2 TYR 80 1HB TYR 80 -1.104 8.052 6.556 623 HB3 TYR 80 2HB TYR 80 -2.620 7.869 7.432 624 HD1 TYR 80 1HD TYR 80 -0.449 10.671 6.223 625 HD2 TYR 80 2HD TYR 80 -4.386 9.113 6.644 626 HE1 TYR 80 1HE TYR 80 -1.347 12.647 5.067 627 HE2 TYR 80 2HE TYR 80 -5.295 11.085 5.489 628 HH TYR 80 HH TYR 80 -3.300 13.839 4.707 629 H GLU 81 H GLU 81 -0.183 11.012 9.545 630 HA GLU 81 HA GLU 81 -0.997 12.798 10.694 631 HB2 GLU 81 1HB GLU 81 -3.547 11.999 9.285 632 HB3 GLU 81 2HB GLU 81 -3.362 13.476 10.220 633 HG2 GLU 81 1HG GLU 81 -1.622 14.239 8.707 634 HG3 GLU 81 2HG GLU 81 -1.751 12.742 7.785 635 H GLY 82 H GLY 82 -0.678 10.615 12.230 636 HA2 GLY 82 1HA GLY 82 -1.257 9.765 14.283 637 HA3 GLY 82 2HA GLY 82 -2.386 11.105 14.418 638 H ILE 83 H ILE 83 -2.586 8.827 11.790 639 HA ILE 83 HA ILE 83 -4.947 7.609 13.065 640 HB ILE 83 HB ILE 83 -4.657 8.371 10.156 641 HG12 ILE 83 1HG1 ILE 83 -6.589 9.402 12.243 642 HG13 ILE 83 2HG1 ILE 83 -5.125 10.245 11.748 643 HG21 ILE 83 1HG2 ILE 83 -5.954 6.503 9.983 644 HG22 ILE 83 2HG2 ILE 83 -6.595 6.660 11.617 645 HG23 ILE 83 3HG2 ILE 83 -7.207 7.695 10.327 646 HD11 ILE 83 1HD1 ILE 83 -7.722 10.090 10.455 647 HD12 ILE 83 2HD1 ILE 83 -6.429 11.276 10.274 648 HD13 ILE 83 3HD1 ILE 83 -6.377 9.768 9.361 649 H PHE 84 H PHE 84 -5.330 5.436 12.651 650 HA PHE 84 HA PHE 84 -3.011 3.973 11.617 651 HB2 PHE 84 1HB PHE 84 -5.299 3.161 13.409 652 HB3 PHE 84 2HB PHE 84 -4.160 1.999 12.737 653 HD1 PHE 84 2HD PHE 84 -1.589 2.936 13.034 654 HD2 PHE 84 1HD PHE 84 -4.905 3.703 15.590 655 HE1 PHE 84 2HE PHE 84 -0.046 3.369 14.901 656 HE2 PHE 84 1HE PHE 84 -3.367 4.138 17.461 657 HZ PHE 84 HZ PHE 84 -0.934 3.970 17.118 658 H ILE 85 H ILE 85 -3.493 4.257 9.396 659 HA ILE 85 HA ILE 85 -5.991 3.395 8.291 660 HB ILE 85 HB ILE 85 -4.903 3.678 6.105 661 HG12 ILE 85 1HG1 ILE 85 -2.426 4.633 7.505 662 HG13 ILE 85 2HG1 ILE 85 -2.618 2.927 7.121 663 HG21 ILE 85 1HG2 ILE 85 -5.843 5.594 7.480 664 HG22 ILE 85 2HG2 ILE 85 -4.171 6.006 7.857 665 HG23 ILE 85 3HG2 ILE 85 -4.727 6.025 6.184 666 HD11 ILE 85 1HD1 ILE 85 -3.254 4.334 4.781 667 HD12 ILE 85 2HD1 ILE 85 -1.795 5.078 5.437 668 HD13 ILE 85 3HD1 ILE 85 -1.829 3.347 5.103 669 H LYS 86 H LYS 86 -6.475 1.518 7.208 670 HA LYS 86 HA LYS 86 -4.448 -0.616 7.267 671 HB2 LYS 86 1HB LYS 86 -7.236 -0.620 8.331 672 HB3 LYS 86 2HB LYS 86 -6.617 -2.102 7.614 673 HG2 LYS 86 1HG LYS 86 -4.962 -2.341 9.231 674 HG3 LYS 86 2HG LYS 86 -5.069 -0.649 9.725 675 HD2 LYS 86 1HD LYS 86 -7.412 -2.488 10.053 676 HD3 LYS 86 2HD LYS 86 -6.107 -2.474 11.242 677 HE2 LYS 86 1HE LYS 86 -6.476 -0.169 11.727 678 HE3 LYS 86 2HE LYS 86 -7.584 0.001 10.367 679 HZ1 LYS 86 1HZ LYS 86 -8.067 -1.698 12.754 680 HZ2 LYS 86 2HZ LYS 86 -9.141 -1.450 11.472 681 HZ3 LYS 86 3HZ LYS 86 -8.742 -0.167 12.499 682 H ASP 87 H ASP 87 -5.120 -2.499 5.838 683 HA ASP 87 HA ASP 87 -5.452 -1.593 3.202 684 HB2 ASP 87 1HB ASP 87 -6.000 -4.188 2.898 685 HB3 ASP 87 2HB ASP 87 -4.366 -3.605 3.202 686 H SER 88 H SER 88 -7.738 -2.731 5.585 687 HA SER 88 HA SER 88 -9.909 -3.239 3.859 688 HB2 SER 88 1HB SER 88 -9.742 -2.547 6.790 689 HB3 SER 88 2HB SER 88 -11.284 -2.834 5.985 690 HG SER 88 HG SER 88 -10.643 -4.779 6.793 691 H ASN 89 H ASN 89 -8.650 -0.311 5.288 692 HA ASN 89 HA ASN 89 -10.953 1.282 4.620 693 HB2 ASN 89 1HB ASN 89 -8.188 1.979 5.614 694 HB3 ASN 89 2HB ASN 89 -9.413 3.194 5.262 695 HD21 ASN 89 1HD2 ASN 89 -8.496 0.566 7.348 696 HD22 ASN 89 2HD2 ASN 89 -9.619 0.916 8.614 697 H SER 90 H SER 90 -11.081 2.879 3.023 698 HA SER 90 HA SER 90 -9.444 2.319 0.672 699 HB2 SER 90 1HB SER 90 -11.865 4.120 0.868 700 HB3 SER 90 2HB SER 90 -11.133 3.472 -0.599 701 HG SER 90 HG SER 90 -12.426 1.847 -0.349 702 H LEU 91 H LEU 91 -8.217 3.843 -0.392 703 HA LEU 91 HA LEU 91 -6.959 5.817 1.144 704 HB2 LEU 91 1HB LEU 91 -7.025 5.135 -1.756 705 HB3 LEU 91 2HB LEU 91 -6.286 6.655 -1.256 706 HG LEU 91 HG LEU 91 -5.417 4.075 -0.010 707 HD11 LEU 91 1HD1 LEU 91 -3.577 4.666 -2.009 708 HD12 LEU 91 2HD1 LEU 91 -5.152 4.783 -2.794 709 HD13 LEU 91 3HD1 LEU 91 -4.691 3.299 -1.959 710 HD21 LEU 91 1HD2 LEU 91 -3.267 5.762 -0.428 711 HD22 LEU 91 2HD2 LEU 91 -4.150 5.546 1.083 712 HD23 LEU 91 3HD2 LEU 91 -4.588 6.855 -0.015 713 H ALA 92 H ALA 92 -9.038 6.350 -1.709 714 HA ALA 92 HA ALA 92 -9.353 9.038 -1.623 715 HB1 ALA 92 1HB ALA 92 -11.630 8.696 -2.572 716 HB2 ALA 92 2HB ALA 92 -10.370 7.748 -3.364 717 HB3 ALA 92 3HB ALA 92 -11.467 6.975 -2.219 718 H TYR 93 H TYR 93 -11.165 6.691 0.327 719 HA TYR 93 HA TYR 93 -12.978 8.344 1.564 720 HB2 TYR 93 1HB TYR 93 -13.111 6.004 1.970 721 HB3 TYR 93 2HB TYR 93 -11.478 5.951 2.625 722 HD1 TYR 93 2HD TYR 93 -14.894 7.249 3.289 723 HD2 TYR 93 1HD TYR 93 -11.101 6.230 4.926 724 HE1 TYR 93 2HE TYR 93 -15.801 7.540 5.556 725 HE2 TYR 93 1HE TYR 93 -11.998 6.517 7.198 726 HH TYR 93 HH TYR 93 -13.808 6.917 8.427 727 H TYR 94 H TYR 94 -9.636 7.684 2.577 728 HA TYR 94 HA TYR 94 -9.704 9.380 4.845 729 HB2 TYR 94 1HB TYR 94 -7.445 8.214 3.224 730 HB3 TYR 94 2HB TYR 94 -7.162 9.244 4.623 731 HD1 TYR 94 2HD TYR 94 -8.729 8.463 6.731 732 HD2 TYR 94 1HD TYR 94 -7.257 5.959 3.622 733 HE1 TYR 94 2HE TYR 94 -8.934 6.511 8.214 734 HE2 TYR 94 1HE TYR 94 -7.458 4.000 5.096 735 HH TYR 94 HH TYR 94 -7.825 3.311 7.203 736 H ASN 95 H ASN 95 -9.257 9.954 1.471 737 HA ASN 95 HA ASN 95 -8.876 11.831 0.244 738 HB2 ASN 95 1HB ASN 95 -9.963 13.040 2.785 739 HB3 ASN 95 2HB ASN 95 -9.566 14.015 1.373 740 HD21 ASN 95 1HD2 ASN 95 -11.725 11.680 2.731 741 HD22 ASN 95 2HD2 ASN 95 -12.924 11.758 1.489 742 H MET 96 H MET 96 -6.569 10.852 1.020 743 HA MET 96 HA MET 96 -4.953 12.509 2.643 744 HB2 MET 96 1HB MET 96 -4.139 10.604 0.441 745 HB3 MET 96 2HB MET 96 -3.058 11.289 1.647 746 HG2 MET 96 1HG MET 96 -4.275 10.144 3.411 747 HG3 MET 96 2HG MET 96 -5.398 9.487 2.223 748 HE1 MET 96 1HE MET 96 -4.200 7.849 4.267 749 HE2 MET 96 2HE MET 96 -4.695 6.696 3.026 750 HE3 MET 96 3HE MET 96 -3.068 6.617 3.706 751 H ALA 97 H ALA 97 -2.825 13.429 1.593 752 HA ALA 97 HA ALA 97 -3.568 15.029 -0.766 753 HB1 ALA 97 1HB ALA 97 -3.673 16.269 1.452 754 HB2 ALA 97 2HB ALA 97 -1.916 16.125 1.491 755 HB3 ALA 97 3HB ALA 97 -2.700 16.999 0.175 756 H SER 98 H SER 98 -1.994 15.366 -2.278 757 HA SER 98 HA SER 98 -0.018 13.555 -2.723 758 HB2 SER 98 1HB SER 98 0.021 16.479 -3.505 759 HB3 SER 98 2HB SER 98 1.041 15.230 -4.218 760 HG SER 98 HG SER 98 -1.798 15.288 -4.256 761 H GLY 99 H GLY 99 2.356 13.766 -2.686 762 HA2 GLY 99 1HA GLY 99 4.294 13.912 -1.461 763 HA3 GLY 99 2HA GLY 99 3.806 15.576 -1.177 764 H ALA 100 H ALA 100 2.002 12.764 -0.092 765 HA ALA 100 HA ALA 100 2.010 13.736 2.608 766 HB1 ALA 100 1HB ALA 100 0.534 11.789 1.064 767 HB2 ALA 100 2HB ALA 100 0.968 11.163 2.655 768 HB3 ALA 100 3HB ALA 100 0.061 12.669 2.517 769 H VAL 101 H VAL 101 2.309 11.885 4.359 770 HA VAL 101 HA VAL 101 4.734 10.339 3.804 771 HB VAL 101 HB VAL 101 5.426 12.525 4.789 772 HG11 VAL 101 1HG1 VAL 101 4.499 11.750 7.471 773 HG12 VAL 101 2HG1 VAL 101 4.616 13.344 6.725 774 HG13 VAL 101 3HG1 VAL 101 3.241 12.300 6.366 775 HG21 VAL 101 1HG2 VAL 101 7.144 11.229 5.364 776 HG22 VAL 101 2HG2 VAL 101 6.400 11.090 6.957 777 HG23 VAL 101 3HG2 VAL 101 6.085 9.866 5.726 778 H ILE 102 H ILE 102 4.350 8.316 4.388 779 HA ILE 102 HA ILE 102 2.369 7.781 6.483 780 HB ILE 102 HB ILE 102 3.580 5.914 4.440 781 HG12 ILE 102 1HG1 ILE 102 2.049 7.544 3.449 782 HG13 ILE 102 2HG1 ILE 102 1.327 5.939 3.442 783 HG21 ILE 102 1HG2 ILE 102 2.172 4.211 5.245 784 HG22 ILE 102 2HG2 ILE 102 2.906 4.924 6.680 785 HG23 ILE 102 3HG2 ILE 102 1.248 5.334 6.242 786 HD11 ILE 102 1HD1 ILE 102 0.314 8.352 4.543 787 HD12 ILE 102 2HD1 ILE 102 -0.448 6.763 4.461 788 HD13 ILE 102 3HD1 ILE 102 0.554 7.191 5.847 789 H HIS 103 H HIS 103 3.238 7.645 8.450 790 HA HIS 103 HA HIS 103 5.948 6.788 8.879 791 HB2 HIS 103 1HB HIS 103 3.724 7.428 10.827 792 HB3 HIS 103 2HB HIS 103 5.388 7.085 11.289 793 HD1 HIS 103 1HD HIS 103 7.144 8.922 10.850 794 HD2 HIS 103 2HD HIS 103 3.288 9.961 9.705 795 HE1 HIS 103 1HE HIS 103 7.213 11.400 10.426 796 HE2 HIS 103 2HE HIS 103 4.849 12.020 9.817 797 H LEU 104 H LEU 104 6.647 4.790 9.261 798 HA LEU 104 HA LEU 104 4.727 2.624 9.412 799 HB2 LEU 104 1HB LEU 104 6.757 2.550 7.962 800 HB3 LEU 104 2HB LEU 104 7.737 2.489 9.426 801 HG LEU 104 HG LEU 104 6.567 0.349 10.011 802 HD11 LEU 104 1HD1 LEU 104 5.242 0.966 7.437 803 HD12 LEU 104 2HD1 LEU 104 4.621 0.141 8.867 804 HD13 LEU 104 3HD1 LEU 104 5.674 -0.717 7.742 805 HD21 LEU 104 1HD2 LEU 104 8.498 0.818 7.866 806 HD22 LEU 104 2HD2 LEU 104 7.692 -0.748 7.775 807 HD23 LEU 104 3HD2 LEU 104 8.567 -0.291 9.237 808 H ALA 105 H ALA 105 4.346 1.331 11.141 809 HA ALA 105 HA ALA 105 5.927 1.767 13.578 810 HB1 ALA 105 1HB ALA 105 4.217 2.533 14.790 811 HB2 ALA 105 2HB ALA 105 3.408 2.826 13.250 812 HB3 ALA 105 3HB ALA 105 3.105 1.331 14.135 813 H LEU 106 H LEU 106 6.654 -0.094 14.353 814 HA LEU 106 HA LEU 106 5.793 -2.601 13.305 815 HB2 LEU 106 1HB LEU 106 8.093 -1.785 14.343 816 HB3 LEU 106 2HB LEU 106 7.384 -2.456 15.810 817 HG LEU 106 HG LEU 106 7.903 -3.957 13.244 818 HD11 LEU 106 1HD1 LEU 106 9.921 -4.417 14.035 819 HD12 LEU 106 2HD1 LEU 106 9.238 -4.971 15.564 820 HD13 LEU 106 3HD1 LEU 106 9.638 -3.267 15.343 821 HD21 LEU 106 1HD2 LEU 106 6.273 -5.289 14.005 822 HD22 LEU 106 2HD2 LEU 106 6.281 -4.546 15.605 823 HD23 LEU 106 3HD2 LEU 106 7.456 -5.801 15.209 824 H LYS 107 H LYS 107 4.029 -3.659 13.889 825 HA LYS 107 HA LYS 107 2.416 -2.992 16.086 826 HB2 LYS 107 1HB LYS 107 1.560 -4.143 14.095 827 HB3 LYS 107 2HB LYS 107 2.506 -5.569 14.504 828 HG2 LYS 107 1HG LYS 107 1.117 -6.167 16.226 829 HG3 LYS 107 2HG LYS 107 0.559 -4.514 16.495 830 HD2 LYS 107 1HD LYS 107 -1.280 -5.590 15.530 831 HD3 LYS 107 2HD LYS 107 -0.540 -4.716 14.186 832 HE2 LYS 107 1HE LYS 107 0.414 -6.680 13.302 833 HE3 LYS 107 2HE LYS 107 0.122 -7.585 14.787 834 HZ1 LYS 107 1HZ LYS 107 -1.872 -6.694 12.785 835 HZ2 LYS 107 2HZ LYS 107 -2.308 -7.258 14.319 836 HZ3 LYS 107 3HZ LYS 107 -1.496 -8.279 13.243 837 H GLU 108 H GLU 108 2.340 -3.669 18.152 838 HA GLU 108 HA GLU 108 4.419 -5.554 19.018 839 HB2 GLU 108 1HB GLU 108 4.125 -4.570 21.256 840 HB3 GLU 108 2HB GLU 108 4.556 -3.360 20.056 841 HG2 GLU 108 1HG GLU 108 2.898 -2.239 21.107 842 HG3 GLU 108 2HG GLU 108 1.928 -3.099 19.912 843 H ARG 109 H ARG 109 2.210 -6.710 17.862 844 HA ARG 109 HA ARG 109 0.719 -7.782 20.166 845 HB2 ARG 109 1HB ARG 109 -0.080 -7.526 17.266 846 HB3 ARG 109 2HB ARG 109 -0.987 -8.472 18.439 847 HG2 ARG 109 1HG ARG 109 -0.390 -5.572 18.897 848 HG3 ARG 109 2HG ARG 109 -1.777 -6.096 17.940 849 HD2 ARG 109 1HD ARG 109 -1.222 -7.002 20.760 850 HD3 ARG 109 2HD ARG 109 -2.286 -5.659 20.344 851 HE ARG 109 HE ARG 109 -3.139 -7.877 18.899 852 HH11 ARG 109 2HH1 ARG 109 -2.870 -6.876 22.223 853 HH12 ARG 109 1HH1 ARG 109 -4.211 -7.833 22.756 854 HH21 ARG 109 2HH2 ARG 109 -4.908 -9.142 19.589 855 HH22 ARG 109 1HH2 ARG 109 -5.369 -9.122 21.258 856 H SER 110 H SER 110 0.228 -10.052 20.153 857 HA SER 110 HA SER 110 2.452 -11.637 19.285 858 HB2 SER 110 1HB SER 110 1.110 -11.958 21.433 859 HB3 SER 110 2HB SER 110 -0.140 -12.686 20.424 860 HG SER 110 HG SER 110 2.523 -13.586 20.271 861 H GLY 111 H GLY 111 1.925 -13.863 18.261 862 HA2 GLY 111 1HA GLY 111 0.533 -15.067 16.691 863 HA3 GLY 111 2HA GLY 111 -0.042 -13.519 16.091 864 HA PRO 112 HA PRO 112 4.467 -14.141 14.407 865 HB2 PRO 112 1HB PRO 112 5.447 -16.667 14.586 866 HB3 PRO 112 2HB PRO 112 5.703 -15.446 15.838 867 HG2 PRO 112 1HG PRO 112 3.704 -17.672 15.745 868 HG3 PRO 112 2HG PRO 112 4.701 -17.119 17.104 869 HD2 PRO 112 1HD PRO 112 2.094 -16.436 16.836 870 HD3 PRO 112 2HD PRO 112 3.291 -15.360 17.585 871 H SER 113 H SER 113 5.391 -15.569 12.543 872 HA SER 113 HA SER 113 3.537 -17.279 11.186 873 HB2 SER 113 1HB SER 113 2.985 -15.899 9.325 874 HB3 SER 113 2HB SER 113 2.646 -14.933 10.761 875 HG SER 113 HG SER 113 3.805 -13.589 9.522 876 H SER 114 H SER 114 4.409 -18.158 9.213 877 HA SER 114 HA SER 114 7.018 -17.475 8.298 878 HB2 SER 114 1HB SER 114 7.657 -18.587 10.399 879 HB3 SER 114 2HB SER 114 6.758 -20.025 9.913 880 HG SER 114 HG SER 114 9.261 -19.394 9.330 881 H GLY 115 H GLY 115 7.782 -18.957 6.594 882 HA2 GLY 115 1HA GLY 115 6.310 -21.110 5.597 883 HA3 GLY 115 2HA GLY 115 5.684 -19.654 4.837
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