NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
533813 | 2kyg | 16954 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -7 1HT GLY -7 -30.259 14.720 -14.473 2 H2 GLY -7 2HT GLY -7 -29.424 14.548 -15.933 3 H3 GLY -7 3HT GLY -7 -29.586 16.076 -15.227 4 HA2 GLY -7 1HA GLY -7 -27.394 15.407 -14.763 5 HA3 GLY -7 2HA GLY -7 -28.308 15.222 -13.274 6 H ALA -6 H ALA -6 -28.876 13.128 -12.562 7 HA ALA -6 HA ALA -6 -26.911 11.171 -12.912 8 HB1 ALA -6 1HB ALA -6 -29.716 10.653 -11.947 9 HB2 ALA -6 2HB ALA -6 -28.473 11.418 -10.959 10 HB3 ALA -6 3HB ALA -6 -28.248 9.767 -11.532 11 H MET -5 H MET -5 -27.969 8.747 -13.330 12 HA MET -5 HA MET -5 -29.365 8.792 -15.909 13 HB2 MET -5 2HB MET -5 -27.757 7.139 -16.826 14 HB3 MET -5 1HB MET -5 -27.034 8.714 -16.526 15 HG2 MET -5 2HG MET -5 -26.198 7.786 -14.339 16 HG3 MET -5 1HG MET -5 -26.717 6.202 -14.909 17 HE1 MET -5 3HE MET -5 -23.585 8.632 -14.901 18 HE2 MET -5 1HE MET -5 -24.864 9.358 -15.874 19 HE3 MET -5 2HE MET -5 -23.376 8.808 -16.644 20 H GLY -4 H GLY -4 -28.052 6.784 -13.284 21 HA2 GLY -4 2HA GLY -4 -30.396 5.514 -12.603 22 HA3 GLY -4 1HA GLY -4 -29.713 4.535 -13.893 23 H SER -3 H SER -3 -30.118 3.524 -11.345 24 HA SER -3 HA SER -3 -27.728 3.654 -9.778 25 HB2 SER -3 2HB SER -3 -30.056 1.721 -9.706 26 HB3 SER -3 1HB SER -3 -28.761 1.775 -8.509 27 HG SER -3 HG SER -3 -29.470 3.705 -7.802 28 H MET -2 H MET -2 -28.399 2.142 -12.682 29 HA MET -2 HA MET -2 -27.298 -0.384 -12.499 30 HB2 MET -2 2HB MET -2 -28.411 0.624 -14.507 31 HB3 MET -2 1HB MET -2 -26.926 1.511 -14.823 32 HG2 MET -2 2HG MET -2 -26.933 -0.396 -16.227 33 HG3 MET -2 1HG MET -2 -25.738 -0.677 -14.961 34 HE1 MET -2 3HE MET -2 -26.673 -4.295 -15.000 35 HE2 MET -2 1HE MET -2 -25.591 -3.212 -14.124 36 HE3 MET -2 2HE MET -2 -25.749 -3.072 -15.874 37 H SER -1 H SER -1 -25.708 2.704 -12.413 38 HA SER -1 HA SER -1 -23.259 1.533 -11.550 39 HB2 SER -1 2HB SER -1 -21.841 2.375 -13.409 40 HB3 SER -1 1HB SER -1 -22.951 1.104 -13.925 41 HG SER -1 HG SER -1 -22.988 2.807 -15.403 42 H HIS 2 H HIS 2 -22.558 2.903 -10.053 43 HA HIS 2 HA HIS 2 -22.426 5.755 -10.596 44 HB2 HIS 2 2HB HIS 2 -24.708 5.122 -9.515 45 HB3 HIS 2 1HB HIS 2 -23.772 4.901 -8.041 46 HD1 HIS 2 1HD HIS 2 -25.900 7.269 -9.245 47 HD2 HIS 2 2HD HIS 2 -21.941 7.528 -8.010 48 HE1 HIS 2 1HE HIS 2 -25.536 9.685 -8.654 49 HE2 HIS 2 2HE HIS 2 -23.103 9.839 -8.028 50 H ILE 3 H ILE 3 -20.290 5.929 -10.321 51 HA ILE 3 HA ILE 3 -19.135 5.065 -7.741 52 HB ILE 3 HB ILE 3 -17.628 5.161 -10.359 53 HG12 ILE 3 2HG1 ILE 3 -18.592 2.674 -8.935 54 HG13 ILE 3 1HG1 ILE 3 -19.447 3.394 -10.295 55 HG21 ILE 3 1HG2 ILE 3 -16.920 3.921 -7.705 56 HG22 ILE 3 2HG2 ILE 3 -16.305 5.457 -8.311 57 HG23 ILE 3 3HG2 ILE 3 -15.909 3.960 -9.149 58 HD11 ILE 3 3HD1 ILE 3 -16.578 2.810 -10.694 59 HD12 ILE 3 1HD1 ILE 3 -17.941 2.660 -11.804 60 HD13 ILE 3 2HD1 ILE 3 -17.673 1.434 -10.567 61 H GLN 4 H GLN 4 -18.576 7.166 -10.538 62 HA GLN 4 HA GLN 4 -17.470 9.144 -10.758 63 HB2 GLN 4 2HB GLN 4 -18.725 10.937 -9.924 64 HB3 GLN 4 1HB GLN 4 -19.871 9.616 -10.084 65 HG2 GLN 4 2HG GLN 4 -19.548 9.180 -7.630 66 HG3 GLN 4 1HG GLN 4 -18.637 10.686 -7.562 67 HE21 GLN 4 1HE2 GLN 4 -20.984 10.165 -6.112 68 HE22 GLN 4 2HE2 GLN 4 -22.207 11.254 -6.661 69 H ILE 5 H ILE 5 -15.470 9.763 -10.287 70 HA ILE 5 HA ILE 5 -13.990 9.088 -8.079 71 HB ILE 5 HB ILE 5 -13.707 11.620 -9.709 72 HG12 ILE 5 2HG1 ILE 5 -13.577 9.661 -11.130 73 HG13 ILE 5 1HG1 ILE 5 -11.958 10.315 -10.918 74 HG21 ILE 5 1HG2 ILE 5 -12.438 11.939 -7.741 75 HG22 ILE 5 2HG2 ILE 5 -11.290 11.436 -8.980 76 HG23 ILE 5 3HG2 ILE 5 -11.842 10.280 -7.767 77 HD11 ILE 5 3HD1 ILE 5 -11.740 8.576 -9.036 78 HD12 ILE 5 1HD1 ILE 5 -11.655 8.035 -10.712 79 HD13 ILE 5 2HD1 ILE 5 -13.142 7.818 -9.790 80 HA PRO 6 HA PRO 6 -16.395 11.442 -4.992 81 HB2 PRO 6 2HB PRO 6 -14.211 10.366 -3.266 82 HB3 PRO 6 1HB PRO 6 -15.958 10.358 -3.006 83 HG2 PRO 6 2HG PRO 6 -14.688 8.139 -3.742 84 HG3 PRO 6 1HG PRO 6 -16.291 8.531 -4.396 85 HD2 PRO 6 2HD PRO 6 -13.604 8.771 -5.686 86 HD3 PRO 6 1HD PRO 6 -15.158 8.291 -6.392 87 HA PRO 7 HA PRO 7 -13.755 15.016 -4.689 88 HB2 PRO 7 2HB PRO 7 -15.130 16.527 -2.979 89 HB3 PRO 7 1HB PRO 7 -15.820 16.093 -4.549 90 HG2 PRO 7 2HG PRO 7 -16.322 14.858 -1.863 91 HG3 PRO 7 1HG PRO 7 -17.495 15.335 -3.105 92 HD2 PRO 7 2HD PRO 7 -16.588 12.763 -2.781 93 HD3 PRO 7 1HD PRO 7 -17.166 13.420 -4.326 94 H GLY 8 H GLY 8 -12.271 16.101 -3.298 95 HA2 GLY 8 2HA GLY 8 -11.030 16.450 -1.372 96 HA3 GLY 8 1HA GLY 8 -12.065 15.320 -0.520 97 H LEU 9 H LEU 9 -11.498 13.330 -2.797 98 HA LEU 9 HA LEU 9 -9.512 11.871 -1.487 99 HB2 LEU 9 2HB LEU 9 -11.141 11.564 -3.843 100 HB3 LEU 9 1HB LEU 9 -9.504 11.068 -4.212 101 HG LEU 9 HG LEU 9 -11.042 9.994 -1.851 102 HD11 LEU 9 1HD1 LEU 9 -12.177 9.502 -4.016 103 HD12 LEU 9 2HD1 LEU 9 -11.610 8.072 -3.153 104 HD13 LEU 9 3HD1 LEU 9 -10.707 8.680 -4.542 105 HD21 LEU 9 3HD2 LEU 9 -8.522 9.861 -1.884 106 HD22 LEU 9 1HD2 LEU 9 -8.677 8.819 -3.297 107 HD23 LEU 9 2HD2 LEU 9 -9.366 8.320 -1.753 108 H THR 10 H THR 10 -9.294 14.323 -3.942 109 HA THR 10 HA THR 10 -6.671 13.755 -4.825 110 HB THR 10 HB THR 10 -7.106 16.527 -5.144 111 HG1 THR 10 1HG THR 10 -9.227 16.337 -4.521 112 HG21 THR 10 3HG2 THR 10 -7.395 16.067 -7.437 113 HG22 THR 10 1HG2 THR 10 -7.926 14.415 -7.113 114 HG23 THR 10 2HG2 THR 10 -6.246 14.873 -6.828 115 H GLU 11 H GLU 11 -7.876 16.069 -2.395 116 HA GLU 11 HA GLU 11 -5.299 17.070 -1.764 117 HB2 GLU 11 2HB GLU 11 -6.378 18.055 0.224 118 HB3 GLU 11 1HB GLU 11 -7.258 18.387 -1.260 119 HG2 GLU 11 2HG GLU 11 -8.956 16.861 -0.717 120 HG3 GLU 11 1HG GLU 11 -8.008 16.135 0.576 121 H LEU 12 H LEU 12 -7.155 14.337 -0.573 122 HA LEU 12 HA LEU 12 -5.625 13.903 1.771 123 HB2 LEU 12 2HB LEU 12 -7.781 12.561 0.366 124 HB3 LEU 12 1HB LEU 12 -6.608 11.404 0.964 125 HG LEU 12 HG LEU 12 -8.425 11.726 2.556 126 HD11 LEU 12 1HD1 LEU 12 -7.127 11.796 4.462 127 HD12 LEU 12 2HD1 LEU 12 -6.061 13.047 3.827 128 HD13 LEU 12 3HD1 LEU 12 -5.935 11.394 3.226 129 HD21 LEU 12 3HD2 LEU 12 -8.967 13.776 3.556 130 HD22 LEU 12 1HD2 LEU 12 -8.810 14.146 1.839 131 HD23 LEU 12 2HD2 LEU 12 -7.507 14.559 2.955 132 H LEU 13 H LEU 13 -5.416 12.505 -1.500 133 HA LEU 13 HA LEU 13 -3.206 10.834 -0.826 134 HB2 LEU 13 2HB LEU 13 -4.208 11.710 -3.533 135 HB3 LEU 13 1HB LEU 13 -3.078 10.405 -3.236 136 HG LEU 13 HG LEU 13 -5.927 10.443 -2.237 137 HD11 LEU 13 1HD1 LEU 13 -6.475 8.941 -4.023 138 HD12 LEU 13 2HD1 LEU 13 -4.802 8.914 -4.577 139 HD13 LEU 13 3HD1 LEU 13 -5.754 10.391 -4.721 140 HD21 LEU 13 3HD2 LEU 13 -3.756 8.367 -2.222 141 HD22 LEU 13 1HD2 LEU 13 -5.458 7.971 -1.994 142 HD23 LEU 13 2HD2 LEU 13 -4.639 9.033 -0.851 143 H GLN 14 H GLN 14 -3.557 14.091 -2.095 144 HA GLN 14 HA GLN 14 -0.977 14.474 -3.106 145 HB2 GLN 14 2HB GLN 14 -3.239 16.159 -2.392 146 HB3 GLN 14 1HB GLN 14 -1.732 16.923 -1.920 147 HG2 GLN 14 2HG GLN 14 -1.220 16.052 -4.493 148 HG3 GLN 14 1HG GLN 14 -2.900 16.567 -4.562 149 HE21 GLN 14 1HE2 GLN 14 -2.643 18.645 -2.584 150 HE22 GLN 14 2HE2 GLN 14 -1.710 19.911 -3.297 151 H GLY 15 H GLY 15 -2.267 15.010 0.139 152 HA2 GLY 15 2HA GLY 15 -0.023 16.075 1.377 153 HA3 GLY 15 1HA GLY 15 -1.219 15.073 2.189 154 H TYR 16 H TYR 16 -0.900 12.650 0.999 155 HA TYR 16 HA TYR 16 1.474 11.698 2.260 156 HB2 TYR 16 2HB TYR 16 -0.531 10.303 2.158 157 HB3 TYR 16 1HB TYR 16 -0.444 10.276 0.399 158 HD1 TYR 16 2HD TYR 16 1.856 9.612 3.264 159 HD2 TYR 16 1HD TYR 16 0.387 8.295 -0.503 160 HE1 TYR 16 2HE TYR 16 3.307 7.639 3.394 161 HE2 TYR 16 1HE TYR 16 1.848 6.315 -0.380 162 HH TYR 16 HH TYR 16 3.041 5.003 1.181 163 H THR 17 H THR 17 0.443 11.940 -1.127 164 HA THR 17 HA THR 17 2.703 10.857 -2.313 165 HB THR 17 HB THR 17 1.054 13.092 -3.494 166 HG1 THR 17 1HG THR 17 -0.325 11.431 -4.208 167 HG21 THR 17 3HG2 THR 17 1.385 11.588 -5.556 168 HG22 THR 17 1HG2 THR 17 2.743 10.917 -4.655 169 HG23 THR 17 2HG2 THR 17 2.708 12.638 -5.049 170 H VAL 18 H VAL 18 1.998 14.352 -1.978 171 HA VAL 18 HA VAL 18 4.416 15.304 -2.921 172 HB VAL 18 HB VAL 18 2.304 16.616 -2.315 173 HG11 VAL 18 1HG1 VAL 18 2.057 17.526 -0.160 174 HG12 VAL 18 2HG1 VAL 18 3.659 16.986 0.345 175 HG13 VAL 18 3HG1 VAL 18 2.369 15.809 0.099 176 HG21 VAL 18 3HG2 VAL 18 5.027 17.710 -1.621 177 HG22 VAL 18 1HG2 VAL 18 3.591 18.689 -1.924 178 HG23 VAL 18 2HG2 VAL 18 4.267 17.693 -3.214 179 H GLU 19 H GLU 19 3.673 13.971 0.228 180 HA GLU 19 HA GLU 19 6.061 14.975 1.472 181 HB2 GLU 19 2HB GLU 19 3.849 14.301 2.612 182 HB3 GLU 19 1HB GLU 19 4.449 12.652 2.501 183 HG2 GLU 19 2HG GLU 19 5.067 13.358 4.632 184 HG3 GLU 19 1HG GLU 19 6.539 13.518 3.677 185 H VAL 20 H VAL 20 5.138 12.021 -0.185 186 HA VAL 20 HA VAL 20 7.291 10.427 0.654 187 HB VAL 20 HB VAL 20 5.090 9.912 -0.820 188 HG11 VAL 20 1HG1 VAL 20 6.114 11.040 -2.814 189 HG12 VAL 20 2HG1 VAL 20 5.571 9.394 -3.084 190 HG13 VAL 20 3HG1 VAL 20 7.285 9.727 -2.870 191 HG21 VAL 20 3HG2 VAL 20 5.812 7.693 -0.962 192 HG22 VAL 20 1HG2 VAL 20 6.713 8.343 0.402 193 HG23 VAL 20 2HG2 VAL 20 7.500 8.153 -1.163 194 H LEU 21 H LEU 21 7.017 12.716 -2.033 195 HA LEU 21 HA LEU 21 9.581 12.043 -3.119 196 HB2 LEU 21 2HB LEU 21 7.920 14.516 -3.591 197 HB3 LEU 21 1HB LEU 21 9.266 13.967 -4.567 198 HG LEU 21 HG LEU 21 7.579 11.776 -4.613 199 HD11 LEU 21 1HD1 LEU 21 5.662 13.879 -5.367 200 HD12 LEU 21 2HD1 LEU 21 5.911 13.678 -3.636 201 HD13 LEU 21 3HD1 LEU 21 5.398 12.309 -4.617 202 HD21 LEU 21 3HD2 LEU 21 8.784 12.560 -6.523 203 HD22 LEU 21 1HD2 LEU 21 7.846 14.054 -6.568 204 HD23 LEU 21 2HD2 LEU 21 7.071 12.514 -6.934 205 H ARG 22 H ARG 22 8.338 14.758 -1.190 206 HA ARG 22 HA ARG 22 10.583 16.326 -1.035 207 HB2 ARG 22 2HB ARG 22 8.260 16.737 -0.073 208 HB3 ARG 22 1HB ARG 22 8.781 15.813 1.326 209 HG2 ARG 22 2HG ARG 22 9.371 17.831 2.129 210 HG3 ARG 22 1HG ARG 22 10.814 17.591 1.143 211 HD2 ARG 22 2HD ARG 22 9.906 19.795 0.747 212 HD3 ARG 22 1HD ARG 22 9.721 18.806 -0.702 213 HE ARG 22 HE ARG 22 7.371 18.525 0.703 214 HH11 ARG 22 1HH1 ARG 22 9.156 21.149 -0.750 215 HH12 ARG 22 2HH1 ARG 22 7.745 22.106 -1.050 216 HH21 ARG 22 1HH2 ARG 22 5.515 19.784 0.307 217 HH22 ARG 22 2HH2 ARG 22 5.680 21.333 -0.450 218 H GLN 23 H GLN 23 9.889 13.377 0.782 219 HA GLN 23 HA GLN 23 12.488 13.626 2.154 220 HB2 GLN 23 2HB GLN 23 10.317 13.331 3.470 221 HB3 GLN 23 1HB GLN 23 10.296 11.683 2.858 222 HG2 GLN 23 2HG GLN 23 11.267 11.596 5.003 223 HG3 GLN 23 1HG GLN 23 12.585 11.395 3.848 224 HE21 GLN 23 1HE2 GLN 23 10.889 13.917 5.670 225 HE22 GLN 23 2HE2 GLN 23 12.295 14.861 6.010 226 H GLN 24 H GLN 24 10.633 11.620 -0.022 227 HA GLN 24 HA GLN 24 11.150 9.764 -1.231 228 HB2 GLN 24 2HB GLN 24 13.811 11.103 -0.896 229 HB3 GLN 24 1HB GLN 24 13.731 9.531 -1.676 230 HG2 GLN 24 2HG GLN 24 12.870 10.372 -3.571 231 HG3 GLN 24 1HG GLN 24 11.791 11.468 -2.715 232 HE21 GLN 24 1HE2 GLN 24 12.233 13.155 -4.125 233 HE22 GLN 24 2HE2 GLN 24 13.737 14.006 -4.105 234 HA PRO 25 HA PRO 25 12.250 7.365 2.592 235 HB2 PRO 25 2HB PRO 25 9.902 6.096 2.940 236 HB3 PRO 25 1HB PRO 25 10.156 7.752 3.504 237 HG2 PRO 25 2HG PRO 25 8.787 6.787 1.021 238 HG3 PRO 25 1HG PRO 25 8.285 8.057 2.153 239 HD2 PRO 25 2HD PRO 25 9.540 8.560 -0.225 240 HD3 PRO 25 1HD PRO 25 9.647 9.630 1.184 241 HA PRO 26 HA PRO 26 12.940 3.622 0.302 242 HB2 PRO 26 2HB PRO 26 13.661 1.926 2.207 243 HB3 PRO 26 1HB PRO 26 14.578 3.417 1.951 244 HG2 PRO 26 2HG PRO 26 12.506 2.806 4.027 245 HG3 PRO 26 1HG PRO 26 14.063 3.636 4.213 246 HD2 PRO 26 2HD PRO 26 11.610 4.908 3.919 247 HD3 PRO 26 1HD PRO 26 13.188 5.648 3.579 248 H ASP 27 H ASP 27 10.322 3.636 2.607 249 HA ASP 27 HA ASP 27 9.192 1.264 1.283 250 HB2 ASP 27 2HB ASP 27 8.166 0.719 3.569 251 HB3 ASP 27 1HB ASP 27 9.882 0.382 3.356 252 H LEU 28 H LEU 28 7.085 1.296 0.839 253 HA LEU 28 HA LEU 28 5.711 3.856 1.095 254 HB2 LEU 28 2HB LEU 28 4.990 1.358 -0.441 255 HB3 LEU 28 1HB LEU 28 4.115 2.877 -0.511 256 HG LEU 28 HG LEU 28 7.027 2.825 -1.224 257 HD11 LEU 28 1HD1 LEU 28 6.409 2.406 -3.571 258 HD12 LEU 28 2HD1 LEU 28 4.767 2.030 -3.053 259 HD13 LEU 28 3HD1 LEU 28 6.109 1.013 -2.532 260 HD21 LEU 28 3HD2 LEU 28 6.482 4.727 -2.536 261 HD22 LEU 28 1HD2 LEU 28 5.703 4.947 -0.968 262 HD23 LEU 28 2HD2 LEU 28 4.754 4.430 -2.361 263 H VAL 29 H VAL 29 5.242 0.431 1.871 264 HA VAL 29 HA VAL 29 2.690 0.636 3.016 265 HB VAL 29 HB VAL 29 4.834 -1.312 3.874 266 HG11 VAL 29 1HG1 VAL 29 1.838 -1.641 3.791 267 HG12 VAL 29 2HG1 VAL 29 2.752 -1.212 5.236 268 HG13 VAL 29 3HG1 VAL 29 3.018 -2.772 4.457 269 HG21 VAL 29 3HG2 VAL 29 3.108 -1.271 1.420 270 HG22 VAL 29 1HG2 VAL 29 3.682 -2.793 2.103 271 HG23 VAL 29 2HG2 VAL 29 4.838 -1.581 1.557 272 H GLU 30 H GLU 30 5.920 0.861 4.470 273 HA GLU 30 HA GLU 30 4.953 1.296 7.119 274 HB2 GLU 30 2HB GLU 30 7.484 0.876 5.895 275 HB3 GLU 30 1HB GLU 30 7.592 2.404 6.752 276 HG2 GLU 30 2HG GLU 30 7.006 1.370 8.817 277 HG3 GLU 30 1HG GLU 30 6.617 -0.147 8.008 278 H PHE 31 H PHE 31 6.479 3.481 4.739 279 HA PHE 31 HA PHE 31 6.154 5.848 6.149 280 HB2 PHE 31 2HB PHE 31 7.509 5.630 4.111 281 HB3 PHE 31 1HB PHE 31 6.041 5.447 3.156 282 HD1 PHE 31 2HD PHE 31 7.545 7.807 5.624 283 HD2 PHE 31 1HD PHE 31 5.233 7.316 2.084 284 HE1 PHE 31 2HE PHE 31 7.438 10.251 5.359 285 HE2 PHE 31 1HE PHE 31 5.126 9.759 1.810 286 HZ PHE 31 HZ PHE 31 6.228 11.229 3.450 287 H ALA 32 H ALA 32 3.789 3.956 4.448 288 HA ALA 32 HA ALA 32 1.847 6.022 4.136 289 HB1 ALA 32 1HB ALA 32 1.650 3.032 3.996 290 HB2 ALA 32 2HB ALA 32 1.690 4.188 2.664 291 HB3 ALA 32 3HB ALA 32 0.280 4.110 3.723 292 H VAL 33 H VAL 33 2.103 3.295 6.429 293 HA VAL 33 HA VAL 33 -0.159 4.163 7.944 294 HB VAL 33 HB VAL 33 0.764 1.794 7.879 295 HG11 VAL 33 1HG1 VAL 33 3.123 2.382 8.276 296 HG12 VAL 33 2HG1 VAL 33 2.516 1.177 9.406 297 HG13 VAL 33 3HG1 VAL 33 2.707 2.851 9.923 298 HG21 VAL 33 3HG2 VAL 33 -0.947 2.601 9.474 299 HG22 VAL 33 1HG2 VAL 33 0.346 2.944 10.625 300 HG23 VAL 33 2HG2 VAL 33 0.049 1.285 10.107 301 H GLU 34 H GLU 34 3.267 4.858 7.971 302 HA GLU 34 HA GLU 34 3.322 6.009 10.579 303 HB2 GLU 34 2HB GLU 34 5.148 6.269 8.191 304 HB3 GLU 34 1HB GLU 34 5.460 7.089 9.713 305 HG2 GLU 34 2HG GLU 34 5.097 4.114 9.521 306 HG3 GLU 34 1HG GLU 34 6.664 4.901 9.330 307 H TYR 35 H TYR 35 2.758 7.251 7.335 308 HA TYR 35 HA TYR 35 2.635 10.001 8.166 309 HB2 TYR 35 2HB TYR 35 3.386 9.442 5.922 310 HB3 TYR 35 1HB TYR 35 1.840 8.675 5.570 311 HD1 TYR 35 1HD TYR 35 -0.242 10.124 5.533 312 HD2 TYR 35 2HD TYR 35 3.685 11.758 5.571 313 HE1 TYR 35 1HE TYR 35 -1.128 12.260 4.700 314 HE2 TYR 35 2HE TYR 35 2.809 13.901 4.735 315 HH TYR 35 HH TYR 35 0.988 14.899 3.762 316 H PHE 36 H PHE 36 0.214 7.548 7.241 317 HA PHE 36 HA PHE 36 -1.979 9.336 7.464 318 HB2 PHE 36 2HB PHE 36 -1.629 6.427 7.010 319 HB3 PHE 36 1HB PHE 36 -3.182 6.929 7.657 320 HD1 PHE 36 1HD PHE 36 -0.916 7.147 4.783 321 HD2 PHE 36 2HD PHE 36 -4.725 8.226 6.347 322 HE1 PHE 36 1HE PHE 36 -1.656 7.794 2.528 323 HE2 PHE 36 2HE PHE 36 -5.471 8.872 4.095 324 HZ PHE 36 HZ PHE 36 -3.937 8.660 2.182 325 H THR 37 H THR 37 -0.846 6.735 9.678 326 HA THR 37 HA THR 37 -2.824 7.081 11.601 327 HB THR 37 HB THR 37 -1.226 6.116 13.225 328 HG1 THR 37 1HG THR 37 0.574 6.545 11.105 329 HG21 THR 37 3HG2 THR 37 -1.171 4.699 10.580 330 HG22 THR 37 1HG2 THR 37 -2.486 4.633 11.752 331 HG23 THR 37 2HG2 THR 37 -0.901 3.988 12.173 332 H ARG 38 H ARG 38 0.401 8.620 11.508 333 HA ARG 38 HA ARG 38 0.161 10.152 13.805 334 HB2 ARG 38 2HB ARG 38 1.755 10.347 11.306 335 HB3 ARG 38 1HB ARG 38 1.639 11.816 12.265 336 HG2 ARG 38 2HG ARG 38 2.636 10.781 14.145 337 HG3 ARG 38 1HG ARG 38 2.491 9.177 13.427 338 HD2 ARG 38 2HD ARG 38 4.780 9.964 13.296 339 HD3 ARG 38 1HD ARG 38 4.093 9.825 11.684 340 HE ARG 38 HE ARG 38 4.755 12.294 13.107 341 HH11 ARG 38 1HH1 ARG 38 3.495 10.792 10.201 342 HH12 ARG 38 2HH1 ARG 38 3.693 12.217 9.244 343 HH21 ARG 38 1HH2 ARG 38 5.011 14.150 11.833 344 HH22 ARG 38 2HH2 ARG 38 4.550 14.118 10.164 345 H LEU 39 H LEU 39 -0.729 11.059 10.476 346 HA LEU 39 HA LEU 39 -1.632 13.607 10.876 347 HB2 LEU 39 2HB LEU 39 -1.581 12.011 8.754 348 HB3 LEU 39 1HB LEU 39 -3.273 11.796 9.154 349 HG LEU 39 HG LEU 39 -3.061 14.511 9.226 350 HD11 LEU 39 1HD1 LEU 39 -1.791 15.274 7.332 351 HD12 LEU 39 2HD1 LEU 39 -1.295 13.624 6.956 352 HD13 LEU 39 3HD1 LEU 39 -0.726 14.400 8.435 353 HD21 LEU 39 3HD2 LEU 39 -3.671 12.832 6.797 354 HD22 LEU 39 1HD2 LEU 39 -4.176 14.501 7.056 355 HD23 LEU 39 2HD2 LEU 39 -4.801 13.221 8.094 356 H ARG 40 H ARG 40 -3.577 10.629 11.162 357 HA ARG 40 HA ARG 40 -5.941 11.849 12.025 358 HB2 ARG 40 2HB ARG 40 -5.261 9.361 11.289 359 HB3 ARG 40 1HB ARG 40 -5.261 9.137 13.031 360 HG2 ARG 40 2HG ARG 40 -7.594 10.210 12.959 361 HG3 ARG 40 1HG ARG 40 -7.527 9.882 11.225 362 HD2 ARG 40 2HD ARG 40 -8.522 7.958 12.013 363 HD3 ARG 40 1HD ARG 40 -6.816 7.497 12.000 364 HE ARG 40 HE ARG 40 -7.480 8.619 14.494 365 HH11 ARG 40 1HH1 ARG 40 -7.999 5.728 12.608 366 HH12 ARG 40 2HH1 ARG 40 -8.206 4.712 13.994 367 HH21 ARG 40 1HH2 ARG 40 -7.756 7.282 16.319 368 HH22 ARG 40 2HH2 ARG 40 -8.069 5.592 16.101 369 H GLU 41 H GLU 41 -3.472 10.152 13.956 370 HA GLU 41 HA GLU 41 -4.496 10.573 16.468 371 HB2 GLU 41 2HB GLU 41 -1.607 10.512 15.590 372 HB3 GLU 41 1HB GLU 41 -2.120 10.443 17.271 373 HG2 GLU 41 2HG GLU 41 -3.005 8.456 15.197 374 HG3 GLU 41 1HG GLU 41 -1.572 8.242 16.202 375 H ALA 42 H ALA 42 -3.024 12.904 14.369 376 HA ALA 42 HA ALA 42 -2.042 14.833 16.030 377 HB1 ALA 42 1HB ALA 42 -3.794 15.453 13.661 378 HB2 ALA 42 2HB ALA 42 -2.125 14.897 13.528 379 HB3 ALA 42 3HB ALA 42 -2.483 16.431 14.321 380 H ARG 43 H ARG 43 -5.387 13.950 15.575 381 HA ARG 43 HA ARG 43 -6.603 16.244 16.648 382 HB2 ARG 43 2HB ARG 43 -8.562 14.809 17.046 383 HB3 ARG 43 1HB ARG 43 -7.901 14.600 15.434 384 HG2 ARG 43 2HG ARG 43 -8.240 12.414 15.972 385 HG3 ARG 43 1HG ARG 43 -6.606 12.604 16.596 386 HD2 ARG 43 2HD ARG 43 -8.071 11.408 18.154 387 HD3 ARG 43 1HD ARG 43 -7.457 12.903 18.843 388 HE ARG 43 HE ARG 43 -9.868 13.611 17.816 389 HH11 ARG 43 1HH1 ARG 43 -8.824 11.131 20.043 390 HH12 ARG 43 2HH1 ARG 43 -10.334 11.086 20.886 391 HH21 ARG 43 1HH2 ARG 43 -11.847 13.553 18.931 392 HH22 ARG 43 2HH2 ARG 43 -12.047 12.459 20.258 393 H ALA 44 H ALA 44 -7.897 16.203 18.719 394 HA ALA 44 HA ALA 44 -7.753 16.471 20.986 395 HB1 ALA 44 1HB ALA 44 -7.966 14.454 22.155 396 HB2 ALA 44 2HB ALA 44 -6.937 13.581 21.020 397 HB3 ALA 44 3HB ALA 44 -8.554 14.090 20.532 398 H1 GLY -7 1HT GLY -7 17.392 20.922 -11.357 399 H2 GLY -7 2HT GLY -7 18.315 21.430 -12.679 400 H3 GLY -7 3HT GLY -7 18.908 20.229 -11.647 401 HA2 GLY -7 1HA GLY -7 16.578 19.141 -12.408 402 HA3 GLY -7 2HA GLY -7 17.043 20.030 -13.850 403 H ALA -6 H ALA -6 17.678 17.303 -11.841 404 HA ALA -6 HA ALA -6 19.125 15.975 -13.893 405 HB1 ALA -6 1HB ALA -6 21.288 15.785 -12.880 406 HB2 ALA -6 2HB ALA -6 20.756 16.684 -11.460 407 HB3 ALA -6 3HB ALA -6 20.892 17.498 -13.019 408 H MET -5 H MET -5 18.898 16.034 -10.332 409 HA MET -5 HA MET -5 18.429 13.136 -10.338 410 HB2 MET -5 2HB MET -5 18.784 13.316 -7.881 411 HB3 MET -5 1HB MET -5 20.168 13.837 -8.831 412 HG2 MET -5 2HG MET -5 19.751 16.111 -8.379 413 HG3 MET -5 1HG MET -5 18.141 15.769 -7.751 414 HE1 MET -5 3HE MET -5 21.939 16.372 -6.378 415 HE2 MET -5 1HE MET -5 21.776 15.030 -7.509 416 HE3 MET -5 2HE MET -5 22.123 14.713 -5.808 417 H GLY -4 H GLY -4 16.392 15.039 -11.206 418 HA2 GLY -4 2HA GLY -4 14.148 13.936 -9.972 419 HA3 GLY -4 1HA GLY -4 14.476 15.465 -9.171 420 H SER -3 H SER -3 13.792 13.981 -12.301 421 HA SER -3 HA SER -3 11.988 16.032 -13.040 422 HB2 SER -3 2HB SER -3 14.794 16.216 -14.059 423 HB3 SER -3 1HB SER -3 13.476 16.641 -15.151 424 HG SER -3 HG SER -3 13.687 17.718 -12.545 425 H MET -2 H MET -2 10.574 14.462 -13.646 426 HA MET -2 HA MET -2 11.194 13.013 -16.110 427 HB2 MET -2 2HB MET -2 10.233 11.710 -13.559 428 HB3 MET -2 1HB MET -2 10.137 10.938 -15.136 429 HG2 MET -2 2HG MET -2 12.694 11.880 -13.862 430 HG3 MET -2 1HG MET -2 12.078 10.232 -13.769 431 HE1 MET -2 3HE MET -2 10.992 9.840 -17.048 432 HE2 MET -2 1HE MET -2 11.506 8.830 -15.697 433 HE3 MET -2 2HE MET -2 12.402 8.795 -17.216 434 H SER -1 H SER -1 9.560 15.301 -15.557 435 HA SER -1 HA SER -1 7.611 16.079 -16.492 436 HB2 SER -1 2HB SER -1 6.321 13.371 -16.527 437 HB3 SER -1 1HB SER -1 6.121 14.723 -17.640 438 HG SER -1 HG SER -1 8.179 14.272 -18.474 439 H HIS 2 H HIS 2 7.617 13.754 -13.886 440 HA HIS 2 HA HIS 2 5.545 15.335 -12.519 441 HB2 HIS 2 2HB HIS 2 4.712 13.248 -11.490 442 HB3 HIS 2 1HB HIS 2 4.521 13.248 -13.241 443 HD1 HIS 2 1HD HIS 2 4.918 10.963 -14.069 444 HD2 HIS 2 2HD HIS 2 7.544 11.959 -11.005 445 HE1 HIS 2 1HE HIS 2 6.434 8.975 -13.809 446 HE2 HIS 2 2HE HIS 2 8.079 9.643 -12.023 447 H ILE 3 H ILE 3 8.540 15.200 -12.526 448 HA ILE 3 HA ILE 3 10.116 15.714 -10.966 449 HB ILE 3 HB ILE 3 7.982 14.974 -8.960 450 HG12 ILE 3 2HG1 ILE 3 8.034 17.181 -10.395 451 HG13 ILE 3 1HG1 ILE 3 7.656 17.254 -8.681 452 HG21 ILE 3 1HG2 ILE 3 9.676 16.101 -7.350 453 HG22 ILE 3 2HG2 ILE 3 10.865 15.586 -8.544 454 HG23 ILE 3 3HG2 ILE 3 9.840 14.395 -7.748 455 HD11 ILE 3 3HD1 ILE 3 10.431 17.677 -9.737 456 HD12 ILE 3 1HD1 ILE 3 9.796 18.070 -8.139 457 HD13 ILE 3 2HD1 ILE 3 9.261 18.984 -9.550 458 H GLN 4 H GLN 4 8.732 13.026 -9.075 459 HA GLN 4 HA GLN 4 10.101 10.943 -10.314 460 HB2 GLN 4 2HB GLN 4 11.950 10.602 -8.610 461 HB3 GLN 4 1HB GLN 4 12.200 11.882 -9.784 462 HG2 GLN 4 2HG GLN 4 11.894 13.559 -8.218 463 HG3 GLN 4 1HG GLN 4 11.022 12.503 -7.108 464 HE21 GLN 4 1HE2 GLN 4 13.931 13.983 -7.730 465 HE22 GLN 4 2HE2 GLN 4 14.943 13.044 -6.694 466 H ILE 5 H ILE 5 7.809 10.433 -9.583 467 HA ILE 5 HA ILE 5 7.307 9.897 -6.846 468 HB ILE 5 HB ILE 5 5.945 9.084 -9.398 469 HG12 ILE 5 2HG1 ILE 5 4.016 10.251 -8.052 470 HG13 ILE 5 1HG1 ILE 5 5.327 10.898 -7.074 471 HG21 ILE 5 1HG2 ILE 5 5.535 7.123 -8.245 472 HG22 ILE 5 2HG2 ILE 5 4.147 8.107 -7.787 473 HG23 ILE 5 3HG2 ILE 5 5.502 7.924 -6.676 474 HD11 ILE 5 3HD1 ILE 5 4.618 12.440 -8.827 475 HD12 ILE 5 1HD1 ILE 5 5.031 11.238 -10.049 476 HD13 ILE 5 2HD1 ILE 5 6.295 11.939 -9.039 477 HA PRO 6 HA PRO 6 10.036 6.297 -6.461 478 HB2 PRO 6 2HB PRO 6 8.042 5.787 -4.282 479 HB3 PRO 6 1HB PRO 6 9.805 5.651 -4.246 480 HG2 PRO 6 2HG PRO 6 8.606 7.758 -3.173 481 HG3 PRO 6 1HG PRO 6 10.109 7.949 -4.093 482 HD2 PRO 6 2HD PRO 6 7.313 8.627 -4.869 483 HD3 PRO 6 1HD PRO 6 8.837 9.420 -5.316 484 HA PRO 7 HA PRO 7 7.452 3.650 -9.118 485 HB2 PRO 7 2HB PRO 7 9.647 1.784 -8.277 486 HB3 PRO 7 1HB PRO 7 8.926 2.023 -9.875 487 HG2 PRO 7 2HG PRO 7 11.280 3.104 -9.292 488 HG3 PRO 7 1HG PRO 7 10.084 4.002 -10.247 489 HD2 PRO 7 2HD PRO 7 10.911 4.378 -7.412 490 HD3 PRO 7 1HD PRO 7 10.341 5.574 -8.594 491 H GLY 8 H GLY 8 5.820 2.272 -8.652 492 HA2 GLY 8 2HA GLY 8 4.799 0.450 -7.535 493 HA3 GLY 8 1HA GLY 8 5.947 0.633 -6.216 494 H LEU 9 H LEU 9 5.472 3.586 -6.166 495 HA LEU 9 HA LEU 9 3.518 3.660 -4.159 496 HB2 LEU 9 2HB LEU 9 5.230 5.373 -4.388 497 HB3 LEU 9 1HB LEU 9 4.535 5.894 -5.908 498 HG LEU 9 HG LEU 9 2.520 5.961 -3.840 499 HD11 LEU 9 1HD1 LEU 9 3.911 6.417 -2.115 500 HD12 LEU 9 2HD1 LEU 9 3.685 8.046 -2.741 501 HD13 LEU 9 3HD1 LEU 9 5.148 7.144 -3.138 502 HD21 LEU 9 3HD2 LEU 9 2.098 8.126 -4.661 503 HD22 LEU 9 1HD2 LEU 9 2.599 7.176 -6.058 504 HD23 LEU 9 2HD2 LEU 9 3.732 8.291 -5.296 505 H THR 10 H THR 10 3.303 4.225 -7.633 506 HA THR 10 HA THR 10 0.762 5.339 -7.752 507 HB THR 10 HB THR 10 1.956 3.395 -9.735 508 HG1 THR 10 1HG THR 10 3.390 5.026 -9.569 509 HG21 THR 10 3HG2 THR 10 -0.302 5.349 -9.919 510 HG22 THR 10 1HG2 THR 10 -0.212 3.678 -10.482 511 HG23 THR 10 2HG2 THR 10 0.664 4.945 -11.339 512 H GLU 11 H GLU 11 1.701 1.921 -7.780 513 HA GLU 11 HA GLU 11 -0.924 0.894 -7.978 514 HB2 GLU 11 2HB GLU 11 1.179 -0.351 -8.521 515 HB3 GLU 11 1HB GLU 11 1.492 -0.476 -6.795 516 HG2 GLU 11 2HG GLU 11 -0.655 -1.682 -6.542 517 HG3 GLU 11 1HG GLU 11 -0.840 -1.645 -8.295 518 H LEU 12 H LEU 12 1.152 1.624 -5.200 519 HA LEU 12 HA LEU 12 -0.419 0.412 -3.225 520 HB2 LEU 12 2HB LEU 12 1.712 2.460 -3.284 521 HB3 LEU 12 1HB LEU 12 0.674 2.504 -1.873 522 HG LEU 12 HG LEU 12 2.685 1.188 -1.460 523 HD11 LEU 12 1HD1 LEU 12 1.659 -0.495 -0.288 524 HD12 LEU 12 2HD1 LEU 12 0.512 -0.854 -1.577 525 HD13 LEU 12 3HD1 LEU 12 0.294 0.581 -0.577 526 HD21 LEU 12 3HD2 LEU 12 3.202 0.403 -3.663 527 HD22 LEU 12 1HD2 LEU 12 1.695 -0.507 -3.746 528 HD23 LEU 12 2HD2 LEU 12 2.960 -0.997 -2.619 529 H LEU 13 H LEU 13 -0.428 3.813 -4.326 530 HA LEU 13 HA LEU 13 -2.577 4.614 -2.681 531 HB2 LEU 13 2HB LEU 13 -1.280 5.705 -5.146 532 HB3 LEU 13 1HB LEU 13 -2.818 6.382 -4.647 533 HG LEU 13 HG LEU 13 -1.898 7.117 -2.552 534 HD11 LEU 13 1HD1 LEU 13 0.421 5.409 -3.329 535 HD12 LEU 13 2HD1 LEU 13 -0.426 5.526 -1.789 536 HD13 LEU 13 3HD1 LEU 13 0.676 6.808 -2.287 537 HD21 LEU 13 3HD2 LEU 13 -0.190 7.776 -4.943 538 HD22 LEU 13 1HD2 LEU 13 -0.042 8.612 -3.396 539 HD23 LEU 13 2HD2 LEU 13 -1.556 8.683 -4.296 540 H GLN 14 H GLN 14 -2.380 3.138 -5.842 541 HA GLN 14 HA GLN 14 -5.111 3.457 -6.559 542 HB2 GLN 14 2HB GLN 14 -3.134 2.889 -8.087 543 HB3 GLN 14 1HB GLN 14 -3.324 1.234 -7.529 544 HG2 GLN 14 2HG GLN 14 -5.883 1.901 -8.270 545 HG3 GLN 14 1HG GLN 14 -4.906 2.767 -9.452 546 HE21 GLN 14 1HE2 GLN 14 -2.765 0.950 -9.603 547 HE22 GLN 14 2HE2 GLN 14 -3.332 -0.486 -10.378 548 H GLY 15 H GLY 15 -3.292 0.773 -5.105 549 HA2 GLY 15 2HA GLY 15 -5.280 -1.145 -4.975 550 HA3 GLY 15 1HA GLY 15 -3.987 -0.983 -3.798 551 H TYR 16 H TYR 16 -4.764 1.617 -2.870 552 HA TYR 16 HA TYR 16 -6.794 0.815 -0.987 553 HB2 TYR 16 2HB TYR 16 -4.941 2.070 -0.135 554 HB3 TYR 16 1HB TYR 16 -5.178 3.344 -1.324 555 HD1 TYR 16 1HD TYR 16 -6.926 1.664 1.509 556 HD2 TYR 16 2HD TYR 16 -6.381 5.247 -0.716 557 HE1 TYR 16 1HE TYR 16 -8.337 2.865 3.124 558 HE2 TYR 16 2HE TYR 16 -7.792 6.463 0.888 559 HH TYR 16 HH TYR 16 -8.500 6.222 3.272 560 H THR 17 H THR 17 -6.474 3.334 -3.472 561 HA THR 17 HA THR 17 -8.904 4.610 -3.131 562 HB THR 17 HB THR 17 -7.562 4.157 -5.794 563 HG1 THR 17 1HG THR 17 -6.945 5.994 -3.732 564 HG21 THR 17 3HG2 THR 17 -9.843 5.466 -5.460 565 HG22 THR 17 1HG2 THR 17 -8.601 6.015 -6.585 566 HG23 THR 17 2HG2 THR 17 -8.733 6.755 -4.990 567 H VAL 18 H VAL 18 -8.205 1.818 -5.251 568 HA VAL 18 HA VAL 18 -10.673 1.556 -6.475 569 HB VAL 18 HB VAL 18 -10.221 -0.861 -6.670 570 HG11 VAL 18 1HG1 VAL 18 -7.960 1.042 -7.206 571 HG12 VAL 18 2HG1 VAL 18 -9.172 0.422 -8.326 572 HG13 VAL 18 3HG1 VAL 18 -7.906 -0.643 -7.719 573 HG21 VAL 18 3HG2 VAL 18 -8.099 -0.247 -4.642 574 HG22 VAL 18 1HG2 VAL 18 -7.987 -1.651 -5.699 575 HG23 VAL 18 2HG2 VAL 18 -9.347 -1.491 -4.587 576 H GLU 19 H GLU 19 -9.722 0.741 -3.230 577 HA GLU 19 HA GLU 19 -12.067 -0.788 -2.599 578 HB2 GLU 19 2HB GLU 19 -9.726 -0.866 -1.485 579 HB3 GLU 19 1HB GLU 19 -10.280 0.523 -0.563 580 HG2 GLU 19 2HG GLU 19 -12.219 -0.847 0.192 581 HG3 GLU 19 1HG GLU 19 -11.484 -2.231 -0.612 582 H VAL 20 H VAL 20 -10.982 2.532 -2.052 583 HA VAL 20 HA VAL 20 -13.101 3.394 -0.438 584 HB VAL 20 HB VAL 20 -11.541 5.042 -2.439 585 HG11 VAL 20 1HG1 VAL 20 -12.112 6.950 -1.090 586 HG12 VAL 20 2HG1 VAL 20 -12.961 5.929 0.067 587 HG13 VAL 20 3HG1 VAL 20 -13.595 6.127 -1.568 588 HG21 VAL 20 3HG2 VAL 20 -10.919 4.165 0.364 589 HG22 VAL 20 1HG2 VAL 20 -10.226 5.644 -0.308 590 HG23 VAL 20 2HG2 VAL 20 -9.904 4.091 -1.076 591 H LEU 21 H LEU 21 -12.688 3.512 -3.950 592 HA LEU 21 HA LEU 21 -15.035 4.833 -4.619 593 HB2 LEU 21 2HB LEU 21 -13.421 2.771 -6.102 594 HB3 LEU 21 1HB LEU 21 -14.786 3.596 -6.828 595 HG LEU 21 HG LEU 21 -12.577 5.226 -5.636 596 HD11 LEU 21 1HD1 LEU 21 -11.581 5.214 -7.998 597 HD12 LEU 21 2HD1 LEU 21 -12.454 3.698 -8.213 598 HD13 LEU 21 3HD1 LEU 21 -11.237 3.843 -6.944 599 HD21 LEU 21 3HD2 LEU 21 -13.345 6.909 -7.020 600 HD22 LEU 21 1HD2 LEU 21 -14.838 6.067 -6.610 601 HD23 LEU 21 2HD2 LEU 21 -14.066 5.786 -8.170 602 H ARG 22 H ARG 22 -14.472 1.324 -4.405 603 HA ARG 22 HA ARG 22 -17.256 0.751 -4.921 604 HB2 ARG 22 2HB ARG 22 -15.658 -0.715 -5.891 605 HB3 ARG 22 1HB ARG 22 -14.855 -0.974 -4.352 606 HG2 ARG 22 2HG ARG 22 -17.700 -1.756 -4.428 607 HG3 ARG 22 1HG ARG 22 -16.627 -2.694 -5.467 608 HD2 ARG 22 2HD ARG 22 -16.269 -2.231 -2.507 609 HD3 ARG 22 1HD ARG 22 -16.841 -3.718 -3.259 610 HE ARG 22 HE ARG 22 -14.125 -2.792 -3.078 611 HH11 ARG 22 1HH1 ARG 22 -16.329 -4.811 -4.892 612 HH12 ARG 22 2HH1 ARG 22 -15.079 -5.855 -5.479 613 HH21 ARG 22 1HH2 ARG 22 -12.487 -4.168 -3.859 614 HH22 ARG 22 2HH2 ARG 22 -12.903 -5.490 -4.896 615 H GLN 23 H GLN 23 -15.292 1.151 -2.071 616 HA GLN 23 HA GLN 23 -17.280 -0.235 -0.414 617 HB2 GLN 23 2HB GLN 23 -14.779 -0.583 -0.118 618 HB3 GLN 23 1HB GLN 23 -14.720 1.053 0.526 619 HG2 GLN 23 2HG GLN 23 -14.824 -0.441 2.363 620 HG3 GLN 23 1HG GLN 23 -16.390 0.360 2.241 621 HE21 GLN 23 1HE2 GLN 23 -14.676 -2.586 1.296 622 HE22 GLN 23 2HE2 GLN 23 -16.051 -3.628 1.394 623 H GLN 24 H GLN 24 -15.731 2.925 -0.746 624 HA GLN 24 HA GLN 24 -16.330 4.995 -0.076 625 HB2 GLN 24 2HB GLN 24 -19.132 3.866 -0.028 626 HB3 GLN 24 1HB GLN 24 -18.695 5.568 -0.117 627 HG2 GLN 24 2HG GLN 24 -17.888 3.576 -2.213 628 HG3 GLN 24 1HG GLN 24 -19.409 4.463 -2.273 629 HE21 GLN 24 1HE2 GLN 24 -17.934 4.854 -4.366 630 HE22 GLN 24 2HE2 GLN 24 -17.102 6.368 -4.332 631 HA PRO 25 HA PRO 25 -16.665 3.881 4.370 632 HB2 PRO 25 2HB PRO 25 -14.317 4.777 5.208 633 HB3 PRO 25 1HB PRO 25 -14.404 3.305 4.230 634 HG2 PRO 25 2HG PRO 25 -13.694 6.093 3.392 635 HG3 PRO 25 1HG PRO 25 -12.914 4.565 2.953 636 HD2 PRO 25 2HD PRO 25 -14.791 5.896 1.395 637 HD3 PRO 25 1HD PRO 25 -14.399 4.171 1.256 638 HA PRO 26 HA PRO 26 -17.917 7.824 5.946 639 HB2 PRO 26 2HB PRO 26 -16.770 7.306 8.595 640 HB3 PRO 26 1HB PRO 26 -18.466 7.379 8.111 641 HG2 PRO 26 2HG PRO 26 -17.258 5.067 8.826 642 HG3 PRO 26 1HG PRO 26 -18.562 5.132 7.626 643 HD2 PRO 26 2HD PRO 26 -15.600 4.936 7.197 644 HD3 PRO 26 1HD PRO 26 -16.920 4.079 6.375 645 H ASP 27 H ASP 27 -14.626 6.854 6.856 646 HA ASP 27 HA ASP 27 -13.743 9.621 6.385 647 HB2 ASP 27 2HB ASP 27 -13.931 8.790 8.901 648 HB3 ASP 27 1HB ASP 27 -12.391 8.025 8.529 649 H LEU 28 H LEU 28 -11.969 9.813 5.161 650 HA LEU 28 HA LEU 28 -10.954 7.496 3.846 651 HB2 LEU 28 2HB LEU 28 -9.947 10.338 3.767 652 HB3 LEU 28 1HB LEU 28 -9.500 9.063 2.649 653 HG LEU 28 HG LEU 28 -12.327 10.074 2.963 654 HD11 LEU 28 1HD1 LEU 28 -10.986 11.913 2.189 655 HD12 LEU 28 2HD1 LEU 28 -11.917 11.273 0.835 656 HD13 LEU 28 3HD1 LEU 28 -10.203 10.888 0.986 657 HD21 LEU 28 3HD2 LEU 28 -12.531 9.014 0.685 658 HD22 LEU 28 1HD2 LEU 28 -12.312 7.894 2.028 659 HD23 LEU 28 2HD2 LEU 28 -10.954 8.280 0.972 660 H VAL 29 H VAL 29 -9.622 9.775 6.210 661 HA VAL 29 HA VAL 29 -7.035 8.682 6.305 662 HB VAL 29 HB VAL 29 -7.536 10.898 7.207 663 HG11 VAL 29 1HG1 VAL 29 -8.674 11.214 9.308 664 HG12 VAL 29 2HG1 VAL 29 -8.917 9.479 9.478 665 HG13 VAL 29 3HG1 VAL 29 -9.734 10.359 8.191 666 HG21 VAL 29 3HG2 VAL 29 -5.536 9.702 7.972 667 HG22 VAL 29 1HG2 VAL 29 -6.456 9.033 9.319 668 HG23 VAL 29 2HG2 VAL 29 -6.177 10.770 9.220 669 H GLU 30 H GLU 30 -9.917 7.986 8.278 670 HA GLU 30 HA GLU 30 -8.582 6.114 9.969 671 HB2 GLU 30 2HB GLU 30 -10.821 7.407 10.337 672 HB3 GLU 30 1HB GLU 30 -11.552 6.065 9.466 673 HG2 GLU 30 2HG GLU 30 -10.456 4.537 11.146 674 HG3 GLU 30 1HG GLU 30 -10.061 5.984 12.073 675 H PHE 31 H PHE 31 -10.339 5.861 6.928 676 HA PHE 31 HA PHE 31 -10.506 3.009 6.953 677 HB2 PHE 31 2HB PHE 31 -11.980 4.534 5.612 678 HB3 PHE 31 1HB PHE 31 -10.611 4.833 4.550 679 HD1 PHE 31 2HD PHE 31 -12.456 1.959 6.041 680 HD2 PHE 31 1HD PHE 31 -10.486 3.565 2.628 681 HE1 PHE 31 2HE PHE 31 -13.064 -0.047 4.755 682 HE2 PHE 31 1HE PHE 31 -11.092 1.560 1.335 683 HZ PHE 31 HZ PHE 31 -12.385 -0.247 2.400 684 H ALA 32 H ALA 32 -8.098 5.316 5.946 685 HA ALA 32 HA ALA 32 -6.552 3.452 4.395 686 HB1 ALA 32 1HB ALA 32 -6.456 5.787 3.837 687 HB2 ALA 32 2HB ALA 32 -4.860 5.253 4.367 688 HB3 ALA 32 3HB ALA 32 -5.884 6.188 5.456 689 H VAL 33 H VAL 33 -6.081 5.032 7.539 690 HA VAL 33 HA VAL 33 -3.703 3.936 8.313 691 HB VAL 33 HB VAL 33 -4.581 4.022 10.687 692 HG11 VAL 33 1HG1 VAL 33 -4.936 6.437 8.939 693 HG12 VAL 33 2HG1 VAL 33 -3.442 5.905 9.709 694 HG13 VAL 33 3HG1 VAL 33 -4.793 6.469 10.695 695 HG21 VAL 33 3HG2 VAL 33 -6.867 3.521 10.404 696 HG22 VAL 33 1HG2 VAL 33 -7.069 4.839 9.261 697 HG23 VAL 33 2HG2 VAL 33 -6.765 5.190 10.955 698 H GLU 34 H GLU 34 -6.894 2.397 8.580 699 HA GLU 34 HA GLU 34 -5.887 0.034 9.833 700 HB2 GLU 34 2HB GLU 34 -8.500 0.608 8.428 701 HB3 GLU 34 1HB GLU 34 -8.145 -0.903 9.257 702 HG2 GLU 34 2HG GLU 34 -7.691 0.534 11.315 703 HG3 GLU 34 1HG GLU 34 -8.479 1.836 10.426 704 H TYR 35 H TYR 35 -6.541 1.009 6.528 705 HA TYR 35 HA TYR 35 -6.312 -1.537 5.328 706 HB2 TYR 35 2HB TYR 35 -7.351 0.301 4.141 707 HB3 TYR 35 1HB TYR 35 -5.860 1.231 4.199 708 HD1 TYR 35 1HD TYR 35 -3.842 0.342 2.921 709 HD2 TYR 35 2HD TYR 35 -7.782 -1.158 2.336 710 HE1 TYR 35 1HE TYR 35 -3.165 -0.574 0.742 711 HE2 TYR 35 2HE TYR 35 -7.114 -2.077 0.154 712 HH TYR 35 HH TYR 35 -5.448 -1.819 -1.521 713 H PHE 36 H PHE 36 -3.892 0.973 6.056 714 HA PHE 36 HA PHE 36 -1.803 -0.458 4.698 715 HB2 PHE 36 2HB PHE 36 -1.893 2.003 6.416 716 HB3 PHE 36 1HB PHE 36 -0.350 1.273 5.981 717 HD1 PHE 36 2HD PHE 36 -0.008 0.770 3.456 718 HD2 PHE 36 1HD PHE 36 -2.831 3.573 4.970 719 HE1 PHE 36 2HE PHE 36 -0.053 1.897 1.272 720 HE2 PHE 36 1HE PHE 36 -2.883 4.703 2.783 721 HZ PHE 36 HZ PHE 36 -1.490 3.864 0.931 722 H THR 37 H THR 37 -2.934 -0.249 8.033 723 HA THR 37 HA THR 37 -0.686 -1.532 9.204 724 HB THR 37 HB THR 37 -2.124 -1.893 11.148 725 HG1 THR 37 1HG THR 37 -4.186 -1.209 9.346 726 HG21 THR 37 3HG2 THR 37 -1.534 0.260 11.449 727 HG22 THR 37 1HG2 THR 37 -3.249 0.539 11.147 728 HG23 THR 37 2HG2 THR 37 -2.080 0.746 9.848 729 H ARG 38 H ARG 38 -3.773 -2.678 7.977 730 HA ARG 38 HA ARG 38 -3.507 -5.389 8.680 731 HB2 ARG 38 2HB ARG 38 -5.076 -3.984 6.526 732 HB3 ARG 38 1HB ARG 38 -5.115 -5.736 6.688 733 HG2 ARG 38 2HG ARG 38 -5.975 -5.533 8.946 734 HG3 ARG 38 1HG ARG 38 -5.880 -3.775 8.843 735 HD2 ARG 38 2HD ARG 38 -7.438 -3.938 6.857 736 HD3 ARG 38 1HD ARG 38 -7.672 -5.631 7.291 737 HE ARG 38 HE ARG 38 -8.138 -3.949 9.522 738 HH11 ARG 38 1HH1 ARG 38 -9.581 -4.989 6.518 739 HH12 ARG 38 2HH1 ARG 38 -11.203 -4.732 7.065 740 HH21 ARG 38 1HH2 ARG 38 -10.272 -3.609 10.240 741 HH22 ARG 38 2HH2 ARG 38 -11.596 -3.949 9.176 742 H LEU 39 H LEU 39 -2.458 -3.593 5.835 743 HA LEU 39 HA LEU 39 -1.649 -5.755 4.260 744 HB2 LEU 39 2HB LEU 39 -1.289 -2.873 4.243 745 HB3 LEU 39 1HB LEU 39 0.164 -3.686 3.697 746 HG LEU 39 HG LEU 39 -2.551 -4.261 2.520 747 HD11 LEU 39 1HD1 LEU 39 -0.468 -2.361 1.456 748 HD12 LEU 39 2HD1 LEU 39 -1.965 -1.872 2.250 749 HD13 LEU 39 3HD1 LEU 39 -2.025 -2.752 0.724 750 HD21 LEU 39 3HD2 LEU 39 -0.955 -5.999 2.096 751 HD22 LEU 39 1HD2 LEU 39 0.275 -4.824 1.634 752 HD23 LEU 39 2HD2 LEU 39 -1.147 -5.058 0.618 753 H ARG 40 H ARG 40 0.377 -3.721 6.388 754 HA ARG 40 HA ARG 40 2.674 -5.336 6.080 755 HB2 ARG 40 2HB ARG 40 2.755 -2.966 6.767 756 HB3 ARG 40 1HB ARG 40 2.002 -3.393 8.295 757 HG2 ARG 40 2HG ARG 40 4.302 -3.160 8.731 758 HG3 ARG 40 1HG ARG 40 3.981 -4.893 8.726 759 HD2 ARG 40 2HD ARG 40 5.944 -4.697 7.491 760 HD3 ARG 40 1HD ARG 40 4.699 -4.803 6.252 761 HE ARG 40 HE ARG 40 5.053 -2.117 6.728 762 HH11 ARG 40 1HH1 ARG 40 7.048 -4.781 5.666 763 HH12 ARG 40 2HH1 ARG 40 8.071 -3.786 4.686 764 HH21 ARG 40 1HH2 ARG 40 6.396 -0.816 5.430 765 HH22 ARG 40 2HH2 ARG 40 7.703 -1.537 4.553 766 H GLU 41 H GLU 41 0.487 -4.979 8.884 767 HA GLU 41 HA GLU 41 1.600 -6.923 10.497 768 HB2 GLU 41 2HB GLU 41 -1.284 -6.074 10.233 769 HB3 GLU 41 1HB GLU 41 -0.691 -7.116 11.519 770 HG2 GLU 41 2HG GLU 41 0.844 -5.329 12.227 771 HG3 GLU 41 1HG GLU 41 0.171 -4.285 10.977 772 H ALA 42 H ALA 42 -0.313 -7.342 7.639 773 HA ALA 42 HA ALA 42 -1.174 -10.006 8.156 774 HB1 ALA 42 1HB ALA 42 -1.012 -8.322 5.679 775 HB2 ALA 42 2HB ALA 42 -2.439 -8.870 6.558 776 HB3 ALA 42 3HB ALA 42 -1.497 -10.017 5.608 777 H ARG 43 H ARG 43 1.634 -8.611 6.535 778 HA ARG 43 HA ARG 43 2.813 -11.300 6.358 779 HB2 ARG 43 2HB ARG 43 4.000 -10.612 4.369 780 HB3 ARG 43 1HB ARG 43 2.275 -10.375 4.149 781 HG2 ARG 43 2HG ARG 43 2.442 -8.065 4.222 782 HG3 ARG 43 1HG ARG 43 3.995 -8.098 5.055 783 HD2 ARG 43 2HD ARG 43 3.994 -9.390 2.413 784 HD3 ARG 43 1HD ARG 43 3.673 -7.657 2.384 785 HE ARG 43 HE ARG 43 6.164 -8.932 2.943 786 HH11 ARG 43 1HH1 ARG 43 4.243 -6.111 3.684 787 HH12 ARG 43 2HH1 ARG 43 5.617 -5.120 4.046 788 HH21 ARG 43 1HH2 ARG 43 7.966 -7.631 3.423 789 HH22 ARG 43 2HH2 ARG 43 7.729 -5.983 3.899 790 H ALA 44 H ALA 44 5.395 -10.650 5.738 791 HA ALA 44 HA ALA 44 6.586 -10.172 8.173 792 HB1 ALA 44 1HB ALA 44 7.673 -9.721 5.400 793 HB2 ALA 44 2HB ALA 44 7.824 -11.174 6.389 794 HB3 ALA 44 3HB ALA 44 8.657 -9.693 6.863 795 H1 ALA 578 1HT ALA 578 -9.533 -0.446 -25.049 796 H2 ALA 578 2HT ALA 578 -9.579 -1.972 -25.833 797 H3 ALA 578 3HT ALA 578 -9.494 -0.530 -26.761 798 HA ALA 578 HA ALA 578 -7.438 -1.519 -24.904 799 HB1 ALA 578 2HB ALA 578 -7.701 -2.891 -26.943 800 HB2 ALA 578 3HB ALA 578 -6.150 -2.056 -26.871 801 HB3 ALA 578 1HB ALA 578 -7.432 -1.447 -27.918 802 H MET 579 H MET 579 -5.351 -0.376 -25.325 803 HA MET 579 HA MET 579 -5.326 2.168 -26.583 804 HB2 MET 579 2HB MET 579 -6.738 2.626 -24.544 805 HB3 MET 579 1HB MET 579 -5.326 2.255 -23.564 806 HG2 MET 579 2HG MET 579 -4.109 4.087 -24.620 807 HG3 MET 579 1HG MET 579 -5.521 4.456 -25.608 808 HE1 MET 579 3HE MET 579 -3.564 5.385 -22.646 809 HE2 MET 579 1HE MET 579 -4.365 4.055 -21.809 810 HE3 MET 579 2HE MET 579 -4.695 5.721 -21.335 811 H ALA 580 H ALA 580 -3.905 0.624 -23.693 812 HA ALA 580 HA ALA 580 -1.394 0.178 -24.949 813 HB1 ALA 580 1HB ALA 580 -1.315 2.651 -24.641 814 HB2 ALA 580 2HB ALA 580 -0.024 1.780 -23.815 815 HB3 ALA 580 3HB ALA 580 -1.404 2.387 -22.900 816 H ASP 581 H ASP 581 -3.344 -1.235 -23.341 817 HA ASP 581 HA ASP 581 -1.909 -1.754 -20.832 818 HB2 ASP 581 2HB ASP 581 -4.353 -1.357 -20.727 819 HB3 ASP 581 1HB ASP 581 -4.608 -2.765 -21.753 820 H ILE 582 H ILE 582 -0.157 -2.773 -22.097 821 HA ILE 582 HA ILE 582 -0.607 -5.167 -23.556 822 HB ILE 582 HB ILE 582 1.418 -3.745 -23.818 823 HG12 ILE 582 2HG1 ILE 582 1.979 -6.624 -23.073 824 HG13 ILE 582 1HG1 ILE 582 1.354 -6.075 -24.625 825 HG21 ILE 582 1HG2 ILE 582 2.397 -5.016 -21.270 826 HG22 ILE 582 2HG2 ILE 582 1.749 -3.379 -21.358 827 HG23 ILE 582 3HG2 ILE 582 3.209 -3.799 -22.254 828 HD11 ILE 582 3HD1 ILE 582 4.075 -5.649 -23.451 829 HD12 ILE 582 1HD1 ILE 582 3.472 -4.679 -24.794 830 HD13 ILE 582 2HD1 ILE 582 3.633 -6.426 -24.972 831 H GLY 583 H GLY 583 0.306 -4.501 -20.200 832 HA2 GLY 583 2HA GLY 583 0.500 -7.330 -19.563 833 HA3 GLY 583 1HA GLY 583 0.734 -5.987 -18.454 834 H SER 584 H SER 584 -0.545 -6.973 -16.868 835 HA SER 584 HA SER 584 -3.289 -6.282 -16.948 836 HB2 SER 584 2HB SER 584 -4.247 -8.563 -16.774 837 HB3 SER 584 1HB SER 584 -3.498 -8.272 -18.344 838 HG SER 584 HG SER 584 -2.407 -9.718 -16.161 839 H ALA 585 H ALA 585 -3.457 -5.532 -14.934 840 HA ALA 585 HA ALA 585 -1.844 -6.231 -12.773 841 HB1 ALA 585 1HB ALA 585 -3.092 -4.153 -12.834 842 HB2 ALA 585 2HB ALA 585 -3.496 -5.060 -11.378 843 HB3 ALA 585 3HB ALA 585 -4.614 -5.038 -12.741 844 H SER 586 H SER 586 -5.276 -7.108 -13.243 845 HA SER 586 HA SER 586 -6.508 -8.871 -12.507 846 HB2 SER 586 2HB SER 586 -5.588 -10.997 -12.771 847 HB3 SER 586 1HB SER 586 -4.535 -10.014 -13.786 848 HG SER 586 HG SER 586 -3.595 -11.563 -12.134 849 H GLY 587 H GLY 587 -5.992 -10.897 -10.663 850 HA2 GLY 587 2HA GLY 587 -5.465 -11.303 -8.410 851 HA3 GLY 587 1HA GLY 587 -5.002 -9.618 -8.229 852 H TYR 588 H TYR 588 -7.155 -8.199 -8.922 853 HA TYR 588 HA TYR 588 -9.650 -9.140 -8.022 854 HB2 TYR 588 2HB TYR 588 -8.116 -9.015 -5.881 855 HB3 TYR 588 1HB TYR 588 -8.400 -7.287 -6.007 856 HD1 TYR 588 2HD TYR 588 -10.489 -10.363 -6.331 857 HD2 TYR 588 1HD TYR 588 -10.010 -6.541 -4.539 858 HE1 TYR 588 2HE TYR 588 -12.630 -10.659 -5.145 859 HE2 TYR 588 1HE TYR 588 -12.140 -6.814 -3.349 860 HH TYR 588 HH TYR 588 -13.617 -8.601 -2.605 861 H VAL 589 H VAL 589 -10.812 -6.899 -7.046 862 HA VAL 589 HA VAL 589 -11.561 -4.793 -7.480 863 HB VAL 589 HB VAL 589 -9.200 -4.414 -9.311 864 HG11 VAL 589 1HG1 VAL 589 -10.770 -2.712 -9.707 865 HG12 VAL 589 2HG1 VAL 589 -9.585 -2.003 -8.610 866 HG13 VAL 589 3HG1 VAL 589 -11.144 -2.547 -7.992 867 HG21 VAL 589 3HG2 VAL 589 -9.447 -3.997 -6.337 868 HG22 VAL 589 1HG2 VAL 589 -8.173 -3.276 -7.320 869 HG23 VAL 589 2HG2 VAL 589 -8.298 -5.027 -7.188 870 HA PRO 590 HA PRO 590 -14.039 -6.047 -11.046 871 HB2 PRO 590 2HB PRO 590 -15.149 -3.307 -10.601 872 HB3 PRO 590 1HB PRO 590 -15.995 -4.844 -10.818 873 HG2 PRO 590 2HG PRO 590 -15.799 -3.761 -8.409 874 HG3 PRO 590 1HG PRO 590 -15.614 -5.511 -8.625 875 HD2 PRO 590 2HD PRO 590 -13.517 -3.427 -8.166 876 HD3 PRO 590 1HD PRO 590 -13.624 -5.086 -7.540 877 H GLU 591 H GLU 591 -15.059 -4.096 -12.801 878 HA GLU 591 HA GLU 591 -12.654 -3.494 -14.331 879 HB2 GLU 591 2HB GLU 591 -15.588 -3.565 -14.994 880 HB3 GLU 591 1HB GLU 591 -14.412 -2.878 -16.106 881 HG2 GLU 591 2HG GLU 591 -14.774 -5.102 -16.788 882 HG3 GLU 591 1HG GLU 591 -13.193 -5.068 -16.007 883 H GLU 592 H GLU 592 -15.678 -1.614 -14.204 884 HA GLU 592 HA GLU 592 -14.566 0.836 -14.742 885 HB2 GLU 592 2HB GLU 592 -17.060 0.077 -13.240 886 HB3 GLU 592 1HB GLU 592 -16.637 1.758 -13.527 887 HG2 GLU 592 2HG GLU 592 -18.129 1.171 -15.237 888 HG3 GLU 592 1HG GLU 592 -16.531 1.187 -15.981 889 H ILE 593 H ILE 593 -14.530 -0.888 -11.737 890 HA ILE 593 HA ILE 593 -13.994 1.373 -10.066 891 HB ILE 593 HB ILE 593 -13.587 -1.589 -9.613 892 HG12 ILE 593 2HG1 ILE 593 -15.933 -0.746 -9.797 893 HG13 ILE 593 1HG1 ILE 593 -15.555 -1.453 -8.232 894 HG21 ILE 593 1HG2 ILE 593 -13.328 -0.975 -7.202 895 HG22 ILE 593 2HG2 ILE 593 -13.177 0.709 -7.704 896 HG23 ILE 593 3HG2 ILE 593 -11.983 -0.476 -8.226 897 HD11 ILE 593 3HD1 ILE 593 -15.997 1.415 -8.943 898 HD12 ILE 593 1HD1 ILE 593 -15.103 0.973 -7.490 899 HD13 ILE 593 2HD1 ILE 593 -16.769 0.440 -7.696 900 H TRP 594 H TRP 594 -12.096 -0.757 -12.066 901 HA TRP 594 HA TRP 594 -9.591 -0.021 -10.864 902 HB2 TRP 594 2HB TRP 594 -9.851 -2.244 -11.863 903 HB3 TRP 594 1HB TRP 594 -10.144 -1.504 -13.436 904 HD1 TRP 594 HD TRP 594 -8.043 -0.484 -14.729 905 HE1 TRP 594 1HE TRP 594 -5.505 -0.787 -14.419 906 HE3 TRP 594 3HE TRP 594 -8.051 -2.628 -10.101 907 HZ2 TRP 594 2HZ TRP 594 -3.742 -1.818 -12.458 908 HZ3 TRP 594 3HZ TRP 594 -5.908 -3.243 -9.074 909 HH2 TRP 594 HH TRP 594 -3.800 -2.848 -10.229 910 H LYS 595 H LYS 595 -11.227 0.687 -13.934 911 HA LYS 595 HA LYS 595 -9.223 2.304 -15.020 912 HB2 LYS 595 2HB LYS 595 -12.224 2.379 -15.366 913 HB3 LYS 595 1HB LYS 595 -11.115 3.355 -16.320 914 HG2 LYS 595 2HG LYS 595 -10.140 1.433 -17.312 915 HG3 LYS 595 1HG LYS 595 -10.971 0.355 -16.190 916 HD2 LYS 595 2HD LYS 595 -12.018 0.379 -18.420 917 HD3 LYS 595 1HD LYS 595 -13.114 0.946 -17.159 918 HE2 LYS 595 2HE LYS 595 -12.893 3.190 -17.831 919 HE3 LYS 595 1HE LYS 595 -11.466 2.844 -18.809 920 HZ1 LYS 595 3HZ LYS 595 -13.595 3.190 -20.059 921 HZ2 LYS 595 1HZ LYS 595 -14.137 1.719 -19.421 922 HZ3 LYS 595 2HZ LYS 595 -12.772 1.758 -20.419 923 H LYS 596 H LYS 596 -11.992 3.132 -12.910 924 HA LYS 596 HA LYS 596 -11.516 5.893 -12.897 925 HB2 LYS 596 2HB LYS 596 -13.038 3.984 -11.167 926 HB3 LYS 596 1HB LYS 596 -12.799 5.628 -10.595 927 HG2 LYS 596 2HG LYS 596 -13.815 5.332 -13.364 928 HG3 LYS 596 1HG LYS 596 -14.912 4.870 -12.060 929 HD2 LYS 596 2HD LYS 596 -14.815 7.033 -11.091 930 HD3 LYS 596 1HD LYS 596 -13.458 7.507 -12.113 931 HE2 LYS 596 2HE LYS 596 -15.764 6.677 -13.681 932 HE3 LYS 596 1HE LYS 596 -16.152 8.005 -12.588 933 HZ1 LYS 596 3HZ LYS 596 -15.225 8.517 -14.926 934 HZ2 LYS 596 1HZ LYS 596 -13.722 8.142 -14.245 935 HZ3 LYS 596 2HZ LYS 596 -14.651 9.401 -13.603 936 H ALA 597 H ALA 597 -10.740 3.509 -10.287 937 HA ALA 597 HA ALA 597 -9.414 5.157 -8.584 938 HB1 ALA 597 1HB ALA 597 -8.593 3.256 -7.563 939 HB2 ALA 597 2HB ALA 597 -8.355 2.410 -9.091 940 HB3 ALA 597 3HB ALA 597 -9.981 2.632 -8.450 941 H GLU 598 H GLU 598 -8.149 3.741 -11.546 942 HA GLU 598 HA GLU 598 -5.425 4.332 -11.074 943 HB2 GLU 598 2HB GLU 598 -7.032 3.671 -13.520 944 HB3 GLU 598 1HB GLU 598 -5.372 4.223 -13.701 945 HG2 GLU 598 2HG GLU 598 -4.731 2.377 -12.089 946 HG3 GLU 598 1HG GLU 598 -6.368 1.758 -12.306 947 H GLU 599 H GLU 599 -8.055 6.192 -12.486 948 HA GLU 599 HA GLU 599 -6.469 8.307 -13.505 949 HB2 GLU 599 2HB GLU 599 -8.917 7.794 -14.026 950 HB3 GLU 599 1HB GLU 599 -9.303 8.589 -12.507 951 HG2 GLU 599 2HG GLU 599 -9.595 10.196 -14.203 952 HG3 GLU 599 1HG GLU 599 -8.094 10.610 -13.377 953 H ALA 600 H ALA 600 -8.183 7.873 -10.413 954 HA ALA 600 HA ALA 600 -7.707 10.327 -9.261 955 HB1 ALA 600 1HB ALA 600 -9.103 8.443 -8.357 956 HB2 ALA 600 2HB ALA 600 -8.142 9.323 -7.166 957 HB3 ALA 600 3HB ALA 600 -7.610 7.741 -7.735 958 H VAL 601 H VAL 601 -5.557 7.484 -9.203 959 HA VAL 601 HA VAL 601 -3.604 8.726 -7.564 960 HB VAL 601 HB VAL 601 -3.182 6.397 -9.438 961 HG11 VAL 601 1HG1 VAL 601 -1.436 5.835 -7.693 962 HG12 VAL 601 2HG1 VAL 601 -1.639 7.478 -7.093 963 HG13 VAL 601 3HG1 VAL 601 -1.075 7.204 -8.740 964 HG21 VAL 601 3HG2 VAL 601 -4.191 6.550 -6.605 965 HG22 VAL 601 1HG2 VAL 601 -3.560 5.068 -7.324 966 HG23 VAL 601 2HG2 VAL 601 -4.994 5.836 -8.004 967 H ASN 602 H ASN 602 -3.989 8.458 -11.054 968 HA ASN 602 HA ASN 602 -1.439 9.495 -11.743 969 HB2 ASN 602 2HB ASN 602 -4.055 9.336 -13.240 970 HB3 ASN 602 1HB ASN 602 -2.606 10.037 -13.956 971 HD21 ASN 602 1HD2 ASN 602 -2.127 8.565 -15.475 972 HD22 ASN 602 2HD2 ASN 602 -1.787 6.900 -15.160 973 H GLU 603 H GLU 603 -4.567 10.957 -11.085 974 HA GLU 603 HA GLU 603 -3.870 13.590 -11.869 975 HB2 GLU 603 2HB GLU 603 -5.991 12.538 -9.996 976 HB3 GLU 603 1HB GLU 603 -5.837 14.239 -10.410 977 HG2 GLU 603 2HG GLU 603 -6.195 12.086 -12.472 978 HG3 GLU 603 1HG GLU 603 -7.545 12.917 -11.703 979 H VAL 604 H VAL 604 -4.148 12.176 -8.561 980 HA VAL 604 HA VAL 604 -3.102 14.423 -7.281 981 HB VAL 604 HB VAL 604 -4.356 12.655 -6.108 982 HG11 VAL 604 1HG1 VAL 604 -3.043 10.780 -7.229 983 HG12 VAL 604 2HG1 VAL 604 -3.453 10.586 -5.524 984 HG13 VAL 604 3HG1 VAL 604 -1.819 11.061 -5.993 985 HG21 VAL 604 3HG2 VAL 604 -3.525 13.689 -4.323 986 HG22 VAL 604 1HG2 VAL 604 -2.049 14.088 -5.187 987 HG23 VAL 604 2HG2 VAL 604 -2.171 12.564 -4.321 988 H LYS 605 H LYS 605 -1.507 11.826 -8.925 989 HA LYS 605 HA LYS 605 1.073 12.222 -7.738 990 HB2 LYS 605 2HB LYS 605 0.018 10.683 -10.068 991 HB3 LYS 605 1HB LYS 605 1.738 11.036 -10.042 992 HG2 LYS 605 2HG LYS 605 1.718 10.033 -7.683 993 HG3 LYS 605 1HG LYS 605 0.140 9.382 -8.120 994 HD2 LYS 605 2HD LYS 605 2.779 8.859 -9.483 995 HD3 LYS 605 1HD LYS 605 1.805 7.711 -8.566 996 HE2 LYS 605 2HE LYS 605 1.178 7.115 -10.678 997 HE3 LYS 605 1HE LYS 605 -0.015 8.374 -10.383 998 HZ1 LYS 605 3HZ LYS 605 1.082 9.853 -11.746 999 HZ2 LYS 605 1HZ LYS 605 1.332 8.392 -12.563 1000 HZ3 LYS 605 2HZ LYS 605 2.569 9.056 -11.619 1001 H ARG 606 H ARG 606 -0.421 13.236 -10.794 1002 HA ARG 606 HA ARG 606 1.832 14.720 -11.683 1003 HB2 ARG 606 2HB ARG 606 -0.197 13.851 -13.039 1004 HB3 ARG 606 1HB ARG 606 -1.002 15.319 -12.502 1005 HG2 ARG 606 2HG ARG 606 1.054 16.542 -13.458 1006 HG3 ARG 606 1HG ARG 606 1.382 15.025 -14.294 1007 HD2 ARG 606 2HD ARG 606 0.141 16.254 -15.840 1008 HD3 ARG 606 1HD ARG 606 -1.053 15.183 -15.109 1009 HE ARG 606 HE ARG 606 -1.105 17.508 -13.627 1010 HH11 ARG 606 1HH1 ARG 606 -1.672 16.608 -16.952 1011 HH12 ARG 606 2HH1 ARG 606 -2.813 17.880 -17.230 1012 HH21 ARG 606 1HH2 ARG 606 -2.604 19.180 -13.992 1013 HH22 ARG 606 2HH2 ARG 606 -3.342 19.340 -15.551 1014 H GLN 607 H GLN 607 -0.765 15.384 -9.479 1015 HA GLN 607 HA GLN 607 -0.472 18.247 -9.579 1016 HB2 GLN 607 2HB GLN 607 -2.108 16.323 -7.992 1017 HB3 GLN 607 1HB GLN 607 -1.882 17.939 -7.345 1018 HG2 GLN 607 2HG GLN 607 -3.521 18.688 -8.639 1019 HG3 GLN 607 1HG GLN 607 -2.609 18.230 -10.074 1020 HE21 GLN 607 1HE2 GLN 607 -4.662 16.785 -7.568 1021 HE22 GLN 607 2HE2 GLN 607 -5.499 15.713 -8.635 1022 H ALA 608 H ALA 608 0.204 15.866 -6.925 1023 HA ALA 608 HA ALA 608 1.395 17.535 -5.132 1024 HB1 ALA 608 1HB ALA 608 0.965 15.221 -4.637 1025 HB2 ALA 608 2HB ALA 608 2.673 15.566 -4.370 1026 HB3 ALA 608 3HB ALA 608 2.164 14.710 -5.823 1027 H MET 609 H MET 609 2.729 16.320 -8.104 1028 HA MET 609 HA MET 609 5.443 16.914 -7.604 1029 HB2 MET 609 2HB MET 609 5.833 16.309 -9.773 1030 HB3 MET 609 1HB MET 609 4.214 15.651 -9.617 1031 HG2 MET 609 2HG MET 609 4.079 16.748 -11.623 1032 HG3 MET 609 1HG MET 609 3.466 17.971 -10.522 1033 HE1 MET 609 3HE MET 609 4.286 20.124 -12.600 1034 HE2 MET 609 1HE MET 609 4.124 18.492 -13.250 1035 HE3 MET 609 2HE MET 609 5.570 19.440 -13.598 1036 H THR 610 H THR 610 2.753 18.920 -8.596 1037 HA THR 610 HA THR 610 4.282 21.182 -9.406 1038 HB THR 610 HB THR 610 1.418 20.785 -8.575 1039 HG1 THR 610 1HG THR 610 2.015 20.236 -10.690 1040 HG21 THR 610 3HG2 THR 610 1.021 23.153 -9.332 1041 HG22 THR 610 1HG2 THR 610 2.750 23.416 -9.103 1042 HG23 THR 610 2HG2 THR 610 1.741 22.951 -7.733 1043 H GLU 611 H GLU 611 2.858 20.144 -6.350 1044 HA GLU 611 HA GLU 611 3.407 22.450 -4.850 1045 HB2 GLU 611 2HB GLU 611 3.159 19.551 -4.071 1046 HB3 GLU 611 1HB GLU 611 3.442 20.814 -2.883 1047 HG2 GLU 611 2HG GLU 611 1.123 20.834 -4.790 1048 HG3 GLU 611 1HG GLU 611 1.057 20.102 -3.188 1049 H LEU 612 H LEU 612 5.438 19.973 -6.060 1050 HA LEU 612 HA LEU 612 7.693 20.581 -4.326 1051 HB2 LEU 612 2HB LEU 612 7.602 18.838 -6.787 1052 HB3 LEU 612 1HB LEU 612 8.892 18.899 -5.603 1053 HG LEU 612 HG LEU 612 6.088 17.947 -5.027 1054 HD11 LEU 612 1HD1 LEU 612 6.861 15.740 -5.172 1055 HD12 LEU 612 2HD1 LEU 612 8.550 16.235 -5.234 1056 HD13 LEU 612 3HD1 LEU 612 7.492 16.525 -6.613 1057 HD21 LEU 612 3HD2 LEU 612 7.226 17.021 -2.976 1058 HD22 LEU 612 1HD2 LEU 612 7.054 18.775 -3.028 1059 HD23 LEU 612 2HD2 LEU 612 8.612 18.032 -3.388 1060 H GLN 613 H GLN 613 6.876 20.896 -7.766 1061 HA GLN 613 HA GLN 613 9.192 22.019 -8.729 1062 HB2 GLN 613 2HB GLN 613 7.076 21.363 -9.998 1063 HB3 GLN 613 1HB GLN 613 6.456 22.956 -9.584 1064 HG2 GLN 613 2HG GLN 613 7.336 23.187 -11.734 1065 HG3 GLN 613 1HG GLN 613 8.553 23.889 -10.669 1066 HE21 GLN 613 1HE2 GLN 613 7.711 21.073 -12.581 1067 HE22 GLN 613 2HE2 GLN 613 9.324 20.488 -12.776 1068 H LYS 614 H LYS 614 6.795 23.467 -6.678 1069 HA LYS 614 HA LYS 614 7.944 26.136 -7.036 1070 HB2 LYS 614 2HB LYS 614 6.009 27.006 -6.052 1071 HB3 LYS 614 1HB LYS 614 5.416 25.638 -6.985 1072 HG2 LYS 614 2HG LYS 614 5.774 24.360 -4.702 1073 HG3 LYS 614 1HG LYS 614 5.619 25.983 -4.034 1074 HD2 LYS 614 2HD LYS 614 3.613 24.637 -5.847 1075 HD3 LYS 614 1HD LYS 614 3.465 24.801 -4.097 1076 HE2 LYS 614 2HE LYS 614 2.187 26.570 -4.873 1077 HE3 LYS 614 1HE LYS 614 3.742 27.339 -4.558 1078 HZ1 LYS 614 3HZ LYS 614 3.367 26.264 -7.233 1079 HZ2 LYS 614 1HZ LYS 614 4.097 27.708 -6.736 1080 HZ3 LYS 614 2HZ LYS 614 2.412 27.604 -6.838 1081 H ALA 615 H ALA 615 9.158 23.786 -5.571 1082 HA ALA 615 HA ALA 615 10.197 23.290 -3.595 1083 HB1 ALA 615 1HB ALA 615 10.760 26.243 -3.800 1084 HB2 ALA 615 2HB ALA 615 11.688 24.943 -4.546 1085 HB3 ALA 615 3HB ALA 615 11.650 25.102 -2.792 Start of MODEL 2 1 H1 GLY -7 1HT GLY -7 -26.207 1.233 -3.343 2 H2 GLY -7 2HT GLY -7 -27.624 1.058 -4.248 3 H3 GLY -7 3HT GLY -7 -27.708 1.199 -2.565 4 HA2 GLY -7 1HA GLY -7 -27.675 3.405 -2.616 5 HA3 GLY -7 2HA GLY -7 -26.316 3.400 -3.730 6 H ALA -6 H ALA -6 -26.797 3.061 -6.024 7 HA ALA -6 HA ALA -6 -29.444 3.222 -7.026 8 HB1 ALA -6 1HB ALA -6 -27.874 5.794 -6.962 9 HB2 ALA -6 2HB ALA -6 -29.422 5.471 -6.183 10 HB3 ALA -6 3HB ALA -6 -29.316 5.529 -7.943 11 H MET -5 H MET -5 -29.492 2.734 -9.165 12 HA MET -5 HA MET -5 -28.798 2.233 -11.271 13 HB2 MET -5 2HB MET -5 -27.595 4.529 -10.976 14 HB3 MET -5 1HB MET -5 -26.143 3.558 -10.788 15 HG2 MET -5 2HG MET -5 -26.229 4.183 -13.049 16 HG3 MET -5 1HG MET -5 -26.708 2.488 -12.993 17 HE1 MET -5 3HE MET -5 -27.903 5.936 -14.655 18 HE2 MET -5 1HE MET -5 -27.784 6.054 -12.899 19 HE3 MET -5 2HE MET -5 -29.362 6.128 -13.683 20 H GLY -4 H GLY -4 -28.298 0.579 -8.945 21 HA2 GLY -4 2HA GLY -4 -27.286 -1.413 -8.453 22 HA3 GLY -4 1HA GLY -4 -26.806 -1.472 -10.141 23 H SER -3 H SER -3 -25.078 -2.574 -8.481 24 HA SER -3 HA SER -3 -23.188 -0.834 -7.296 25 HB2 SER -3 2HB SER -3 -22.882 -3.692 -8.249 26 HB3 SER -3 1HB SER -3 -21.714 -2.835 -7.243 27 HG SER -3 HG SER -3 -23.096 -2.872 -5.575 28 H MET -2 H MET -2 -23.323 -2.438 -10.451 29 HA MET -2 HA MET -2 -20.813 -1.309 -11.310 30 HB2 MET -2 2HB MET -2 -21.379 -2.327 -13.497 31 HB3 MET -2 1HB MET -2 -21.436 -3.476 -12.170 32 HG2 MET -2 2HG MET -2 -23.994 -2.156 -12.842 33 HG3 MET -2 1HG MET -2 -23.347 -3.252 -14.058 34 HE1 MET -2 3HE MET -2 -23.111 -5.585 -13.952 35 HE2 MET -2 1HE MET -2 -23.663 -6.686 -12.690 36 HE3 MET -2 2HE MET -2 -22.129 -5.835 -12.508 37 H SER -1 H SER -1 -20.591 0.092 -13.169 38 HA SER -1 HA SER -1 -20.996 2.006 -14.323 39 HB2 SER -1 2HB SER -1 -23.015 2.190 -15.469 40 HB3 SER -1 1HB SER -1 -22.961 0.468 -15.093 41 HG SER -1 HG SER -1 -24.526 2.497 -13.941 42 H HIS 2 H HIS 2 -20.833 2.118 -11.440 43 HA HIS 2 HA HIS 2 -21.816 4.785 -11.068 44 HB2 HIS 2 2HB HIS 2 -23.823 3.330 -10.577 45 HB3 HIS 2 1HB HIS 2 -22.926 2.676 -9.211 46 HD1 HIS 2 1HD HIS 2 -25.011 5.515 -10.239 47 HD2 HIS 2 2HD HIS 2 -22.374 4.628 -7.152 48 HE1 HIS 2 1HE HIS 2 -25.442 7.247 -8.467 49 HE2 HIS 2 2HE HIS 2 -23.812 6.712 -6.623 50 H ILE 3 H ILE 3 -20.084 5.708 -10.201 51 HA ILE 3 HA ILE 3 -18.928 4.630 -7.755 52 HB ILE 3 HB ILE 3 -17.255 5.123 -10.229 53 HG12 ILE 3 2HG1 ILE 3 -16.493 2.704 -9.493 54 HG13 ILE 3 1HG1 ILE 3 -18.057 2.670 -8.694 55 HG21 ILE 3 1HG2 ILE 3 -16.016 6.041 -8.446 56 HG22 ILE 3 2HG2 ILE 3 -15.353 4.432 -8.709 57 HG23 ILE 3 3HG2 ILE 3 -16.452 4.720 -7.361 58 HD11 ILE 3 3HD1 ILE 3 -17.382 2.314 -11.473 59 HD12 ILE 3 1HD1 ILE 3 -18.607 3.567 -11.268 60 HD13 ILE 3 2HD1 ILE 3 -18.882 1.950 -10.619 61 H GLN 4 H GLN 4 -17.933 7.047 -10.176 62 HA GLN 4 HA GLN 4 -17.620 9.268 -10.085 63 HB2 GLN 4 2HB GLN 4 -19.424 10.365 -9.343 64 HB3 GLN 4 1HB GLN 4 -20.004 8.842 -8.701 65 HG2 GLN 4 2HG GLN 4 -19.048 9.354 -6.535 66 HG3 GLN 4 1HG GLN 4 -18.357 10.848 -7.170 67 HE21 GLN 4 1HE2 GLN 4 -20.207 12.098 -8.467 68 HE22 GLN 4 2HE2 GLN 4 -21.623 12.382 -7.520 69 H ILE 5 H ILE 5 -15.540 9.671 -9.685 70 HA ILE 5 HA ILE 5 -13.949 8.904 -7.625 71 HB ILE 5 HB ILE 5 -13.805 11.591 -9.004 72 HG12 ILE 5 2HG1 ILE 5 -13.735 9.821 -10.644 73 HG13 ILE 5 1HG1 ILE 5 -12.102 10.438 -10.437 74 HG21 ILE 5 1HG2 ILE 5 -11.817 10.095 -7.317 75 HG22 ILE 5 2HG2 ILE 5 -12.415 11.741 -7.109 76 HG23 ILE 5 3HG2 ILE 5 -11.339 11.359 -8.450 77 HD11 ILE 5 3HD1 ILE 5 -11.795 8.497 -8.791 78 HD12 ILE 5 1HD1 ILE 5 -11.827 8.140 -10.518 79 HD13 ILE 5 2HD1 ILE 5 -13.257 7.839 -9.529 80 HA PRO 6 HA PRO 6 -16.233 10.795 -4.133 81 HB2 PRO 6 2HB PRO 6 -13.777 9.678 -2.828 82 HB3 PRO 6 1HB PRO 6 -15.463 9.612 -2.297 83 HG2 PRO 6 2HG PRO 6 -14.347 7.489 -3.411 84 HG3 PRO 6 1HG PRO 6 -16.012 7.942 -3.825 85 HD2 PRO 6 2HD PRO 6 -13.502 8.292 -5.407 86 HD3 PRO 6 1HD PRO 6 -15.142 7.912 -5.962 87 HA PRO 7 HA PRO 7 -13.746 14.617 -4.652 88 HB2 PRO 7 2HB PRO 7 -15.871 15.457 -2.714 89 HB3 PRO 7 1HB PRO 7 -15.255 16.298 -4.142 90 HG2 PRO 7 2HG PRO 7 -17.595 15.051 -4.232 91 HG3 PRO 7 1HG PRO 7 -16.479 14.975 -5.610 92 HD2 PRO 7 2HD PRO 7 -17.105 12.895 -3.561 93 HD3 PRO 7 1HD PRO 7 -16.729 12.706 -5.285 94 H GLY 8 H GLY 8 -12.293 15.712 -3.296 95 HA2 GLY 8 2HA GLY 8 -11.182 16.231 -1.319 96 HA3 GLY 8 1HA GLY 8 -12.311 15.216 -0.439 97 H LEU 9 H LEU 9 -11.702 12.949 -2.371 98 HA LEU 9 HA LEU 9 -9.749 11.692 -0.799 99 HB2 LEU 9 2HB LEU 9 -11.522 10.573 -2.181 100 HB3 LEU 9 1HB LEU 9 -10.580 10.948 -3.606 101 HG LEU 9 HG LEU 9 -10.470 8.568 -2.479 102 HD11 LEU 9 1HD1 LEU 9 -9.203 9.303 -4.463 103 HD12 LEU 9 2HD1 LEU 9 -8.279 8.222 -3.421 104 HD13 LEU 9 3HD1 LEU 9 -7.957 9.954 -3.400 105 HD21 LEU 9 3HD2 LEU 9 -9.816 9.482 -0.262 106 HD22 LEU 9 1HD2 LEU 9 -8.280 9.967 -0.965 107 HD23 LEU 9 2HD2 LEU 9 -8.716 8.264 -0.896 108 H THR 10 H THR 10 -9.539 13.559 -3.746 109 HA THR 10 HA THR 10 -6.934 12.834 -4.512 110 HB THR 10 HB THR 10 -8.148 15.563 -4.937 111 HG1 THR 10 1HG THR 10 -9.755 14.263 -5.599 112 HG21 THR 10 3HG2 THR 10 -5.869 15.251 -5.774 113 HG22 THR 10 1HG2 THR 10 -7.035 15.480 -7.078 114 HG23 THR 10 2HG2 THR 10 -6.418 13.867 -6.719 115 H GLU 11 H GLU 11 -8.139 15.394 -2.379 116 HA GLU 11 HA GLU 11 -5.622 16.586 -1.892 117 HB2 GLU 11 2HB GLU 11 -7.865 17.636 -1.464 118 HB3 GLU 11 1HB GLU 11 -8.017 16.598 -0.053 119 HG2 GLU 11 2HG GLU 11 -7.272 18.688 0.730 120 HG3 GLU 11 1HG GLU 11 -5.879 17.609 0.791 121 H LEU 12 H LEU 12 -7.234 13.811 -0.522 122 HA LEU 12 HA LEU 12 -5.648 13.665 1.844 123 HB2 LEU 12 2HB LEU 12 -7.675 11.984 0.514 124 HB3 LEU 12 1HB LEU 12 -6.506 11.100 1.474 125 HG LEU 12 HG LEU 12 -8.643 11.717 2.646 126 HD11 LEU 12 1HD1 LEU 12 -7.517 12.406 4.731 127 HD12 LEU 12 2HD1 LEU 12 -6.040 12.683 3.812 128 HD13 LEU 12 3HD1 LEU 12 -6.719 11.060 3.921 129 HD21 LEU 12 3HD2 LEU 12 -9.110 13.909 3.297 130 HD22 LEU 12 1HD2 LEU 12 -8.649 14.058 1.602 131 HD23 LEU 12 2HD2 LEU 12 -7.500 14.483 2.871 132 H LEU 13 H LEU 13 -5.439 12.151 -1.353 133 HA LEU 13 HA LEU 13 -3.170 10.543 -0.657 134 HB2 LEU 13 2HB LEU 13 -4.763 11.084 -3.099 135 HB3 LEU 13 1HB LEU 13 -3.108 10.563 -3.356 136 HG LEU 13 HG LEU 13 -3.511 8.500 -2.194 137 HD11 LEU 13 1HD1 LEU 13 -6.139 9.754 -1.482 138 HD12 LEU 13 2HD1 LEU 13 -4.922 9.062 -0.413 139 HD13 LEU 13 3HD1 LEU 13 -5.897 8.008 -1.436 140 HD21 LEU 13 3HD2 LEU 13 -4.093 8.377 -4.485 141 HD22 LEU 13 1HD2 LEU 13 -5.620 9.222 -4.222 142 HD23 LEU 13 2HD2 LEU 13 -5.401 7.582 -3.610 143 H GLN 14 H GLN 14 -3.652 13.750 -1.920 144 HA GLN 14 HA GLN 14 -1.101 14.164 -3.040 145 HB2 GLN 14 2HB GLN 14 -3.405 15.606 -2.956 146 HB3 GLN 14 1HB GLN 14 -2.445 16.496 -1.789 147 HG2 GLN 14 2HG GLN 14 -1.120 15.865 -4.355 148 HG3 GLN 14 1HG GLN 14 -2.458 17.004 -4.422 149 HE21 GLN 14 1HE2 GLN 14 -2.163 19.046 -3.729 150 HE22 GLN 14 2HE2 GLN 14 -0.685 19.652 -3.070 151 H GLY 15 H GLY 15 -2.386 14.851 0.180 152 HA2 GLY 15 2HA GLY 15 -0.155 16.081 1.301 153 HA3 GLY 15 1HA GLY 15 -1.302 15.096 2.201 154 H TYR 16 H TYR 16 -0.892 12.635 0.952 155 HA TYR 16 HA TYR 16 1.509 11.787 2.275 156 HB2 TYR 16 2HB TYR 16 -0.491 10.359 2.243 157 HB3 TYR 16 1HB TYR 16 -0.373 10.229 0.490 158 HD1 TYR 16 2HD TYR 16 1.855 9.756 3.453 159 HD2 TYR 16 1HD TYR 16 0.555 8.248 -0.304 160 HE1 TYR 16 2HE TYR 16 3.335 7.813 3.734 161 HE2 TYR 16 1HE TYR 16 2.039 6.302 -0.040 162 HH TYR 16 HH TYR 16 3.229 5.095 1.562 163 H THR 17 H THR 17 0.421 11.815 -1.115 164 HA THR 17 HA THR 17 2.643 10.728 -2.323 165 HB THR 17 HB THR 17 0.994 13.000 -3.441 166 HG1 THR 17 1HG THR 17 0.484 10.241 -3.209 167 HG21 THR 17 3HG2 THR 17 3.115 11.511 -4.597 168 HG22 THR 17 1HG2 THR 17 2.065 12.705 -5.363 169 HG23 THR 17 2HG2 THR 17 1.611 10.999 -5.361 170 H VAL 18 H VAL 18 2.027 14.224 -1.991 171 HA VAL 18 HA VAL 18 4.447 15.143 -2.944 172 HB VAL 18 HB VAL 18 2.354 16.466 -2.220 173 HG11 VAL 18 1HG1 VAL 18 2.569 15.674 0.189 174 HG12 VAL 18 2HG1 VAL 18 2.260 17.390 -0.063 175 HG13 VAL 18 3HG1 VAL 18 3.885 16.839 0.339 176 HG21 VAL 18 3HG2 VAL 18 3.707 18.523 -1.898 177 HG22 VAL 18 1HG2 VAL 18 4.232 17.534 -3.263 178 HG23 VAL 18 2HG2 VAL 18 5.141 17.509 -1.750 179 H GLU 19 H GLU 19 3.667 13.821 0.205 180 HA GLU 19 HA GLU 19 6.012 14.673 1.556 181 HB2 GLU 19 2HB GLU 19 3.656 13.260 2.235 182 HB3 GLU 19 1HB GLU 19 4.993 12.202 2.648 183 HG2 GLU 19 2HG GLU 19 4.637 15.035 3.588 184 HG3 GLU 19 1HG GLU 19 4.309 13.580 4.525 185 H VAL 20 H VAL 20 5.112 11.543 0.153 186 HA VAL 20 HA VAL 20 7.366 10.072 0.672 187 HB VAL 20 HB VAL 20 5.746 10.033 -1.883 188 HG11 VAL 20 1HG1 VAL 20 7.707 8.041 -0.765 189 HG12 VAL 20 2HG1 VAL 20 7.788 8.876 -2.315 190 HG13 VAL 20 3HG1 VAL 20 6.545 7.659 -2.032 191 HG21 VAL 20 3HG2 VAL 20 5.485 8.154 0.446 192 HG22 VAL 20 1HG2 VAL 20 4.371 8.406 -0.894 193 HG23 VAL 20 2HG2 VAL 20 4.556 9.645 0.343 194 H LEU 21 H LEU 21 6.904 12.471 -1.859 195 HA LEU 21 HA LEU 21 9.403 11.960 -3.149 196 HB2 LEU 21 2HB LEU 21 7.279 14.050 -3.381 197 HB3 LEU 21 1HB LEU 21 8.815 14.278 -4.192 198 HG LEU 21 HG LEU 21 8.491 12.372 -5.572 199 HD11 LEU 21 1HD1 LEU 21 6.166 11.724 -3.780 200 HD12 LEU 21 2HD1 LEU 21 7.628 10.777 -4.043 201 HD13 LEU 21 3HD1 LEU 21 6.443 10.946 -5.338 202 HD21 LEU 21 3HD2 LEU 21 7.247 13.701 -6.854 203 HD22 LEU 21 1HD2 LEU 21 6.489 14.462 -5.457 204 HD23 LEU 21 2HD2 LEU 21 5.819 12.974 -6.121 205 H ARG 22 H ARG 22 8.269 14.675 -1.085 206 HA ARG 22 HA ARG 22 10.800 15.933 -1.064 207 HB2 ARG 22 2HB ARG 22 9.909 17.501 0.406 208 HB3 ARG 22 1HB ARG 22 8.572 17.009 -0.621 209 HG2 ARG 22 2HG ARG 22 8.220 15.284 1.399 210 HG3 ARG 22 1HG ARG 22 8.991 16.610 2.276 211 HD2 ARG 22 2HD ARG 22 6.489 16.680 0.631 212 HD3 ARG 22 1HD ARG 22 6.656 16.992 2.358 213 HE ARG 22 HE ARG 22 8.123 18.765 0.607 214 HH11 ARG 22 1HH1 ARG 22 5.126 18.247 2.337 215 HH12 ARG 22 2HH1 ARG 22 4.726 19.928 2.388 216 HH21 ARG 22 1HH2 ARG 22 7.582 20.977 0.676 217 HH22 ARG 22 2HH2 ARG 22 6.114 21.476 1.446 218 H GLN 23 H GLN 23 9.503 13.343 0.818 219 HA GLN 23 HA GLN 23 11.585 13.654 2.866 220 HB2 GLN 23 2HB GLN 23 9.135 13.193 3.427 221 HB3 GLN 23 1HB GLN 23 9.411 11.567 2.821 222 HG2 GLN 23 2HG GLN 23 11.030 12.822 5.021 223 HG3 GLN 23 1HG GLN 23 9.596 11.835 5.297 224 HE21 GLN 23 1HE2 GLN 23 12.872 11.761 5.197 225 HE22 GLN 23 2HE2 GLN 23 13.118 10.082 4.878 226 H GLN 24 H GLN 24 10.527 11.514 0.304 227 HA GLN 24 HA GLN 24 11.480 9.729 -0.706 228 HB2 GLN 24 2HB GLN 24 14.066 10.821 0.415 229 HB3 GLN 24 1HB GLN 24 13.901 9.713 -0.940 230 HG2 GLN 24 2HG GLN 24 12.784 12.503 -0.911 231 HG3 GLN 24 1HG GLN 24 14.366 12.080 -1.560 232 HE21 GLN 24 1HE2 GLN 24 13.004 13.214 -3.370 233 HE22 GLN 24 2HE2 GLN 24 12.238 12.127 -4.473 234 HA PRO 25 HA PRO 25 11.816 7.369 3.271 235 HB2 PRO 25 2HB PRO 25 9.522 6.001 3.132 236 HB3 PRO 25 1HB PRO 25 9.538 7.697 3.629 237 HG2 PRO 25 2HG PRO 25 8.873 6.516 0.958 238 HG3 PRO 25 1HG PRO 25 8.031 7.792 1.853 239 HD2 PRO 25 2HD PRO 25 9.830 8.262 -0.176 240 HD3 PRO 25 1HD PRO 25 9.468 9.420 1.118 241 HA PRO 26 HA PRO 26 13.264 3.663 1.297 242 HB2 PRO 26 2HB PRO 26 13.354 1.921 3.325 243 HB3 PRO 26 1HB PRO 26 14.372 3.368 3.321 244 HG2 PRO 26 2HG PRO 26 11.773 2.891 4.740 245 HG3 PRO 26 1HG PRO 26 13.267 3.619 5.362 246 HD2 PRO 26 2HD PRO 26 11.123 5.081 4.484 247 HD3 PRO 26 1HD PRO 26 12.796 5.669 4.440 248 H ASP 27 H ASP 27 10.249 3.399 3.127 249 HA ASP 27 HA ASP 27 9.318 1.366 1.214 250 HB2 ASP 27 2HB ASP 27 8.913 1.339 4.211 251 HB3 ASP 27 1HB ASP 27 8.083 0.271 3.084 252 H LEU 28 H LEU 28 7.276 1.575 0.512 253 HA LEU 28 HA LEU 28 5.966 4.101 0.988 254 HB2 LEU 28 2HB LEU 28 5.234 1.765 -0.779 255 HB3 LEU 28 1HB LEU 28 4.356 3.280 -0.729 256 HG LEU 28 HG LEU 28 5.766 3.281 -2.663 257 HD11 LEU 28 1HD1 LEU 28 6.867 5.328 -2.402 258 HD12 LEU 28 2HD1 LEU 28 7.206 5.034 -0.698 259 HD13 LEU 28 3HD1 LEU 28 5.556 5.372 -1.224 260 HD21 LEU 28 3HD2 LEU 28 8.046 2.811 -2.711 261 HD22 LEU 28 1HD2 LEU 28 7.395 1.587 -1.623 262 HD23 LEU 28 2HD2 LEU 28 8.225 2.999 -0.968 263 H VAL 29 H VAL 29 5.553 0.770 1.933 264 HA VAL 29 HA VAL 29 2.842 1.053 2.818 265 HB VAL 29 HB VAL 29 4.737 -1.079 3.794 266 HG11 VAL 29 1HG1 VAL 29 2.801 -2.385 4.120 267 HG12 VAL 29 2HG1 VAL 29 1.807 -1.303 3.147 268 HG13 VAL 29 3HG1 VAL 29 2.387 -0.783 4.727 269 HG21 VAL 29 3HG2 VAL 29 3.820 -2.399 1.785 270 HG22 VAL 29 1HG2 VAL 29 5.106 -1.231 1.489 271 HG23 VAL 29 2HG2 VAL 29 3.437 -0.821 1.098 272 H GLU 30 H GLU 30 5.923 0.661 4.584 273 HA GLU 30 HA GLU 30 4.873 1.100 7.140 274 HB2 GLU 30 2HB GLU 30 7.100 0.130 6.688 275 HB3 GLU 30 1HB GLU 30 7.664 1.704 6.149 276 HG2 GLU 30 2HG GLU 30 6.483 1.576 8.862 277 HG3 GLU 30 1HG GLU 30 8.036 0.777 8.633 278 H PHE 31 H PHE 31 6.231 3.349 4.781 279 HA PHE 31 HA PHE 31 6.135 5.650 6.419 280 HB2 PHE 31 2HB PHE 31 7.507 5.444 4.375 281 HB3 PHE 31 1HB PHE 31 6.037 5.465 3.406 282 HD1 PHE 31 1HD PHE 31 7.847 7.477 5.969 283 HD2 PHE 31 2HD PHE 31 5.277 7.474 2.581 284 HE1 PHE 31 1HE PHE 31 7.954 9.935 5.893 285 HE2 PHE 31 2HE PHE 31 5.378 9.931 2.496 286 HZ PHE 31 HZ PHE 31 6.718 11.165 4.154 287 H ALA 32 H ALA 32 3.702 3.987 4.595 288 HA ALA 32 HA ALA 32 1.878 6.156 4.350 289 HB1 ALA 32 1HB ALA 32 0.235 4.448 3.769 290 HB2 ALA 32 2HB ALA 32 1.375 3.195 4.260 291 HB3 ALA 32 3HB ALA 32 1.746 4.239 2.887 292 H VAL 33 H VAL 33 2.230 3.545 6.714 293 HA VAL 33 HA VAL 33 -0.070 4.234 8.243 294 HB VAL 33 HB VAL 33 2.441 2.709 8.979 295 HG11 VAL 33 1HG1 VAL 33 1.148 1.828 10.887 296 HG12 VAL 33 2HG1 VAL 33 -0.131 2.982 10.523 297 HG13 VAL 33 3HG1 VAL 33 1.464 3.558 11.012 298 HG21 VAL 33 3HG2 VAL 33 0.869 0.750 8.808 299 HG22 VAL 33 1HG2 VAL 33 1.244 1.558 7.287 300 HG23 VAL 33 2HG2 VAL 33 -0.302 1.852 8.083 301 H GLU 34 H GLU 34 3.422 4.803 8.800 302 HA GLU 34 HA GLU 34 3.274 6.341 11.064 303 HB2 GLU 34 2HB GLU 34 5.140 6.636 8.708 304 HB3 GLU 34 1HB GLU 34 5.368 7.467 10.240 305 HG2 GLU 34 2HG GLU 34 5.198 4.477 9.985 306 HG3 GLU 34 1HG GLU 34 6.711 5.381 9.936 307 H TYR 35 H TYR 35 2.661 7.356 7.744 308 HA TYR 35 HA TYR 35 2.409 10.144 8.413 309 HB2 TYR 35 2HB TYR 35 3.175 9.578 6.206 310 HB3 TYR 35 1HB TYR 35 1.743 8.600 5.905 311 HD1 TYR 35 1HD TYR 35 -0.507 9.766 5.770 312 HD2 TYR 35 2HD TYR 35 3.180 11.891 5.692 313 HE1 TYR 35 1HE TYR 35 -1.653 11.709 4.795 314 HE2 TYR 35 2HE TYR 35 2.039 13.841 4.713 315 HH TYR 35 HH TYR 35 -0.320 14.761 4.675 316 H PHE 36 H PHE 36 0.076 7.612 7.446 317 HA PHE 36 HA PHE 36 -2.188 9.287 7.705 318 HB2 PHE 36 2HB PHE 36 -1.717 6.385 7.291 319 HB3 PHE 36 1HB PHE 36 -3.282 6.827 7.962 320 HD1 PHE 36 1HD PHE 36 -4.658 8.566 6.715 321 HD2 PHE 36 2HD PHE 36 -1.332 6.558 4.981 322 HE1 PHE 36 1HE PHE 36 -5.489 9.136 4.473 323 HE2 PHE 36 2HE PHE 36 -2.158 7.125 2.734 324 HZ PHE 36 HZ PHE 36 -4.240 8.418 2.478 325 H THR 37 H THR 37 -0.591 7.093 9.972 326 HA THR 37 HA THR 37 -2.592 7.145 11.953 327 HB THR 37 HB THR 37 -0.715 6.508 13.515 328 HG1 THR 37 1HG THR 37 1.306 6.209 12.642 329 HG21 THR 37 3HG2 THR 37 -1.000 4.977 10.952 330 HG22 THR 37 1HG2 THR 37 -1.863 4.718 12.468 331 HG23 THR 37 2HG2 THR 37 -0.136 4.383 12.370 332 H ARG 38 H ARG 38 0.380 9.084 11.631 333 HA ARG 38 HA ARG 38 0.021 10.665 13.898 334 HB2 ARG 38 2HB ARG 38 1.458 11.116 11.295 335 HB3 ARG 38 1HB ARG 38 1.416 12.373 12.524 336 HG2 ARG 38 2HG ARG 38 2.322 9.605 13.221 337 HG3 ARG 38 1HG ARG 38 3.422 10.741 12.439 338 HD2 ARG 38 2HD ARG 38 3.409 12.198 14.249 339 HD3 ARG 38 1HD ARG 38 1.895 11.556 14.886 340 HE ARG 38 HE ARG 38 3.912 9.570 14.922 341 HH11 ARG 38 1HH1 ARG 38 2.891 12.471 16.572 342 HH12 ARG 38 2HH1 ARG 38 3.601 12.012 18.082 343 HH21 ARG 38 1HH2 ARG 38 4.847 8.964 16.908 344 HH22 ARG 38 2HH2 ARG 38 4.712 10.022 18.274 345 H LEU 39 H LEU 39 -0.985 11.297 10.545 346 HA LEU 39 HA LEU 39 -2.072 13.799 10.813 347 HB2 LEU 39 2HB LEU 39 -2.167 11.749 8.884 348 HB3 LEU 39 1HB LEU 39 -3.841 12.151 9.209 349 HG LEU 39 HG LEU 39 -3.154 14.592 8.807 350 HD11 LEU 39 1HD1 LEU 39 -0.709 14.122 8.945 351 HD12 LEU 39 2HD1 LEU 39 -1.202 14.996 7.495 352 HD13 LEU 39 3HD1 LEU 39 -0.840 13.272 7.406 353 HD21 LEU 39 3HD2 LEU 39 -3.437 14.365 6.405 354 HD22 LEU 39 1HD2 LEU 39 -4.516 13.261 7.258 355 HD23 LEU 39 2HD2 LEU 39 -3.045 12.649 6.503 356 H ARG 40 H ARG 40 -3.876 10.740 11.246 357 HA ARG 40 HA ARG 40 -6.238 11.952 12.182 358 HB2 ARG 40 2HB ARG 40 -5.553 9.460 11.392 359 HB3 ARG 40 1HB ARG 40 -5.595 9.227 13.132 360 HG2 ARG 40 2HG ARG 40 -7.900 10.207 13.113 361 HG3 ARG 40 1HG ARG 40 -7.831 10.156 11.350 362 HD2 ARG 40 2HD ARG 40 -8.908 8.162 12.008 363 HD3 ARG 40 1HD ARG 40 -7.252 7.706 11.588 364 HE ARG 40 HE ARG 40 -7.382 8.313 14.317 365 HH11 ARG 40 1HH1 ARG 40 -8.416 5.854 12.071 366 HH12 ARG 40 2HH1 ARG 40 -8.425 4.593 13.257 367 HH21 ARG 40 1HH2 ARG 40 -7.390 6.654 15.882 368 HH22 ARG 40 2HH2 ARG 40 -7.842 5.047 15.422 369 H GLU 41 H GLU 41 -3.520 10.463 13.921 370 HA GLU 41 HA GLU 41 -4.553 10.833 16.509 371 HB2 GLU 41 2HB GLU 41 -1.719 10.553 15.510 372 HB3 GLU 41 1HB GLU 41 -2.132 10.614 17.218 373 HG2 GLU 41 2HG GLU 41 -3.292 8.588 15.327 374 HG3 GLU 41 1HG GLU 41 -1.801 8.323 16.227 375 H ALA 42 H ALA 42 -2.977 13.020 14.322 376 HA ALA 42 HA ALA 42 -1.918 14.925 16.018 377 HB1 ALA 42 1HB ALA 42 -1.763 14.892 13.520 378 HB2 ALA 42 2HB ALA 42 -2.086 16.478 14.218 379 HB3 ALA 42 3HB ALA 42 -3.394 15.561 13.472 380 H ARG 43 H ARG 43 -5.250 14.718 14.797 381 HA ARG 43 HA ARG 43 -6.108 16.927 16.460 382 HB2 ARG 43 2HB ARG 43 -8.360 16.409 15.519 383 HB3 ARG 43 1HB ARG 43 -7.136 16.762 14.308 384 HG2 ARG 43 2HG ARG 43 -6.972 14.514 13.653 385 HG3 ARG 43 1HG ARG 43 -7.821 13.948 15.091 386 HD2 ARG 43 2HD ARG 43 -9.467 15.803 13.609 387 HD3 ARG 43 1HD ARG 43 -8.912 14.500 12.561 388 HE ARG 43 HE ARG 43 -9.884 13.459 15.009 389 HH11 ARG 43 1HH1 ARG 43 -10.970 14.869 12.006 390 HH12 ARG 43 2HH1 ARG 43 -12.497 14.055 12.033 391 HH21 ARG 43 1HH2 ARG 43 -11.892 12.388 15.044 392 HH22 ARG 43 2HH2 ARG 43 -13.022 12.647 13.758 393 H ALA 44 H ALA 44 -8.206 16.573 17.742 394 HA ALA 44 HA ALA 44 -9.173 15.709 19.613 395 HB1 ALA 44 1HB ALA 44 -9.940 14.029 18.003 396 HB2 ALA 44 2HB ALA 44 -9.679 13.330 19.602 397 HB3 ALA 44 3HB ALA 44 -8.495 13.070 18.322 398 H1 GLY -7 1HT GLY -7 26.258 19.525 3.281 399 H2 GLY -7 2HT GLY -7 26.242 19.408 1.594 400 H3 GLY -7 3HT GLY -7 27.074 18.257 2.512 401 HA2 GLY -7 1HA GLY -7 24.798 17.618 1.571 402 HA3 GLY -7 2HA GLY -7 25.168 17.216 3.242 403 H ALA -6 H ALA -6 24.605 20.524 2.361 404 HA ALA -6 HA ALA -6 22.413 20.724 4.190 405 HB1 ALA -6 1HB ALA -6 22.359 23.077 3.545 406 HB2 ALA -6 2HB ALA -6 23.476 22.748 2.220 407 HB3 ALA -6 3HB ALA -6 24.006 22.551 3.891 408 H MET -5 H MET -5 20.346 20.288 3.768 409 HA MET -5 HA MET -5 19.450 19.794 1.073 410 HB2 MET -5 2HB MET -5 18.721 18.434 3.037 411 HB3 MET -5 1HB MET -5 17.835 19.835 3.626 412 HG2 MET -5 2HG MET -5 16.370 19.792 1.749 413 HG3 MET -5 1HG MET -5 17.347 18.563 0.948 414 HE1 MET -5 3HE MET -5 16.493 18.160 4.951 415 HE2 MET -5 1HE MET -5 14.760 17.969 4.681 416 HE3 MET -5 2HE MET -5 15.576 19.445 4.163 417 H GLY -4 H GLY -4 18.296 21.957 3.672 418 HA2 GLY -4 2HA GLY -4 17.258 24.001 3.584 419 HA3 GLY -4 1HA GLY -4 18.145 24.259 2.089 420 H SER -3 H SER -3 17.155 23.818 0.109 421 HA SER -3 HA SER -3 14.576 22.664 -0.131 422 HB2 SER -3 2HB SER -3 13.229 24.593 -0.583 423 HB3 SER -3 1HB SER -3 14.033 24.883 0.959 424 HG SER -3 HG SER -3 15.524 26.195 -0.120 425 H MET -2 H MET -2 14.061 22.246 -2.255 426 HA MET -2 HA MET -2 15.205 23.646 -4.450 427 HB2 MET -2 2HB MET -2 17.091 22.139 -3.436 428 HB3 MET -2 1HB MET -2 16.237 20.831 -4.237 429 HG2 MET -2 2HG MET -2 16.965 23.267 -5.804 430 HG3 MET -2 1HG MET -2 18.211 22.085 -5.418 431 HE1 MET -2 3HE MET -2 16.726 19.065 -5.925 432 HE2 MET -2 1HE MET -2 18.309 19.836 -6.003 433 HE3 MET -2 2HE MET -2 17.609 19.111 -7.449 434 H SER -1 H SER -1 13.921 23.389 -6.171 435 HA SER -1 HA SER -1 11.724 21.510 -6.014 436 HB2 SER -1 2HB SER -1 11.317 22.747 -8.377 437 HB3 SER -1 1HB SER -1 10.872 23.471 -6.833 438 HG SER -1 HG SER -1 12.615 24.765 -6.916 439 H HIS 2 H HIS 2 12.187 19.459 -6.560 440 HA HIS 2 HA HIS 2 12.553 18.648 -9.176 441 HB2 HIS 2 2HB HIS 2 14.790 19.390 -9.275 442 HB3 HIS 2 1HB HIS 2 15.115 18.900 -7.618 443 HD1 HIS 2 1HD HIS 2 15.797 17.908 -10.966 444 HD2 HIS 2 2HD HIS 2 14.982 15.883 -7.429 445 HE1 HIS 2 1HE HIS 2 16.650 15.570 -11.321 446 HE2 HIS 2 2HE HIS 2 16.038 14.332 -9.213 447 H ILE 3 H ILE 3 11.853 16.648 -9.290 448 HA ILE 3 HA ILE 3 12.408 14.717 -7.223 449 HB ILE 3 HB ILE 3 10.081 14.253 -6.724 450 HG12 ILE 3 2HG1 ILE 3 9.059 15.105 -8.799 451 HG13 ILE 3 1HG1 ILE 3 8.275 15.747 -7.365 452 HG21 ILE 3 1HG2 ILE 3 9.689 16.013 -5.201 453 HG22 ILE 3 2HG2 ILE 3 10.644 17.134 -6.162 454 HG23 ILE 3 3HG2 ILE 3 11.429 15.793 -5.328 455 HD11 ILE 3 3HD1 ILE 3 10.042 17.710 -7.807 456 HD12 ILE 3 1HD1 ILE 3 8.432 17.664 -8.524 457 HD13 ILE 3 2HD1 ILE 3 9.825 17.122 -9.455 458 H GLN 4 H GLN 4 10.935 12.652 -7.765 459 HA GLN 4 HA GLN 4 10.231 12.313 -10.507 460 HB2 GLN 4 2HB GLN 4 12.000 10.566 -10.969 461 HB3 GLN 4 1HB GLN 4 12.562 12.233 -10.946 462 HG2 GLN 4 2HG GLN 4 12.726 10.812 -8.369 463 HG3 GLN 4 1HG GLN 4 13.772 10.193 -9.644 464 HE21 GLN 4 1HE2 GLN 4 13.220 12.700 -7.385 465 HE22 GLN 4 2HE2 GLN 4 14.620 13.645 -7.747 466 H ILE 5 H ILE 5 8.375 11.564 -9.575 467 HA ILE 5 HA ILE 5 7.464 10.000 -7.777 468 HB ILE 5 HB ILE 5 7.086 9.196 -10.660 469 HG12 ILE 5 2HG1 ILE 5 6.533 11.531 -10.398 470 HG13 ILE 5 1HG1 ILE 5 5.038 10.616 -10.518 471 HG21 ILE 5 1HG2 ILE 5 6.233 7.440 -9.352 472 HG22 ILE 5 2HG2 ILE 5 4.839 8.421 -9.790 473 HG23 ILE 5 3HG2 ILE 5 5.533 8.549 -8.174 474 HD11 ILE 5 3HD1 ILE 5 4.494 11.979 -8.797 475 HD12 ILE 5 1HD1 ILE 5 6.163 12.124 -8.241 476 HD13 ILE 5 2HD1 ILE 5 5.234 10.668 -7.876 477 HA PRO 6 HA PRO 6 10.589 6.638 -7.501 478 HB2 PRO 6 2HB PRO 6 8.771 5.971 -5.223 479 HB3 PRO 6 1HB PRO 6 10.537 6.036 -5.268 480 HG2 PRO 6 2HG PRO 6 9.141 7.982 -4.110 481 HG3 PRO 6 1HG PRO 6 10.587 8.349 -5.069 482 HD2 PRO 6 2HD PRO 6 7.703 8.681 -5.784 483 HD3 PRO 6 1HD PRO 6 9.094 9.707 -6.191 484 HA PRO 7 HA PRO 7 8.069 3.399 -9.226 485 HB2 PRO 7 2HB PRO 7 9.778 1.243 -8.492 486 HB3 PRO 7 1HB PRO 7 9.820 2.178 -9.986 487 HG2 PRO 7 2HG PRO 7 11.797 2.178 -8.019 488 HG3 PRO 7 1HG PRO 7 11.608 3.395 -9.291 489 HD2 PRO 7 2HD PRO 7 10.752 3.491 -6.427 490 HD3 PRO 7 1HD PRO 7 11.394 4.782 -7.463 491 H GLY 8 H GLY 8 6.361 2.149 -8.684 492 HA2 GLY 8 2HA GLY 8 5.258 0.442 -7.464 493 HA3 GLY 8 1HA GLY 8 6.369 0.700 -6.128 494 H LEU 9 H LEU 9 5.963 3.648 -6.310 495 HA LEU 9 HA LEU 9 4.092 4.014 -4.325 496 HB2 LEU 9 2HB LEU 9 5.855 5.617 -5.405 497 HB3 LEU 9 1HB LEU 9 4.516 6.129 -6.412 498 HG LEU 9 HG LEU 9 4.437 6.205 -3.396 499 HD11 LEU 9 1HD1 LEU 9 4.966 8.542 -3.510 500 HD12 LEU 9 2HD1 LEU 9 5.035 8.486 -5.271 501 HD13 LEU 9 3HD1 LEU 9 6.247 7.635 -4.314 502 HD21 LEU 9 3HD2 LEU 9 2.687 7.324 -5.573 503 HD22 LEU 9 1HD2 LEU 9 2.632 7.906 -3.910 504 HD23 LEU 9 2HD2 LEU 9 2.245 6.227 -4.268 505 H THR 10 H THR 10 3.581 4.360 -7.841 506 HA THR 10 HA THR 10 0.932 5.185 -7.775 507 HB THR 10 HB THR 10 1.922 3.267 -9.873 508 HG1 THR 10 1HG THR 10 3.022 4.943 -10.828 509 HG21 THR 10 3HG2 THR 10 -0.370 4.916 -9.691 510 HG22 THR 10 1HG2 THR 10 0.190 3.970 -11.072 511 HG23 THR 10 2HG2 THR 10 0.702 5.645 -10.888 512 H GLU 11 H GLU 11 2.181 1.865 -7.907 513 HA GLU 11 HA GLU 11 -0.219 0.488 -8.017 514 HB2 GLU 11 2HB GLU 11 2.520 -0.160 -7.028 515 HB3 GLU 11 1HB GLU 11 1.222 -1.278 -6.635 516 HG2 GLU 11 2HG GLU 11 1.785 -0.371 -9.442 517 HG3 GLU 11 1HG GLU 11 2.558 -1.779 -8.714 518 H LEU 12 H LEU 12 1.641 1.310 -5.075 519 HA LEU 12 HA LEU 12 -0.032 0.214 -3.188 520 HB2 LEU 12 2HB LEU 12 1.860 2.512 -3.184 521 HB3 LEU 12 1HB LEU 12 0.781 2.362 -1.811 522 HG LEU 12 HG LEU 12 3.067 1.343 -1.535 523 HD11 LEU 12 1HD1 LEU 12 2.002 -0.930 -0.712 524 HD12 LEU 12 2HD1 LEU 12 0.498 -0.072 -1.039 525 HD13 LEU 12 3HD1 LEU 12 1.664 0.599 0.097 526 HD21 LEU 12 3HD2 LEU 12 3.589 -0.734 -2.574 527 HD22 LEU 12 1HD2 LEU 12 3.149 0.398 -3.852 528 HD23 LEU 12 2HD2 LEU 12 1.998 -0.829 -3.326 529 H LEU 13 H LEU 13 -0.163 3.623 -4.281 530 HA LEU 13 HA LEU 13 -2.501 4.283 -2.891 531 HB2 LEU 13 2HB LEU 13 -1.410 5.390 -5.477 532 HB3 LEU 13 1HB LEU 13 -2.719 6.121 -4.570 533 HG LEU 13 HG LEU 13 0.115 5.768 -3.594 534 HD11 LEU 13 1HD1 LEU 13 -1.378 8.249 -4.437 535 HD12 LEU 13 2HD1 LEU 13 -0.081 7.464 -5.338 536 HD13 LEU 13 3HD1 LEU 13 0.254 8.198 -3.771 537 HD21 LEU 13 3HD2 LEU 13 -0.933 5.797 -1.594 538 HD22 LEU 13 1HD2 LEU 13 -2.399 6.530 -2.240 539 HD23 LEU 13 2HD2 LEU 13 -0.992 7.533 -1.889 540 H GLN 14 H GLN 14 -2.007 2.454 -5.765 541 HA GLN 14 HA GLN 14 -4.597 2.730 -6.898 542 HB2 GLN 14 2HB GLN 14 -2.207 1.548 -7.677 543 HB3 GLN 14 1HB GLN 14 -3.263 0.169 -7.438 544 HG2 GLN 14 2HG GLN 14 -3.886 0.532 -9.553 545 HG3 GLN 14 1HG GLN 14 -4.861 1.842 -8.895 546 HE21 GLN 14 1HE2 GLN 14 -4.251 3.936 -9.226 547 HE22 GLN 14 2HE2 GLN 14 -2.993 4.392 -10.322 548 H GLY 15 H GLY 15 -3.132 0.347 -4.726 549 HA2 GLY 15 2HA GLY 15 -5.261 -1.461 -4.608 550 HA3 GLY 15 1HA GLY 15 -4.058 -1.233 -3.349 551 H TYR 16 H TYR 16 -4.742 1.538 -2.853 552 HA TYR 16 HA TYR 16 -6.897 1.096 -1.009 553 HB2 TYR 16 2HB TYR 16 -4.871 2.481 -0.517 554 HB3 TYR 16 1HB TYR 16 -5.469 3.679 -1.658 555 HD1 TYR 16 1HD TYR 16 -6.940 1.724 1.184 556 HD2 TYR 16 2HD TYR 16 -6.377 5.536 -0.623 557 HE1 TYR 16 1HE TYR 16 -8.239 2.766 2.995 558 HE2 TYR 16 2HE TYR 16 -7.676 6.586 1.179 559 HH TYR 16 HH TYR 16 -8.687 6.279 3.152 560 H THR 17 H THR 17 -6.428 3.242 -3.821 561 HA THR 17 HA THR 17 -8.879 4.523 -3.794 562 HB THR 17 HB THR 17 -8.530 4.471 -6.412 563 HG1 THR 17 1HG THR 17 -5.910 3.827 -5.604 564 HG21 THR 17 3HG2 THR 17 -8.104 6.507 -5.377 565 HG22 THR 17 1HG2 THR 17 -6.594 6.096 -6.189 566 HG23 THR 17 2HG2 THR 17 -6.752 5.859 -4.448 567 H VAL 18 H VAL 18 -8.084 1.644 -5.760 568 HA VAL 18 HA VAL 18 -10.552 1.130 -6.816 569 HB VAL 18 HB VAL 18 -9.929 -1.217 -7.004 570 HG11 VAL 18 1HG1 VAL 18 -7.701 0.751 -7.490 571 HG12 VAL 18 2HG1 VAL 18 -8.927 0.191 -8.623 572 HG13 VAL 18 3HG1 VAL 18 -7.669 -0.912 -8.073 573 HG21 VAL 18 3HG2 VAL 18 -7.798 -0.508 -5.001 574 HG22 VAL 18 1HG2 VAL 18 -7.731 -1.955 -6.008 575 HG23 VAL 18 2HG2 VAL 18 -9.056 -1.738 -4.867 576 H GLU 19 H GLU 19 -9.418 0.350 -3.583 577 HA GLU 19 HA GLU 19 -11.767 -1.171 -2.888 578 HB2 GLU 19 2HB GLU 19 -9.409 -1.439 -1.907 579 HB3 GLU 19 1HB GLU 19 -9.781 -0.022 -0.935 580 HG2 GLU 19 2HG GLU 19 -11.657 -1.168 0.074 581 HG3 GLU 19 1HG GLU 19 -11.381 -2.572 -0.955 582 H VAL 20 H VAL 20 -10.443 1.987 -1.901 583 HA VAL 20 HA VAL 20 -12.429 2.864 -0.219 584 HB VAL 20 HB VAL 20 -10.922 4.515 -2.258 585 HG11 VAL 20 1HG1 VAL 20 -11.374 6.388 -0.610 586 HG12 VAL 20 2HG1 VAL 20 -12.589 5.332 0.109 587 HG13 VAL 20 3HG1 VAL 20 -12.747 5.844 -1.571 588 HG21 VAL 20 3HG2 VAL 20 -9.859 3.097 -0.174 589 HG22 VAL 20 1HG2 VAL 20 -10.148 4.666 0.574 590 HG23 VAL 20 2HG2 VAL 20 -9.149 4.549 -0.872 591 H LEU 21 H LEU 21 -12.292 3.407 -3.732 592 HA LEU 21 HA LEU 21 -14.769 4.659 -3.978 593 HB2 LEU 21 2HB LEU 21 -13.020 3.131 -5.870 594 HB3 LEU 21 1HB LEU 21 -14.602 3.673 -6.395 595 HG LEU 21 HG LEU 21 -14.019 5.961 -6.137 596 HD11 LEU 21 1HD1 LEU 21 -11.836 6.691 -5.277 597 HD12 LEU 21 2HD1 LEU 21 -11.462 5.026 -4.849 598 HD13 LEU 21 3HD1 LEU 21 -12.792 5.862 -4.052 599 HD21 LEU 21 3HD2 LEU 21 -12.269 6.216 -7.724 600 HD22 LEU 21 1HD2 LEU 21 -13.146 4.745 -8.142 601 HD23 LEU 21 2HD2 LEU 21 -11.591 4.638 -7.320 602 H ARG 22 H ARG 22 -13.937 1.223 -4.097 603 HA ARG 22 HA ARG 22 -16.530 0.307 -4.774 604 HB2 ARG 22 2HB ARG 22 -14.328 -0.922 -5.096 605 HB3 ARG 22 1HB ARG 22 -14.371 -1.267 -3.378 606 HG2 ARG 22 2HG ARG 22 -15.239 -3.190 -4.339 607 HG3 ARG 22 1HG ARG 22 -16.675 -2.304 -3.831 608 HD2 ARG 22 2HD ARG 22 -15.552 -2.105 -6.614 609 HD3 ARG 22 1HD ARG 22 -16.718 -3.342 -6.155 610 HE ARG 22 HE ARG 22 -17.216 -0.523 -6.531 611 HH11 ARG 22 1HH1 ARG 22 -18.400 -3.485 -5.098 612 HH12 ARG 22 2HH1 ARG 22 -20.047 -2.955 -5.078 613 HH21 ARG 22 1HH2 ARG 22 -19.381 0.164 -6.499 614 HH22 ARG 22 2HH2 ARG 22 -20.604 -0.888 -5.870 615 H GLN 23 H GLN 23 -15.043 1.128 -1.724 616 HA GLN 23 HA GLN 23 -17.243 -0.175 -0.261 617 HB2 GLN 23 2HB GLN 23 -14.580 0.896 0.676 618 HB3 GLN 23 1HB GLN 23 -15.819 0.263 1.752 619 HG2 GLN 23 2HG GLN 23 -14.621 -1.338 -0.489 620 HG3 GLN 23 1HG GLN 23 -13.962 -1.319 1.146 621 HE21 GLN 23 1HE2 GLN 23 -15.108 -3.520 -0.399 622 HE22 GLN 23 2HE2 GLN 23 -16.410 -4.141 0.551 623 H GLN 24 H GLN 24 -15.539 2.914 -0.520 624 HA GLN 24 HA GLN 24 -16.155 5.038 -0.055 625 HB2 GLN 24 2HB GLN 24 -18.996 4.007 -0.048 626 HB3 GLN 24 1HB GLN 24 -18.477 5.668 -0.283 627 HG2 GLN 24 2HG GLN 24 -17.685 3.456 -2.150 628 HG3 GLN 24 1HG GLN 24 -19.173 4.380 -2.345 629 HE21 GLN 24 1HE2 GLN 24 -17.714 4.579 -4.429 630 HE22 GLN 24 2HE2 GLN 24 -16.801 6.043 -4.505 631 HA PRO 25 HA PRO 25 -16.707 4.003 4.407 632 HB2 PRO 25 2HB PRO 25 -14.368 4.900 5.330 633 HB3 PRO 25 1HB PRO 25 -14.471 3.360 4.465 634 HG2 PRO 25 2HG PRO 25 -13.629 6.049 3.436 635 HG3 PRO 25 1HG PRO 25 -12.855 4.474 3.193 636 HD2 PRO 25 2HD PRO 25 -14.529 5.640 1.365 637 HD3 PRO 25 1HD PRO 25 -14.299 3.885 1.506 638 HA PRO 26 HA PRO 26 -17.983 8.010 5.794 639 HB2 PRO 26 2HB PRO 26 -16.907 7.552 8.495 640 HB3 PRO 26 1HB PRO 26 -18.587 7.693 7.970 641 HG2 PRO 26 2HG PRO 26 -17.533 5.349 8.781 642 HG3 PRO 26 1HG PRO 26 -18.774 5.441 7.515 643 HD2 PRO 26 2HD PRO 26 -15.807 5.095 7.239 644 HD3 PRO 26 1HD PRO 26 -17.124 4.277 6.375 645 H ASP 27 H ASP 27 -14.726 7.042 6.770 646 HA ASP 27 HA ASP 27 -13.814 9.806 6.314 647 HB2 ASP 27 2HB ASP 27 -13.014 8.000 8.605 648 HB3 ASP 27 1HB ASP 27 -12.202 9.507 8.199 649 H LEU 28 H LEU 28 -12.091 9.981 5.041 650 HA LEU 28 HA LEU 28 -11.065 7.685 3.724 651 HB2 LEU 28 2HB LEU 28 -10.299 10.595 3.693 652 HB3 LEU 28 1HB LEU 28 -9.440 9.400 2.740 653 HG LEU 28 HG LEU 28 -11.036 10.544 1.346 654 HD11 LEU 28 1HD1 LEU 28 -10.692 7.955 1.258 655 HD12 LEU 28 2HD1 LEU 28 -11.949 8.717 0.284 656 HD13 LEU 28 3HD1 LEU 28 -12.372 7.910 1.796 657 HD21 LEU 28 3HD2 LEU 28 -13.260 9.550 3.108 658 HD22 LEU 28 1HD2 LEU 28 -13.346 10.700 1.773 659 HD23 LEU 28 2HD2 LEU 28 -12.550 11.156 3.278 660 H VAL 29 H VAL 29 -9.891 9.779 6.296 661 HA VAL 29 HA VAL 29 -7.244 8.766 6.388 662 HB VAL 29 HB VAL 29 -8.857 10.082 8.582 663 HG11 VAL 29 1HG1 VAL 29 -5.915 9.483 8.357 664 HG12 VAL 29 2HG1 VAL 29 -7.032 8.956 9.613 665 HG13 VAL 29 3HG1 VAL 29 -6.577 10.656 9.493 666 HG21 VAL 29 3HG2 VAL 29 -6.866 11.264 6.648 667 HG22 VAL 29 1HG2 VAL 29 -7.704 12.127 7.937 668 HG23 VAL 29 2HG2 VAL 29 -8.615 11.473 6.576 669 H GLU 30 H GLU 30 -10.093 8.085 8.426 670 HA GLU 30 HA GLU 30 -8.917 6.148 10.037 671 HB2 GLU 30 2HB GLU 30 -11.307 7.318 10.066 672 HB3 GLU 30 1HB GLU 30 -11.789 5.821 9.280 673 HG2 GLU 30 2HG GLU 30 -10.707 4.599 11.196 674 HG3 GLU 30 1HG GLU 30 -10.544 6.163 11.996 675 H PHE 31 H PHE 31 -10.567 5.787 6.923 676 HA PHE 31 HA PHE 31 -10.368 2.940 6.877 677 HB2 PHE 31 2HB PHE 31 -12.030 4.311 5.584 678 HB3 PHE 31 1HB PHE 31 -10.713 4.786 4.516 679 HD1 PHE 31 2HD PHE 31 -12.260 1.709 5.942 680 HD2 PHE 31 1HD PHE 31 -10.385 3.552 2.599 681 HE1 PHE 31 2HE PHE 31 -12.628 -0.332 4.619 682 HE2 PHE 31 1HE PHE 31 -10.750 1.512 1.266 683 HZ PHE 31 HZ PHE 31 -11.872 -0.431 2.278 684 H ALA 32 H ALA 32 -8.241 5.530 5.993 685 HA ALA 32 HA ALA 32 -6.539 3.941 4.309 686 HB1 ALA 32 1HB ALA 32 -5.015 5.927 4.476 687 HB2 ALA 32 2HB ALA 32 -6.228 6.673 5.517 688 HB3 ALA 32 3HB ALA 32 -6.631 6.261 3.849 689 H VAL 33 H VAL 33 -6.347 5.154 7.640 690 HA VAL 33 HA VAL 33 -3.771 4.214 8.180 691 HB VAL 33 HB VAL 33 -5.352 5.794 9.558 692 HG11 VAL 33 1HG1 VAL 33 -5.752 3.262 11.132 693 HG12 VAL 33 2HG1 VAL 33 -6.966 3.904 10.026 694 HG13 VAL 33 3HG1 VAL 33 -6.453 4.855 11.418 695 HG21 VAL 33 3HG2 VAL 33 -3.276 3.945 10.706 696 HG22 VAL 33 1HG2 VAL 33 -3.960 5.299 11.607 697 HG23 VAL 33 2HG2 VAL 33 -3.066 5.594 10.116 698 H GLU 34 H GLU 34 -6.885 2.584 8.362 699 HA GLU 34 HA GLU 34 -5.834 0.255 9.679 700 HB2 GLU 34 2HB GLU 34 -8.027 -0.696 9.397 701 HB3 GLU 34 1HB GLU 34 -8.193 0.976 9.914 702 HG2 GLU 34 2HG GLU 34 -8.592 1.606 7.549 703 HG3 GLU 34 1HG GLU 34 -8.579 -0.107 7.135 704 H TYR 35 H TYR 35 -6.656 1.132 6.359 705 HA TYR 35 HA TYR 35 -6.343 -1.388 5.173 706 HB2 TYR 35 2HB TYR 35 -7.375 0.452 3.975 707 HB3 TYR 35 1HB TYR 35 -5.881 1.377 4.033 708 HD1 TYR 35 1HD TYR 35 -3.846 0.425 2.790 709 HD2 TYR 35 2HD TYR 35 -7.817 -0.970 2.154 710 HE1 TYR 35 1HE TYR 35 -3.164 -0.517 0.625 711 HE2 TYR 35 2HE TYR 35 -7.143 -1.913 -0.017 712 HH TYR 35 HH TYR 35 -4.149 -2.548 -0.894 713 H PHE 36 H PHE 36 -3.962 1.271 5.455 714 HA PHE 36 HA PHE 36 -1.847 -0.170 4.289 715 HB2 PHE 36 2HB PHE 36 -2.026 2.291 5.984 716 HB3 PHE 36 1HB PHE 36 -0.445 1.578 5.676 717 HD1 PHE 36 1HD PHE 36 0.102 1.058 3.192 718 HD2 PHE 36 2HD PHE 36 -2.889 3.816 4.447 719 HE1 PHE 36 1HE PHE 36 0.207 2.164 0.999 720 HE2 PHE 36 2HE PHE 36 -2.787 4.926 2.253 721 HZ PHE 36 HZ PHE 36 -1.237 4.099 0.525 722 H THR 37 H THR 37 -2.699 0.292 7.726 723 HA THR 37 HA THR 37 -0.531 -1.119 8.800 724 HB THR 37 HB THR 37 -2.196 -1.583 10.729 725 HG1 THR 37 1HG THR 37 -4.098 -1.347 9.540 726 HG21 THR 37 3HG2 THR 37 -1.684 1.250 9.868 727 HG22 THR 37 1HG2 THR 37 -0.640 0.247 10.876 728 HG23 THR 37 2HG2 THR 37 -2.225 0.746 11.469 729 H ARG 38 H ARG 38 -3.616 -2.198 7.533 730 HA ARG 38 HA ARG 38 -3.498 -4.890 8.351 731 HB2 ARG 38 2HB ARG 38 -5.516 -3.733 7.432 732 HB3 ARG 38 1HB ARG 38 -4.782 -3.794 5.840 733 HG2 ARG 38 2HG ARG 38 -5.170 -6.315 7.403 734 HG3 ARG 38 1HG ARG 38 -6.527 -5.590 6.544 735 HD2 ARG 38 2HD ARG 38 -4.875 -5.559 4.521 736 HD3 ARG 38 1HD ARG 38 -4.009 -6.780 5.452 737 HE ARG 38 HE ARG 38 -6.664 -7.564 5.377 738 HH11 ARG 38 1HH1 ARG 38 -4.072 -7.025 3.102 739 HH12 ARG 38 2HH1 ARG 38 -4.660 -8.193 1.968 740 HH21 ARG 38 1HH2 ARG 38 -7.436 -9.100 3.885 741 HH22 ARG 38 2HH2 ARG 38 -6.569 -9.370 2.411 742 H LEU 39 H LEU 39 -2.328 -3.231 5.462 743 HA LEU 39 HA LEU 39 -1.436 -5.468 4.040 744 HB2 LEU 39 2HB LEU 39 -1.510 -2.801 3.537 745 HB3 LEU 39 1HB LEU 39 0.207 -3.011 3.816 746 HG LEU 39 HG LEU 39 -1.418 -4.539 1.780 747 HD11 LEU 39 1HD1 LEU 39 -0.378 -3.180 0.114 748 HD12 LEU 39 2HD1 LEU 39 0.611 -2.363 1.323 749 HD13 LEU 39 3HD1 LEU 39 -1.135 -2.112 1.296 750 HD21 LEU 39 3HD2 LEU 39 1.564 -4.436 2.213 751 HD22 LEU 39 1HD2 LEU 39 0.709 -5.358 0.977 752 HD23 LEU 39 2HD2 LEU 39 0.516 -5.775 2.680 753 H ARG 40 H ARG 40 0.384 -3.323 6.228 754 HA ARG 40 HA ARG 40 2.840 -4.614 6.129 755 HB2 ARG 40 2HB ARG 40 1.576 -3.270 8.526 756 HB3 ARG 40 1HB ARG 40 3.286 -3.623 8.335 757 HG2 ARG 40 2HG ARG 40 3.338 -2.120 6.376 758 HG3 ARG 40 1HG ARG 40 1.648 -1.712 6.686 759 HD2 ARG 40 2HD ARG 40 2.931 0.006 7.677 760 HD3 ARG 40 1HD ARG 40 2.368 -1.013 8.999 761 HE ARG 40 HE ARG 40 4.927 -1.844 8.107 762 HH11 ARG 40 1HH1 ARG 40 3.337 0.646 9.968 763 HH12 ARG 40 2HH1 ARG 40 4.720 0.960 10.961 764 HH21 ARG 40 1HH2 ARG 40 6.745 -1.431 9.414 765 HH22 ARG 40 2HH2 ARG 40 6.654 -0.219 10.647 766 H GLU 41 H GLU 41 0.334 -5.037 8.627 767 HA GLU 41 HA GLU 41 1.508 -7.156 9.977 768 HB2 GLU 41 2HB GLU 41 -1.424 -6.521 9.614 769 HB3 GLU 41 1HB GLU 41 -0.789 -7.658 10.797 770 HG2 GLU 41 2HG GLU 41 -0.145 -4.718 10.687 771 HG3 GLU 41 1HG GLU 41 -1.308 -5.473 11.775 772 H ALA 42 H ALA 42 -0.794 -7.243 7.274 773 HA ALA 42 HA ALA 42 -0.963 -10.080 7.172 774 HB1 ALA 42 1HB ALA 42 -2.692 -8.581 6.259 775 HB2 ALA 42 2HB ALA 42 -2.124 -9.759 5.076 776 HB3 ALA 42 3HB ALA 42 -1.569 -8.088 4.992 777 H ARG 43 H ARG 43 1.195 -7.731 5.779 778 HA ARG 43 HA ARG 43 2.763 -7.922 4.071 779 HB2 ARG 43 2HB ARG 43 4.677 -9.322 4.948 780 HB3 ARG 43 1HB ARG 43 4.072 -8.076 6.020 781 HG2 ARG 43 2HG ARG 43 4.427 -9.916 7.400 782 HG3 ARG 43 1HG ARG 43 2.689 -9.907 7.125 783 HD2 ARG 43 2HD ARG 43 3.851 -12.158 6.986 784 HD3 ARG 43 1HD ARG 43 2.813 -11.728 5.635 785 HE ARG 43 HE ARG 43 4.638 -11.761 4.265 786 HH11 ARG 43 1HH1 ARG 43 5.752 -11.576 7.577 787 HH12 ARG 43 2HH1 ARG 43 7.416 -11.799 7.156 788 HH21 ARG 43 1HH2 ARG 43 6.827 -12.052 3.722 789 HH22 ARG 43 2HH2 ARG 43 8.027 -12.069 4.971 790 H ALA 44 H ALA 44 0.650 -9.400 3.139 791 HA ALA 44 HA ALA 44 0.276 -10.829 1.387 792 HB1 ALA 44 1HB ALA 44 2.788 -10.403 0.921 793 HB2 ALA 44 2HB ALA 44 2.012 -11.809 0.194 794 HB3 ALA 44 3HB ALA 44 3.027 -12.004 1.624 795 H1 ALA 578 1HT ALA 578 -25.852 -19.473 -0.613 796 H2 ALA 578 2HT ALA 578 -26.135 -17.954 0.131 797 H3 ALA 578 3HT ALA 578 -27.085 -18.444 -1.211 798 HA ALA 578 HA ALA 578 -28.227 -19.987 -0.032 799 HB1 ALA 578 2HB ALA 578 -27.552 -20.814 2.154 800 HB2 ALA 578 3HB ALA 578 -26.152 -19.742 2.143 801 HB3 ALA 578 1HB ALA 578 -26.265 -21.056 0.973 802 H MET 579 H MET 579 -26.648 -17.523 2.010 803 HA MET 579 HA MET 579 -29.224 -16.185 2.360 804 HB2 MET 579 2HB MET 579 -27.528 -17.268 4.610 805 HB3 MET 579 1HB MET 579 -28.712 -15.990 4.852 806 HG2 MET 579 2HG MET 579 -29.360 -18.708 3.738 807 HG3 MET 579 1HG MET 579 -29.517 -18.263 5.435 808 HE1 MET 579 3HE MET 579 -32.141 -15.553 5.485 809 HE2 MET 579 1HE MET 579 -30.643 -16.194 6.161 810 HE3 MET 579 2HE MET 579 -32.135 -17.127 6.280 811 H ALA 580 H ALA 580 -25.964 -16.029 3.792 812 HA ALA 580 HA ALA 580 -25.336 -13.575 2.434 813 HB1 ALA 580 1HB ALA 580 -25.186 -12.147 4.372 814 HB2 ALA 580 2HB ALA 580 -25.712 -13.461 5.424 815 HB3 ALA 580 3HB ALA 580 -26.828 -12.778 4.242 816 H ASP 581 H ASP 581 -24.089 -16.021 2.427 817 HA ASP 581 HA ASP 581 -21.503 -15.349 3.624 818 HB2 ASP 581 2HB ASP 581 -23.039 -17.906 4.080 819 HB3 ASP 581 1HB ASP 581 -21.284 -17.844 4.236 820 H ILE 582 H ILE 582 -20.928 -14.827 1.469 821 HA ILE 582 HA ILE 582 -20.318 -17.186 -0.189 822 HB ILE 582 HB ILE 582 -21.226 -14.530 -1.307 823 HG12 ILE 582 2HG1 ILE 582 -23.049 -15.819 -0.129 824 HG13 ILE 582 1HG1 ILE 582 -23.336 -15.520 -1.838 825 HG21 ILE 582 1HG2 ILE 582 -21.390 -15.858 -3.424 826 HG22 ILE 582 2HG2 ILE 582 -20.563 -17.172 -2.587 827 HG23 ILE 582 3HG2 ILE 582 -19.751 -15.623 -2.817 828 HD11 ILE 582 3HD1 ILE 582 -23.984 -17.775 -1.167 829 HD12 ILE 582 1HD1 ILE 582 -22.326 -18.105 -0.670 830 HD13 ILE 582 2HD1 ILE 582 -22.693 -17.796 -2.367 831 H GLY 583 H GLY 583 -18.254 -17.286 -0.837 832 HA2 GLY 583 2HA GLY 583 -16.367 -15.355 0.072 833 HA3 GLY 583 1HA GLY 583 -16.020 -16.744 -0.946 834 H SER 584 H SER 584 -15.556 -16.405 -3.038 835 HA SER 584 HA SER 584 -16.610 -14.293 -4.596 836 HB2 SER 584 2HB SER 584 -14.474 -13.027 -4.928 837 HB3 SER 584 1HB SER 584 -15.153 -12.855 -3.309 838 HG SER 584 HG SER 584 -13.018 -14.553 -4.094 839 H ALA 585 H ALA 585 -16.512 -14.917 -6.666 840 HA ALA 585 HA ALA 585 -15.075 -17.297 -7.377 841 HB1 ALA 585 1HB ALA 585 -16.847 -15.427 -8.932 842 HB2 ALA 585 2HB ALA 585 -17.214 -17.050 -8.348 843 HB3 ALA 585 3HB ALA 585 -16.059 -16.825 -9.662 844 H SER 586 H SER 586 -15.136 -14.194 -9.130 845 HA SER 586 HA SER 586 -12.392 -13.660 -8.979 846 HB2 SER 586 2HB SER 586 -11.856 -15.554 -10.261 847 HB3 SER 586 1HB SER 586 -13.264 -15.360 -11.304 848 HG SER 586 HG SER 586 -12.272 -13.617 -12.282 849 H GLY 587 H GLY 587 -11.759 -11.838 -10.251 850 HA2 GLY 587 2HA GLY 587 -13.006 -10.543 -12.268 851 HA3 GLY 587 1HA GLY 587 -13.992 -10.105 -10.880 852 H TYR 588 H TYR 588 -11.823 -10.056 -9.013 853 HA TYR 588 HA TYR 588 -10.538 -8.419 -8.052 854 HB2 TYR 588 2HB TYR 588 -9.113 -9.609 -10.047 855 HB3 TYR 588 1HB TYR 588 -9.025 -7.933 -10.565 856 HD1 TYR 588 2HD TYR 588 -8.023 -6.232 -9.033 857 HD2 TYR 588 1HD TYR 588 -7.839 -10.396 -8.202 858 HE1 TYR 588 2HE TYR 588 -6.194 -5.825 -7.441 859 HE2 TYR 588 1HE TYR 588 -6.012 -10.004 -6.605 860 HH TYR 588 HH TYR 588 -4.198 -8.177 -6.295 861 H VAL 589 H VAL 589 -12.398 -7.061 -7.986 862 HA VAL 589 HA VAL 589 -13.306 -4.983 -8.041 863 HB VAL 589 HB VAL 589 -12.189 -3.139 -8.820 864 HG11 VAL 589 1HG1 VAL 589 -10.062 -3.298 -8.026 865 HG12 VAL 589 2HG1 VAL 589 -9.740 -4.819 -8.859 866 HG13 VAL 589 3HG1 VAL 589 -10.738 -4.807 -7.406 867 HG21 VAL 589 3HG2 VAL 589 -11.662 -4.711 -11.220 868 HG22 VAL 589 1HG2 VAL 589 -10.271 -3.758 -10.727 869 HG23 VAL 589 2HG2 VAL 589 -11.820 -2.972 -11.026 870 HA PRO 590 HA PRO 590 -16.091 -5.524 -11.456 871 HB2 PRO 590 2HB PRO 590 -17.672 -3.365 -11.228 872 HB3 PRO 590 1HB PRO 590 -17.651 -4.632 -9.996 873 HG2 PRO 590 2HG PRO 590 -16.243 -1.990 -10.007 874 HG3 PRO 590 1HG PRO 590 -17.171 -2.750 -8.701 875 HD2 PRO 590 2HD PRO 590 -14.452 -2.845 -8.838 876 HD3 PRO 590 1HD PRO 590 -15.426 -4.119 -8.088 877 H GLU 591 H GLU 591 -13.532 -4.325 -12.165 878 HA GLU 591 HA GLU 591 -12.509 -3.355 -13.919 879 HB2 GLU 591 2HB GLU 591 -14.027 -4.736 -15.216 880 HB3 GLU 591 1HB GLU 591 -15.263 -3.490 -15.150 881 HG2 GLU 591 2HG GLU 591 -13.960 -2.022 -16.503 882 HG3 GLU 591 1HG GLU 591 -12.564 -3.096 -16.413 883 H GLU 592 H GLU 592 -15.658 -1.651 -14.274 884 HA GLU 592 HA GLU 592 -14.653 0.751 -15.038 885 HB2 GLU 592 2HB GLU 592 -17.080 -0.034 -14.885 886 HB3 GLU 592 1HB GLU 592 -17.055 0.585 -13.238 887 HG2 GLU 592 2HG GLU 592 -16.347 2.795 -14.178 888 HG3 GLU 592 1HG GLU 592 -16.644 2.131 -15.784 889 H ILE 593 H ILE 593 -14.523 -0.505 -11.787 890 HA ILE 593 HA ILE 593 -14.130 2.092 -10.613 891 HB ILE 593 HB ILE 593 -14.985 -0.196 -9.508 892 HG12 ILE 593 2HG1 ILE 593 -13.447 1.370 -7.536 893 HG13 ILE 593 1HG1 ILE 593 -14.455 2.351 -8.586 894 HG21 ILE 593 1HG2 ILE 593 -12.767 -1.268 -9.796 895 HG22 ILE 593 2HG2 ILE 593 -13.336 -1.243 -8.125 896 HG23 ILE 593 3HG2 ILE 593 -12.100 -0.107 -8.650 897 HD11 ILE 593 3HD1 ILE 593 -16.361 0.818 -7.973 898 HD12 ILE 593 1HD1 ILE 593 -15.750 1.863 -6.694 899 HD13 ILE 593 2HD1 ILE 593 -15.296 0.165 -6.733 900 H TRP 594 H TRP 594 -12.131 -0.355 -12.026 901 HA TRP 594 HA TRP 594 -9.703 0.437 -10.769 902 HB2 TRP 594 2HB TRP 594 -9.930 -1.802 -11.687 903 HB3 TRP 594 1HB TRP 594 -10.187 -1.146 -13.299 904 HD1 TRP 594 HD TRP 594 -8.050 -0.135 -14.564 905 HE1 TRP 594 1HE TRP 594 -5.525 -0.505 -14.221 906 HE3 TRP 594 3HE TRP 594 -8.176 -2.260 -9.923 907 HZ2 TRP 594 2HZ TRP 594 -3.813 -1.579 -12.239 908 HZ3 TRP 594 3HZ TRP 594 -6.057 -2.931 -8.872 909 HH2 TRP 594 HH TRP 594 -3.926 -2.601 -10.005 910 H LYS 595 H LYS 595 -11.148 1.073 -13.971 911 HA LYS 595 HA LYS 595 -9.031 2.636 -14.935 912 HB2 LYS 595 2HB LYS 595 -10.639 3.638 -16.482 913 HB3 LYS 595 1HB LYS 595 -10.798 1.889 -16.417 914 HG2 LYS 595 2HG LYS 595 -12.668 2.350 -14.705 915 HG3 LYS 595 1HG LYS 595 -12.636 3.993 -15.348 916 HD2 LYS 595 2HD LYS 595 -12.981 1.500 -17.002 917 HD3 LYS 595 1HD LYS 595 -14.306 2.529 -16.453 918 HE2 LYS 595 2HE LYS 595 -13.233 4.432 -17.648 919 HE3 LYS 595 1HE LYS 595 -12.045 3.299 -18.292 920 HZ1 LYS 595 3HZ LYS 595 -14.272 3.929 -19.566 921 HZ2 LYS 595 1HZ LYS 595 -14.844 2.606 -18.683 922 HZ3 LYS 595 2HZ LYS 595 -13.527 2.420 -19.726 923 H LYS 596 H LYS 596 -11.904 3.476 -12.999 924 HA LYS 596 HA LYS 596 -11.377 6.238 -12.890 925 HB2 LYS 596 2HB LYS 596 -13.076 4.315 -11.344 926 HB3 LYS 596 1HB LYS 596 -12.860 5.944 -10.726 927 HG2 LYS 596 2HG LYS 596 -13.633 5.734 -13.573 928 HG3 LYS 596 1HG LYS 596 -14.844 5.230 -12.393 929 HD2 LYS 596 2HD LYS 596 -14.730 7.374 -11.291 930 HD3 LYS 596 1HD LYS 596 -13.408 7.885 -12.345 931 HE2 LYS 596 2HE LYS 596 -16.147 7.128 -13.345 932 HE3 LYS 596 1HE LYS 596 -15.677 8.779 -12.949 933 HZ1 LYS 596 3HZ LYS 596 -15.296 7.453 -15.346 934 HZ2 LYS 596 1HZ LYS 596 -13.756 7.606 -14.662 935 HZ3 LYS 596 2HZ LYS 596 -14.709 8.979 -14.917 936 H ALA 597 H ALA 597 -10.838 3.696 -10.384 937 HA ALA 597 HA ALA 597 -9.618 5.186 -8.456 938 HB1 ALA 597 1HB ALA 597 -8.234 2.965 -8.120 939 HB2 ALA 597 2HB ALA 597 -9.370 2.352 -9.321 940 HB3 ALA 597 3HB ALA 597 -9.968 3.024 -7.806 941 H GLU 598 H GLU 598 -8.228 3.881 -11.398 942 HA GLU 598 HA GLU 598 -5.528 4.464 -10.872 943 HB2 GLU 598 2HB GLU 598 -7.103 3.946 -13.366 944 HB3 GLU 598 1HB GLU 598 -5.450 4.528 -13.509 945 HG2 GLU 598 2HG GLU 598 -4.767 2.600 -12.042 946 HG3 GLU 598 1HG GLU 598 -6.406 1.981 -12.235 947 H GLU 599 H GLU 599 -8.140 6.435 -12.116 948 HA GLU 599 HA GLU 599 -6.546 8.599 -13.030 949 HB2 GLU 599 2HB GLU 599 -9.420 8.562 -12.089 950 HB3 GLU 599 1HB GLU 599 -8.643 9.948 -12.836 951 HG2 GLU 599 2HG GLU 599 -8.165 8.424 -14.810 952 HG3 GLU 599 1HG GLU 599 -9.299 7.297 -14.070 953 H ALA 600 H ALA 600 -8.164 7.951 -9.931 954 HA ALA 600 HA ALA 600 -7.596 10.328 -8.625 955 HB1 ALA 600 1HB ALA 600 -9.094 8.754 -7.649 956 HB2 ALA 600 2HB ALA 600 -7.750 8.981 -6.531 957 HB3 ALA 600 3HB ALA 600 -7.827 7.533 -7.536 958 H VAL 601 H VAL 601 -5.535 7.519 -9.134 959 HA VAL 601 HA VAL 601 -3.460 8.496 -7.388 960 HB VAL 601 HB VAL 601 -3.244 6.277 -9.427 961 HG11 VAL 601 1HG1 VAL 601 -1.083 6.905 -8.722 962 HG12 VAL 601 2HG1 VAL 601 -1.507 5.473 -7.782 963 HG13 VAL 601 3HG1 VAL 601 -1.598 7.072 -7.043 964 HG21 VAL 601 3HG2 VAL 601 -3.654 4.828 -7.380 965 HG22 VAL 601 1HG2 VAL 601 -5.052 5.683 -8.029 966 HG23 VAL 601 2HG2 VAL 601 -4.239 6.292 -6.589 967 H ASN 602 H ASN 602 -3.885 8.250 -10.902 968 HA ASN 602 HA ASN 602 -1.342 9.328 -11.557 969 HB2 ASN 602 2HB ASN 602 -3.924 9.028 -13.082 970 HB3 ASN 602 1HB ASN 602 -2.540 9.854 -13.794 971 HD21 ASN 602 1HD2 ASN 602 -3.503 6.824 -12.253 972 HD22 ASN 602 2HD2 ASN 602 -2.418 5.821 -13.147 973 H GLU 603 H GLU 603 -4.506 10.755 -10.973 974 HA GLU 603 HA GLU 603 -3.792 13.389 -11.781 975 HB2 GLU 603 2HB GLU 603 -6.031 12.306 -10.076 976 HB3 GLU 603 1HB GLU 603 -5.858 14.020 -10.428 977 HG2 GLU 603 2HG GLU 603 -6.150 13.643 -12.764 978 HG3 GLU 603 1HG GLU 603 -6.085 11.895 -12.544 979 H VAL 604 H VAL 604 -4.271 12.032 -8.476 980 HA VAL 604 HA VAL 604 -3.372 14.307 -7.146 981 HB VAL 604 HB VAL 604 -4.659 12.450 -6.106 982 HG11 VAL 604 1HG1 VAL 604 -3.742 10.420 -5.531 983 HG12 VAL 604 2HG1 VAL 604 -2.087 11.026 -5.589 984 HG13 VAL 604 3HG1 VAL 604 -2.964 10.714 -7.086 985 HG21 VAL 604 3HG2 VAL 604 -3.389 14.255 -4.859 986 HG22 VAL 604 1HG2 VAL 604 -2.143 13.039 -4.577 987 HG23 VAL 604 2HG2 VAL 604 -3.769 12.796 -3.955 988 H LYS 605 H LYS 605 -1.618 11.702 -8.574 989 HA LYS 605 HA LYS 605 0.863 12.192 -7.224 990 HB2 LYS 605 2HB LYS 605 0.090 10.015 -8.253 991 HB3 LYS 605 1HB LYS 605 0.487 10.705 -9.818 992 HG2 LYS 605 2HG LYS 605 2.723 10.487 -9.490 993 HG3 LYS 605 1HG LYS 605 2.609 10.780 -7.754 994 HD2 LYS 605 2HD LYS 605 3.274 8.477 -8.198 995 HD3 LYS 605 1HD LYS 605 1.693 8.536 -7.429 996 HE2 LYS 605 2HE LYS 605 1.505 6.934 -9.141 997 HE3 LYS 605 1HE LYS 605 0.701 8.370 -9.758 998 HZ1 LYS 605 3HZ LYS 605 3.005 8.851 -10.792 999 HZ2 LYS 605 1HZ LYS 605 1.988 7.718 -11.528 1000 HZ3 LYS 605 2HZ LYS 605 3.275 7.198 -10.563 1001 H ARG 606 H ARG 606 -0.378 12.911 -10.463 1002 HA ARG 606 HA ARG 606 1.948 14.169 -11.420 1003 HB2 ARG 606 2HB ARG 606 -0.007 13.349 -12.792 1004 HB3 ARG 606 1HB ARG 606 -0.874 14.793 -12.289 1005 HG2 ARG 606 2HG ARG 606 -0.031 15.402 -14.352 1006 HG3 ARG 606 1HG ARG 606 1.159 16.075 -13.239 1007 HD2 ARG 606 2HD ARG 606 2.261 13.660 -13.632 1008 HD3 ARG 606 1HD ARG 606 1.408 13.830 -15.163 1009 HE ARG 606 HE ARG 606 3.759 15.220 -14.339 1010 HH11 ARG 606 1HH1 ARG 606 0.877 15.520 -16.292 1011 HH12 ARG 606 2HH1 ARG 606 1.580 16.680 -17.368 1012 HH21 ARG 606 1HH2 ARG 606 4.679 16.744 -15.753 1013 HH22 ARG 606 2HH2 ARG 606 3.736 17.375 -17.063 1014 H GLN 607 H GLN 607 -0.729 15.417 -9.486 1015 HA GLN 607 HA GLN 607 0.024 18.156 -9.917 1016 HB2 GLN 607 2HB GLN 607 -1.636 18.734 -8.242 1017 HB3 GLN 607 1HB GLN 607 -2.292 17.620 -9.431 1018 HG2 GLN 607 2HG GLN 607 -1.839 15.785 -7.778 1019 HG3 GLN 607 1HG GLN 607 -1.495 17.044 -6.595 1020 HE21 GLN 607 1HE2 GLN 607 -3.969 15.964 -8.881 1021 HE22 GLN 607 2HE2 GLN 607 -5.320 16.474 -7.935 1022 H ALA 608 H ALA 608 0.437 15.928 -7.097 1023 HA ALA 608 HA ALA 608 1.589 17.625 -5.286 1024 HB1 ALA 608 1HB ALA 608 1.107 15.211 -4.941 1025 HB2 ALA 608 2HB ALA 608 2.690 15.715 -4.349 1026 HB3 ALA 608 3HB ALA 608 2.559 14.838 -5.870 1027 H MET 609 H MET 609 2.951 16.319 -8.202 1028 HA MET 609 HA MET 609 5.664 16.962 -7.698 1029 HB2 MET 609 2HB MET 609 4.842 15.416 -9.504 1030 HB3 MET 609 1HB MET 609 4.305 16.832 -10.398 1031 HG2 MET 609 2HG MET 609 6.684 17.647 -10.313 1032 HG3 MET 609 1HG MET 609 7.119 16.059 -9.686 1033 HE1 MET 609 3HE MET 609 7.148 17.956 -13.103 1034 HE2 MET 609 1HE MET 609 5.549 18.109 -12.374 1035 HE3 MET 609 2HE MET 609 5.753 17.201 -13.872 1036 H THR 610 H THR 610 2.964 18.783 -9.050 1037 HA THR 610 HA THR 610 4.486 21.025 -9.919 1038 HB THR 610 HB THR 610 1.574 20.892 -9.088 1039 HG1 THR 610 1HG THR 610 2.358 19.496 -10.875 1040 HG21 THR 610 3HG2 THR 610 2.250 23.185 -9.217 1041 HG22 THR 610 1HG2 THR 610 1.285 22.789 -10.639 1042 HG23 THR 610 2HG2 THR 610 3.041 22.908 -10.770 1043 H GLU 611 H GLU 611 2.855 20.148 -6.929 1044 HA GLU 611 HA GLU 611 3.167 22.584 -5.554 1045 HB2 GLU 611 2HB GLU 611 1.693 20.993 -4.610 1046 HB3 GLU 611 1HB GLU 611 2.910 19.726 -4.638 1047 HG2 GLU 611 2HG GLU 611 4.041 20.607 -2.796 1048 HG3 GLU 611 1HG GLU 611 3.238 22.169 -2.938 1049 H LEU 612 H LEU 612 5.318 20.036 -6.316 1050 HA LEU 612 HA LEU 612 7.418 20.922 -4.494 1051 HB2 LEU 612 2HB LEU 612 6.929 18.548 -6.185 1052 HB3 LEU 612 1HB LEU 612 8.611 19.014 -6.026 1053 HG LEU 612 HG LEU 612 7.011 18.823 -3.517 1054 HD11 LEU 612 1HD1 LEU 612 7.842 16.298 -3.584 1055 HD12 LEU 612 2HD1 LEU 612 7.553 16.522 -5.308 1056 HD13 LEU 612 3HD1 LEU 612 6.249 16.789 -4.155 1057 HD21 LEU 612 3HD2 LEU 612 9.847 18.159 -4.300 1058 HD22 LEU 612 1HD2 LEU 612 9.171 17.885 -2.696 1059 HD23 LEU 612 2HD2 LEU 612 9.289 19.524 -3.335 1060 H GLN 613 H GLN 613 6.932 20.589 -7.992 1061 HA GLN 613 HA GLN 613 9.356 21.670 -8.826 1062 HB2 GLN 613 2HB GLN 613 7.546 20.477 -10.197 1063 HB3 GLN 613 1HB GLN 613 6.777 22.051 -10.332 1064 HG2 GLN 613 2HG GLN 613 8.048 21.771 -12.287 1065 HG3 GLN 613 1HG GLN 613 8.951 22.901 -11.280 1066 HE21 GLN 613 1HE2 GLN 613 10.929 22.319 -10.481 1067 HE22 GLN 613 2HE2 GLN 613 11.753 20.873 -10.945 1068 H LYS 614 H LYS 614 6.626 23.226 -7.431 1069 HA LYS 614 HA LYS 614 7.983 25.771 -7.493 1070 HB2 LYS 614 2HB LYS 614 5.967 26.946 -8.478 1071 HB3 LYS 614 1HB LYS 614 6.938 26.016 -9.609 1072 HG2 LYS 614 2HG LYS 614 5.335 24.208 -9.556 1073 HG3 LYS 614 1HG LYS 614 4.379 25.057 -8.343 1074 HD2 LYS 614 2HD LYS 614 4.979 26.268 -11.034 1075 HD3 LYS 614 1HD LYS 614 3.604 25.193 -10.783 1076 HE2 LYS 614 2HE LYS 614 2.651 27.277 -10.477 1077 HE3 LYS 614 1HE LYS 614 3.027 26.806 -8.823 1078 HZ1 LYS 614 3HZ LYS 614 5.175 28.203 -10.122 1079 HZ2 LYS 614 1HZ LYS 614 4.462 28.481 -8.612 1080 HZ3 LYS 614 2HZ LYS 614 3.763 29.126 -10.011 1081 H ALA 615 H ALA 615 7.724 24.708 -5.232 1082 HA ALA 615 HA ALA 615 5.216 24.808 -3.935 1083 HB1 ALA 615 1HB ALA 615 7.224 23.537 -3.147 1084 HB2 ALA 615 2HB ALA 615 6.418 24.487 -1.898 1085 HB3 ALA 615 3HB ALA 615 7.916 25.072 -2.623 Start of MODEL 3 1 H1 GLY -7 1HT GLY -7 -32.226 11.812 -13.522 2 H2 GLY -7 2HT GLY -7 -33.039 11.505 -14.973 3 H3 GLY -7 3HT GLY -7 -32.449 10.218 -14.046 4 HA2 GLY -7 1HA GLY -7 -34.978 10.986 -13.978 5 HA3 GLY -7 2HA GLY -7 -34.162 10.245 -12.610 6 H ALA -6 H ALA -6 -35.293 13.246 -14.003 7 HA ALA -6 HA ALA -6 -35.771 15.281 -13.117 8 HB1 ALA -6 1HB ALA -6 -36.398 15.222 -10.617 9 HB2 ALA -6 2HB ALA -6 -36.156 13.480 -10.749 10 HB3 ALA -6 3HB ALA -6 -37.367 14.279 -11.750 11 H MET -5 H MET -5 -34.234 14.153 -10.139 12 HA MET -5 HA MET -5 -32.134 16.193 -10.522 13 HB2 MET -5 2HB MET -5 -33.743 16.524 -8.616 14 HB3 MET -5 1HB MET -5 -33.116 15.042 -7.907 15 HG2 MET -5 2HG MET -5 -30.842 16.112 -7.950 16 HG3 MET -5 1HG MET -5 -31.647 17.617 -8.391 17 HE1 MET -5 3HE MET -5 -31.580 15.478 -4.380 18 HE2 MET -5 1HE MET -5 -30.127 16.003 -5.230 19 HE3 MET -5 2HE MET -5 -31.197 14.808 -5.966 20 H GLY -4 H GLY -4 -32.667 13.093 -8.825 21 HA2 GLY -4 2HA GLY -4 -29.948 12.482 -8.484 22 HA3 GLY -4 1HA GLY -4 -31.262 11.318 -8.455 23 H SER -3 H SER -3 -29.189 10.202 -9.412 24 HA SER -3 HA SER -3 -29.770 9.703 -12.159 25 HB2 SER -3 2HB SER -3 -27.176 11.117 -11.495 26 HB3 SER -3 1HB SER -3 -27.505 10.315 -13.031 27 HG SER -3 HG SER -3 -29.034 11.811 -13.496 28 H MET -2 H MET -2 -27.953 8.198 -13.092 29 HA MET -2 HA MET -2 -26.743 6.545 -10.998 30 HB2 MET -2 2HB MET -2 -28.427 5.334 -13.196 31 HB3 MET -2 1HB MET -2 -27.676 4.502 -11.842 32 HG2 MET -2 2HG MET -2 -29.887 4.631 -11.199 33 HG3 MET -2 1HG MET -2 -29.162 6.008 -10.371 34 HE1 MET -2 3HE MET -2 -30.587 5.750 -14.306 35 HE2 MET -2 1HE MET -2 -32.232 5.950 -13.704 36 HE3 MET -2 2HE MET -2 -31.233 4.622 -13.113 37 H SER -1 H SER -1 -24.934 5.403 -11.640 38 HA SER -1 HA SER -1 -24.109 5.473 -14.436 39 HB2 SER -1 2HB SER -1 -21.881 6.429 -13.831 40 HB3 SER -1 1HB SER -1 -23.208 7.570 -13.618 41 HG SER -1 HG SER -1 -23.173 6.736 -11.340 42 H HIS 2 H HIS 2 -22.085 5.023 -11.569 43 HA HIS 2 HA HIS 2 -22.286 2.326 -11.138 44 HB2 HIS 2 2HB HIS 2 -20.109 1.640 -12.477 45 HB3 HIS 2 1HB HIS 2 -21.687 1.585 -13.242 46 HD1 HIS 2 1HD HIS 2 -21.858 2.752 -15.411 47 HD2 HIS 2 2HD HIS 2 -18.694 4.192 -13.133 48 HE1 HIS 2 1HE HIS 2 -20.668 4.407 -16.882 49 HE2 HIS 2 2HE HIS 2 -18.706 5.199 -15.513 50 H ILE 3 H ILE 3 -19.970 4.949 -11.612 51 HA ILE 3 HA ILE 3 -19.022 4.638 -8.890 52 HB ILE 3 HB ILE 3 -17.147 4.314 -11.245 53 HG12 ILE 3 2HG1 ILE 3 -16.406 2.368 -9.590 54 HG13 ILE 3 1HG1 ILE 3 -18.050 2.545 -8.998 55 HG21 ILE 3 1HG2 ILE 3 -15.326 4.297 -9.515 56 HG22 ILE 3 2HG2 ILE 3 -16.504 4.940 -8.372 57 HG23 ILE 3 3HG2 ILE 3 -16.067 5.870 -9.804 58 HD11 ILE 3 3HD1 ILE 3 -18.742 1.236 -10.637 59 HD12 ILE 3 1HD1 ILE 3 -17.098 1.126 -11.259 60 HD13 ILE 3 2HD1 ILE 3 -18.167 2.406 -11.823 61 H GLN 4 H GLN 4 -17.899 6.506 -8.128 62 HA GLN 4 HA GLN 4 -17.684 8.787 -9.917 63 HB2 GLN 4 2HB GLN 4 -19.945 8.424 -8.202 64 HB3 GLN 4 1HB GLN 4 -18.999 9.759 -7.565 65 HG2 GLN 4 2HG GLN 4 -20.534 10.740 -9.019 66 HG3 GLN 4 1HG GLN 4 -19.022 10.700 -9.922 67 HE21 GLN 4 1HE2 GLN 4 -22.147 9.165 -9.515 68 HE22 GLN 4 2HE2 GLN 4 -22.220 8.464 -11.093 69 H ILE 5 H ILE 5 -15.632 9.424 -9.567 70 HA ILE 5 HA ILE 5 -14.073 8.875 -7.341 71 HB ILE 5 HB ILE 5 -13.841 11.260 -9.181 72 HG12 ILE 5 2HG1 ILE 5 -13.723 9.237 -10.474 73 HG13 ILE 5 1HG1 ILE 5 -12.082 9.841 -10.292 74 HG21 ILE 5 1HG2 ILE 5 -11.397 11.118 -8.490 75 HG22 ILE 5 2HG2 ILE 5 -11.944 10.100 -7.158 76 HG23 ILE 5 3HG2 ILE 5 -12.525 11.759 -7.296 77 HD11 ILE 5 3HD1 ILE 5 -11.824 7.591 -9.920 78 HD12 ILE 5 1HD1 ILE 5 -13.363 7.446 -9.069 79 HD13 ILE 5 2HD1 ILE 5 -11.984 8.210 -8.277 80 HA PRO 6 HA PRO 6 -16.421 11.548 -4.496 81 HB2 PRO 6 2HB PRO 6 -14.454 10.516 -2.535 82 HB3 PRO 6 1HB PRO 6 -16.219 10.504 -2.472 83 HG2 PRO 6 2HG PRO 6 -14.843 8.265 -2.940 84 HG3 PRO 6 1HG PRO 6 -16.384 8.585 -3.758 85 HD2 PRO 6 2HD PRO 6 -13.589 8.864 -4.803 86 HD3 PRO 6 1HD PRO 6 -15.033 8.218 -5.602 87 HA PRO 7 HA PRO 7 -13.617 15.049 -4.603 88 HB2 PRO 7 2HB PRO 7 -15.324 16.195 -2.466 89 HB3 PRO 7 1HB PRO 7 -14.941 16.840 -4.065 90 HG2 PRO 7 2HG PRO 7 -17.362 15.848 -3.506 91 HG3 PRO 7 1HG PRO 7 -16.617 15.631 -5.100 92 HD2 PRO 7 2HD PRO 7 -16.854 13.684 -2.837 93 HD3 PRO 7 1HD PRO 7 -17.039 13.420 -4.584 94 H GLY 8 H GLY 8 -12.123 16.183 -3.186 95 HA2 GLY 8 2HA GLY 8 -10.833 16.469 -1.288 96 HA3 GLY 8 1HA GLY 8 -11.928 15.412 -0.417 97 H LEU 9 H LEU 9 -11.470 13.286 -2.576 98 HA LEU 9 HA LEU 9 -9.624 11.743 -1.240 99 HB2 LEU 9 2HB LEU 9 -11.149 11.484 -3.597 100 HB3 LEU 9 1HB LEU 9 -9.498 11.156 -4.075 101 HG LEU 9 HG LEU 9 -9.513 9.555 -1.988 102 HD11 LEU 9 1HD1 LEU 9 -12.427 9.432 -2.693 103 HD12 LEU 9 2HD1 LEU 9 -11.829 10.406 -1.350 104 HD13 LEU 9 3HD1 LEU 9 -11.577 8.663 -1.356 105 HD21 LEU 9 3HD2 LEU 9 -10.951 8.879 -4.554 106 HD22 LEU 9 1HD2 LEU 9 -10.245 7.721 -3.426 107 HD23 LEU 9 2HD2 LEU 9 -9.206 8.843 -4.306 108 H THR 10 H THR 10 -9.034 13.661 -4.179 109 HA THR 10 HA THR 10 -6.355 13.137 -4.521 110 HB THR 10 HB THR 10 -6.429 15.717 -5.324 111 HG1 THR 10 1HG THR 10 -8.418 16.243 -4.571 112 HG21 THR 10 3HG2 THR 10 -6.081 14.204 -7.025 113 HG22 THR 10 1HG2 THR 10 -7.671 14.856 -7.422 114 HG23 THR 10 2HG2 THR 10 -7.535 13.279 -6.645 115 H GLU 11 H GLU 11 -7.832 15.620 -2.471 116 HA GLU 11 HA GLU 11 -5.490 16.872 -1.610 117 HB2 GLU 11 2HB GLU 11 -7.903 17.611 -1.257 118 HB3 GLU 11 1HB GLU 11 -7.942 16.501 0.106 119 HG2 GLU 11 2HG GLU 11 -5.932 18.720 -0.170 120 HG3 GLU 11 1HG GLU 11 -7.472 18.892 0.673 121 H LEU 12 H LEU 12 -7.129 13.988 -0.390 122 HA LEU 12 HA LEU 12 -5.490 13.706 1.921 123 HB2 LEU 12 2HB LEU 12 -7.509 12.045 0.513 124 HB3 LEU 12 1HB LEU 12 -6.390 11.204 1.567 125 HG LEU 12 HG LEU 12 -8.523 11.771 2.669 126 HD11 LEU 12 1HD1 LEU 12 -7.589 12.325 4.712 127 HD12 LEU 12 2HD1 LEU 12 -6.395 13.405 3.997 128 HD13 LEU 12 3HD1 LEU 12 -6.214 11.659 3.835 129 HD21 LEU 12 3HD2 LEU 12 -8.979 14.110 3.268 130 HD22 LEU 12 1HD2 LEU 12 -9.032 13.843 1.526 131 HD23 LEU 12 2HD2 LEU 12 -7.628 14.620 2.256 132 H LEU 13 H LEU 13 -5.428 12.271 -1.318 133 HA LEU 13 HA LEU 13 -3.175 10.605 -0.757 134 HB2 LEU 13 2HB LEU 13 -4.409 11.423 -3.384 135 HB3 LEU 13 1HB LEU 13 -3.197 10.172 -3.190 136 HG LEU 13 HG LEU 13 -5.816 9.982 -1.732 137 HD11 LEU 13 1HD1 LEU 13 -5.307 9.188 -4.599 138 HD12 LEU 13 2HD1 LEU 13 -6.486 10.361 -4.013 139 HD13 LEU 13 3HD1 LEU 13 -6.686 8.649 -3.639 140 HD21 LEU 13 3HD2 LEU 13 -4.070 7.816 -2.881 141 HD22 LEU 13 1HD2 LEU 13 -5.368 7.656 -1.700 142 HD23 LEU 13 2HD2 LEU 13 -3.864 8.457 -1.251 143 H GLN 14 H GLN 14 -3.638 13.824 -2.068 144 HA GLN 14 HA GLN 14 -1.085 14.149 -3.222 145 HB2 GLN 14 2HB GLN 14 -3.152 15.634 -3.523 146 HB3 GLN 14 1HB GLN 14 -2.691 16.393 -2.008 147 HG2 GLN 14 2HG GLN 14 -0.382 16.674 -3.202 148 HG3 GLN 14 1HG GLN 14 -1.341 16.467 -4.666 149 HE21 GLN 14 1HE2 GLN 14 -1.974 18.308 -5.536 150 HE22 GLN 14 2HE2 GLN 14 -2.309 19.778 -4.697 151 H GLY 15 H GLY 15 -2.312 14.860 0.028 152 HA2 GLY 15 2HA GLY 15 -0.086 16.185 1.059 153 HA3 GLY 15 1HA GLY 15 -1.190 15.203 2.012 154 H TYR 16 H TYR 16 -0.733 12.719 0.812 155 HA TYR 16 HA TYR 16 1.638 11.926 2.182 156 HB2 TYR 16 2HB TYR 16 -0.348 10.468 1.959 157 HB3 TYR 16 1HB TYR 16 -0.053 10.352 0.228 158 HD1 TYR 16 2HD TYR 16 1.914 9.923 3.380 159 HD2 TYR 16 1HD TYR 16 0.946 8.371 -0.459 160 HE1 TYR 16 2HE TYR 16 3.386 7.996 3.800 161 HE2 TYR 16 1HE TYR 16 2.420 6.442 -0.055 162 HH TYR 16 HH TYR 16 4.377 5.887 1.359 163 H THR 17 H THR 17 0.753 12.082 -1.253 164 HA THR 17 HA THR 17 3.084 11.075 -2.346 165 HB THR 17 HB THR 17 1.560 13.293 -3.672 166 HG1 THR 17 1HG THR 17 -0.107 12.099 -3.040 167 HG21 THR 17 3HG2 THR 17 2.027 10.855 -5.173 168 HG22 THR 17 1HG2 THR 17 3.527 11.595 -4.615 169 HG23 THR 17 2HG2 THR 17 2.397 12.528 -5.593 170 H VAL 18 H VAL 18 2.317 14.573 -2.052 171 HA VAL 18 HA VAL 18 4.687 15.605 -2.963 172 HB VAL 18 HB VAL 18 4.304 17.575 -1.510 173 HG11 VAL 18 1HG1 VAL 18 3.184 17.437 -3.643 174 HG12 VAL 18 2HG1 VAL 18 2.116 18.185 -2.452 175 HG13 VAL 18 3HG1 VAL 18 1.871 16.505 -2.920 176 HG21 VAL 18 3HG2 VAL 18 2.275 15.755 -0.256 177 HG22 VAL 18 1HG2 VAL 18 2.075 17.505 -0.212 178 HG23 VAL 18 2HG2 VAL 18 3.495 16.759 0.518 179 H GLU 19 H GLU 19 4.105 14.021 0.092 180 HA GLU 19 HA GLU 19 6.507 15.016 1.316 181 HB2 GLU 19 2HB GLU 19 4.267 14.102 2.404 182 HB3 GLU 19 1HB GLU 19 5.134 12.573 2.355 183 HG2 GLU 19 2HG GLU 19 6.872 13.421 3.735 184 HG3 GLU 19 1HG GLU 19 6.262 15.068 3.599 185 H VAL 20 H VAL 20 5.534 11.918 -0.155 186 HA VAL 20 HA VAL 20 7.864 10.496 0.406 187 HB VAL 20 HB VAL 20 6.371 10.138 -2.187 188 HG11 VAL 20 1HG1 VAL 20 7.067 7.886 -2.058 189 HG12 VAL 20 2HG1 VAL 20 7.561 8.052 -0.376 190 HG13 VAL 20 3HG1 VAL 20 8.486 8.846 -1.651 191 HG21 VAL 20 3HG2 VAL 20 5.461 9.531 0.597 192 HG22 VAL 20 1HG2 VAL 20 5.011 8.449 -0.722 193 HG23 VAL 20 2HG2 VAL 20 4.546 10.146 -0.778 194 H LEU 21 H LEU 21 7.146 12.706 -2.241 195 HA LEU 21 HA LEU 21 9.572 12.198 -3.667 196 HB2 LEU 21 2HB LEU 21 7.753 14.590 -3.870 197 HB3 LEU 21 1HB LEU 21 8.902 14.034 -5.073 198 HG LEU 21 HG LEU 21 6.345 12.665 -4.239 199 HD11 LEU 21 1HD1 LEU 21 7.243 13.979 -6.794 200 HD12 LEU 21 2HD1 LEU 21 5.933 14.487 -5.727 201 HD13 LEU 21 3HD1 LEU 21 5.793 12.988 -6.644 202 HD21 LEU 21 3HD2 LEU 21 6.959 11.057 -6.094 203 HD22 LEU 21 1HD2 LEU 21 7.885 10.910 -4.601 204 HD23 LEU 21 2HD2 LEU 21 8.593 11.715 -6.001 205 H ARG 22 H ARG 22 8.539 14.555 -1.261 206 HA ARG 22 HA ARG 22 10.990 16.081 -1.506 207 HB2 ARG 22 2HB ARG 22 8.645 16.307 0.374 208 HB3 ARG 22 1HB ARG 22 10.032 17.387 0.409 209 HG2 ARG 22 2HG ARG 22 9.552 18.150 -1.828 210 HG3 ARG 22 1HG ARG 22 8.226 16.996 -1.968 211 HD2 ARG 22 2HD ARG 22 8.411 19.342 -0.089 212 HD3 ARG 22 1HD ARG 22 7.325 19.171 -1.468 213 HE ARG 22 HE ARG 22 6.688 17.050 0.078 214 HH11 ARG 22 1HH1 ARG 22 6.906 20.484 0.692 215 HH12 ARG 22 2HH1 ARG 22 5.751 20.450 1.979 216 HH21 ARG 22 1HH2 ARG 22 5.174 17.011 1.778 217 HH22 ARG 22 2HH2 ARG 22 4.766 18.483 2.593 218 H GLN 23 H GLN 23 9.842 13.445 0.444 219 HA GLN 23 HA GLN 23 12.083 13.810 2.327 220 HB2 GLN 23 2HB GLN 23 9.540 12.201 2.537 221 HB3 GLN 23 1HB GLN 23 10.861 12.061 3.685 222 HG2 GLN 23 2HG GLN 23 9.357 14.598 3.090 223 HG3 GLN 23 1HG GLN 23 9.060 13.535 4.465 224 HE21 GLN 23 1HE2 GLN 23 11.024 16.017 3.157 225 HE22 GLN 23 2HE2 GLN 23 12.065 16.223 4.522 226 H GLN 24 H GLN 24 10.549 11.416 0.217 227 HA GLN 24 HA GLN 24 11.325 9.509 -0.738 228 HB2 GLN 24 2HB GLN 24 14.049 10.683 -0.157 229 HB3 GLN 24 1HB GLN 24 13.709 9.371 -1.274 230 HG2 GLN 24 2HG GLN 24 12.450 12.071 -1.601 231 HG3 GLN 24 1HG GLN 24 14.056 11.713 -2.233 232 HE21 GLN 24 1HE2 GLN 24 11.944 12.465 -3.856 233 HE22 GLN 24 2HE2 GLN 24 11.511 11.134 -4.868 234 HA PRO 25 HA PRO 25 12.192 7.561 3.361 235 HB2 PRO 25 2HB PRO 25 9.977 6.088 3.598 236 HB3 PRO 25 1HB PRO 25 9.950 7.827 3.922 237 HG2 PRO 25 2HG PRO 25 9.088 6.350 1.463 238 HG3 PRO 25 1HG PRO 25 8.273 7.675 2.312 239 HD2 PRO 25 2HD PRO 25 9.830 8.011 0.069 240 HD3 PRO 25 1HD PRO 25 9.543 9.278 1.277 241 HA PRO 26 HA PRO 26 13.660 3.701 1.777 242 HB2 PRO 26 2HB PRO 26 12.957 2.207 4.188 243 HB3 PRO 26 1HB PRO 26 14.548 2.714 3.620 244 HG2 PRO 26 2HG PRO 26 13.361 3.778 5.816 245 HG3 PRO 26 1HG PRO 26 14.482 4.690 4.789 246 HD2 PRO 26 2HD PRO 26 11.484 4.748 4.843 247 HD3 PRO 26 1HD PRO 26 12.637 6.093 4.710 248 H ASP 27 H ASP 27 10.491 3.545 3.336 249 HA ASP 27 HA ASP 27 9.657 1.560 1.336 250 HB2 ASP 27 2HB ASP 27 9.066 1.495 4.299 251 HB3 ASP 27 1HB ASP 27 8.234 0.499 3.109 252 H LEU 28 H LEU 28 7.472 1.571 0.802 253 HA LEU 28 HA LEU 28 6.225 4.197 1.074 254 HB2 LEU 28 2HB LEU 28 5.552 1.845 -0.695 255 HB3 LEU 28 1HB LEU 28 4.716 3.386 -0.722 256 HG LEU 28 HG LEU 28 7.670 3.171 -1.271 257 HD11 LEU 28 1HD1 LEU 28 7.058 3.261 -3.679 258 HD12 LEU 28 2HD1 LEU 28 5.385 2.947 -3.221 259 HD13 LEU 28 3HD1 LEU 28 6.631 1.743 -2.890 260 HD21 LEU 28 3HD2 LEU 28 7.184 5.294 -2.513 261 HD22 LEU 28 1HD2 LEU 28 6.969 5.393 -0.765 262 HD23 LEU 28 2HD2 LEU 28 5.563 5.252 -1.820 263 H VAL 29 H VAL 29 5.515 0.773 1.615 264 HA VAL 29 HA VAL 29 2.870 1.116 2.513 265 HB VAL 29 HB VAL 29 3.790 -1.059 1.793 266 HG11 VAL 29 1HG1 VAL 29 5.983 -0.781 2.995 267 HG12 VAL 29 2HG1 VAL 29 5.225 -2.365 3.156 268 HG13 VAL 29 3HG1 VAL 29 5.134 -1.208 4.482 269 HG21 VAL 29 3HG2 VAL 29 1.737 -0.977 3.085 270 HG22 VAL 29 1HG2 VAL 29 2.659 -1.033 4.587 271 HG23 VAL 29 2HG2 VAL 29 2.670 -2.417 3.495 272 H GLU 30 H GLU 30 5.941 0.933 4.292 273 HA GLU 30 HA GLU 30 4.750 1.120 6.867 274 HB2 GLU 30 2HB GLU 30 7.566 1.866 6.056 275 HB3 GLU 30 1HB GLU 30 7.004 1.510 7.683 276 HG2 GLU 30 2HG GLU 30 6.432 -0.793 6.883 277 HG3 GLU 30 1HG GLU 30 7.247 -0.395 5.371 278 H PHE 31 H PHE 31 6.413 3.482 4.804 279 HA PHE 31 HA PHE 31 6.152 5.716 6.436 280 HB2 PHE 31 2HB PHE 31 7.544 5.554 4.382 281 HB3 PHE 31 1HB PHE 31 6.075 5.675 3.419 282 HD1 PHE 31 1HD PHE 31 7.911 7.465 6.117 283 HD2 PHE 31 2HD PHE 31 5.392 7.755 2.704 284 HE1 PHE 31 1HE PHE 31 8.080 9.917 6.212 285 HE2 PHE 31 2HE PHE 31 5.554 10.214 2.792 286 HZ PHE 31 HZ PHE 31 6.900 11.293 4.547 287 H ALA 32 H ALA 32 3.765 4.102 4.514 288 HA ALA 32 HA ALA 32 1.935 6.267 4.310 289 HB1 ALA 32 1HB ALA 32 1.530 3.301 4.082 290 HB2 ALA 32 2HB ALA 32 1.777 4.457 2.772 291 HB3 ALA 32 3HB ALA 32 0.293 4.508 3.728 292 H VAL 33 H VAL 33 2.264 3.571 6.588 293 HA VAL 33 HA VAL 33 -0.027 4.182 8.138 294 HB VAL 33 HB VAL 33 2.540 2.744 8.856 295 HG11 VAL 33 1HG1 VAL 33 1.578 1.955 10.849 296 HG12 VAL 33 2HG1 VAL 33 -0.018 2.561 10.421 297 HG13 VAL 33 3HG1 VAL 33 1.271 3.688 10.847 298 HG21 VAL 33 3HG2 VAL 33 1.363 1.577 7.155 299 HG22 VAL 33 1HG2 VAL 33 -0.175 1.784 7.993 300 HG23 VAL 33 2HG2 VAL 33 1.062 0.728 8.672 301 H GLU 34 H GLU 34 3.440 4.845 8.714 302 HA GLU 34 HA GLU 34 3.251 6.374 10.975 303 HB2 GLU 34 2HB GLU 34 5.104 6.773 8.624 304 HB3 GLU 34 1HB GLU 34 5.322 7.530 10.195 305 HG2 GLU 34 2HG GLU 34 5.422 5.246 11.195 306 HG3 GLU 34 1HG GLU 34 5.415 4.594 9.557 307 H TYR 35 H TYR 35 2.568 7.380 7.669 308 HA TYR 35 HA TYR 35 2.304 10.166 8.321 309 HB2 TYR 35 2HB TYR 35 3.010 9.480 6.095 310 HB3 TYR 35 1HB TYR 35 1.492 8.626 5.853 311 HD1 TYR 35 2HD TYR 35 -0.666 10.009 5.844 312 HD2 TYR 35 1HD TYR 35 3.201 11.751 5.506 313 HE1 TYR 35 2HE TYR 35 -1.668 12.037 4.888 314 HE2 TYR 35 1HE TYR 35 2.205 13.784 4.541 315 HH TYR 35 HH TYR 35 -0.133 14.925 4.671 316 H PHE 36 H PHE 36 -0.082 7.702 7.292 317 HA PHE 36 HA PHE 36 -2.297 9.434 7.815 318 HB2 PHE 36 2HB PHE 36 -1.979 6.574 6.985 319 HB3 PHE 36 1HB PHE 36 -3.556 7.141 7.522 320 HD1 PHE 36 1HD PHE 36 -0.946 7.501 4.955 321 HD2 PHE 36 2HD PHE 36 -4.874 8.601 6.170 322 HE1 PHE 36 1HE PHE 36 -1.389 8.396 2.706 323 HE2 PHE 36 2HE PHE 36 -5.324 9.495 3.924 324 HZ PHE 36 HZ PHE 36 -3.582 9.394 2.188 325 H THR 37 H THR 37 -0.787 6.770 9.547 326 HA THR 37 HA THR 37 -2.793 6.482 11.509 327 HB THR 37 HB THR 37 0.111 5.806 11.941 328 HG1 THR 37 1HG THR 37 -0.765 5.096 9.838 329 HG21 THR 37 3HG2 THR 37 -1.097 5.214 13.851 330 HG22 THR 37 1HG2 THR 37 -0.986 3.724 12.911 331 HG23 THR 37 2HG2 THR 37 -2.481 4.660 12.909 332 H ARG 38 H ARG 38 0.206 8.402 11.477 333 HA ARG 38 HA ARG 38 -0.238 9.391 14.143 334 HB2 ARG 38 2HB ARG 38 1.666 10.285 11.972 335 HB3 ARG 38 1HB ARG 38 1.643 10.942 13.602 336 HG2 ARG 38 2HG ARG 38 2.217 8.775 14.520 337 HG3 ARG 38 1HG ARG 38 2.165 8.057 12.909 338 HD2 ARG 38 2HD ARG 38 4.137 9.051 12.257 339 HD3 ARG 38 1HD ARG 38 3.959 10.396 13.382 340 HE ARG 38 HE ARG 38 5.297 7.931 13.861 341 HH11 ARG 38 1HH1 ARG 38 3.398 10.410 15.428 342 HH12 ARG 38 2HH1 ARG 38 4.088 10.124 16.989 343 HH21 ARG 38 1HH2 ARG 38 6.201 7.556 15.916 344 HH22 ARG 38 2HH2 ARG 38 5.678 8.505 17.267 345 H LEU 39 H LEU 39 -1.151 10.331 10.929 346 HA LEU 39 HA LEU 39 -1.622 13.059 11.314 347 HB2 LEU 39 2HB LEU 39 -1.650 12.249 9.102 348 HB3 LEU 39 1HB LEU 39 -2.818 10.999 9.482 349 HG LEU 39 HG LEU 39 -4.590 12.620 9.643 350 HD11 LEU 39 1HD1 LEU 39 -4.174 15.006 9.134 351 HD12 LEU 39 2HD1 LEU 39 -2.442 14.682 9.180 352 HD13 LEU 39 3HD1 LEU 39 -3.416 14.476 10.634 353 HD21 LEU 39 3HD2 LEU 39 -3.875 11.752 7.401 354 HD22 LEU 39 1HD2 LEU 39 -2.988 13.259 7.176 355 HD23 LEU 39 2HD2 LEU 39 -4.741 13.288 7.362 356 H ARG 40 H ARG 40 -3.921 10.329 11.541 357 HA ARG 40 HA ARG 40 -6.186 11.633 12.340 358 HB2 ARG 40 2HB ARG 40 -5.045 8.946 12.962 359 HB3 ARG 40 1HB ARG 40 -6.462 9.472 13.855 360 HG2 ARG 40 2HG ARG 40 -7.369 10.008 11.426 361 HG3 ARG 40 1HG ARG 40 -6.173 8.794 10.974 362 HD2 ARG 40 2HD ARG 40 -8.442 7.872 11.368 363 HD3 ARG 40 1HD ARG 40 -7.198 7.167 12.392 364 HE ARG 40 HE ARG 40 -8.121 8.231 14.241 365 HH11 ARG 40 1HH1 ARG 40 -9.866 9.123 11.340 366 HH12 ARG 40 2HH1 ARG 40 -11.225 9.743 12.210 367 HH21 ARG 40 1HH2 ARG 40 -9.912 9.053 15.368 368 HH22 ARG 40 2HH2 ARG 40 -11.252 9.707 14.487 369 H GLU 41 H GLU 41 -3.368 10.842 14.301 370 HA GLU 41 HA GLU 41 -4.562 11.723 16.764 371 HB2 GLU 41 2HB GLU 41 -1.679 11.130 16.072 372 HB3 GLU 41 1HB GLU 41 -2.291 11.424 17.694 373 HG2 GLU 41 2HG GLU 41 -3.259 9.187 15.934 374 HG3 GLU 41 1HG GLU 41 -1.940 9.022 17.093 375 H ALA 42 H ALA 42 -2.423 13.093 14.332 376 HA ALA 42 HA ALA 42 -1.659 15.401 15.761 377 HB1 ALA 42 1HB ALA 42 -1.882 15.016 12.777 378 HB2 ALA 42 2HB ALA 42 -0.475 14.629 13.767 379 HB3 ALA 42 3HB ALA 42 -0.997 16.304 13.593 380 H ARG 43 H ARG 43 -4.401 14.702 13.655 381 HA ARG 43 HA ARG 43 -5.417 17.413 13.856 382 HB2 ARG 43 2HB ARG 43 -7.256 16.589 12.457 383 HB3 ARG 43 1HB ARG 43 -5.678 16.287 11.745 384 HG2 ARG 43 2HG ARG 43 -5.915 14.045 11.833 385 HG3 ARG 43 1HG ARG 43 -6.743 14.085 13.388 386 HD2 ARG 43 2HD ARG 43 -8.187 15.151 11.021 387 HD3 ARG 43 1HD ARG 43 -7.987 13.404 11.145 388 HE ARG 43 HE ARG 43 -8.923 14.300 13.602 389 HH11 ARG 43 1HH1 ARG 43 -10.036 14.168 10.296 390 HH12 ARG 43 2HH1 ARG 43 -11.708 14.059 10.733 391 HH21 ARG 43 1HH2 ARG 43 -11.121 14.160 14.177 392 HH22 ARG 43 2HH2 ARG 43 -12.324 14.055 12.936 393 H ALA 44 H ALA 44 -7.631 17.832 14.578 394 HA ALA 44 HA ALA 44 -9.198 17.866 16.229 395 HB1 ALA 44 1HB ALA 44 -10.310 15.761 16.725 396 HB2 ALA 44 2HB ALA 44 -8.973 14.868 16.001 397 HB3 ALA 44 3HB ALA 44 -9.989 15.902 14.997 398 H1 GLY -7 1HT GLY -7 8.811 28.312 -15.950 399 H2 GLY -7 2HT GLY -7 8.551 29.973 -16.136 400 H3 GLY -7 3HT GLY -7 8.218 29.227 -14.656 401 HA2 GLY -7 1HA GLY -7 10.810 29.935 -15.845 402 HA3 GLY -7 2HA GLY -7 10.228 30.216 -14.211 403 H ALA -6 H ALA -6 12.052 28.190 -16.233 404 HA ALA -6 HA ALA -6 13.046 26.673 -14.050 405 HB1 ALA -6 1HB ALA -6 11.213 25.232 -15.963 406 HB2 ALA -6 2HB ALA -6 10.965 25.468 -14.233 407 HB3 ALA -6 3HB ALA -6 12.282 24.443 -14.804 408 H MET -5 H MET -5 15.086 26.148 -14.530 409 HA MET -5 HA MET -5 16.002 26.395 -17.285 410 HB2 MET -5 2HB MET -5 17.519 26.018 -14.695 411 HB3 MET -5 1HB MET -5 18.267 26.233 -16.273 412 HG2 MET -5 2HG MET -5 17.212 28.442 -16.453 413 HG3 MET -5 1HG MET -5 16.518 28.224 -14.848 414 HE1 MET -5 3HE MET -5 19.231 28.934 -12.414 415 HE2 MET -5 1HE MET -5 18.637 27.314 -12.783 416 HE3 MET -5 2HE MET -5 17.523 28.681 -12.777 417 H GLY -4 H GLY -4 16.603 24.063 -14.643 418 HA2 GLY -4 2HA GLY -4 15.805 21.739 -15.782 419 HA3 GLY -4 1HA GLY -4 17.368 22.016 -16.535 420 H SER -3 H SER -3 15.987 20.276 -14.213 421 HA SER -3 HA SER -3 18.423 19.647 -12.923 422 HB2 SER -3 2HB SER -3 17.776 20.371 -10.614 423 HB3 SER -3 1HB SER -3 18.108 21.713 -11.709 424 HG SER -3 HG SER -3 16.174 21.973 -10.451 425 H MET -2 H MET -2 18.307 17.653 -12.035 426 HA MET -2 HA MET -2 15.731 16.556 -11.212 427 HB2 MET -2 2HB MET -2 17.303 15.641 -13.584 428 HB3 MET -2 1HB MET -2 16.509 14.418 -12.600 429 HG2 MET -2 2HG MET -2 15.071 16.789 -13.758 430 HG3 MET -2 1HG MET -2 15.218 15.240 -14.586 431 HE1 MET -2 3HE MET -2 12.661 16.763 -14.029 432 HE2 MET -2 1HE MET -2 12.745 17.225 -12.329 433 HE3 MET -2 2HE MET -2 11.562 16.029 -12.860 434 H SER -1 H SER -1 15.892 15.073 -9.605 435 HA SER -1 HA SER -1 18.256 13.591 -9.036 436 HB2 SER -1 2HB SER -1 17.641 15.993 -7.302 437 HB3 SER -1 1HB SER -1 18.704 14.676 -6.805 438 HG SER -1 HG SER -1 19.618 16.662 -7.902 439 H HIS 2 H HIS 2 15.231 14.936 -7.803 440 HA HIS 2 HA HIS 2 14.302 12.330 -7.048 441 HB2 HIS 2 2HB HIS 2 13.819 13.147 -4.638 442 HB3 HIS 2 1HB HIS 2 15.443 12.594 -5.023 443 HD1 HIS 2 1HD HIS 2 16.187 14.045 -2.931 444 HD2 HIS 2 2HD HIS 2 14.739 16.199 -6.177 445 HE1 HIS 2 1HE HIS 2 16.909 16.421 -2.539 446 HE2 HIS 2 2HE HIS 2 16.092 17.689 -4.556 447 H ILE 3 H ILE 3 12.528 12.597 -8.255 448 HA ILE 3 HA ILE 3 10.425 14.317 -7.262 449 HB ILE 3 HB ILE 3 11.232 14.555 -10.170 450 HG12 ILE 3 2HG1 ILE 3 12.756 15.794 -8.549 451 HG13 ILE 3 1HG1 ILE 3 11.978 16.772 -9.776 452 HG21 ILE 3 1HG2 ILE 3 8.901 14.758 -10.021 453 HG22 ILE 3 2HG2 ILE 3 9.499 16.415 -10.088 454 HG23 ILE 3 3HG2 ILE 3 8.992 15.720 -8.546 455 HD11 ILE 3 3HD1 ILE 3 10.633 17.845 -8.278 456 HD12 ILE 3 1HD1 ILE 3 12.077 17.579 -7.303 457 HD13 ILE 3 2HD1 ILE 3 10.678 16.525 -7.111 458 H GLN 4 H GLN 4 11.460 12.216 -9.916 459 HA GLN 4 HA GLN 4 9.098 11.276 -10.869 460 HB2 GLN 4 2HB GLN 4 10.286 9.201 -11.461 461 HB3 GLN 4 1HB GLN 4 11.227 10.640 -11.824 462 HG2 GLN 4 2HG GLN 4 12.587 10.300 -9.864 463 HG3 GLN 4 1HG GLN 4 11.595 8.927 -9.378 464 HE21 GLN 4 1HE2 GLN 4 11.973 6.959 -10.252 465 HE22 GLN 4 2HE2 GLN 4 13.230 6.626 -11.389 466 H ILE 5 H ILE 5 7.542 9.833 -10.307 467 HA ILE 5 HA ILE 5 7.142 9.248 -7.582 468 HB ILE 5 HB ILE 5 5.800 7.920 -9.937 469 HG12 ILE 5 2HG1 ILE 5 5.526 10.284 -10.221 470 HG13 ILE 5 1HG1 ILE 5 4.022 9.670 -9.552 471 HG21 ILE 5 1HG2 ILE 5 5.297 6.701 -7.988 472 HG22 ILE 5 2HG2 ILE 5 3.903 7.746 -8.264 473 HG23 ILE 5 3HG2 ILE 5 5.089 8.165 -7.026 474 HD11 ILE 5 3HD1 ILE 5 4.380 11.602 -8.347 475 HD12 ILE 5 1HD1 ILE 5 6.122 11.339 -8.250 476 HD13 ILE 5 2HD1 ILE 5 5.025 10.358 -7.276 477 HA PRO 6 HA PRO 6 10.063 5.811 -7.240 478 HB2 PRO 6 2HB PRO 6 8.145 5.204 -5.011 479 HB3 PRO 6 1HB PRO 6 9.913 5.148 -5.015 480 HG2 PRO 6 2HG PRO 6 8.638 7.206 -3.923 481 HG3 PRO 6 1HG PRO 6 10.117 7.458 -4.869 482 HD2 PRO 6 2HD PRO 6 7.287 8.034 -5.592 483 HD3 PRO 6 1HD PRO 6 8.775 8.862 -6.091 484 HA PRO 7 HA PRO 7 7.740 2.464 -9.011 485 HB2 PRO 7 2HB PRO 7 9.495 0.387 -8.133 486 HB3 PRO 7 1HB PRO 7 9.544 1.256 -9.664 487 HG2 PRO 7 2HG PRO 7 11.471 1.413 -7.662 488 HG3 PRO 7 1HG PRO 7 11.258 2.580 -8.979 489 HD2 PRO 7 2HD PRO 7 10.341 2.734 -6.137 490 HD3 PRO 7 1HD PRO 7 10.951 4.015 -7.203 491 H GLY 8 H GLY 8 5.821 2.274 -7.888 492 HA2 GLY 8 2HA GLY 8 4.770 0.204 -6.807 493 HA3 GLY 8 1HA GLY 8 5.833 0.579 -5.465 494 H LEU 9 H LEU 9 5.453 3.499 -5.866 495 HA LEU 9 HA LEU 9 3.417 3.924 -4.019 496 HB2 LEU 9 2HB LEU 9 5.292 5.476 -4.596 497 HB3 LEU 9 1HB LEU 9 4.404 5.925 -6.038 498 HG LEU 9 HG LEU 9 3.041 6.194 -3.390 499 HD11 LEU 9 1HD1 LEU 9 3.964 8.546 -3.285 500 HD12 LEU 9 2HD1 LEU 9 5.204 8.007 -4.417 501 HD13 LEU 9 3HD1 LEU 9 5.064 7.247 -2.835 502 HD21 LEU 9 3HD2 LEU 9 2.081 8.191 -4.550 503 HD22 LEU 9 1HD2 LEU 9 1.709 6.651 -5.318 504 HD23 LEU 9 2HD2 LEU 9 2.950 7.697 -6.002 505 H THR 10 H THR 10 3.299 4.322 -7.570 506 HA THR 10 HA THR 10 0.736 5.349 -7.738 507 HB THR 10 HB THR 10 1.974 3.431 -9.712 508 HG1 THR 10 1HG THR 10 3.407 5.084 -9.412 509 HG21 THR 10 3HG2 THR 10 -0.293 5.367 -9.875 510 HG22 THR 10 1HG2 THR 10 -0.144 3.741 -10.545 511 HG23 THR 10 2HG2 THR 10 0.722 5.083 -11.291 512 H GLU 11 H GLU 11 1.696 1.922 -7.766 513 HA GLU 11 HA GLU 11 -0.976 0.967 -7.982 514 HB2 GLU 11 2HB GLU 11 -0.025 -1.240 -7.423 515 HB3 GLU 11 1HB GLU 11 0.852 -0.431 -8.712 516 HG2 GLU 11 2HG GLU 11 2.642 0.116 -7.261 517 HG3 GLU 11 1HG GLU 11 1.734 -0.393 -5.841 518 H LEU 12 H LEU 12 1.064 1.828 -5.274 519 HA LEU 12 HA LEU 12 -0.401 0.486 -3.261 520 HB2 LEU 12 2HB LEU 12 1.753 2.449 -3.375 521 HB3 LEU 12 1HB LEU 12 0.660 2.767 -2.045 522 HG LEU 12 HG LEU 12 2.502 1.422 -1.273 523 HD11 LEU 12 1HD1 LEU 12 -0.003 0.944 -0.616 524 HD12 LEU 12 2HD1 LEU 12 1.305 -0.082 -0.035 525 HD13 LEU 12 3HD1 LEU 12 0.318 -0.603 -1.399 526 HD21 LEU 12 3HD2 LEU 12 2.784 -0.908 -2.172 527 HD22 LEU 12 1HD2 LEU 12 3.268 0.387 -3.265 528 HD23 LEU 12 2HD2 LEU 12 1.730 -0.442 -3.506 529 H LEU 13 H LEU 13 -0.459 3.938 -4.205 530 HA LEU 13 HA LEU 13 -2.637 4.687 -2.619 531 HB2 LEU 13 2HB LEU 13 -1.469 5.740 -5.178 532 HB3 LEU 13 1HB LEU 13 -2.955 6.430 -4.557 533 HG LEU 13 HG LEU 13 -1.867 7.214 -2.577 534 HD11 LEU 13 1HD1 LEU 13 -0.422 5.330 -2.118 535 HD12 LEU 13 2HD1 LEU 13 0.520 6.820 -2.151 536 HD13 LEU 13 3HD1 LEU 13 0.568 5.717 -3.523 537 HD21 LEU 13 3HD2 LEU 13 -1.585 8.725 -4.372 538 HD22 LEU 13 1HD2 LEU 13 -0.307 7.750 -5.095 539 HD23 LEU 13 2HD2 LEU 13 -0.010 8.613 -3.586 540 H GLN 14 H GLN 14 -2.449 3.182 -5.765 541 HA GLN 14 HA GLN 14 -5.191 3.425 -6.451 542 HB2 GLN 14 2HB GLN 14 -3.178 2.852 -7.968 543 HB3 GLN 14 1HB GLN 14 -3.422 1.196 -7.431 544 HG2 GLN 14 2HG GLN 14 -5.912 1.702 -8.167 545 HG3 GLN 14 1HG GLN 14 -5.115 2.904 -9.178 546 HE21 GLN 14 1HE2 GLN 14 -2.740 1.440 -9.664 547 HE22 GLN 14 2HE2 GLN 14 -3.139 0.118 -10.702 548 H GLY 15 H GLY 15 -3.312 0.839 -4.910 549 HA2 GLY 15 2HA GLY 15 -5.238 -1.144 -4.767 550 HA3 GLY 15 1HA GLY 15 -3.971 -0.908 -3.573 551 H TYR 16 H TYR 16 -4.846 1.688 -2.728 552 HA TYR 16 HA TYR 16 -6.877 0.878 -0.850 553 HB2 TYR 16 2HB TYR 16 -5.103 2.226 0.005 554 HB3 TYR 16 1HB TYR 16 -5.314 3.429 -1.262 555 HD1 TYR 16 2HD TYR 16 -7.013 1.933 1.689 556 HD2 TYR 16 1HD TYR 16 -6.680 5.305 -0.886 557 HE1 TYR 16 2HE TYR 16 -8.491 3.209 3.179 558 HE2 TYR 16 1HE TYR 16 -8.157 6.593 0.601 559 HH TYR 16 HH TYR 16 -8.934 5.615 3.719 560 H THR 17 H THR 17 -6.601 3.297 -3.429 561 HA THR 17 HA THR 17 -9.079 4.501 -3.172 562 HB THR 17 HB THR 17 -7.732 4.022 -5.822 563 HG1 THR 17 1HG THR 17 -6.297 5.574 -5.332 564 HG21 THR 17 3HG2 THR 17 -8.871 6.626 -4.972 565 HG22 THR 17 1HG2 THR 17 -9.978 5.352 -5.483 566 HG23 THR 17 2HG2 THR 17 -8.726 5.926 -6.583 567 H VAL 18 H VAL 18 -8.248 1.707 -5.259 568 HA VAL 18 HA VAL 18 -10.698 1.353 -6.485 569 HB VAL 18 HB VAL 18 -10.162 -1.031 -6.708 570 HG11 VAL 18 1HG1 VAL 18 -9.140 0.340 -8.322 571 HG12 VAL 18 2HG1 VAL 18 -7.877 -0.751 -7.758 572 HG13 VAL 18 3HG1 VAL 18 -7.923 0.914 -7.185 573 HG21 VAL 18 3HG2 VAL 18 -7.961 -0.406 -4.753 574 HG22 VAL 18 1HG2 VAL 18 -8.023 -1.872 -5.731 575 HG23 VAL 18 2HG2 VAL 18 -9.288 -1.549 -4.546 576 H GLU 19 H GLU 19 -9.712 0.502 -3.254 577 HA GLU 19 HA GLU 19 -12.026 -1.092 -2.663 578 HB2 GLU 19 2HB GLU 19 -9.643 -1.106 -1.562 579 HB3 GLU 19 1HB GLU 19 -10.312 0.159 -0.540 580 HG2 GLU 19 2HG GLU 19 -10.566 -1.894 0.605 581 HG3 GLU 19 1HG GLU 19 -12.164 -1.407 0.044 582 H VAL 20 H VAL 20 -11.024 2.240 -2.113 583 HA VAL 20 HA VAL 20 -13.102 3.017 -0.397 584 HB VAL 20 HB VAL 20 -11.523 4.641 -2.398 585 HG11 VAL 20 1HG1 VAL 20 -12.281 6.567 -0.854 586 HG12 VAL 20 2HG1 VAL 20 -13.582 5.475 -0.385 587 HG13 VAL 20 3HG1 VAL 20 -13.409 5.967 -2.069 588 HG21 VAL 20 3HG2 VAL 20 -11.247 4.608 0.595 589 HG22 VAL 20 1HG2 VAL 20 -10.126 5.253 -0.603 590 HG23 VAL 20 2HG2 VAL 20 -10.345 3.510 -0.449 591 H LEU 21 H LEU 21 -12.831 3.289 -3.936 592 HA LEU 21 HA LEU 21 -15.315 4.454 -4.411 593 HB2 LEU 21 2HB LEU 21 -13.770 2.526 -6.142 594 HB3 LEU 21 1HB LEU 21 -15.108 3.515 -6.696 595 HG LEU 21 HG LEU 21 -12.698 4.819 -5.474 596 HD11 LEU 21 1HD1 LEU 21 -11.818 3.306 -7.173 597 HD12 LEU 21 2HD1 LEU 21 -11.667 4.990 -7.672 598 HD13 LEU 21 3HD1 LEU 21 -12.937 3.977 -8.359 599 HD21 LEU 21 3HD2 LEU 21 -14.901 6.002 -6.061 600 HD22 LEU 21 1HD2 LEU 21 -14.402 5.802 -7.741 601 HD23 LEU 21 2HD2 LEU 21 -13.395 6.725 -6.626 602 H ARG 22 H ARG 22 -14.412 1.040 -4.214 603 HA ARG 22 HA ARG 22 -17.021 0.057 -4.808 604 HB2 ARG 22 2HB ARG 22 -14.750 -1.110 -5.094 605 HB3 ARG 22 1HB ARG 22 -14.873 -1.490 -3.384 606 HG2 ARG 22 2HG ARG 22 -15.783 -3.386 -4.259 607 HG3 ARG 22 1HG ARG 22 -17.244 -2.411 -4.100 608 HD2 ARG 22 2HD ARG 22 -15.593 -2.569 -6.615 609 HD3 ARG 22 1HD ARG 22 -16.987 -3.596 -6.296 610 HE ARG 22 HE ARG 22 -17.012 -0.847 -7.101 611 HH11 ARG 22 1HH1 ARG 22 -18.808 -3.294 -5.366 612 HH12 ARG 22 2HH1 ARG 22 -20.340 -2.536 -5.642 613 HH21 ARG 22 1HH2 ARG 22 -19.026 0.145 -7.458 614 HH22 ARG 22 2HH2 ARG 22 -20.464 -0.587 -6.826 615 H GLN 23 H GLN 23 -15.500 1.096 -1.847 616 HA GLN 23 HA GLN 23 -17.678 -0.146 -0.282 617 HB2 GLN 23 2HB GLN 23 -14.933 0.804 0.536 618 HB3 GLN 23 1HB GLN 23 -16.172 0.321 1.686 619 HG2 GLN 23 2HG GLN 23 -15.188 -1.487 -0.501 620 HG3 GLN 23 1HG GLN 23 -14.445 -1.417 1.096 621 HE21 GLN 23 1HE2 GLN 23 -17.331 -2.246 -0.689 622 HE22 GLN 23 2HE2 GLN 23 -18.034 -3.247 0.531 623 H GLN 24 H GLN 24 -15.748 2.839 -0.432 624 HA GLN 24 HA GLN 24 -16.262 5.003 -0.013 625 HB2 GLN 24 2HB GLN 24 -19.175 4.216 -0.121 626 HB3 GLN 24 1HB GLN 24 -18.473 5.796 -0.439 627 HG2 GLN 24 2HG GLN 24 -17.410 4.945 -2.448 628 HG3 GLN 24 1HG GLN 24 -18.050 3.335 -2.122 629 HE21 GLN 24 1HE2 GLN 24 -18.874 3.710 -4.351 630 HE22 GLN 24 2HE2 GLN 24 -20.416 4.472 -4.516 631 HA PRO 25 HA PRO 25 -17.133 4.121 4.414 632 HB2 PRO 25 2HB PRO 25 -14.794 4.849 5.456 633 HB3 PRO 25 1HB PRO 25 -14.949 3.324 4.573 634 HG2 PRO 25 2HG PRO 25 -13.834 5.943 3.646 635 HG3 PRO 25 1HG PRO 25 -13.211 4.306 3.378 636 HD2 PRO 25 2HD PRO 25 -14.743 5.741 1.563 637 HD3 PRO 25 1HD PRO 25 -14.557 3.977 1.560 638 HA PRO 26 HA PRO 26 -18.073 8.250 5.726 639 HB2 PRO 26 2HB PRO 26 -17.243 7.822 8.490 640 HB3 PRO 26 1HB PRO 26 -18.875 7.917 7.825 641 HG2 PRO 26 2HG PRO 26 -17.811 5.617 8.803 642 HG3 PRO 26 1HG PRO 26 -19.018 5.648 7.503 643 HD2 PRO 26 2HD PRO 26 -16.041 5.333 7.317 644 HD3 PRO 26 1HD PRO 26 -17.323 4.455 6.458 645 H ASP 27 H ASP 27 -14.902 7.065 6.677 646 HA ASP 27 HA ASP 27 -13.856 9.810 6.464 647 HB2 ASP 27 2HB ASP 27 -13.186 7.766 8.586 648 HB3 ASP 27 1HB ASP 27 -12.223 9.210 8.290 649 H LEU 28 H LEU 28 -12.064 10.036 5.289 650 HA LEU 28 HA LEU 28 -11.145 7.793 3.756 651 HB2 LEU 28 2HB LEU 28 -10.203 10.657 3.834 652 HB3 LEU 28 1HB LEU 28 -9.666 9.461 2.671 653 HG LEU 28 HG LEU 28 -12.548 10.307 2.947 654 HD11 LEU 28 1HD1 LEU 28 -12.207 11.741 1.026 655 HD12 LEU 28 2HD1 LEU 28 -10.496 11.314 0.979 656 HD13 LEU 28 3HD1 LEU 28 -11.139 12.231 2.341 657 HD21 LEU 28 3HD2 LEU 28 -12.619 9.389 0.600 658 HD22 LEU 28 1HD2 LEU 28 -12.379 8.197 1.875 659 HD23 LEU 28 2HD2 LEU 28 -11.011 8.725 0.896 660 H VAL 29 H VAL 29 -9.785 9.877 6.277 661 HA VAL 29 HA VAL 29 -7.188 8.758 6.195 662 HB VAL 29 HB VAL 29 -7.725 10.966 7.216 663 HG11 VAL 29 1HG1 VAL 29 -8.653 11.156 9.394 664 HG12 VAL 29 2HG1 VAL 29 -8.672 9.408 9.609 665 HG13 VAL 29 3HG1 VAL 29 -9.756 10.163 8.442 666 HG21 VAL 29 3HG2 VAL 29 -6.243 10.561 9.304 667 HG22 VAL 29 1HG2 VAL 29 -5.578 10.224 7.705 668 HG23 VAL 29 2HG2 VAL 29 -6.150 8.901 8.715 669 H GLU 30 H GLU 30 -9.985 8.092 8.304 670 HA GLU 30 HA GLU 30 -8.746 6.196 9.943 671 HB2 GLU 30 2HB GLU 30 -11.012 7.299 10.264 672 HB3 GLU 30 1HB GLU 30 -11.648 6.118 9.128 673 HG2 GLU 30 2HG GLU 30 -10.837 4.318 10.629 674 HG3 GLU 30 1HG GLU 30 -10.367 5.558 11.791 675 H PHE 31 H PHE 31 -10.832 5.623 7.109 676 HA PHE 31 HA PHE 31 -10.550 2.862 7.003 677 HB2 PHE 31 2HB PHE 31 -12.180 4.176 5.683 678 HB3 PHE 31 1HB PHE 31 -10.865 4.755 4.667 679 HD1 PHE 31 2HD PHE 31 -12.120 1.476 5.948 680 HD2 PHE 31 1HD PHE 31 -10.675 3.716 2.632 681 HE1 PHE 31 2HE PHE 31 -12.396 -0.495 4.501 682 HE2 PHE 31 1HE PHE 31 -10.951 1.749 1.177 683 HZ PHE 31 HZ PHE 31 -11.811 -0.360 2.113 684 H ALA 32 H ALA 32 -8.319 5.352 6.093 685 HA ALA 32 HA ALA 32 -6.668 3.685 4.435 686 HB1 ALA 32 1HB ALA 32 -6.834 6.118 4.126 687 HB2 ALA 32 2HB ALA 32 -5.171 5.569 4.345 688 HB3 ALA 32 3HB ALA 32 -6.025 6.350 5.677 689 H VAL 33 H VAL 33 -6.366 4.987 7.741 690 HA VAL 33 HA VAL 33 -3.867 3.980 8.381 691 HB VAL 33 HB VAL 33 -6.286 4.301 10.162 692 HG11 VAL 33 1HG1 VAL 33 -4.581 4.341 12.019 693 HG12 VAL 33 2HG1 VAL 33 -3.426 3.668 10.866 694 HG13 VAL 33 3HG1 VAL 33 -4.876 2.761 11.297 695 HG21 VAL 33 3HG2 VAL 33 -5.005 6.330 10.907 696 HG22 VAL 33 1HG2 VAL 33 -5.590 6.388 9.247 697 HG23 VAL 33 2HG2 VAL 33 -3.896 6.035 9.564 698 H GLU 34 H GLU 34 -7.007 2.403 8.976 699 HA GLU 34 HA GLU 34 -6.013 -0.018 9.940 700 HB2 GLU 34 2HB GLU 34 -8.213 -0.937 9.461 701 HB3 GLU 34 1HB GLU 34 -8.362 0.676 10.144 702 HG2 GLU 34 2HG GLU 34 -8.620 1.544 7.812 703 HG3 GLU 34 1HG GLU 34 -8.697 -0.131 7.269 704 H TYR 35 H TYR 35 -6.703 1.027 6.647 705 HA TYR 35 HA TYR 35 -6.356 -1.446 5.356 706 HB2 TYR 35 2HB TYR 35 -7.388 0.553 4.316 707 HB3 TYR 35 1HB TYR 35 -5.806 1.320 4.262 708 HD1 TYR 35 2HD TYR 35 -3.981 0.188 2.874 709 HD2 TYR 35 1HD TYR 35 -8.100 -0.834 2.555 710 HE1 TYR 35 2HE TYR 35 -3.558 -0.810 0.669 711 HE2 TYR 35 1HE TYR 35 -7.686 -1.834 0.344 712 HH TYR 35 HH TYR 35 -4.795 -2.710 -0.762 713 H PHE 36 H PHE 36 -4.024 1.273 5.521 714 HA PHE 36 HA PHE 36 -1.882 -0.159 4.434 715 HB2 PHE 36 2HB PHE 36 -2.065 2.317 6.120 716 HB3 PHE 36 1HB PHE 36 -0.491 1.635 5.723 717 HD1 PHE 36 1HD PHE 36 0.133 1.346 3.309 718 HD2 PHE 36 2HD PHE 36 -3.239 3.627 4.549 719 HE1 PHE 36 1HE PHE 36 0.099 2.475 1.125 720 HE2 PHE 36 2HE PHE 36 -3.279 4.761 2.365 721 HZ PHE 36 HZ PHE 36 -1.608 4.184 0.648 722 H THR 37 H THR 37 -2.829 0.283 7.830 723 HA THR 37 HA THR 37 -0.615 -0.933 9.018 724 HB THR 37 HB THR 37 -2.279 -1.513 10.880 725 HG1 THR 37 1HG THR 37 -4.093 -1.492 9.355 726 HG21 THR 37 3HG2 THR 37 -2.772 0.908 11.396 727 HG22 THR 37 1HG2 THR 37 -1.947 1.296 9.885 728 HG23 THR 37 2HG2 THR 37 -1.075 0.474 11.181 729 H ARG 38 H ARG 38 -3.403 -2.299 7.440 730 HA ARG 38 HA ARG 38 -2.957 -4.995 8.354 731 HB2 ARG 38 2HB ARG 38 -5.125 -3.727 7.286 732 HB3 ARG 38 1HB ARG 38 -4.544 -4.609 5.883 733 HG2 ARG 38 2HG ARG 38 -6.078 -6.057 6.857 734 HG3 ARG 38 1HG ARG 38 -4.520 -6.661 7.422 735 HD2 ARG 38 2HD ARG 38 -5.028 -5.001 9.435 736 HD3 ARG 38 1HD ARG 38 -6.691 -5.291 8.927 737 HE ARG 38 HE ARG 38 -5.372 -7.753 9.151 738 HH11 ARG 38 1HH1 ARG 38 -6.527 -5.151 11.168 739 HH12 ARG 38 2HH1 ARG 38 -6.775 -6.164 12.550 740 HH21 ARG 38 1HH2 ARG 38 -5.696 -9.088 10.969 741 HH22 ARG 38 2HH2 ARG 38 -6.302 -8.400 12.437 742 H LEU 39 H LEU 39 -2.148 -3.106 5.508 743 HA LEU 39 HA LEU 39 -1.321 -5.119 3.800 744 HB2 LEU 39 2HB LEU 39 -1.284 -2.327 3.798 745 HB3 LEU 39 1HB LEU 39 0.399 -2.778 3.629 746 HG LEU 39 HG LEU 39 -0.393 -4.315 1.734 747 HD11 LEU 39 1HD1 LEU 39 -2.451 -3.487 0.596 748 HD12 LEU 39 2HD1 LEU 39 -2.812 -2.558 2.051 749 HD13 LEU 39 3HD1 LEU 39 -2.744 -4.318 2.124 750 HD21 LEU 39 3HD2 LEU 39 0.916 -2.323 1.326 751 HD22 LEU 39 1HD2 LEU 39 -0.528 -1.317 1.450 752 HD23 LEU 39 2HD2 LEU 39 -0.357 -2.455 0.113 753 H ARG 40 H ARG 40 0.755 -3.222 6.008 754 HA ARG 40 HA ARG 40 3.042 -4.812 5.532 755 HB2 ARG 40 2HB ARG 40 4.098 -3.624 7.299 756 HB3 ARG 40 1HB ARG 40 3.186 -2.513 6.284 757 HG2 ARG 40 2HG ARG 40 1.313 -2.842 7.996 758 HG3 ARG 40 1HG ARG 40 2.589 -3.471 9.037 759 HD2 ARG 40 2HD ARG 40 2.509 -0.770 7.723 760 HD3 ARG 40 1HD ARG 40 2.282 -1.100 9.443 761 HE ARG 40 HE ARG 40 4.779 -2.073 8.445 762 HH11 ARG 40 1HH1 ARG 40 3.144 0.793 9.599 763 HH12 ARG 40 2HH1 ARG 40 4.602 1.561 10.130 764 HH21 ARG 40 1HH2 ARG 40 6.694 -1.056 9.144 765 HH22 ARG 40 2HH2 ARG 40 6.615 0.514 9.870 766 H GLU 41 H GLU 41 0.429 -5.039 7.795 767 HA GLU 41 HA GLU 41 1.760 -6.946 9.499 768 HB2 GLU 41 2HB GLU 41 -1.091 -5.970 9.350 769 HB3 GLU 41 1HB GLU 41 -0.545 -7.166 10.518 770 HG2 GLU 41 2HG GLU 41 0.774 -4.482 10.292 771 HG3 GLU 41 1HG GLU 41 -0.680 -4.720 11.260 772 H ALA 42 H ALA 42 -0.172 -7.047 6.638 773 HA ALA 42 HA ALA 42 -0.933 -9.825 6.946 774 HB1 ALA 42 1HB ALA 42 -2.470 -8.352 5.826 775 HB2 ALA 42 2HB ALA 42 -1.880 -9.550 4.674 776 HB3 ALA 42 3HB ALA 42 -1.243 -7.906 4.641 777 H ARG 43 H ARG 43 1.542 -7.966 5.300 778 HA ARG 43 HA ARG 43 2.467 -10.240 3.757 779 HB2 ARG 43 2HB ARG 43 4.154 -8.738 2.880 780 HB3 ARG 43 1HB ARG 43 2.580 -7.962 2.828 781 HG2 ARG 43 2HG ARG 43 3.669 -6.209 3.715 782 HG3 ARG 43 1HG ARG 43 3.484 -7.086 5.231 783 HD2 ARG 43 2HD ARG 43 5.778 -6.317 4.941 784 HD3 ARG 43 1HD ARG 43 5.698 -8.074 4.938 785 HE ARG 43 HE ARG 43 6.478 -8.072 2.792 786 HH11 ARG 43 1HH1 ARG 43 5.321 -4.860 3.544 787 HH12 ARG 43 2HH1 ARG 43 5.927 -4.168 2.079 788 HH21 ARG 43 1HH2 ARG 43 7.271 -7.155 0.866 789 HH22 ARG 43 2HH2 ARG 43 7.032 -5.468 0.560 790 H ALA 44 H ALA 44 5.004 -10.499 3.811 791 HA ALA 44 HA ALA 44 5.680 -11.860 6.111 792 HB1 ALA 44 1HB ALA 44 6.885 -12.222 4.069 793 HB2 ALA 44 2HB ALA 44 8.030 -11.710 5.309 794 HB3 ALA 44 3HB ALA 44 7.491 -10.566 4.080 795 H1 ALA 578 1HT ALA 578 4.979 -11.236 -10.587 796 H2 ALA 578 2HT ALA 578 4.506 -10.149 -11.829 797 H3 ALA 578 3HT ALA 578 5.655 -11.381 -12.156 798 HA ALA 578 HA ALA 578 2.954 -12.006 -11.226 799 HB1 ALA 578 2HB ALA 578 2.246 -12.224 -13.541 800 HB2 ALA 578 3HB ALA 578 3.812 -11.629 -14.092 801 HB3 ALA 578 1HB ALA 578 2.730 -10.564 -13.194 802 H MET 579 H MET 579 3.058 -14.065 -10.614 803 HA MET 579 HA MET 579 5.197 -15.797 -11.218 804 HB2 MET 579 2HB MET 579 2.428 -16.430 -10.184 805 HB3 MET 579 1HB MET 579 3.776 -17.558 -10.200 806 HG2 MET 579 2HG MET 579 5.028 -15.947 -8.756 807 HG3 MET 579 1HG MET 579 3.540 -15.012 -8.622 808 HE1 MET 579 3HE MET 579 4.088 -16.637 -5.170 809 HE2 MET 579 1HE MET 579 2.906 -15.452 -5.729 810 HE3 MET 579 2HE MET 579 4.585 -15.341 -6.258 811 H ALA 580 H ALA 580 5.301 -17.629 -12.542 812 HA ALA 580 HA ALA 580 3.752 -17.413 -14.992 813 HB1 ALA 580 1HB ALA 580 5.329 -18.957 -15.932 814 HB2 ALA 580 2HB ALA 580 5.967 -19.347 -14.335 815 HB3 ALA 580 3HB ALA 580 6.216 -17.739 -15.014 816 H ASP 581 H ASP 581 1.985 -18.107 -13.126 817 HA ASP 581 HA ASP 581 0.995 -20.604 -14.043 818 HB2 ASP 581 2HB ASP 581 2.744 -21.368 -12.414 819 HB3 ASP 581 1HB ASP 581 1.840 -20.554 -11.141 820 H ILE 582 H ILE 582 0.144 -17.848 -13.743 821 HA ILE 582 HA ILE 582 -2.341 -18.325 -12.245 822 HB ILE 582 HB ILE 582 -0.873 -15.691 -12.134 823 HG12 ILE 582 2HG1 ILE 582 0.376 -17.480 -10.922 824 HG13 ILE 582 1HG1 ILE 582 -0.222 -16.209 -9.866 825 HG21 ILE 582 1HG2 ILE 582 -3.301 -16.752 -10.705 826 HG22 ILE 582 2HG2 ILE 582 -3.235 -15.436 -11.877 827 HG23 ILE 582 3HG2 ILE 582 -2.486 -15.245 -10.292 828 HD11 ILE 582 3HD1 ILE 582 -2.189 -18.261 -9.976 829 HD12 ILE 582 1HD1 ILE 582 -1.216 -17.723 -8.608 830 HD13 ILE 582 2HD1 ILE 582 -0.618 -18.997 -9.667 831 H GLY 583 H GLY 583 -3.720 -18.431 -13.923 832 HA2 GLY 583 2HA GLY 583 -3.531 -16.452 -16.087 833 HA3 GLY 583 1HA GLY 583 -4.484 -17.928 -16.114 834 H SER 584 H SER 584 -4.335 -14.626 -14.959 835 HA SER 584 HA SER 584 -6.005 -13.115 -14.595 836 HB2 SER 584 2HB SER 584 -7.245 -14.649 -16.336 837 HB3 SER 584 1HB SER 584 -8.164 -15.172 -14.925 838 HG SER 584 HG SER 584 -8.436 -12.799 -14.563 839 H ALA 585 H ALA 585 -6.905 -16.299 -13.253 840 HA ALA 585 HA ALA 585 -7.183 -16.972 -11.094 841 HB1 ALA 585 1HB ALA 585 -6.756 -14.222 -10.009 842 HB2 ALA 585 2HB ALA 585 -5.395 -15.115 -10.686 843 HB3 ALA 585 3HB ALA 585 -6.301 -15.786 -9.331 844 H SER 586 H SER 586 -8.450 -13.635 -11.391 845 HA SER 586 HA SER 586 -11.161 -14.533 -11.302 846 HB2 SER 586 2HB SER 586 -11.764 -13.439 -9.157 847 HB3 SER 586 1HB SER 586 -10.668 -14.803 -8.931 848 HG SER 586 HG SER 586 -9.786 -13.214 -7.738 849 H GLY 587 H GLY 587 -9.029 -11.763 -10.630 850 HA2 GLY 587 2HA GLY 587 -8.958 -9.815 -11.988 851 HA3 GLY 587 1HA GLY 587 -10.579 -10.177 -12.561 852 H TYR 588 H TYR 588 -8.878 -9.413 -9.531 853 HA TYR 588 HA TYR 588 -10.938 -8.605 -7.961 854 HB2 TYR 588 2HB TYR 588 -8.370 -8.645 -7.521 855 HB3 TYR 588 1HB TYR 588 -8.426 -6.953 -8.004 856 HD1 TYR 588 1HD TYR 588 -10.399 -9.248 -5.795 857 HD2 TYR 588 2HD TYR 588 -8.538 -5.447 -6.247 858 HE1 TYR 588 1HE TYR 588 -11.087 -8.646 -3.514 859 HE2 TYR 588 2HE TYR 588 -9.220 -4.836 -3.965 860 HH TYR 588 HH TYR 588 -10.511 -7.134 -1.753 861 H VAL 589 H VAL 589 -12.169 -6.850 -7.638 862 HA VAL 589 HA VAL 589 -13.305 -4.946 -8.008 863 HB VAL 589 HB VAL 589 -12.215 -3.023 -8.414 864 HG11 VAL 589 1HG1 VAL 589 -10.024 -3.047 -7.691 865 HG12 VAL 589 2HG1 VAL 589 -9.636 -4.539 -8.544 866 HG13 VAL 589 3HG1 VAL 589 -10.639 -4.586 -7.092 867 HG21 VAL 589 3HG2 VAL 589 -10.925 -4.329 -10.797 868 HG22 VAL 589 1HG2 VAL 589 -10.503 -2.714 -10.239 869 HG23 VAL 589 2HG2 VAL 589 -12.145 -3.061 -10.769 870 HA PRO 590 HA PRO 590 -15.437 -5.902 -11.772 871 HB2 PRO 590 2HB PRO 590 -17.253 -3.896 -11.822 872 HB3 PRO 590 1HB PRO 590 -17.315 -5.203 -10.635 873 HG2 PRO 590 2HG PRO 590 -16.171 -2.443 -10.338 874 HG3 PRO 590 1HG PRO 590 -17.269 -3.316 -9.249 875 HD2 PRO 590 2HD PRO 590 -14.617 -3.207 -8.791 876 HD3 PRO 590 1HD PRO 590 -15.575 -4.647 -8.400 877 H GLU 591 H GLU 591 -12.974 -4.679 -12.358 878 HA GLU 591 HA GLU 591 -11.870 -3.604 -14.016 879 HB2 GLU 591 2HB GLU 591 -13.452 -5.008 -15.350 880 HB3 GLU 591 1HB GLU 591 -14.516 -3.615 -15.466 881 HG2 GLU 591 2HG GLU 591 -12.782 -2.369 -16.632 882 HG3 GLU 591 1HG GLU 591 -11.686 -3.742 -16.486 883 H GLU 592 H GLU 592 -15.083 -2.005 -14.354 884 HA GLU 592 HA GLU 592 -14.169 0.481 -15.025 885 HB2 GLU 592 2HB GLU 592 -16.555 -0.336 -14.980 886 HB3 GLU 592 1HB GLU 592 -16.570 0.012 -13.257 887 HG2 GLU 592 2HG GLU 592 -16.588 2.277 -13.568 888 HG3 GLU 592 1HG GLU 592 -15.739 2.187 -15.109 889 H ILE 593 H ILE 593 -14.128 -0.995 -11.898 890 HA ILE 593 HA ILE 593 -13.770 1.408 -10.391 891 HB ILE 593 HB ILE 593 -13.527 -1.514 -9.794 892 HG12 ILE 593 2HG1 ILE 593 -15.673 -0.021 -9.692 893 HG13 ILE 593 1HG1 ILE 593 -15.363 -1.173 -8.404 894 HG21 ILE 593 1HG2 ILE 593 -12.904 -0.834 -7.415 895 HG22 ILE 593 2HG2 ILE 593 -12.390 0.700 -8.115 896 HG23 ILE 593 3HG2 ILE 593 -11.621 -0.804 -8.623 897 HD11 ILE 593 3HD1 ILE 593 -14.649 0.526 -6.928 898 HD12 ILE 593 1HD1 ILE 593 -16.141 1.091 -7.678 899 HD13 ILE 593 2HD1 ILE 593 -14.587 1.720 -8.225 900 H TRP 594 H TRP 594 -11.711 -0.723 -12.198 901 HA TRP 594 HA TRP 594 -9.265 0.143 -10.969 902 HB2 TRP 594 2HB TRP 594 -9.535 -2.108 -12.033 903 HB3 TRP 594 1HB TRP 594 -9.634 -1.307 -13.595 904 HD1 TRP 594 HD TRP 594 -7.393 -0.401 -14.652 905 HE1 TRP 594 1HE TRP 594 -4.910 -0.741 -14.057 906 HE3 TRP 594 3HE TRP 594 -7.959 -2.455 -10.015 907 HZ2 TRP 594 2HZ TRP 594 -3.394 -1.769 -11.896 908 HZ3 TRP 594 3HZ TRP 594 -5.952 -3.090 -8.749 909 HH2 TRP 594 HH TRP 594 -3.722 -2.758 -9.668 910 H LYS 595 H LYS 595 -10.892 0.737 -14.072 911 HA LYS 595 HA LYS 595 -8.968 2.445 -15.151 912 HB2 LYS 595 2HB LYS 595 -10.696 1.644 -16.569 913 HB3 LYS 595 1HB LYS 595 -11.949 2.291 -15.522 914 HG2 LYS 595 2HG LYS 595 -10.058 4.278 -16.623 915 HG3 LYS 595 1HG LYS 595 -11.100 3.481 -17.801 916 HD2 LYS 595 2HD LYS 595 -12.056 4.885 -15.307 917 HD3 LYS 595 1HD LYS 595 -12.072 5.576 -16.930 918 HE2 LYS 595 2HE LYS 595 -13.371 3.251 -17.380 919 HE3 LYS 595 1HE LYS 595 -13.835 3.552 -15.707 920 HZ1 LYS 595 3HZ LYS 595 -14.324 5.926 -16.650 921 HZ2 LYS 595 1HZ LYS 595 -15.459 4.682 -16.815 922 HZ3 LYS 595 2HZ LYS 595 -14.464 5.097 -18.118 923 H LYS 596 H LYS 596 -11.781 3.127 -13.059 924 HA LYS 596 HA LYS 596 -11.369 5.914 -12.991 925 HB2 LYS 596 2HB LYS 596 -12.784 4.111 -11.021 926 HB3 LYS 596 1HB LYS 596 -12.913 5.862 -11.064 927 HG2 LYS 596 2HG LYS 596 -13.613 4.244 -13.481 928 HG3 LYS 596 1HG LYS 596 -14.763 4.402 -12.154 929 HD2 LYS 596 2HD LYS 596 -13.482 6.841 -13.345 930 HD3 LYS 596 1HD LYS 596 -14.857 6.077 -14.144 931 HE2 LYS 596 2HE LYS 596 -16.167 6.312 -12.081 932 HE3 LYS 596 1HE LYS 596 -14.799 7.115 -11.311 933 HZ1 LYS 596 3HZ LYS 596 -15.121 8.560 -13.557 934 HZ2 LYS 596 1HZ LYS 596 -15.777 8.967 -12.051 935 HZ3 LYS 596 2HZ LYS 596 -16.722 8.153 -13.193 936 H ALA 597 H ALA 597 -10.682 3.452 -10.447 937 HA ALA 597 HA ALA 597 -9.492 5.039 -8.579 938 HB1 ALA 597 1HB ALA 597 -8.547 2.282 -9.326 939 HB2 ALA 597 2HB ALA 597 -9.980 2.618 -8.356 940 HB3 ALA 597 3HB ALA 597 -8.387 3.078 -7.762 941 H GLU 598 H GLU 598 -8.012 3.634 -11.451 942 HA GLU 598 HA GLU 598 -5.351 4.377 -10.913 943 HB2 GLU 598 2HB GLU 598 -6.843 3.652 -13.412 944 HB3 GLU 598 1HB GLU 598 -5.205 4.274 -13.538 945 HG2 GLU 598 2HG GLU 598 -4.562 2.445 -11.886 946 HG3 GLU 598 1HG GLU 598 -6.149 1.754 -12.217 947 H GLU 599 H GLU 599 -8.019 6.115 -12.375 948 HA GLU 599 HA GLU 599 -6.536 8.305 -13.379 949 HB2 GLU 599 2HB GLU 599 -8.933 7.730 -13.937 950 HB3 GLU 599 1HB GLU 599 -9.385 8.395 -12.373 951 HG2 GLU 599 2HG GLU 599 -8.660 10.569 -12.998 952 HG3 GLU 599 1HG GLU 599 -7.905 9.960 -14.470 953 H ALA 600 H ALA 600 -8.185 7.768 -10.277 954 HA ALA 600 HA ALA 600 -7.789 10.246 -9.108 955 HB1 ALA 600 1HB ALA 600 -8.237 9.227 -7.039 956 HB2 ALA 600 2HB ALA 600 -7.612 7.669 -7.579 957 HB3 ALA 600 3HB ALA 600 -9.129 8.285 -8.232 958 H VAL 601 H VAL 601 -5.589 7.459 -9.135 959 HA VAL 601 HA VAL 601 -3.633 8.728 -7.491 960 HB VAL 601 HB VAL 601 -3.180 6.375 -9.327 961 HG11 VAL 601 1HG1 VAL 601 -1.487 5.819 -7.549 962 HG12 VAL 601 2HG1 VAL 601 -1.746 7.438 -6.903 963 HG13 VAL 601 3HG1 VAL 601 -1.115 7.231 -8.537 964 HG21 VAL 601 3HG2 VAL 601 -4.300 6.507 -6.532 965 HG22 VAL 601 1HG2 VAL 601 -3.641 5.034 -7.243 966 HG23 VAL 601 2HG2 VAL 601 -5.049 5.807 -7.965 967 H ASN 602 H ASN 602 -3.899 8.183 -10.977 968 HA ASN 602 HA ASN 602 -1.389 9.250 -11.695 969 HB2 ASN 602 2HB ASN 602 -2.898 7.887 -13.177 970 HB3 ASN 602 1HB ASN 602 -3.907 9.317 -13.367 971 HD21 ASN 602 1HD2 ASN 602 -3.145 11.060 -14.555 972 HD22 ASN 602 2HD2 ASN 602 -1.791 10.925 -15.619 973 H GLU 603 H GLU 603 -4.506 10.731 -11.094 974 HA GLU 603 HA GLU 603 -3.754 13.315 -12.074 975 HB2 GLU 603 2HB GLU 603 -6.056 12.280 -10.435 976 HB3 GLU 603 1HB GLU 603 -5.842 14.003 -10.704 977 HG2 GLU 603 2HG GLU 603 -5.852 13.540 -13.158 978 HG3 GLU 603 1HG GLU 603 -6.290 11.875 -12.779 979 H VAL 604 H VAL 604 -4.203 12.044 -8.737 980 HA VAL 604 HA VAL 604 -3.336 14.412 -7.516 981 HB VAL 604 HB VAL 604 -4.647 12.466 -6.479 982 HG11 VAL 604 1HG1 VAL 604 -3.492 10.741 -5.398 983 HG12 VAL 604 2HG1 VAL 604 -1.930 11.539 -5.596 984 HG13 VAL 604 3HG1 VAL 604 -2.743 10.828 -6.992 985 HG21 VAL 604 3HG2 VAL 604 -2.497 14.038 -5.090 986 HG22 VAL 604 1HG2 VAL 604 -3.646 13.040 -4.211 987 HG23 VAL 604 2HG2 VAL 604 -4.224 14.381 -5.189 988 H LYS 605 H LYS 605 -1.521 11.679 -8.717 989 HA LYS 605 HA LYS 605 0.881 12.386 -7.299 990 HB2 LYS 605 2HB LYS 605 2.019 10.712 -8.680 991 HB3 LYS 605 1HB LYS 605 0.561 10.075 -7.944 992 HG2 LYS 605 2HG LYS 605 0.066 9.284 -9.962 993 HG3 LYS 605 1HG LYS 605 -0.361 10.936 -10.375 994 HD2 LYS 605 2HD LYS 605 1.134 10.722 -12.041 995 HD3 LYS 605 1HD LYS 605 2.364 10.915 -10.794 996 HE2 LYS 605 2HE LYS 605 1.359 8.411 -12.097 997 HE3 LYS 605 1HE LYS 605 3.016 8.977 -11.913 998 HZ1 LYS 605 3HZ LYS 605 1.415 7.384 -10.140 999 HZ2 LYS 605 1HZ LYS 605 2.177 8.674 -9.354 1000 HZ3 LYS 605 2HZ LYS 605 3.095 7.550 -10.222 1001 H ARG 606 H ARG 606 -0.300 12.843 -10.600 1002 HA ARG 606 HA ARG 606 1.989 14.216 -11.544 1003 HB2 ARG 606 2HB ARG 606 -0.025 13.232 -12.873 1004 HB3 ARG 606 1HB ARG 606 -0.791 14.783 -12.556 1005 HG2 ARG 606 2HG ARG 606 1.242 15.860 -13.593 1006 HG3 ARG 606 1HG ARG 606 1.727 14.243 -14.109 1007 HD2 ARG 606 2HD ARG 606 0.590 14.979 -15.970 1008 HD3 ARG 606 1HD ARG 606 -0.701 14.158 -15.096 1009 HE ARG 606 HE ARG 606 -0.752 16.786 -14.255 1010 HH11 ARG 606 1HH1 ARG 606 -1.127 15.074 -17.274 1011 HH12 ARG 606 2HH1 ARG 606 -2.183 16.261 -17.960 1012 HH21 ARG 606 1HH2 ARG 606 -2.143 18.348 -15.156 1013 HH22 ARG 606 2HH2 ARG 606 -2.761 18.120 -16.758 1014 H GLN 607 H GLN 607 -0.663 15.099 -9.517 1015 HA GLN 607 HA GLN 607 -0.400 17.941 -9.869 1016 HB2 GLN 607 2HB GLN 607 -2.175 16.124 -8.445 1017 HB3 GLN 607 1HB GLN 607 -1.735 17.494 -7.444 1018 HG2 GLN 607 2HG GLN 607 -3.631 18.270 -8.463 1019 HG3 GLN 607 1HG GLN 607 -2.389 18.898 -9.541 1020 HE21 GLN 607 1HE2 GLN 607 -4.621 16.202 -9.081 1021 HE22 GLN 607 2HE2 GLN 607 -4.871 15.890 -10.762 1022 H ALA 608 H ALA 608 0.362 15.750 -7.102 1023 HA ALA 608 HA ALA 608 1.432 17.473 -5.304 1024 HB1 ALA 608 1HB ALA 608 2.195 14.682 -6.063 1025 HB2 ALA 608 2HB ALA 608 1.217 15.228 -4.703 1026 HB3 ALA 608 3HB ALA 608 2.959 15.510 -4.709 1027 H MET 609 H MET 609 2.945 16.312 -8.221 1028 HA MET 609 HA MET 609 5.589 17.080 -7.678 1029 HB2 MET 609 2HB MET 609 6.060 16.790 -9.947 1030 HB3 MET 609 1HB MET 609 4.677 15.739 -9.683 1031 HG2 MET 609 2HG MET 609 3.985 16.740 -11.595 1032 HG3 MET 609 1HG MET 609 3.345 17.904 -10.439 1033 HE1 MET 609 3HE MET 609 5.049 19.445 -13.912 1034 HE2 MET 609 1HE MET 609 3.626 18.542 -13.393 1035 HE3 MET 609 2HE MET 609 5.130 17.691 -13.746 1036 H THR 610 H THR 610 2.820 18.975 -8.537 1037 HA THR 610 HA THR 610 4.252 21.337 -9.307 1038 HB THR 610 HB THR 610 1.379 20.809 -8.569 1039 HG1 THR 610 1HG THR 610 1.998 20.141 -10.617 1040 HG21 THR 610 3HG2 THR 610 0.929 23.107 -9.499 1041 HG22 THR 610 1HG2 THR 610 2.640 23.445 -9.233 1042 HG23 THR 610 2HG2 THR 610 1.599 23.035 -7.867 1043 H GLU 611 H GLU 611 2.708 20.227 -6.327 1044 HA GLU 611 HA GLU 611 3.002 22.571 -4.824 1045 HB2 GLU 611 2HB GLU 611 2.771 19.671 -4.100 1046 HB3 GLU 611 1HB GLU 611 3.018 20.879 -2.846 1047 HG2 GLU 611 2HG GLU 611 0.779 21.019 -4.842 1048 HG3 GLU 611 1HG GLU 611 0.639 20.196 -3.290 1049 H LEU 612 H LEU 612 5.255 20.027 -5.532 1050 HA LEU 612 HA LEU 612 7.237 21.097 -3.677 1051 HB2 LEU 612 2HB LEU 612 8.693 19.263 -4.425 1052 HB3 LEU 612 1HB LEU 612 7.169 18.735 -3.748 1053 HG LEU 612 HG LEU 612 6.439 18.634 -6.286 1054 HD11 LEU 612 1HD1 LEU 612 9.439 18.453 -6.407 1055 HD12 LEU 612 2HD1 LEU 612 8.379 19.514 -7.330 1056 HD13 LEU 612 3HD1 LEU 612 8.379 17.783 -7.646 1057 HD21 LEU 612 3HD2 LEU 612 8.125 16.618 -4.826 1058 HD22 LEU 612 1HD2 LEU 612 7.271 16.264 -6.327 1059 HD23 LEU 612 2HD2 LEU 612 6.365 16.717 -4.882 1060 H GLN 613 H GLN 613 6.482 21.270 -7.037 1061 HA GLN 613 HA GLN 613 9.080 22.143 -7.883 1062 HB2 GLN 613 2HB GLN 613 7.406 21.056 -9.386 1063 HB3 GLN 613 1HB GLN 613 6.432 22.516 -9.290 1064 HG2 GLN 613 2HG GLN 613 7.940 23.761 -10.530 1065 HG3 GLN 613 1HG GLN 613 9.280 22.668 -10.187 1066 HE21 GLN 613 1HE2 GLN 613 9.287 20.600 -11.239 1067 HE22 GLN 613 2HE2 GLN 613 8.518 20.411 -12.775 1068 H LYS 614 H LYS 614 7.104 23.591 -5.801 1069 HA LYS 614 HA LYS 614 7.877 26.286 -6.696 1070 HB2 LYS 614 2HB LYS 614 5.765 27.197 -5.940 1071 HB3 LYS 614 1HB LYS 614 5.476 25.951 -7.143 1072 HG2 LYS 614 2HG LYS 614 4.127 24.882 -5.737 1073 HG3 LYS 614 1HG LYS 614 5.443 24.710 -4.578 1074 HD2 LYS 614 2HD LYS 614 4.899 27.043 -3.787 1075 HD3 LYS 614 1HD LYS 614 3.452 26.963 -4.794 1076 HE2 LYS 614 2HE LYS 614 2.707 26.320 -2.675 1077 HE3 LYS 614 1HE LYS 614 2.928 24.793 -3.528 1078 HZ1 LYS 614 3HZ LYS 614 3.844 24.658 -1.318 1079 HZ2 LYS 614 1HZ LYS 614 4.824 26.010 -1.591 1080 HZ3 LYS 614 2HZ LYS 614 5.100 24.578 -2.447 1081 H ALA 615 H ALA 615 9.120 24.438 -4.820 1082 HA ALA 615 HA ALA 615 8.533 25.268 -2.155 1083 HB1 ALA 615 1HB ALA 615 10.930 23.855 -3.312 1084 HB2 ALA 615 2HB ALA 615 9.535 23.115 -2.527 1085 HB3 ALA 615 3HB ALA 615 10.652 24.107 -1.589 Start of MODEL 4 1 H1 GLY -7 1HT GLY -7 -20.316 -5.164 -5.954 2 H2 GLY -7 2HT GLY -7 -19.329 -4.375 -7.079 3 H3 GLY -7 3HT GLY -7 -20.243 -5.717 -7.551 4 HA2 GLY -7 1HA GLY -7 -21.321 -3.088 -6.693 5 HA3 GLY -7 2HA GLY -7 -21.261 -3.681 -8.346 6 H ALA -6 H ALA -6 -23.161 -4.392 -9.056 7 HA ALA -6 HA ALA -6 -24.700 -6.323 -7.665 8 HB1 ALA -6 1HB ALA -6 -25.390 -4.493 -6.272 9 HB2 ALA -6 2HB ALA -6 -26.737 -4.941 -7.318 10 HB3 ALA -6 3HB ALA -6 -25.778 -3.507 -7.682 11 H MET -5 H MET -5 -25.586 -7.516 -9.217 12 HA MET -5 HA MET -5 -26.710 -8.122 -11.104 13 HB2 MET -5 2HB MET -5 -27.892 -5.805 -10.643 14 HB3 MET -5 1HB MET -5 -26.977 -5.292 -12.053 15 HG2 MET -5 2HG MET -5 -29.093 -5.943 -12.837 16 HG3 MET -5 1HG MET -5 -27.986 -7.241 -13.280 17 HE1 MET -5 3HE MET -5 -31.156 -7.728 -13.325 18 HE2 MET -5 1HE MET -5 -31.158 -9.340 -12.610 19 HE3 MET -5 2HE MET -5 -29.893 -8.883 -13.751 20 H GLY -4 H GLY -4 -23.828 -7.665 -10.904 21 HA2 GLY -4 2HA GLY -4 -21.998 -7.840 -12.270 22 HA3 GLY -4 1HA GLY -4 -23.119 -8.191 -13.576 23 H SER -3 H SER -3 -22.681 -6.902 -15.247 24 HA SER -3 HA SER -3 -21.266 -4.510 -15.156 25 HB2 SER -3 2HB SER -3 -21.865 -4.210 -17.451 26 HB3 SER -3 1HB SER -3 -21.727 -5.949 -17.192 27 HG SER -3 HG SER -3 -23.616 -5.578 -18.302 28 H MET -2 H MET -2 -22.383 -2.451 -16.284 29 HA MET -2 HA MET -2 -23.623 -0.587 -15.884 30 HB2 MET -2 2HB MET -2 -25.671 -2.772 -15.600 31 HB3 MET -2 1HB MET -2 -26.116 -1.090 -15.359 32 HG2 MET -2 2HG MET -2 -26.601 -1.867 -17.623 33 HG3 MET -2 1HG MET -2 -25.436 -0.545 -17.607 34 HE1 MET -2 3HE MET -2 -24.376 -0.658 -19.699 35 HE2 MET -2 1HE MET -2 -23.126 -1.821 -20.141 36 HE3 MET -2 2HE MET -2 -22.921 -0.804 -18.715 37 H SER -1 H SER -1 -22.895 0.488 -14.147 38 HA SER -1 HA SER -1 -24.179 -0.012 -11.574 39 HB2 SER -1 2HB SER -1 -22.066 -1.348 -11.585 40 HB3 SER -1 1HB SER -1 -21.165 0.149 -11.827 41 HG SER -1 HG SER -1 -22.937 -0.245 -9.655 42 H HIS 2 H HIS 2 -22.272 1.743 -10.187 43 HA HIS 2 HA HIS 2 -22.379 4.288 -11.555 44 HB2 HIS 2 2HB HIS 2 -24.677 3.955 -10.545 45 HB3 HIS 2 1HB HIS 2 -23.906 3.982 -8.963 46 HD1 HIS 2 1HD HIS 2 -25.749 6.128 -10.975 47 HD2 HIS 2 2HD HIS 2 -22.148 6.568 -8.949 48 HE1 HIS 2 1HE HIS 2 -25.431 8.607 -10.701 49 HE2 HIS 2 2HE HIS 2 -23.202 8.851 -9.551 50 H ILE 3 H ILE 3 -20.467 5.152 -11.131 51 HA ILE 3 HA ILE 3 -19.396 5.050 -8.397 52 HB ILE 3 HB ILE 3 -17.729 4.503 -10.864 53 HG12 ILE 3 2HG1 ILE 3 -17.974 2.450 -8.721 54 HG13 ILE 3 1HG1 ILE 3 -19.377 2.651 -9.756 55 HG21 ILE 3 1HG2 ILE 3 -17.052 4.638 -7.937 56 HG22 ILE 3 2HG2 ILE 3 -16.422 5.640 -9.245 57 HG23 ILE 3 3HG2 ILE 3 -15.985 3.935 -9.152 58 HD11 ILE 3 3HD1 ILE 3 -18.240 1.969 -11.653 59 HD12 ILE 3 1HD1 ILE 3 -17.625 0.906 -10.389 60 HD13 ILE 3 2HD1 ILE 3 -16.658 2.277 -10.933 61 H GLN 4 H GLN 4 -18.053 6.820 -7.860 62 HA GLN 4 HA GLN 4 -17.552 8.864 -9.854 63 HB2 GLN 4 2HB GLN 4 -18.717 10.634 -8.628 64 HB3 GLN 4 1HB GLN 4 -19.833 9.390 -9.171 65 HG2 GLN 4 2HG GLN 4 -19.522 8.403 -6.803 66 HG3 GLN 4 1HG GLN 4 -18.888 9.999 -6.399 67 HE21 GLN 4 1HE2 GLN 4 -20.518 11.590 -7.961 68 HE22 GLN 4 2HE2 GLN 4 -22.140 11.495 -7.371 69 H ILE 5 H ILE 5 -15.504 9.436 -9.517 70 HA ILE 5 HA ILE 5 -13.835 8.821 -7.491 71 HB ILE 5 HB ILE 5 -13.829 11.449 -8.983 72 HG12 ILE 5 2HG1 ILE 5 -13.725 9.590 -10.527 73 HG13 ILE 5 1HG1 ILE 5 -12.117 10.291 -10.403 74 HG21 ILE 5 1HG2 ILE 5 -11.729 10.115 -7.295 75 HG22 ILE 5 2HG2 ILE 5 -12.404 11.734 -7.119 76 HG23 ILE 5 3HG2 ILE 5 -11.352 11.361 -8.484 77 HD11 ILE 5 3HD1 ILE 5 -11.716 8.019 -10.352 78 HD12 ILE 5 1HD1 ILE 5 -13.126 7.688 -9.346 79 HD13 ILE 5 2HD1 ILE 5 -11.701 8.456 -8.643 80 HA PRO 6 HA PRO 6 -16.125 10.710 -4.009 81 HB2 PRO 6 2HB PRO 6 -13.643 9.646 -2.714 82 HB3 PRO 6 1HB PRO 6 -15.323 9.558 -2.169 83 HG2 PRO 6 2HG PRO 6 -14.179 7.443 -3.269 84 HG3 PRO 6 1HG PRO 6 -15.855 7.865 -3.675 85 HD2 PRO 6 2HD PRO 6 -13.362 8.239 -5.277 86 HD3 PRO 6 1HD PRO 6 -15.000 7.827 -5.817 87 HA PRO 7 HA PRO 7 -13.726 14.578 -4.496 88 HB2 PRO 7 2HB PRO 7 -15.798 15.375 -2.486 89 HB3 PRO 7 1HB PRO 7 -15.253 16.224 -3.939 90 HG2 PRO 7 2HG PRO 7 -17.577 14.938 -3.925 91 HG3 PRO 7 1HG PRO 7 -16.527 14.893 -5.353 92 HD2 PRO 7 2HD PRO 7 -17.016 12.786 -3.292 93 HD3 PRO 7 1HD PRO 7 -16.726 12.618 -5.036 94 H GLY 8 H GLY 8 -12.130 15.494 -3.228 95 HA2 GLY 8 2HA GLY 8 -10.986 16.030 -1.260 96 HA3 GLY 8 1HA GLY 8 -12.119 15.046 -0.350 97 H LEU 9 H LEU 9 -11.651 12.751 -2.257 98 HA LEU 9 HA LEU 9 -9.736 11.367 -0.783 99 HB2 LEU 9 2HB LEU 9 -11.545 10.557 -2.489 100 HB3 LEU 9 1HB LEU 9 -10.253 10.703 -3.662 101 HG LEU 9 HG LEU 9 -10.352 8.882 -1.259 102 HD11 LEU 9 1HD1 LEU 9 -10.260 8.373 -4.230 103 HD12 LEU 9 2HD1 LEU 9 -11.622 8.083 -3.146 104 HD13 LEU 9 3HD1 LEU 9 -10.150 7.127 -2.985 105 HD21 LEU 9 3HD2 LEU 9 -8.140 8.044 -2.246 106 HD22 LEU 9 1HD2 LEU 9 -8.109 9.534 -1.305 107 HD23 LEU 9 2HD2 LEU 9 -8.067 9.603 -3.068 108 H THR 10 H THR 10 -9.404 13.138 -3.824 109 HA THR 10 HA THR 10 -6.790 12.430 -4.412 110 HB THR 10 HB THR 10 -8.170 15.056 -4.968 111 HG1 THR 10 1HG THR 10 -9.356 13.520 -5.937 112 HG21 THR 10 3HG2 THR 10 -6.463 14.386 -7.082 113 HG22 THR 10 1HG2 THR 10 -5.505 14.183 -5.614 114 HG23 THR 10 2HG2 THR 10 -6.294 15.725 -5.947 115 H GLU 11 H GLU 11 -7.996 15.054 -2.366 116 HA GLU 11 HA GLU 11 -5.480 16.239 -1.893 117 HB2 GLU 11 2HB GLU 11 -6.625 17.737 -0.644 118 HB3 GLU 11 1HB GLU 11 -8.042 16.948 -1.316 119 HG2 GLU 11 2HG GLU 11 -8.011 15.451 0.718 120 HG3 GLU 11 1HG GLU 11 -6.802 16.541 1.390 121 H LEU 12 H LEU 12 -7.089 13.495 -0.447 122 HA LEU 12 HA LEU 12 -5.424 13.360 1.867 123 HB2 LEU 12 2HB LEU 12 -7.514 11.684 0.630 124 HB3 LEU 12 1HB LEU 12 -6.319 10.803 1.563 125 HG LEU 12 HG LEU 12 -8.295 11.349 2.892 126 HD11 LEU 12 1HD1 LEU 12 -6.102 13.061 3.994 127 HD12 LEU 12 2HD1 LEU 12 -5.870 11.323 3.808 128 HD13 LEU 12 3HD1 LEU 12 -7.176 11.935 4.822 129 HD21 LEU 12 3HD2 LEU 12 -8.945 13.569 3.412 130 HD22 LEU 12 1HD2 LEU 12 -8.800 13.477 1.657 131 HD23 LEU 12 2HD2 LEU 12 -7.527 14.242 2.609 132 H LEU 13 H LEU 13 -5.390 11.772 -1.297 133 HA LEU 13 HA LEU 13 -3.132 10.122 -0.718 134 HB2 LEU 13 2HB LEU 13 -4.105 10.990 -3.433 135 HB3 LEU 13 1HB LEU 13 -3.105 9.602 -3.072 136 HG LEU 13 HG LEU 13 -5.950 9.895 -2.117 137 HD11 LEU 13 1HD1 LEU 13 -6.074 9.828 -4.490 138 HD12 LEU 13 2HD1 LEU 13 -6.430 8.198 -3.915 139 HD13 LEU 13 3HD1 LEU 13 -4.841 8.570 -4.583 140 HD21 LEU 13 3HD2 LEU 13 -4.661 8.377 -0.763 141 HD22 LEU 13 1HD2 LEU 13 -4.039 7.566 -2.199 142 HD23 LEU 13 2HD2 LEU 13 -5.750 7.448 -1.791 143 H GLN 14 H GLN 14 -3.559 13.259 -2.295 144 HA GLN 14 HA GLN 14 -1.006 13.611 -3.312 145 HB2 GLN 14 2HB GLN 14 -3.206 15.087 -3.422 146 HB3 GLN 14 1HB GLN 14 -2.426 15.954 -2.107 147 HG2 GLN 14 2HG GLN 14 -0.409 16.155 -3.621 148 HG3 GLN 14 1HG GLN 14 -1.449 15.571 -4.920 149 HE21 GLN 14 1HE2 GLN 14 -0.501 18.244 -3.045 150 HE22 GLN 14 2HE2 GLN 14 -1.592 19.404 -3.715 151 H GLY 15 H GLY 15 -2.234 14.288 -0.058 152 HA2 GLY 15 2HA GLY 15 -0.035 15.613 1.011 153 HA3 GLY 15 1HA GLY 15 -1.128 14.592 1.933 154 H TYR 16 H TYR 16 -0.660 12.108 0.955 155 HA TYR 16 HA TYR 16 1.776 11.402 2.218 156 HB2 TYR 16 2HB TYR 16 0.016 9.779 2.188 157 HB3 TYR 16 1HB TYR 16 -0.115 9.855 0.437 158 HD1 TYR 16 1HD TYR 16 1.874 8.556 3.252 159 HD2 TYR 16 2HD TYR 16 1.392 8.611 -0.976 160 HE1 TYR 16 1HE TYR 16 3.414 6.640 3.060 161 HE2 TYR 16 2HE TYR 16 2.921 6.697 -1.180 162 HH TYR 16 HH TYR 16 3.609 4.665 0.821 163 H THR 17 H THR 17 0.792 11.732 -1.144 164 HA THR 17 HA THR 17 3.045 10.780 -2.432 165 HB THR 17 HB THR 17 1.477 13.154 -3.412 166 HG1 THR 17 1HG THR 17 -0.139 11.791 -3.993 167 HG21 THR 17 3HG2 THR 17 3.393 12.180 -4.775 168 HG22 THR 17 1HG2 THR 17 1.827 12.334 -5.574 169 HG23 THR 17 2HG2 THR 17 2.364 10.760 -4.981 170 H VAL 18 H VAL 18 2.360 14.226 -1.749 171 HA VAL 18 HA VAL 18 4.802 15.249 -2.585 172 HB VAL 18 HB VAL 18 4.369 17.188 -1.098 173 HG11 VAL 18 1HG1 VAL 18 3.352 16.945 -3.356 174 HG12 VAL 18 2HG1 VAL 18 2.429 17.965 -2.251 175 HG13 VAL 18 3HG1 VAL 18 1.896 16.316 -2.577 176 HG21 VAL 18 3HG2 VAL 18 3.382 16.001 0.802 177 HG22 VAL 18 1HG2 VAL 18 1.979 15.589 -0.181 178 HG23 VAL 18 2HG2 VAL 18 2.306 17.270 0.217 179 H GLU 19 H GLU 19 3.951 13.765 0.485 180 HA GLU 19 HA GLU 19 6.283 14.607 1.876 181 HB2 GLU 19 2HB GLU 19 4.287 12.402 2.362 182 HB3 GLU 19 1HB GLU 19 5.660 12.674 3.423 183 HG2 GLU 19 2HG GLU 19 4.338 15.168 3.027 184 HG3 GLU 19 1HG GLU 19 3.131 13.958 3.444 185 H VAL 20 H VAL 20 5.425 11.622 0.149 186 HA VAL 20 HA VAL 20 7.879 10.300 0.664 187 HB VAL 20 HB VAL 20 5.812 9.899 -1.504 188 HG11 VAL 20 1HG1 VAL 20 8.430 8.545 -1.063 189 HG12 VAL 20 2HG1 VAL 20 7.599 8.930 -2.567 190 HG13 VAL 20 3HG1 VAL 20 7.058 7.570 -1.585 191 HG21 VAL 20 3HG2 VAL 20 6.440 8.363 1.013 192 HG22 VAL 20 1HG2 VAL 20 5.241 7.900 -0.193 193 HG23 VAL 20 2HG2 VAL 20 5.033 9.386 0.729 194 H LEU 21 H LEU 21 6.764 12.516 -1.788 195 HA LEU 21 HA LEU 21 9.023 12.228 -3.522 196 HB2 LEU 21 2HB LEU 21 6.551 13.814 -3.414 197 HB3 LEU 21 1HB LEU 21 7.901 14.693 -4.097 198 HG LEU 21 HG LEU 21 8.173 13.065 -5.838 199 HD11 LEU 21 1HD1 LEU 21 6.451 11.183 -5.992 200 HD12 LEU 21 2HD1 LEU 21 6.154 11.477 -4.279 201 HD13 LEU 21 3HD1 LEU 21 7.757 10.989 -4.827 202 HD21 LEU 21 3HD2 LEU 21 6.564 14.736 -6.348 203 HD22 LEU 21 1HD2 LEU 21 5.318 13.915 -5.406 204 HD23 LEU 21 2HD2 LEU 21 5.905 13.198 -6.908 205 H ARG 22 H ARG 22 8.114 14.398 -0.902 206 HA ARG 22 HA ARG 22 10.456 16.055 -1.270 207 HB2 ARG 22 2HB ARG 22 8.384 17.095 -0.596 208 HB3 ARG 22 1HB ARG 22 8.274 16.053 0.811 209 HG2 ARG 22 2HG ARG 22 10.740 17.657 0.630 210 HG3 ARG 22 1HG ARG 22 9.251 18.579 0.844 211 HD2 ARG 22 2HD ARG 22 10.189 16.308 2.588 212 HD3 ARG 22 1HD ARG 22 10.285 18.022 2.984 213 HE ARG 22 HE ARG 22 7.621 17.243 2.372 214 HH11 ARG 22 1HH1 ARG 22 10.034 17.110 4.892 215 HH12 ARG 22 2HH1 ARG 22 8.871 17.026 6.172 216 HH21 ARG 22 1HH2 ARG 22 6.093 17.133 4.056 217 HH22 ARG 22 2HH2 ARG 22 6.635 17.038 5.698 218 H GLN 23 H GLN 23 9.573 13.269 0.605 219 HA GLN 23 HA GLN 23 11.982 13.600 2.281 220 HB2 GLN 23 2HB GLN 23 9.586 13.329 3.282 221 HB3 GLN 23 1HB GLN 23 9.797 11.631 2.883 222 HG2 GLN 23 2HG GLN 23 11.479 13.295 4.738 223 HG3 GLN 23 1HG GLN 23 10.410 11.960 5.162 224 HE21 GLN 23 1HE2 GLN 23 13.500 12.877 3.938 225 HE22 GLN 23 2HE2 GLN 23 14.196 11.296 3.907 226 H GLN 24 H GLN 24 10.088 11.081 0.612 227 HA GLN 24 HA GLN 24 10.712 9.181 -0.463 228 HB2 GLN 24 2HB GLN 24 13.553 10.195 -0.391 229 HB3 GLN 24 1HB GLN 24 12.847 9.051 -1.521 230 HG2 GLN 24 2HG GLN 24 11.487 10.791 -2.495 231 HG3 GLN 24 1HG GLN 24 12.079 11.953 -1.310 232 HE21 GLN 24 1HE2 GLN 24 12.426 12.868 -3.653 233 HE22 GLN 24 2HE2 GLN 24 14.029 12.658 -4.262 234 HA PRO 25 HA PRO 25 12.242 7.182 3.351 235 HB2 PRO 25 2HB PRO 25 10.136 5.676 3.896 236 HB3 PRO 25 1HB PRO 25 10.036 7.429 4.100 237 HG2 PRO 25 2HG PRO 25 8.995 5.719 1.876 238 HG3 PRO 25 1HG PRO 25 8.236 7.109 2.667 239 HD2 PRO 25 2HD PRO 25 9.665 7.174 0.257 240 HD3 PRO 25 1HD PRO 25 9.245 8.580 1.251 241 HA PRO 26 HA PRO 26 13.589 3.300 1.673 242 HB2 PRO 26 2HB PRO 26 13.131 1.803 4.138 243 HB3 PRO 26 1HB PRO 26 14.658 2.344 3.438 244 HG2 PRO 26 2HG PRO 26 13.635 3.382 5.730 245 HG3 PRO 26 1HG PRO 26 14.651 4.315 4.615 246 HD2 PRO 26 2HD PRO 26 11.666 4.313 4.910 247 HD3 PRO 26 1HD PRO 26 12.777 5.683 4.695 248 H ASP 27 H ASP 27 10.558 3.176 3.478 249 HA ASP 27 HA ASP 27 9.570 1.134 1.601 250 HB2 ASP 27 2HB ASP 27 9.305 1.151 4.606 251 HB3 ASP 27 1HB ASP 27 8.223 0.221 3.574 252 H LEU 28 H LEU 28 7.587 1.459 0.817 253 HA LEU 28 HA LEU 28 6.361 4.021 1.251 254 HB2 LEU 28 2HB LEU 28 5.353 1.707 -0.400 255 HB3 LEU 28 1HB LEU 28 4.848 3.382 -0.523 256 HG LEU 28 HG LEU 28 7.695 2.555 -1.051 257 HD11 LEU 28 1HD1 LEU 28 7.049 2.625 -3.479 258 HD12 LEU 28 2HD1 LEU 28 5.367 2.558 -2.955 259 HD13 LEU 28 3HD1 LEU 28 6.460 1.228 -2.578 260 HD21 LEU 28 3HD2 LEU 28 6.026 4.938 -1.845 261 HD22 LEU 28 1HD2 LEU 28 7.672 4.630 -2.400 262 HD23 LEU 28 2HD2 LEU 28 7.356 4.913 -0.688 263 H VAL 29 H VAL 29 5.276 0.643 1.624 264 HA VAL 29 HA VAL 29 2.776 1.155 2.725 265 HB VAL 29 HB VAL 29 3.512 -1.084 1.998 266 HG11 VAL 29 1HG1 VAL 29 4.980 -2.442 3.269 267 HG12 VAL 29 2HG1 VAL 29 5.021 -1.279 4.594 268 HG13 VAL 29 3HG1 VAL 29 5.795 -0.892 3.059 269 HG21 VAL 29 3HG2 VAL 29 1.581 -0.745 3.551 270 HG22 VAL 29 1HG2 VAL 29 2.665 -1.121 4.891 271 HG23 VAL 29 2HG2 VAL 29 2.333 -2.336 3.656 272 H GLU 30 H GLU 30 5.935 0.966 4.266 273 HA GLU 30 HA GLU 30 5.016 1.112 6.941 274 HB2 GLU 30 2HB GLU 30 7.317 0.386 6.096 275 HB3 GLU 30 1HB GLU 30 7.688 2.095 5.948 276 HG2 GLU 30 2HG GLU 30 6.659 1.093 8.558 277 HG3 GLU 30 1HG GLU 30 8.321 0.722 8.106 278 H PHE 31 H PHE 31 6.408 3.571 4.784 279 HA PHE 31 HA PHE 31 6.104 5.752 6.492 280 HB2 PHE 31 2HB PHE 31 7.444 5.675 4.377 281 HB3 PHE 31 1HB PHE 31 5.934 5.836 3.486 282 HD1 PHE 31 2HD PHE 31 7.883 7.487 6.191 283 HD2 PHE 31 1HD PHE 31 5.186 7.948 2.938 284 HE1 PHE 31 2HE PHE 31 8.032 9.932 6.425 285 HE2 PHE 31 1HE PHE 31 5.327 10.397 3.161 286 HZ PHE 31 HZ PHE 31 6.755 11.390 4.912 287 H ALA 32 H ALA 32 3.773 4.135 4.484 288 HA ALA 32 HA ALA 32 1.842 6.203 4.393 289 HB1 ALA 32 1HB ALA 32 0.281 4.416 3.749 290 HB2 ALA 32 2HB ALA 32 1.523 3.223 4.136 291 HB3 ALA 32 3HB ALA 32 1.787 4.382 2.830 292 H VAL 33 H VAL 33 2.363 3.528 6.653 293 HA VAL 33 HA VAL 33 0.040 4.064 8.232 294 HB VAL 33 HB VAL 33 2.380 2.928 9.666 295 HG11 VAL 33 1HG1 VAL 33 -0.448 1.975 9.241 296 HG12 VAL 33 2HG1 VAL 33 0.137 2.923 10.609 297 HG13 VAL 33 3HG1 VAL 33 0.722 1.278 10.363 298 HG21 VAL 33 3HG2 VAL 33 1.936 0.672 8.477 299 HG22 VAL 33 1HG2 VAL 33 3.005 1.840 7.707 300 HG23 VAL 33 2HG2 VAL 33 1.340 1.668 7.151 301 H GLU 34 H GLU 34 3.519 4.722 8.846 302 HA GLU 34 HA GLU 34 3.233 6.328 11.061 303 HB2 GLU 34 2HB GLU 34 5.227 6.518 8.803 304 HB3 GLU 34 1HB GLU 34 5.357 7.460 10.282 305 HG2 GLU 34 2HG GLU 34 5.387 5.321 11.557 306 HG3 GLU 34 1HG GLU 34 5.456 4.466 10.017 307 H TYR 35 H TYR 35 2.661 7.131 7.702 308 HA TYR 35 HA TYR 35 2.418 9.957 8.172 309 HB2 TYR 35 2HB TYR 35 3.156 9.134 5.995 310 HB3 TYR 35 1HB TYR 35 1.619 8.303 5.771 311 HD1 TYR 35 2HD TYR 35 2.985 11.718 6.424 312 HD2 TYR 35 1HD TYR 35 -0.077 9.395 4.596 313 HE1 TYR 35 2HE TYR 35 2.046 13.758 5.412 314 HE2 TYR 35 1HE TYR 35 -1.018 11.429 3.583 315 HH TYR 35 HH TYR 35 0.645 14.442 3.621 316 H PHE 36 H PHE 36 0.074 7.339 7.470 317 HA PHE 36 HA PHE 36 -2.175 9.075 7.674 318 HB2 PHE 36 2HB PHE 36 -1.761 6.142 7.347 319 HB3 PHE 36 1HB PHE 36 -3.338 6.686 7.902 320 HD1 PHE 36 1HD PHE 36 -4.330 8.707 6.510 321 HD2 PHE 36 2HD PHE 36 -1.453 5.928 5.058 322 HE1 PHE 36 1HE PHE 36 -5.001 9.222 4.202 323 HE2 PHE 36 2HE PHE 36 -2.119 6.440 2.746 324 HZ PHE 36 HZ PHE 36 -3.898 8.090 2.316 325 H THR 37 H THR 37 -0.907 6.551 9.872 326 HA THR 37 HA THR 37 -2.845 6.802 11.835 327 HB THR 37 HB THR 37 -0.164 6.313 12.933 328 HG1 THR 37 1HG THR 37 -1.083 4.740 10.764 329 HG21 THR 37 3HG2 THR 37 -1.110 4.509 13.955 330 HG22 THR 37 1HG2 THR 37 -2.206 4.183 12.613 331 HG23 THR 37 2HG2 THR 37 -2.545 5.510 13.725 332 H ARG 38 H ARG 38 0.256 8.553 11.609 333 HA ARG 38 HA ARG 38 -0.107 10.040 13.972 334 HB2 ARG 38 2HB ARG 38 2.011 9.643 12.463 335 HB3 ARG 38 1HB ARG 38 1.483 11.118 11.674 336 HG2 ARG 38 2HG ARG 38 2.986 11.888 13.250 337 HG3 ARG 38 1HG ARG 38 1.434 12.114 14.056 338 HD2 ARG 38 2HD ARG 38 2.983 11.174 15.622 339 HD3 ARG 38 1HD ARG 38 1.787 9.948 15.224 340 HE ARG 38 HE ARG 38 4.607 9.976 14.441 341 HH11 ARG 38 1HH1 ARG 38 1.514 8.330 14.320 342 HH12 ARG 38 2HH1 ARG 38 2.209 6.821 13.843 343 HH21 ARG 38 1HH2 ARG 38 5.497 7.990 13.807 344 HH22 ARG 38 2HH2 ARG 38 4.459 6.626 13.550 345 H LEU 39 H LEU 39 -1.190 10.569 10.682 346 HA LEU 39 HA LEU 39 -1.791 13.309 10.881 347 HB2 LEU 39 2HB LEU 39 -1.828 11.631 8.840 348 HB3 LEU 39 1HB LEU 39 -3.526 11.505 9.244 349 HG LEU 39 HG LEU 39 -2.132 14.115 8.653 350 HD11 LEU 39 1HD1 LEU 39 -2.074 12.696 6.680 351 HD12 LEU 39 2HD1 LEU 39 -3.230 14.011 6.466 352 HD13 LEU 39 3HD1 LEU 39 -3.802 12.384 6.836 353 HD21 LEU 39 3HD2 LEU 39 -4.084 14.472 9.968 354 HD22 LEU 39 1HD2 LEU 39 -5.021 13.338 8.996 355 HD23 LEU 39 2HD2 LEU 39 -4.497 14.871 8.302 356 H ARG 40 H ARG 40 -3.942 10.496 11.268 357 HA ARG 40 HA ARG 40 -6.261 11.804 11.978 358 HB2 ARG 40 2HB ARG 40 -5.452 9.177 11.818 359 HB3 ARG 40 1HB ARG 40 -5.810 9.358 13.528 360 HG2 ARG 40 2HG ARG 40 -8.046 10.222 12.923 361 HG3 ARG 40 1HG ARG 40 -7.676 9.901 11.228 362 HD2 ARG 40 2HD ARG 40 -8.938 8.061 12.104 363 HD3 ARG 40 1HD ARG 40 -7.277 7.528 11.828 364 HE ARG 40 HE ARG 40 -7.516 8.441 14.457 365 HH11 ARG 40 1HH1 ARG 40 -8.574 5.797 12.446 366 HH12 ARG 40 2HH1 ARG 40 -8.689 4.674 13.760 367 HH21 ARG 40 1HH2 ARG 40 -7.663 6.964 16.193 368 HH22 ARG 40 2HH2 ARG 40 -8.171 5.337 15.888 369 H GLU 41 H GLU 41 -3.382 11.367 13.858 370 HA GLU 41 HA GLU 41 -4.631 11.975 16.387 371 HB2 GLU 41 2HB GLU 41 -1.710 11.872 15.611 372 HB3 GLU 41 1HB GLU 41 -2.323 12.011 17.252 373 HG2 GLU 41 2HG GLU 41 -2.965 9.703 15.438 374 HG3 GLU 41 1HG GLU 41 -1.598 9.718 16.553 375 H ALA 42 H ALA 42 -3.052 13.725 13.825 376 HA ALA 42 HA ALA 42 -2.598 16.123 15.329 377 HB1 ALA 42 1HB ALA 42 -2.589 15.602 12.361 378 HB2 ALA 42 2HB ALA 42 -1.193 15.641 13.438 379 HB3 ALA 42 3HB ALA 42 -2.100 17.118 13.116 380 H ARG 43 H ARG 43 -5.214 14.834 13.416 381 HA ARG 43 HA ARG 43 -6.804 17.227 14.028 382 HB2 ARG 43 2HB ARG 43 -7.772 17.272 11.868 383 HB3 ARG 43 1HB ARG 43 -6.044 17.104 11.607 384 HG2 ARG 43 2HG ARG 43 -6.315 14.725 11.182 385 HG3 ARG 43 1HG ARG 43 -8.045 14.850 11.496 386 HD2 ARG 43 2HD ARG 43 -7.901 16.699 9.611 387 HD3 ARG 43 1HD ARG 43 -6.465 15.783 9.152 388 HE ARG 43 HE ARG 43 -8.692 14.067 9.551 389 HH11 ARG 43 1HH1 ARG 43 -7.332 16.341 7.277 390 HH12 ARG 43 2HH1 ARG 43 -8.089 15.610 5.902 391 HH21 ARG 43 1HH2 ARG 43 -9.689 13.107 7.744 392 HH22 ARG 43 2HH2 ARG 43 -9.429 13.776 6.167 393 H ALA 44 H ALA 44 -9.235 16.453 13.113 394 HA ALA 44 HA ALA 44 -11.095 15.331 13.790 395 HB1 ALA 44 1HB ALA 44 -11.110 12.998 13.400 396 HB2 ALA 44 2HB ALA 44 -9.377 12.862 13.701 397 HB3 ALA 44 3HB ALA 44 -9.959 13.681 12.251 398 H1 GLY -7 1HT GLY -7 23.001 6.451 -9.611 399 H2 GLY -7 2HT GLY -7 22.999 7.118 -11.165 400 H3 GLY -7 3HT GLY -7 22.376 8.003 -9.863 401 HA2 GLY -7 1HA GLY -7 25.210 7.263 -10.334 402 HA3 GLY -7 2HA GLY -7 24.521 8.878 -10.388 403 H ALA -6 H ALA -6 23.690 9.779 -8.383 404 HA ALA -6 HA ALA -6 24.162 8.559 -5.871 405 HB1 ALA -6 1HB ALA -6 26.211 10.588 -6.760 406 HB2 ALA -6 2HB ALA -6 26.497 8.883 -6.405 407 HB3 ALA -6 3HB ALA -6 26.028 9.986 -5.112 408 H MET -5 H MET -5 24.003 11.630 -7.629 409 HA MET -5 HA MET -5 21.703 12.492 -6.210 410 HB2 MET -5 2HB MET -5 23.514 12.868 -4.499 411 HB3 MET -5 1HB MET -5 24.224 14.041 -5.599 412 HG2 MET -5 2HG MET -5 22.299 15.447 -5.449 413 HG3 MET -5 1HG MET -5 21.421 14.227 -4.530 414 HE1 MET -5 3HE MET -5 21.582 16.329 -1.557 415 HE2 MET -5 1HE MET -5 20.701 15.846 -3.006 416 HE3 MET -5 2HE MET -5 21.676 17.315 -3.017 417 H GLY -4 H GLY -4 20.623 13.954 -7.414 418 HA2 GLY -4 2HA GLY -4 21.852 15.957 -8.995 419 HA3 GLY -4 1HA GLY -4 21.420 14.586 -10.006 420 H SER -3 H SER -3 20.060 16.828 -7.612 421 HA SER -3 HA SER -3 17.356 16.289 -8.247 422 HB2 SER -3 2HB SER -3 18.144 17.359 -6.125 423 HB3 SER -3 1HB SER -3 18.485 18.825 -7.045 424 HG SER -3 HG SER -3 16.014 17.643 -6.422 425 H MET -2 H MET -2 19.609 18.816 -9.298 426 HA MET -2 HA MET -2 19.538 20.323 -11.000 427 HB2 MET -2 2HB MET -2 17.902 18.095 -12.220 428 HB3 MET -2 1HB MET -2 18.453 19.503 -13.118 429 HG2 MET -2 2HG MET -2 20.291 17.599 -11.689 430 HG3 MET -2 1HG MET -2 19.858 17.466 -13.393 431 HE1 MET -2 3HE MET -2 23.166 18.645 -14.331 432 HE2 MET -2 1HE MET -2 22.137 17.274 -13.914 433 HE3 MET -2 2HE MET -2 23.243 17.944 -12.715 434 H SER -1 H SER -1 17.472 20.471 -8.916 435 HA SER -1 HA SER -1 15.602 21.660 -8.411 436 HB2 SER -1 2HB SER -1 16.034 23.021 -11.079 437 HB3 SER -1 1HB SER -1 15.181 23.667 -9.678 438 HG SER -1 HG SER -1 17.143 23.724 -8.567 439 H HIS 2 H HIS 2 14.736 19.349 -9.010 440 HA HIS 2 HA HIS 2 12.233 19.738 -10.233 441 HB2 HIS 2 2HB HIS 2 14.052 19.376 -12.176 442 HB3 HIS 2 1HB HIS 2 13.727 17.687 -11.799 443 HD1 HIS 2 1HD HIS 2 12.938 18.738 -14.533 444 HD2 HIS 2 2HD HIS 2 10.385 18.785 -11.251 445 HE1 HIS 2 1HE HIS 2 10.615 18.836 -15.490 446 HE2 HIS 2 2HE HIS 2 9.084 18.803 -13.488 447 H ILE 3 H ILE 3 11.781 16.978 -10.956 448 HA ILE 3 HA ILE 3 12.582 15.335 -8.780 449 HB ILE 3 HB ILE 3 10.855 16.992 -7.839 450 HG12 ILE 3 2HG1 ILE 3 10.375 14.037 -7.482 451 HG13 ILE 3 1HG1 ILE 3 11.695 14.941 -6.738 452 HG21 ILE 3 1HG2 ILE 3 8.873 15.076 -9.031 453 HG22 ILE 3 2HG2 ILE 3 9.290 16.607 -9.803 454 HG23 ILE 3 3HG2 ILE 3 8.572 16.599 -8.193 455 HD11 ILE 3 3HD1 ILE 3 10.147 16.272 -5.518 456 HD12 ILE 3 1HD1 ILE 3 9.795 14.571 -5.236 457 HD13 ILE 3 2HD1 ILE 3 8.778 15.516 -6.333 458 H GLN 4 H GLN 4 11.655 13.216 -8.808 459 HA GLN 4 HA GLN 4 10.058 12.474 -11.142 460 HB2 GLN 4 2HB GLN 4 11.637 10.505 -11.507 461 HB3 GLN 4 1HB GLN 4 12.224 12.078 -12.024 462 HG2 GLN 4 2HG GLN 4 12.916 10.905 -9.350 463 HG3 GLN 4 1HG GLN 4 13.859 10.581 -10.804 464 HE21 GLN 4 1HE2 GLN 4 13.511 12.591 -8.175 465 HE22 GLN 4 2HE2 GLN 4 14.478 13.915 -8.716 466 H ILE 5 H ILE 5 8.531 11.050 -10.600 467 HA ILE 5 HA ILE 5 8.262 10.201 -7.911 468 HB ILE 5 HB ILE 5 6.652 9.496 -10.366 469 HG12 ILE 5 2HG1 ILE 5 5.664 11.271 -8.175 470 HG13 ILE 5 1HG1 ILE 5 6.854 11.934 -9.286 471 HG21 ILE 5 1HG2 ILE 5 6.396 7.799 -8.575 472 HG22 ILE 5 2HG2 ILE 5 4.917 8.694 -8.899 473 HG23 ILE 5 3HG2 ILE 5 5.885 9.082 -7.481 474 HD11 ILE 5 3HD1 ILE 5 4.358 12.266 -9.769 475 HD12 ILE 5 1HD1 ILE 5 4.402 10.591 -10.319 476 HD13 ILE 5 2HD1 ILE 5 5.432 11.798 -11.090 477 HA PRO 6 HA PRO 6 10.272 6.251 -8.315 478 HB2 PRO 6 2HB PRO 6 9.027 5.244 -5.920 479 HB3 PRO 6 1HB PRO 6 10.648 5.913 -6.104 480 HG2 PRO 6 2HG PRO 6 8.627 7.115 -4.671 481 HG3 PRO 6 1HG PRO 6 10.013 7.975 -5.364 482 HD2 PRO 6 2HD PRO 6 7.222 7.713 -6.423 483 HD3 PRO 6 1HD PRO 6 8.290 9.131 -6.402 484 HA PRO 7 HA PRO 7 7.302 3.320 -9.829 485 HB2 PRO 7 2HB PRO 7 8.709 1.064 -9.894 486 HB3 PRO 7 1HB PRO 7 9.234 2.471 -10.831 487 HG2 PRO 7 2HG PRO 7 10.236 1.486 -8.183 488 HG3 PRO 7 1HG PRO 7 11.161 2.047 -9.589 489 HD2 PRO 7 2HD PRO 7 10.552 3.611 -7.389 490 HD3 PRO 7 1HD PRO 7 10.932 4.246 -9.003 491 H GLY 8 H GLY 8 5.758 1.813 -9.220 492 HA2 GLY 8 2HA GLY 8 4.805 0.127 -7.885 493 HA3 GLY 8 1HA GLY 8 6.064 0.382 -6.688 494 H LEU 9 H LEU 9 5.734 3.228 -6.505 495 HA LEU 9 HA LEU 9 3.913 3.439 -4.433 496 HB2 LEU 9 2HB LEU 9 5.805 5.028 -5.247 497 HB3 LEU 9 1HB LEU 9 4.545 5.783 -6.201 498 HG LEU 9 HG LEU 9 4.197 5.428 -3.237 499 HD11 LEU 9 1HD1 LEU 9 5.614 7.720 -4.591 500 HD12 LEU 9 2HD1 LEU 9 6.351 6.529 -3.521 501 HD13 LEU 9 3HD1 LEU 9 5.144 7.651 -2.893 502 HD21 LEU 9 3HD2 LEU 9 3.108 7.366 -5.276 503 HD22 LEU 9 1HD2 LEU 9 2.832 7.488 -3.539 504 HD23 LEU 9 2HD2 LEU 9 2.226 6.094 -4.430 505 H THR 10 H THR 10 3.447 4.256 -7.857 506 HA THR 10 HA THR 10 0.882 5.307 -7.685 507 HB THR 10 HB THR 10 2.024 3.618 -9.920 508 HG1 THR 10 1HG THR 10 2.824 5.481 -10.715 509 HG21 THR 10 3HG2 THR 10 -0.305 5.510 -9.859 510 HG22 THR 10 1HG2 THR 10 -0.276 3.821 -10.368 511 HG23 THR 10 2HG2 THR 10 0.526 5.050 -11.345 512 H GLU 11 H GLU 11 1.892 1.937 -8.083 513 HA GLU 11 HA GLU 11 -0.670 0.804 -8.283 514 HB2 GLU 11 2HB GLU 11 1.987 -0.318 -7.424 515 HB3 GLU 11 1HB GLU 11 0.537 -1.310 -7.498 516 HG2 GLU 11 2HG GLU 11 1.770 -1.618 -9.511 517 HG3 GLU 11 1HG GLU 11 0.308 -0.707 -9.890 518 H LEU 12 H LEU 12 1.260 1.692 -5.484 519 HA LEU 12 HA LEU 12 -0.253 0.242 -3.578 520 HB2 LEU 12 2HB LEU 12 1.918 2.189 -3.539 521 HB3 LEU 12 1HB LEU 12 0.802 2.431 -2.213 522 HG LEU 12 HG LEU 12 2.658 1.018 -1.538 523 HD11 LEU 12 1HD1 LEU 12 0.196 0.636 -0.786 524 HD12 LEU 12 2HD1 LEU 12 1.437 -0.539 -0.360 525 HD13 LEU 12 3HD1 LEU 12 0.341 -0.865 -1.701 526 HD21 LEU 12 3HD2 LEU 12 3.151 -1.081 -2.527 527 HD22 LEU 12 1HD2 LEU 12 3.057 0.089 -3.844 528 HD23 LEU 12 2HD2 LEU 12 1.714 -1.015 -3.547 529 H LEU 13 H LEU 13 -0.393 3.648 -4.610 530 HA LEU 13 HA LEU 13 -2.468 4.393 -2.863 531 HB2 LEU 13 2HB LEU 13 -1.722 5.563 -5.543 532 HB3 LEU 13 1HB LEU 13 -2.777 6.328 -4.370 533 HG LEU 13 HG LEU 13 0.073 5.622 -3.695 534 HD11 LEU 13 1HD1 LEU 13 0.220 7.029 -5.643 535 HD12 LEU 13 2HD1 LEU 13 0.639 7.980 -4.218 536 HD13 LEU 13 3HD1 LEU 13 -0.949 8.160 -4.963 537 HD21 LEU 13 3HD2 LEU 13 -0.179 7.257 -1.967 538 HD22 LEU 13 1HD2 LEU 13 -1.548 6.153 -1.874 539 HD23 LEU 13 2HD2 LEU 13 -1.752 7.750 -2.590 540 H GLN 14 H GLN 14 -2.635 3.549 -6.339 541 HA GLN 14 HA GLN 14 -5.407 3.765 -6.542 542 HB2 GLN 14 2HB GLN 14 -5.269 2.330 -8.534 543 HB3 GLN 14 1HB GLN 14 -4.062 3.604 -8.539 544 HG2 GLN 14 2HG GLN 14 -2.360 2.159 -8.541 545 HG3 GLN 14 1HG GLN 14 -3.124 1.088 -7.373 546 HE21 GLN 14 1HE2 GLN 14 -3.592 2.155 -10.720 547 HE22 GLN 14 2HE2 GLN 14 -3.930 0.585 -11.357 548 H GLY 15 H GLY 15 -3.443 1.151 -5.282 549 HA2 GLY 15 2HA GLY 15 -5.328 -0.920 -5.327 550 HA3 GLY 15 1HA GLY 15 -4.024 -0.766 -4.157 551 H TYR 16 H TYR 16 -4.889 1.752 -3.106 552 HA TYR 16 HA TYR 16 -6.865 0.804 -1.228 553 HB2 TYR 16 2HB TYR 16 -5.085 2.112 -0.323 554 HB3 TYR 16 1HB TYR 16 -5.317 3.383 -1.516 555 HD1 TYR 16 2HD TYR 16 -6.913 1.751 1.419 556 HD2 TYR 16 1HD TYR 16 -6.726 5.218 -1.043 557 HE1 TYR 16 2HE TYR 16 -8.350 2.954 3.015 558 HE2 TYR 16 1HE TYR 16 -8.160 6.430 0.550 559 HH TYR 16 HH TYR 16 -8.773 5.356 3.653 560 H THR 17 H THR 17 -6.643 3.256 -3.759 561 HA THR 17 HA THR 17 -9.098 4.499 -3.422 562 HB THR 17 HB THR 17 -7.989 4.025 -6.171 563 HG1 THR 17 1HG THR 17 -6.847 5.733 -4.218 564 HG21 THR 17 3HG2 THR 17 -8.589 6.264 -6.598 565 HG22 THR 17 1HG2 THR 17 -8.870 6.591 -4.888 566 HG23 THR 17 2HG2 THR 17 -9.963 5.527 -5.774 567 H VAL 18 H VAL 18 -8.337 1.610 -5.384 568 HA VAL 18 HA VAL 18 -10.825 1.291 -6.582 569 HB VAL 18 HB VAL 18 -10.322 -1.158 -6.693 570 HG11 VAL 18 1HG1 VAL 18 -9.562 0.384 -8.421 571 HG12 VAL 18 2HG1 VAL 18 -8.407 -0.927 -8.181 572 HG13 VAL 18 3HG1 VAL 18 -8.076 0.673 -7.517 573 HG21 VAL 18 3HG2 VAL 18 -9.024 -1.123 -4.485 574 HG22 VAL 18 1HG2 VAL 18 -7.671 -0.521 -5.443 575 HG23 VAL 18 2HG2 VAL 18 -8.376 -2.097 -5.804 576 H GLU 19 H GLU 19 -9.844 0.630 -3.317 577 HA GLU 19 HA GLU 19 -12.167 -0.955 -2.670 578 HB2 GLU 19 2HB GLU 19 -9.996 0.276 -0.974 579 HB3 GLU 19 1HB GLU 19 -11.348 -0.617 -0.292 580 HG2 GLU 19 2HG GLU 19 -10.615 -2.513 -1.870 581 HG3 GLU 19 1HG GLU 19 -9.103 -1.618 -2.000 582 H VAL 20 H VAL 20 -11.068 2.358 -1.978 583 HA VAL 20 HA VAL 20 -13.199 3.228 -0.434 584 HB VAL 20 HB VAL 20 -11.792 4.909 -2.521 585 HG11 VAL 20 1HG1 VAL 20 -12.399 6.795 -1.249 586 HG12 VAL 20 2HG1 VAL 20 -12.900 5.813 0.125 587 HG13 VAL 20 3HG1 VAL 20 -13.864 5.819 -1.350 588 HG21 VAL 20 3HG2 VAL 20 -10.350 5.540 -0.467 589 HG22 VAL 20 1HG2 VAL 20 -10.008 4.033 -1.311 590 HG23 VAL 20 2HG2 VAL 20 -10.911 4.010 0.203 591 H LEU 21 H LEU 21 -12.844 3.258 -3.956 592 HA LEU 21 HA LEU 21 -15.282 4.452 -4.600 593 HB2 LEU 21 2HB LEU 21 -13.602 2.450 -6.103 594 HB3 LEU 21 1HB LEU 21 -15.001 3.244 -6.803 595 HG LEU 21 HG LEU 21 -12.871 4.980 -5.641 596 HD11 LEU 21 1HD1 LEU 21 -11.693 4.918 -7.867 597 HD12 LEU 21 2HD1 LEU 21 -12.579 3.431 -8.201 598 HD13 LEU 21 3HD1 LEU 21 -11.465 3.505 -6.837 599 HD21 LEU 21 3HD2 LEU 21 -15.093 5.719 -6.712 600 HD22 LEU 21 1HD2 LEU 21 -14.320 5.316 -8.245 601 HD23 LEU 21 2HD2 LEU 21 -13.612 6.543 -7.198 602 H ARG 22 H ARG 22 -14.455 1.044 -4.118 603 HA ARG 22 HA ARG 22 -17.112 0.121 -4.729 604 HB2 ARG 22 2HB ARG 22 -14.709 -1.280 -3.568 605 HB3 ARG 22 1HB ARG 22 -16.220 -2.088 -3.961 606 HG2 ARG 22 2HG ARG 22 -15.958 -1.549 -6.288 607 HG3 ARG 22 1HG ARG 22 -14.514 -0.598 -5.936 608 HD2 ARG 22 2HD ARG 22 -14.771 -3.539 -5.326 609 HD3 ARG 22 1HD ARG 22 -14.083 -2.911 -6.821 610 HE ARG 22 HE ARG 22 -12.734 -1.687 -4.728 611 HH11 ARG 22 1HH1 ARG 22 -13.169 -4.906 -5.999 612 HH12 ARG 22 2HH1 ARG 22 -11.619 -5.462 -5.461 613 HH21 ARG 22 1HH2 ARG 22 -10.698 -2.418 -4.017 614 HH22 ARG 22 2HH2 ARG 22 -10.217 -4.052 -4.336 615 H GLN 23 H GLN 23 -15.501 1.127 -1.799 616 HA GLN 23 HA GLN 23 -17.645 -0.108 -0.191 617 HB2 GLN 23 2HB GLN 23 -15.227 -0.604 0.341 618 HB3 GLN 23 1HB GLN 23 -15.069 1.077 0.833 619 HG2 GLN 23 2HG GLN 23 -16.569 0.799 2.628 620 HG3 GLN 23 1HG GLN 23 -17.129 -0.758 2.019 621 HE21 GLN 23 1HE2 GLN 23 -15.193 -2.342 1.699 622 HE22 GLN 23 2HE2 GLN 23 -14.138 -2.472 3.061 623 H GLN 24 H GLN 24 -15.809 2.925 -0.451 624 HA GLN 24 HA GLN 24 -16.372 5.072 -0.004 625 HB2 GLN 24 2HB GLN 24 -19.260 4.191 0.022 626 HB3 GLN 24 1HB GLN 24 -18.631 5.797 -0.309 627 HG2 GLN 24 2HG GLN 24 -18.002 3.443 -2.060 628 HG3 GLN 24 1HG GLN 24 -19.441 4.434 -2.286 629 HE21 GLN 24 1HE2 GLN 24 -18.053 4.466 -4.402 630 HE22 GLN 24 2HE2 GLN 24 -17.049 5.862 -4.571 631 HA PRO 25 HA PRO 25 -17.008 3.967 4.445 632 HB2 PRO 25 2HB PRO 25 -14.636 4.766 5.400 633 HB3 PRO 25 1HB PRO 25 -14.817 3.219 4.564 634 HG2 PRO 25 2HG PRO 25 -13.780 5.826 3.513 635 HG3 PRO 25 1HG PRO 25 -13.134 4.193 3.279 636 HD2 PRO 25 2HD PRO 25 -14.706 5.495 1.444 637 HD3 PRO 25 1HD PRO 25 -14.600 3.729 1.572 638 HA PRO 26 HA PRO 26 -18.074 8.004 5.895 639 HB2 PRO 26 2HB PRO 26 -17.062 7.500 8.600 640 HB3 PRO 26 1HB PRO 26 -18.731 7.642 8.044 641 HG2 PRO 26 2HG PRO 26 -17.668 5.294 8.865 642 HG3 PRO 26 1HG PRO 26 -18.918 5.390 7.611 643 HD2 PRO 26 2HD PRO 26 -15.955 5.042 7.311 644 HD3 PRO 26 1HD PRO 26 -17.278 4.225 6.456 645 H ASP 27 H ASP 27 -14.844 6.900 6.814 646 HA ASP 27 HA ASP 27 -13.861 9.654 6.470 647 HB2 ASP 27 2HB ASP 27 -13.454 7.807 8.787 648 HB3 ASP 27 1HB ASP 27 -12.134 8.879 8.329 649 H LEU 28 H LEU 28 -12.048 9.864 5.328 650 HA LEU 28 HA LEU 28 -11.131 7.660 3.776 651 HB2 LEU 28 2HB LEU 28 -9.972 10.428 4.063 652 HB3 LEU 28 1HB LEU 28 -9.590 9.283 2.790 653 HG LEU 28 HG LEU 28 -12.368 10.376 3.227 654 HD11 LEU 28 1HD1 LEU 28 -11.846 11.843 1.263 655 HD12 LEU 28 2HD1 LEU 28 -10.148 11.422 1.485 656 HD13 LEU 28 3HD1 LEU 28 -11.017 12.277 2.757 657 HD21 LEU 28 3HD2 LEU 28 -12.398 8.358 1.967 658 HD22 LEU 28 1HD2 LEU 28 -11.029 8.876 0.984 659 HD23 LEU 28 2HD2 LEU 28 -12.588 9.684 0.820 660 H VAL 29 H VAL 29 -9.795 9.504 6.484 661 HA VAL 29 HA VAL 29 -7.249 8.258 6.453 662 HB VAL 29 HB VAL 29 -8.645 9.574 8.789 663 HG11 VAL 29 1HG1 VAL 29 -6.868 8.342 9.697 664 HG12 VAL 29 2HG1 VAL 29 -6.203 9.962 9.484 665 HG13 VAL 29 3HG1 VAL 29 -5.810 8.689 8.330 666 HG21 VAL 29 3HG2 VAL 29 -7.376 11.572 8.178 667 HG22 VAL 29 1HG2 VAL 29 -8.446 11.076 6.868 668 HG23 VAL 29 2HG2 VAL 29 -6.720 10.730 6.774 669 H GLU 30 H GLU 30 -10.046 7.764 8.631 670 HA GLU 30 HA GLU 30 -9.108 5.683 10.144 671 HB2 GLU 30 2HB GLU 30 -11.866 6.272 9.105 672 HB3 GLU 30 1HB GLU 30 -11.569 4.873 10.122 673 HG2 GLU 30 2HG GLU 30 -12.282 6.505 11.607 674 HG3 GLU 30 1HG GLU 30 -10.529 6.517 11.778 675 H PHE 31 H PHE 31 -10.733 5.424 6.992 676 HA PHE 31 HA PHE 31 -10.495 2.600 6.828 677 HB2 PHE 31 2HB PHE 31 -12.148 3.974 5.565 678 HB3 PHE 31 1HB PHE 31 -10.827 4.563 4.560 679 HD1 PHE 31 1HD PHE 31 -12.146 1.298 5.792 680 HD2 PHE 31 2HD PHE 31 -10.565 3.526 2.529 681 HE1 PHE 31 1HE PHE 31 -12.415 -0.664 4.333 682 HE2 PHE 31 2HE PHE 31 -10.834 1.566 1.059 683 HZ PHE 31 HZ PHE 31 -11.760 -0.531 1.965 684 H ALA 32 H ALA 32 -8.327 5.205 6.084 685 HA ALA 32 HA ALA 32 -6.632 3.675 4.340 686 HB1 ALA 32 1HB ALA 32 -5.088 5.600 4.551 687 HB2 ALA 32 2HB ALA 32 -6.206 6.318 5.713 688 HB3 ALA 32 3HB ALA 32 -6.721 6.046 4.045 689 H VAL 33 H VAL 33 -6.428 4.739 7.716 690 HA VAL 33 HA VAL 33 -3.890 3.715 8.275 691 HB VAL 33 HB VAL 33 -5.558 3.262 10.595 692 HG11 VAL 33 1HG1 VAL 33 -3.160 3.781 10.591 693 HG12 VAL 33 2HG1 VAL 33 -4.086 4.894 11.599 694 HG13 VAL 33 3HG1 VAL 33 -3.520 5.407 10.008 695 HG21 VAL 33 3HG2 VAL 33 -5.893 5.975 9.320 696 HG22 VAL 33 1HG2 VAL 33 -6.358 5.544 10.964 697 HG23 VAL 33 2HG2 VAL 33 -7.164 4.780 9.600 698 H GLU 34 H GLU 34 -7.023 2.140 8.945 699 HA GLU 34 HA GLU 34 -6.077 -0.332 9.724 700 HB2 GLU 34 2HB GLU 34 -8.584 0.308 8.165 701 HB3 GLU 34 1HB GLU 34 -8.270 -1.226 8.964 702 HG2 GLU 34 2HG GLU 34 -8.119 -0.019 11.120 703 HG3 GLU 34 1HG GLU 34 -8.568 1.465 10.280 704 H TYR 35 H TYR 35 -6.490 0.932 6.468 705 HA TYR 35 HA TYR 35 -6.107 -1.533 5.116 706 HB2 TYR 35 2HB TYR 35 -7.175 0.383 4.034 707 HB3 TYR 35 1HB TYR 35 -5.678 1.301 4.150 708 HD1 TYR 35 1HD TYR 35 -3.633 0.401 2.890 709 HD2 TYR 35 2HD TYR 35 -7.596 -0.961 2.153 710 HE1 TYR 35 1HE TYR 35 -2.926 -0.447 0.694 711 HE2 TYR 35 2HE TYR 35 -6.900 -1.811 -0.051 712 HH TYR 35 HH TYR 35 -3.933 -1.000 -1.480 713 H PHE 36 H PHE 36 -3.857 1.200 5.691 714 HA PHE 36 HA PHE 36 -1.634 -0.257 4.616 715 HB2 PHE 36 2HB PHE 36 -1.921 2.388 6.024 716 HB3 PHE 36 1HB PHE 36 -0.337 1.726 5.640 717 HD1 PHE 36 1HD PHE 36 0.232 1.243 3.245 718 HD2 PHE 36 2HD PHE 36 -3.202 3.488 4.377 719 HE1 PHE 36 1HE PHE 36 0.089 2.168 0.970 720 HE2 PHE 36 2HE PHE 36 -3.351 4.415 2.104 721 HZ PHE 36 HZ PHE 36 -1.704 3.755 0.397 722 H THR 37 H THR 37 -2.649 0.672 7.897 723 HA THR 37 HA THR 37 -0.435 -0.385 9.244 724 HB THR 37 HB THR 37 -3.130 -0.464 10.546 725 HG1 THR 37 1HG THR 37 -3.390 1.650 10.472 726 HG21 THR 37 3HG2 THR 37 -0.555 -0.531 11.537 727 HG22 THR 37 1HG2 THR 37 -2.016 -0.170 12.453 728 HG23 THR 37 2HG2 THR 37 -1.052 1.144 11.782 729 H ARG 38 H ARG 38 -3.226 -1.947 7.889 730 HA ARG 38 HA ARG 38 -2.923 -4.406 9.361 731 HB2 ARG 38 2HB ARG 38 -5.106 -3.853 8.499 732 HB3 ARG 38 1HB ARG 38 -4.485 -3.747 6.857 733 HG2 ARG 38 2HG ARG 38 -4.067 -6.339 8.212 734 HG3 ARG 38 1HG ARG 38 -5.745 -5.912 7.883 735 HD2 ARG 38 2HD ARG 38 -5.091 -5.491 5.507 736 HD3 ARG 38 1HD ARG 38 -3.493 -6.129 5.889 737 HE ARG 38 HE ARG 38 -5.302 -8.049 6.698 738 HH11 ARG 38 1HH1 ARG 38 -4.418 -6.486 3.706 739 HH12 ARG 38 2HH1 ARG 38 -4.848 -7.845 2.724 740 HH21 ARG 38 1HH2 ARG 38 -5.868 -9.838 5.407 741 HH22 ARG 38 2HH2 ARG 38 -5.671 -9.748 3.689 742 H LEU 39 H LEU 39 -1.859 -3.126 6.280 743 HA LEU 39 HA LEU 39 -0.802 -5.565 5.257 744 HB2 LEU 39 2HB LEU 39 -0.268 -2.674 4.589 745 HB3 LEU 39 1HB LEU 39 0.509 -3.997 3.740 746 HG LEU 39 HG LEU 39 -2.487 -3.678 3.881 747 HD11 LEU 39 1HD1 LEU 39 -2.296 -2.808 1.558 748 HD12 LEU 39 2HD1 LEU 39 -0.552 -2.680 1.797 749 HD13 LEU 39 3HD1 LEU 39 -1.651 -1.719 2.785 750 HD21 LEU 39 3HD2 LEU 39 -0.621 -5.398 2.265 751 HD22 LEU 39 1HD2 LEU 39 -2.296 -5.111 1.791 752 HD23 LEU 39 2HD2 LEU 39 -1.937 -5.902 3.324 753 H ARG 40 H ARG 40 0.661 -2.771 6.876 754 HA ARG 40 HA ARG 40 3.305 -3.672 6.908 755 HB2 ARG 40 2HB ARG 40 2.455 -1.366 7.463 756 HB3 ARG 40 1HB ARG 40 1.997 -1.992 9.041 757 HG2 ARG 40 2HG ARG 40 4.123 -0.861 9.164 758 HG3 ARG 40 1HG ARG 40 4.328 -2.584 9.476 759 HD2 ARG 40 2HD ARG 40 5.037 -2.876 7.115 760 HD3 ARG 40 1HD ARG 40 4.932 -1.133 6.902 761 HE ARG 40 HE ARG 40 6.544 -1.603 9.082 762 HH11 ARG 40 1HH1 ARG 40 6.591 -2.280 5.667 763 HH12 ARG 40 2HH1 ARG 40 8.318 -2.243 5.552 764 HH21 ARG 40 1HH2 ARG 40 8.823 -1.553 8.941 765 HH22 ARG 40 2HH2 ARG 40 9.586 -1.832 7.411 766 H GLU 41 H GLU 41 0.638 -4.289 9.133 767 HA GLU 41 HA GLU 41 2.300 -5.747 10.985 768 HB2 GLU 41 2HB GLU 41 -0.675 -5.299 10.788 769 HB3 GLU 41 1HB GLU 41 0.043 -6.333 12.017 770 HG2 GLU 41 2HG GLU 41 1.387 -4.405 12.789 771 HG3 GLU 41 1HG GLU 41 0.535 -3.391 11.626 772 H ALA 42 H ALA 42 0.393 -6.474 8.189 773 HA ALA 42 HA ALA 42 0.254 -9.316 8.765 774 HB1 ALA 42 1HB ALA 42 -0.907 -9.458 6.598 775 HB2 ALA 42 2HB ALA 42 -0.625 -7.734 6.356 776 HB3 ALA 42 3HB ALA 42 -1.642 -8.283 7.688 777 H ARG 43 H ARG 43 2.239 -7.135 6.886 778 HA ARG 43 HA ARG 43 3.359 -9.129 5.183 779 HB2 ARG 43 2HB ARG 43 4.805 -7.456 4.383 780 HB3 ARG 43 1HB ARG 43 3.323 -6.610 4.793 781 HG2 ARG 43 2HG ARG 43 4.946 -5.204 5.637 782 HG3 ARG 43 1HG ARG 43 4.479 -6.140 7.053 783 HD2 ARG 43 2HD ARG 43 6.602 -7.513 5.701 784 HD3 ARG 43 1HD ARG 43 7.066 -5.831 5.934 785 HE ARG 43 HE ARG 43 6.830 -7.841 7.944 786 HH11 ARG 43 1HH1 ARG 43 6.512 -4.411 7.372 787 HH12 ARG 43 2HH1 ARG 43 6.823 -3.984 9.020 788 HH21 ARG 43 1HH2 ARG 43 7.236 -7.277 10.109 789 HH22 ARG 43 2HH2 ARG 43 7.234 -5.608 10.573 790 H ALA 44 H ALA 44 5.374 -10.129 5.273 791 HA ALA 44 HA ALA 44 7.309 -9.796 7.257 792 HB1 ALA 44 1HB ALA 44 6.826 -11.980 8.522 793 HB2 ALA 44 2HB ALA 44 5.180 -11.807 7.910 794 HB3 ALA 44 3HB ALA 44 5.876 -10.555 8.938 795 H1 ALA 578 1HT ALA 578 2.411 -9.130 -8.186 796 H2 ALA 578 2HT ALA 578 3.737 -8.673 -7.196 797 H3 ALA 578 3HT ALA 578 3.722 -8.256 -8.860 798 HA ALA 578 HA ALA 578 3.176 -6.332 -7.793 799 HB1 ALA 578 2HB ALA 578 0.606 -7.695 -8.589 800 HB2 ALA 578 3HB ALA 578 1.706 -6.829 -9.661 801 HB3 ALA 578 1HB ALA 578 0.830 -5.955 -8.405 802 H MET 579 H MET 579 0.917 -8.819 -6.601 803 HA MET 579 HA MET 579 1.215 -7.762 -3.888 804 HB2 MET 579 2HB MET 579 -1.372 -7.937 -5.418 805 HB3 MET 579 1HB MET 579 -1.350 -8.008 -3.661 806 HG2 MET 579 2HG MET 579 -0.067 -5.759 -5.174 807 HG3 MET 579 1HG MET 579 -1.777 -5.750 -4.754 808 HE1 MET 579 3HE MET 579 1.273 -4.273 -4.011 809 HE2 MET 579 1HE MET 579 1.955 -5.658 -3.157 810 HE3 MET 579 2HE MET 579 1.521 -4.200 -2.266 811 H ALA 580 H ALA 580 -0.252 -10.242 -5.963 812 HA ALA 580 HA ALA 580 -0.458 -12.493 -5.731 813 HB1 ALA 580 1HB ALA 580 1.206 -13.692 -4.582 814 HB2 ALA 580 2HB ALA 580 1.498 -12.371 -3.451 815 HB3 ALA 580 3HB ALA 580 1.998 -12.217 -5.134 816 H ASP 581 H ASP 581 -2.635 -12.090 -5.003 817 HA ASP 581 HA ASP 581 -3.142 -12.165 -2.137 818 HB2 ASP 581 2HB ASP 581 -4.464 -10.717 -3.724 819 HB3 ASP 581 1HB ASP 581 -5.157 -12.192 -4.391 820 H ILE 582 H ILE 582 -4.774 -13.719 -1.292 821 HA ILE 582 HA ILE 582 -3.959 -16.376 -1.789 822 HB ILE 582 HB ILE 582 -6.476 -15.520 -0.358 823 HG12 ILE 582 2HG1 ILE 582 -4.496 -16.104 1.547 824 HG13 ILE 582 1HG1 ILE 582 -3.672 -15.116 0.350 825 HG21 ILE 582 1HG2 ILE 582 -6.486 -17.857 -0.781 826 HG22 ILE 582 2HG2 ILE 582 -6.052 -17.639 0.913 827 HG23 ILE 582 3HG2 ILE 582 -4.805 -18.021 -0.275 828 HD11 ILE 582 3HD1 ILE 582 -5.966 -14.421 2.123 829 HD12 ILE 582 1HD1 ILE 582 -5.708 -13.539 0.618 830 HD13 ILE 582 2HD1 ILE 582 -4.450 -13.561 1.854 831 H GLY 583 H GLY 583 -6.440 -14.395 -3.175 832 HA2 GLY 583 2HA GLY 583 -7.176 -16.596 -4.957 833 HA3 GLY 583 1HA GLY 583 -8.466 -15.845 -4.029 834 H SER 584 H SER 584 -9.205 -15.512 -6.326 835 HA SER 584 HA SER 584 -7.942 -13.198 -7.621 836 HB2 SER 584 2HB SER 584 -8.468 -15.260 -8.961 837 HB3 SER 584 1HB SER 584 -10.179 -14.938 -8.681 838 HG SER 584 HG SER 584 -9.552 -14.043 -10.646 839 H ALA 585 H ALA 585 -11.251 -14.327 -6.896 840 HA ALA 585 HA ALA 585 -13.148 -13.216 -6.320 841 HB1 ALA 585 1HB ALA 585 -11.344 -11.009 -5.344 842 HB2 ALA 585 2HB ALA 585 -11.661 -12.488 -4.439 843 HB3 ALA 585 3HB ALA 585 -12.982 -11.382 -4.809 844 H SER 586 H SER 586 -14.032 -12.836 -8.314 845 HA SER 586 HA SER 586 -14.831 -11.641 -10.073 846 HB2 SER 586 2HB SER 586 -13.794 -9.146 -8.728 847 HB3 SER 586 1HB SER 586 -15.183 -9.312 -9.803 848 HG SER 586 HG SER 586 -14.912 -10.124 -7.117 849 H GLY 587 H GLY 587 -14.047 -9.637 -11.612 850 HA2 GLY 587 2HA GLY 587 -11.521 -10.593 -12.680 851 HA3 GLY 587 1HA GLY 587 -12.610 -9.441 -13.438 852 H TYR 588 H TYR 588 -10.926 -9.452 -10.313 853 HA TYR 588 HA TYR 588 -9.674 -7.848 -9.270 854 HB2 TYR 588 2HB TYR 588 -8.265 -8.603 -11.398 855 HB3 TYR 588 1HB TYR 588 -8.571 -6.951 -11.915 856 HD1 TYR 588 2HD TYR 588 -7.609 -8.626 -8.704 857 HD2 TYR 588 1HD TYR 588 -6.783 -5.532 -11.510 858 HE1 TYR 588 2HE TYR 588 -5.726 -7.877 -7.317 859 HE2 TYR 588 1HE TYR 588 -4.894 -4.779 -10.128 860 HH TYR 588 HH TYR 588 -4.102 -4.903 -7.867 861 H VAL 589 H VAL 589 -11.643 -6.738 -8.816 862 HA VAL 589 HA VAL 589 -13.000 -4.947 -8.677 863 HB VAL 589 HB VAL 589 -12.052 -2.881 -8.660 864 HG11 VAL 589 1HG1 VAL 589 -9.812 -3.008 -7.966 865 HG12 VAL 589 2HG1 VAL 589 -9.492 -4.415 -8.986 866 HG13 VAL 589 3HG1 VAL 589 -10.532 -4.570 -7.570 867 HG21 VAL 589 3HG2 VAL 589 -10.470 -1.966 -10.253 868 HG22 VAL 589 1HG2 VAL 589 -11.873 -2.606 -11.099 869 HG23 VAL 589 2HG2 VAL 589 -10.365 -3.514 -11.079 870 HA PRO 590 HA PRO 590 -15.166 -5.222 -12.553 871 HB2 PRO 590 2HB PRO 590 -17.227 -3.494 -12.033 872 HB3 PRO 590 1HB PRO 590 -17.148 -5.149 -11.421 873 HG2 PRO 590 2HG PRO 590 -16.483 -2.589 -10.044 874 HG3 PRO 590 1HG PRO 590 -17.321 -4.015 -9.412 875 HD2 PRO 590 2HD PRO 590 -14.714 -3.491 -8.883 876 HD3 PRO 590 1HD PRO 590 -15.353 -5.142 -8.995 877 H GLU 591 H GLU 591 -13.927 -4.365 -14.086 878 HA GLU 591 HA GLU 591 -12.653 -2.658 -15.129 879 HB2 GLU 591 2HB GLU 591 -15.535 -2.614 -15.992 880 HB3 GLU 591 1HB GLU 591 -14.264 -1.781 -16.878 881 HG2 GLU 591 2HG GLU 591 -13.081 -3.976 -17.069 882 HG3 GLU 591 1HG GLU 591 -14.518 -4.735 -16.384 883 H GLU 592 H GLU 592 -15.761 -0.951 -14.717 884 HA GLU 592 HA GLU 592 -14.855 1.595 -14.857 885 HB2 GLU 592 2HB GLU 592 -17.085 0.519 -13.137 886 HB3 GLU 592 1HB GLU 592 -16.838 2.228 -13.472 887 HG2 GLU 592 2HG GLU 592 -17.027 1.665 -15.914 888 HG3 GLU 592 1HG GLU 592 -17.539 0.052 -15.422 889 H ILE 593 H ILE 593 -14.544 -0.515 -12.085 890 HA ILE 593 HA ILE 593 -13.898 1.573 -10.234 891 HB ILE 593 HB ILE 593 -13.566 -1.418 -10.095 892 HG12 ILE 593 2HG1 ILE 593 -15.858 -0.452 -9.955 893 HG13 ILE 593 1HG1 ILE 593 -15.375 -1.318 -8.503 894 HG21 ILE 593 1HG2 ILE 593 -13.063 -1.029 -7.655 895 HG22 ILE 593 2HG2 ILE 593 -12.780 0.662 -8.064 896 HG23 ILE 593 3HG2 ILE 593 -11.772 -0.600 -8.773 897 HD11 ILE 593 3HD1 ILE 593 -16.407 0.563 -7.663 898 HD12 ILE 593 1HD1 ILE 593 -15.753 1.612 -8.917 899 HD13 ILE 593 2HD1 ILE 593 -14.708 1.027 -7.626 900 H TRP 594 H TRP 594 -12.078 -0.338 -12.523 901 HA TRP 594 HA TRP 594 -9.535 0.293 -11.326 902 HB2 TRP 594 2HB TRP 594 -9.898 -1.806 -12.632 903 HB3 TRP 594 1HB TRP 594 -10.059 -0.821 -14.085 904 HD1 TRP 594 HD TRP 594 -7.860 0.067 -15.202 905 HE1 TRP 594 1HE TRP 594 -5.354 -0.295 -14.735 906 HE3 TRP 594 3HE TRP 594 -8.206 -2.222 -10.645 907 HZ2 TRP 594 2HZ TRP 594 -3.741 -1.415 -12.700 908 HZ3 TRP 594 3HZ TRP 594 -6.138 -2.904 -9.505 909 HH2 TRP 594 HH TRP 594 -3.951 -2.512 -10.515 910 H LYS 595 H LYS 595 -11.321 1.316 -14.213 911 HA LYS 595 HA LYS 595 -9.417 3.098 -15.211 912 HB2 LYS 595 2HB LYS 595 -12.410 2.940 -15.403 913 HB3 LYS 595 1HB LYS 595 -11.566 4.326 -16.080 914 HG2 LYS 595 2HG LYS 595 -10.443 3.024 -17.662 915 HG3 LYS 595 1HG LYS 595 -10.785 1.522 -16.804 916 HD2 LYS 595 2HD LYS 595 -13.064 3.166 -17.837 917 HD3 LYS 595 1HD LYS 595 -12.137 2.176 -18.966 918 HE2 LYS 595 2HE LYS 595 -12.735 0.184 -17.892 919 HE3 LYS 595 1HE LYS 595 -13.243 1.018 -16.425 920 HZ1 LYS 595 3HZ LYS 595 -15.093 1.978 -17.707 921 HZ2 LYS 595 1HZ LYS 595 -15.159 0.288 -17.642 922 HZ3 LYS 595 2HZ LYS 595 -14.630 1.061 -19.051 923 H LYS 596 H LYS 596 -12.035 3.594 -12.829 924 HA LYS 596 HA LYS 596 -11.547 6.337 -12.465 925 HB2 LYS 596 2HB LYS 596 -13.200 4.260 -11.221 926 HB3 LYS 596 1HB LYS 596 -12.648 5.464 -10.071 927 HG2 LYS 596 2HG LYS 596 -14.790 6.113 -10.913 928 HG3 LYS 596 1HG LYS 596 -13.573 7.231 -11.529 929 HD2 LYS 596 2HD LYS 596 -13.536 5.669 -13.602 930 HD3 LYS 596 1HD LYS 596 -15.084 5.090 -12.984 931 HE2 LYS 596 2HE LYS 596 -15.887 7.442 -12.961 932 HE3 LYS 596 1HE LYS 596 -14.372 7.926 -13.722 933 HZ1 LYS 596 3HZ LYS 596 -16.682 6.604 -14.871 934 HZ2 LYS 596 1HZ LYS 596 -15.188 5.980 -15.365 935 HZ3 LYS 596 2HZ LYS 596 -15.540 7.618 -15.600 936 H ALA 597 H ALA 597 -10.634 3.594 -10.287 937 HA ALA 597 HA ALA 597 -9.225 4.986 -8.417 938 HB1 ALA 597 1HB ALA 597 -8.766 2.245 -9.549 939 HB2 ALA 597 2HB ALA 597 -9.579 2.695 -8.049 940 HB3 ALA 597 3HB ALA 597 -7.830 2.878 -8.193 941 H GLU 598 H GLU 598 -8.130 3.966 -11.604 942 HA GLU 598 HA GLU 598 -5.400 4.647 -11.248 943 HB2 GLU 598 2HB GLU 598 -7.138 3.935 -13.565 944 HB3 GLU 598 1HB GLU 598 -5.605 4.720 -13.916 945 HG2 GLU 598 2HG GLU 598 -5.740 2.311 -12.137 946 HG3 GLU 598 1HG GLU 598 -5.705 2.155 -13.893 947 H GLU 599 H GLU 599 -8.174 6.441 -12.540 948 HA GLU 599 HA GLU 599 -6.732 8.660 -13.505 949 HB2 GLU 599 2HB GLU 599 -9.570 8.294 -12.573 950 HB3 GLU 599 1HB GLU 599 -8.980 9.875 -13.068 951 HG2 GLU 599 2HG GLU 599 -8.399 8.964 -15.264 952 HG3 GLU 599 1HG GLU 599 -9.020 7.390 -14.766 953 H ALA 600 H ALA 600 -8.184 8.005 -10.321 954 HA ALA 600 HA ALA 600 -7.741 10.451 -9.115 955 HB1 ALA 600 1HB ALA 600 -7.996 9.363 -7.046 956 HB2 ALA 600 2HB ALA 600 -7.379 7.838 -7.683 957 HB3 ALA 600 3HB ALA 600 -8.960 8.432 -8.193 958 H VAL 601 H VAL 601 -5.545 7.636 -9.015 959 HA VAL 601 HA VAL 601 -3.494 8.965 -7.628 960 HB VAL 601 HB VAL 601 -3.135 6.616 -9.491 961 HG11 VAL 601 1HG1 VAL 601 -1.330 6.063 -7.823 962 HG12 VAL 601 2HG1 VAL 601 -1.555 7.683 -7.162 963 HG13 VAL 601 3HG1 VAL 601 -1.024 7.477 -8.831 964 HG21 VAL 601 3HG2 VAL 601 -4.253 6.806 -6.720 965 HG22 VAL 601 1HG2 VAL 601 -3.376 5.367 -7.228 966 HG23 VAL 601 2HG2 VAL 601 -4.824 5.863 -8.094 967 H ASN 602 H ASN 602 -4.060 8.592 -11.109 968 HA ASN 602 HA ASN 602 -1.574 9.613 -11.966 969 HB2 ASN 602 2HB ASN 602 -4.303 9.421 -13.213 970 HB3 ASN 602 1HB ASN 602 -3.046 10.349 -14.024 971 HD21 ASN 602 1HD2 ASN 602 -2.969 7.302 -12.204 972 HD22 ASN 602 2HD2 ASN 602 -2.274 6.365 -13.478 973 H GLU 603 H GLU 603 -4.595 11.099 -11.013 974 HA GLU 603 HA GLU 603 -3.838 13.770 -11.678 975 HB2 GLU 603 2HB GLU 603 -6.208 12.744 -11.281 976 HB3 GLU 603 1HB GLU 603 -5.895 13.106 -9.589 977 HG2 GLU 603 2HG GLU 603 -5.409 15.480 -10.346 978 HG3 GLU 603 1HG GLU 603 -6.106 15.016 -11.896 979 H VAL 604 H VAL 604 -4.040 12.011 -8.542 980 HA VAL 604 HA VAL 604 -3.074 14.092 -6.960 981 HB VAL 604 HB VAL 604 -2.929 12.615 -5.195 982 HG11 VAL 604 1HG1 VAL 604 -4.639 10.653 -6.480 983 HG12 VAL 604 2HG1 VAL 604 -5.114 12.308 -6.852 984 HG13 VAL 604 3HG1 VAL 604 -4.985 11.785 -5.184 985 HG21 VAL 604 3HG2 VAL 604 -1.226 11.141 -5.697 986 HG22 VAL 604 1HG2 VAL 604 -1.993 10.594 -7.182 987 HG23 VAL 604 2HG2 VAL 604 -2.625 10.071 -5.625 988 H LYS 605 H LYS 605 -1.419 11.842 -8.971 989 HA LYS 605 HA LYS 605 1.195 12.239 -7.849 990 HB2 LYS 605 2HB LYS 605 0.110 10.856 -10.273 991 HB3 LYS 605 1HB LYS 605 1.834 11.194 -10.193 992 HG2 LYS 605 2HG LYS 605 1.780 10.021 -7.923 993 HG3 LYS 605 1HG LYS 605 0.187 9.437 -8.402 994 HD2 LYS 605 2HD LYS 605 2.803 8.958 -9.828 995 HD3 LYS 605 1HD LYS 605 1.849 7.771 -8.942 996 HE2 LYS 605 2HE LYS 605 1.174 7.283 -11.070 997 HE3 LYS 605 1HE LYS 605 -0.020 8.515 -10.670 998 HZ1 LYS 605 3HZ LYS 605 2.514 9.330 -11.918 999 HZ2 LYS 605 1HZ LYS 605 0.988 10.053 -12.018 1000 HZ3 LYS 605 2HZ LYS 605 1.311 8.638 -12.884 1001 H ARG 606 H ARG 606 -0.423 13.364 -10.805 1002 HA ARG 606 HA ARG 606 1.720 14.945 -11.724 1003 HB2 ARG 606 2HB ARG 606 -0.328 14.216 -13.030 1004 HB3 ARG 606 1HB ARG 606 -1.204 15.506 -12.219 1005 HG2 ARG 606 2HG ARG 606 0.107 17.178 -13.247 1006 HG3 ARG 606 1HG ARG 606 1.297 16.003 -13.807 1007 HD2 ARG 606 2HD ARG 606 -0.375 15.018 -15.294 1008 HD3 ARG 606 1HD ARG 606 -1.571 16.182 -14.726 1009 HE ARG 606 HE ARG 606 0.558 17.666 -15.661 1010 HH11 ARG 606 1HH1 ARG 606 -1.687 15.336 -16.971 1011 HH12 ARG 606 2HH1 ARG 606 -1.640 16.002 -18.568 1012 HH21 ARG 606 1HH2 ARG 606 0.620 18.543 -17.764 1013 HH22 ARG 606 2HH2 ARG 606 -0.331 17.820 -19.018 1014 H GLN 607 H GLN 607 -0.759 15.487 -9.347 1015 HA GLN 607 HA GLN 607 -0.364 18.331 -9.201 1016 HB2 GLN 607 2HB GLN 607 -2.021 16.328 -7.738 1017 HB3 GLN 607 1HB GLN 607 -1.730 17.885 -6.973 1018 HG2 GLN 607 2HG GLN 607 -2.766 19.054 -8.754 1019 HG3 GLN 607 1HG GLN 607 -2.819 17.608 -9.759 1020 HE21 GLN 607 1HE2 GLN 607 -3.955 15.720 -8.491 1021 HE22 GLN 607 2HE2 GLN 607 -5.496 16.144 -7.838 1022 H ALA 608 H ALA 608 0.385 15.635 -6.918 1023 HA ALA 608 HA ALA 608 1.617 17.020 -4.924 1024 HB1 ALA 608 1HB ALA 608 2.741 14.436 -5.965 1025 HB2 ALA 608 2HB ALA 608 1.175 14.518 -5.159 1026 HB3 ALA 608 3HB ALA 608 2.636 15.001 -4.298 1027 H MET 609 H MET 609 2.869 16.244 -8.075 1028 HA MET 609 HA MET 609 5.576 16.948 -7.511 1029 HB2 MET 609 2HB MET 609 4.156 16.819 -10.176 1030 HB3 MET 609 1HB MET 609 5.890 17.014 -9.963 1031 HG2 MET 609 2HG MET 609 5.328 14.760 -8.476 1032 HG3 MET 609 1HG MET 609 4.252 14.608 -9.860 1033 HE1 MET 609 3HE MET 609 5.091 13.808 -12.270 1034 HE2 MET 609 1HE MET 609 6.613 14.455 -12.882 1035 HE3 MET 609 2HE MET 609 5.369 15.550 -12.277 1036 H THR 610 H THR 610 2.774 18.796 -8.619 1037 HA THR 610 HA THR 610 4.228 21.131 -9.347 1038 HB THR 610 HB THR 610 1.725 22.024 -8.458 1039 HG1 THR 610 1HG THR 610 0.971 19.973 -8.122 1040 HG21 THR 610 3HG2 THR 610 2.629 21.104 -11.165 1041 HG22 THR 610 1HG2 THR 610 2.508 22.751 -10.549 1042 HG23 THR 610 2HG2 THR 610 1.044 21.820 -10.871 1043 H GLU 611 H GLU 611 2.914 19.885 -6.351 1044 HA GLU 611 HA GLU 611 3.308 22.209 -4.779 1045 HB2 GLU 611 2HB GLU 611 3.134 19.278 -4.086 1046 HB3 GLU 611 1HB GLU 611 3.379 20.509 -2.855 1047 HG2 GLU 611 2HG GLU 611 1.056 20.485 -4.764 1048 HG3 GLU 611 1HG GLU 611 1.020 19.775 -3.150 1049 H LEU 612 H LEU 612 5.378 19.787 -6.008 1050 HA LEU 612 HA LEU 612 7.619 20.447 -4.267 1051 HB2 LEU 612 2HB LEU 612 6.873 18.216 -5.932 1052 HB3 LEU 612 1HB LEU 612 8.479 18.754 -6.378 1053 HG LEU 612 HG LEU 612 8.311 16.925 -4.628 1054 HD11 LEU 612 1HD1 LEU 612 10.272 17.620 -3.554 1055 HD12 LEU 612 2HD1 LEU 612 9.827 19.323 -3.651 1056 HD13 LEU 612 3HD1 LEU 612 10.303 18.451 -5.112 1057 HD21 LEU 612 3HD2 LEU 612 7.984 18.890 -2.476 1058 HD22 LEU 612 1HD2 LEU 612 7.401 17.231 -2.613 1059 HD23 LEU 612 2HD2 LEU 612 6.515 18.539 -3.388 1060 H GLN 613 H GLN 613 6.907 20.526 -7.746 1061 HA GLN 613 HA GLN 613 9.240 21.697 -8.625 1062 HB2 GLN 613 2HB GLN 613 6.461 21.522 -9.637 1063 HB3 GLN 613 1HB GLN 613 7.435 22.802 -10.341 1064 HG2 GLN 613 2HG GLN 613 8.453 19.989 -10.209 1065 HG3 GLN 613 1HG GLN 613 7.370 20.510 -11.499 1066 HE21 GLN 613 1HE2 GLN 613 10.516 20.883 -10.069 1067 HE22 GLN 613 2HE2 GLN 613 11.257 21.684 -11.410 1068 H LYS 614 H LYS 614 6.658 23.124 -6.817 1069 HA LYS 614 HA LYS 614 8.131 25.528 -6.394 1070 HB2 LYS 614 2HB LYS 614 6.355 27.046 -7.360 1071 HB3 LYS 614 1HB LYS 614 7.356 26.204 -8.537 1072 HG2 LYS 614 2HG LYS 614 5.634 24.705 -9.095 1073 HG3 LYS 614 1HG LYS 614 4.681 25.146 -7.679 1074 HD2 LYS 614 2HD LYS 614 3.668 26.170 -9.588 1075 HD3 LYS 614 1HD LYS 614 4.449 27.442 -8.648 1076 HE2 LYS 614 2HE LYS 614 5.843 26.104 -10.950 1077 HE3 LYS 614 1HE LYS 614 4.750 27.464 -11.197 1078 HZ1 LYS 614 3HZ LYS 614 6.471 28.771 -10.769 1079 HZ2 LYS 614 1HZ LYS 614 7.440 27.471 -10.287 1080 HZ3 LYS 614 2HZ LYS 614 6.435 28.238 -9.164 1081 H ALA 615 H ALA 615 7.582 24.276 -4.337 1082 HA ALA 615 HA ALA 615 5.007 24.155 -3.289 1083 HB1 ALA 615 1HB ALA 615 7.412 24.693 -1.571 1084 HB2 ALA 615 2HB ALA 615 7.178 23.141 -2.374 1085 HB3 ALA 615 3HB ALA 615 5.988 23.718 -1.208 Start of MODEL 5 1 H1 GLY -7 1HT GLY -7 -25.895 21.590 -12.645 2 H2 GLY -7 2HT GLY -7 -25.200 22.738 -13.674 3 H3 GLY -7 3HT GLY -7 -25.347 23.063 -12.020 4 HA2 GLY -7 1HA GLY -7 -23.095 22.515 -12.366 5 HA3 GLY -7 2HA GLY -7 -23.850 21.141 -11.573 6 H ALA -6 H ALA -6 -22.673 22.392 -14.638 7 HA ALA -6 HA ALA -6 -23.138 20.057 -16.165 8 HB1 ALA -6 1HB ALA -6 -21.013 22.141 -16.643 9 HB2 ALA -6 2HB ALA -6 -22.705 22.326 -17.102 10 HB3 ALA -6 3HB ALA -6 -21.729 21.049 -17.829 11 H MET -5 H MET -5 -22.414 18.413 -14.656 12 HA MET -5 HA MET -5 -19.805 17.477 -15.267 13 HB2 MET -5 2HB MET -5 -19.324 19.235 -13.520 14 HB3 MET -5 1HB MET -5 -20.222 18.247 -12.376 15 HG2 MET -5 2HG MET -5 -17.937 17.771 -12.045 16 HG3 MET -5 1HG MET -5 -18.627 16.382 -12.882 17 HE1 MET -5 3HE MET -5 -14.857 16.909 -13.945 18 HE2 MET -5 1HE MET -5 -15.810 16.737 -12.470 19 HE3 MET -5 2HE MET -5 -15.257 18.332 -12.982 20 H GLY -4 H GLY -4 -21.760 16.029 -15.863 21 HA2 GLY -4 2HA GLY -4 -21.604 13.667 -14.411 22 HA3 GLY -4 1HA GLY -4 -23.022 14.517 -13.817 23 H SER -3 H SER -3 -22.882 11.982 -15.227 24 HA SER -3 HA SER -3 -25.011 12.399 -17.061 25 HB2 SER -3 2HB SER -3 -22.272 11.799 -18.184 26 HB3 SER -3 1HB SER -3 -23.754 11.408 -19.057 27 HG SER -3 HG SER -3 -24.208 13.523 -19.267 28 H MET -2 H MET -2 -22.344 10.036 -16.974 29 HA MET -2 HA MET -2 -24.081 7.802 -17.082 30 HB2 MET -2 2HB MET -2 -22.095 6.462 -16.733 31 HB3 MET -2 1HB MET -2 -21.723 7.772 -17.846 32 HG2 MET -2 2HG MET -2 -20.850 9.022 -15.794 33 HG3 MET -2 1HG MET -2 -20.907 7.461 -14.978 34 HE1 MET -2 3HE MET -2 -19.722 8.873 -18.534 35 HE2 MET -2 1HE MET -2 -17.985 8.812 -18.233 36 HE3 MET -2 2HE MET -2 -19.020 9.827 -17.228 37 H SER -1 H SER -1 -23.579 5.988 -15.276 38 HA SER -1 HA SER -1 -23.593 7.064 -12.586 39 HB2 SER -1 2HB SER -1 -25.956 7.318 -13.347 40 HB3 SER -1 1HB SER -1 -26.024 5.574 -13.607 41 HG SER -1 HG SER -1 -25.786 5.246 -11.432 42 H HIS 2 H HIS 2 -22.375 5.728 -11.440 43 HA HIS 2 HA HIS 2 -22.801 3.018 -11.057 44 HB2 HIS 2 2HB HIS 2 -21.647 3.357 -13.563 45 HB3 HIS 2 1HB HIS 2 -20.262 3.017 -12.541 46 HD1 HIS 2 1HD HIS 2 -23.262 1.445 -14.048 47 HD2 HIS 2 2HD HIS 2 -20.238 0.428 -11.386 48 HE1 HIS 2 1HE HIS 2 -23.382 -1.056 -13.818 49 HE2 HIS 2 2HE HIS 2 -21.499 -1.656 -12.257 50 H ILE 3 H ILE 3 -20.054 5.219 -11.537 51 HA ILE 3 HA ILE 3 -19.333 4.907 -8.708 52 HB ILE 3 HB ILE 3 -17.474 4.512 -11.057 53 HG12 ILE 3 2HG1 ILE 3 -17.393 2.628 -8.785 54 HG13 ILE 3 1HG1 ILE 3 -18.919 2.638 -9.651 55 HG21 ILE 3 1HG2 ILE 3 -16.273 5.924 -9.569 56 HG22 ILE 3 2HG2 ILE 3 -15.667 4.289 -9.322 57 HG23 ILE 3 3HG2 ILE 3 -16.793 4.994 -8.164 58 HD11 ILE 3 3HD1 ILE 3 -16.194 2.058 -10.763 59 HD12 ILE 3 1HD1 ILE 3 -17.632 2.286 -11.757 60 HD13 ILE 3 2HD1 ILE 3 -17.563 0.956 -10.604 61 H GLN 4 H GLN 4 -18.055 6.681 -7.892 62 HA GLN 4 HA GLN 4 -17.702 8.980 -9.642 63 HB2 GLN 4 2HB GLN 4 -20.077 8.877 -8.471 64 HB3 GLN 4 1HB GLN 4 -19.182 9.502 -7.092 65 HG2 GLN 4 2HG GLN 4 -18.495 11.428 -8.343 66 HG3 GLN 4 1HG GLN 4 -19.203 10.772 -9.818 67 HE21 GLN 4 1HE2 GLN 4 -20.267 11.273 -6.464 68 HE22 GLN 4 2HE2 GLN 4 -21.754 12.052 -6.873 69 H ILE 5 H ILE 5 -15.586 9.330 -9.307 70 HA ILE 5 HA ILE 5 -13.954 8.704 -7.253 71 HB ILE 5 HB ILE 5 -13.866 11.316 -8.772 72 HG12 ILE 5 2HG1 ILE 5 -13.779 9.478 -10.319 73 HG13 ILE 5 1HG1 ILE 5 -12.142 10.094 -10.142 74 HG21 ILE 5 1HG2 ILE 5 -11.383 11.144 -8.241 75 HG22 ILE 5 2HG2 ILE 5 -11.839 9.962 -7.015 76 HG23 ILE 5 3HG2 ILE 5 -12.451 11.612 -6.919 77 HD11 ILE 5 3HD1 ILE 5 -11.792 7.838 -10.058 78 HD12 ILE 5 1HD1 ILE 5 -13.312 7.523 -9.218 79 HD13 ILE 5 2HD1 ILE 5 -11.943 8.214 -8.342 80 HA PRO 6 HA PRO 6 -16.212 10.809 -3.854 81 HB2 PRO 6 2HB PRO 6 -13.882 9.573 -2.440 82 HB3 PRO 6 1HB PRO 6 -15.589 9.603 -1.984 83 HG2 PRO 6 2HG PRO 6 -14.524 7.402 -3.005 84 HG3 PRO 6 1HG PRO 6 -16.154 7.917 -3.483 85 HD2 PRO 6 2HD PRO 6 -13.581 8.131 -4.988 86 HD3 PRO 6 1HD PRO 6 -15.211 7.787 -5.588 87 HA PRO 7 HA PRO 7 -13.529 14.475 -4.389 88 HB2 PRO 7 2HB PRO 7 -15.453 15.334 -2.251 89 HB3 PRO 7 1HB PRO 7 -14.872 16.226 -3.663 90 HG2 PRO 7 2HG PRO 7 -17.285 15.125 -3.683 91 HG3 PRO 7 1HG PRO 7 -16.258 15.067 -5.128 92 HD2 PRO 7 2HD PRO 7 -16.920 12.905 -3.185 93 HD3 PRO 7 1HD PRO 7 -16.603 12.800 -4.929 94 H GLY 8 H GLY 8 -12.019 15.584 -3.043 95 HA2 GLY 8 2HA GLY 8 -10.758 15.956 -1.117 96 HA3 GLY 8 1HA GLY 8 -11.745 14.781 -0.264 97 H LEU 9 H LEU 9 -11.207 12.885 -2.630 98 HA LEU 9 HA LEU 9 -9.149 11.413 -1.438 99 HB2 LEU 9 2HB LEU 9 -10.754 11.245 -3.885 100 HB3 LEU 9 1HB LEU 9 -9.150 10.569 -4.076 101 HG LEU 9 HG LEU 9 -10.920 9.749 -1.786 102 HD11 LEU 9 1HD1 LEU 9 -12.113 9.405 -3.937 103 HD12 LEU 9 2HD1 LEU 9 -11.747 7.910 -3.076 104 HD13 LEU 9 3HD1 LEU 9 -10.775 8.386 -4.468 105 HD21 LEU 9 3HD2 LEU 9 -8.673 8.328 -3.212 106 HD22 LEU 9 1HD2 LEU 9 -9.529 7.775 -1.771 107 HD23 LEU 9 2HD2 LEU 9 -8.509 9.211 -1.694 108 H THR 10 H THR 10 -9.096 13.886 -3.914 109 HA THR 10 HA THR 10 -6.462 13.417 -4.830 110 HB THR 10 HB THR 10 -6.860 16.093 -5.289 111 HG1 THR 10 1HG THR 10 -8.980 16.492 -5.502 112 HG21 THR 10 3HG2 THR 10 -7.859 13.736 -6.852 113 HG22 THR 10 1HG2 THR 10 -6.398 14.687 -7.113 114 HG23 THR 10 2HG2 THR 10 -7.981 15.397 -7.435 115 H GLU 11 H GLU 11 -7.767 15.778 -2.511 116 HA GLU 11 HA GLU 11 -5.269 16.880 -1.804 117 HB2 GLU 11 2HB GLU 11 -7.855 16.808 -0.242 118 HB3 GLU 11 1HB GLU 11 -6.474 17.829 0.134 119 HG2 GLU 11 2HG GLU 11 -6.734 19.038 -1.917 120 HG3 GLU 11 1HG GLU 11 -7.997 17.934 -2.457 121 H LEU 12 H LEU 12 -7.078 14.131 -0.539 122 HA LEU 12 HA LEU 12 -5.528 13.814 1.816 123 HB2 LEU 12 2HB LEU 12 -7.759 12.510 0.606 124 HB3 LEU 12 1HB LEU 12 -6.564 11.287 0.978 125 HG LEU 12 HG LEU 12 -8.138 11.490 2.796 126 HD11 LEU 12 1HD1 LEU 12 -5.621 11.143 3.188 127 HD12 LEU 12 2HD1 LEU 12 -6.640 11.546 4.568 128 HD13 LEU 12 3HD1 LEU 12 -5.639 12.789 3.820 129 HD21 LEU 12 3HD2 LEU 12 -7.245 14.328 3.222 130 HD22 LEU 12 1HD2 LEU 12 -8.581 13.469 3.987 131 HD23 LEU 12 2HD2 LEU 12 -8.681 13.914 2.285 132 H LEU 13 H LEU 13 -5.340 12.328 -1.396 133 HA LEU 13 HA LEU 13 -3.133 10.650 -0.709 134 HB2 LEU 13 2HB LEU 13 -4.663 11.305 -3.174 135 HB3 LEU 13 1HB LEU 13 -3.044 10.666 -3.392 136 HG LEU 13 HG LEU 13 -3.624 8.630 -2.262 137 HD11 LEU 13 1HD1 LEU 13 -5.974 8.265 -1.470 138 HD12 LEU 13 2HD1 LEU 13 -6.223 10.003 -1.629 139 HD13 LEU 13 3HD1 LEU 13 -5.022 9.385 -0.497 140 HD21 LEU 13 3HD2 LEU 13 -4.187 8.544 -4.550 141 HD22 LEU 13 1HD2 LEU 13 -5.634 9.527 -4.317 142 HD23 LEU 13 2HD2 LEU 13 -5.578 7.875 -3.699 143 H GLN 14 H GLN 14 -3.489 13.898 -1.908 144 HA GLN 14 HA GLN 14 -0.901 14.226 -2.988 145 HB2 GLN 14 2HB GLN 14 -3.154 15.805 -2.835 146 HB3 GLN 14 1HB GLN 14 -2.054 16.638 -1.754 147 HG2 GLN 14 2HG GLN 14 -0.437 16.892 -3.496 148 HG3 GLN 14 1HG GLN 14 -1.378 15.870 -4.582 149 HE21 GLN 14 1HE2 GLN 14 -1.047 19.001 -3.161 150 HE22 GLN 14 2HE2 GLN 14 -2.248 19.796 -4.114 151 H GLY 15 H GLY 15 -2.212 14.823 0.250 152 HA2 GLY 15 2HA GLY 15 0.043 15.979 1.417 153 HA3 GLY 15 1HA GLY 15 -1.156 15.024 2.279 154 H TYR 16 H TYR 16 -0.847 12.549 1.143 155 HA TYR 16 HA TYR 16 1.524 11.628 2.448 156 HB2 TYR 16 2HB TYR 16 -0.297 10.125 2.516 157 HB3 TYR 16 1HB TYR 16 -0.599 10.276 0.789 158 HD1 TYR 16 1HD TYR 16 2.021 9.074 3.174 159 HD2 TYR 16 2HD TYR 16 0.174 8.598 -0.630 160 HE1 TYR 16 1HE TYR 16 3.368 7.050 2.777 161 HE2 TYR 16 2HE TYR 16 1.512 6.577 -1.034 162 HH TYR 16 HH TYR 16 4.187 5.734 0.854 163 H THR 17 H THR 17 0.492 11.841 -0.944 164 HA THR 17 HA THR 17 2.747 10.719 -2.117 165 HB THR 17 HB THR 17 0.981 12.899 -3.243 166 HG1 THR 17 1HG THR 17 -0.433 11.346 -3.072 167 HG21 THR 17 3HG2 THR 17 2.847 10.960 -4.571 168 HG22 THR 17 1HG2 THR 17 2.823 12.720 -4.701 169 HG23 THR 17 2HG2 THR 17 1.527 11.765 -5.421 170 H VAL 18 H VAL 18 2.054 14.228 -1.852 171 HA VAL 18 HA VAL 18 4.448 15.183 -2.809 172 HB VAL 18 HB VAL 18 2.386 16.517 -2.149 173 HG11 VAL 18 1HG1 VAL 18 2.429 15.645 0.237 174 HG12 VAL 18 2HG1 VAL 18 2.159 17.374 0.032 175 HG13 VAL 18 3HG1 VAL 18 3.747 16.783 0.520 176 HG21 VAL 18 3HG2 VAL 18 4.452 17.532 -2.993 177 HG22 VAL 18 1HG2 VAL 18 5.080 17.611 -1.345 178 HG23 VAL 18 2HG2 VAL 18 3.662 18.559 -1.793 179 H GLU 19 H GLU 19 3.817 13.703 0.268 180 HA GLU 19 HA GLU 19 6.221 14.663 1.529 181 HB2 GLU 19 2HB GLU 19 4.074 12.707 2.272 182 HB3 GLU 19 1HB GLU 19 5.574 12.738 3.185 183 HG2 GLU 19 2HG GLU 19 3.758 15.099 2.770 184 HG3 GLU 19 1HG GLU 19 3.793 14.080 4.207 185 H VAL 20 H VAL 20 5.184 11.649 -0.027 186 HA VAL 20 HA VAL 20 7.413 10.092 0.582 187 HB VAL 20 HB VAL 20 5.123 9.598 -0.766 188 HG11 VAL 20 1HG1 VAL 20 7.201 9.492 -2.944 189 HG12 VAL 20 2HG1 VAL 20 5.953 10.730 -2.813 190 HG13 VAL 20 3HG1 VAL 20 5.500 9.049 -3.059 191 HG21 VAL 20 3HG2 VAL 20 6.568 7.952 0.349 192 HG22 VAL 20 1HG2 VAL 20 7.621 7.941 -1.066 193 HG23 VAL 20 2HG2 VAL 20 5.958 7.373 -1.200 194 H LEU 21 H LEU 21 6.918 12.432 -2.001 195 HA LEU 21 HA LEU 21 9.421 11.895 -3.293 196 HB2 LEU 21 2HB LEU 21 7.581 14.274 -3.532 197 HB3 LEU 21 1HB LEU 21 8.912 13.905 -4.608 198 HG LEU 21 HG LEU 21 7.161 11.623 -4.488 199 HD11 LEU 21 1HD1 LEU 21 5.738 14.092 -5.439 200 HD12 LEU 21 2HD1 LEU 21 5.503 13.420 -3.828 201 HD13 LEU 21 3HD1 LEU 21 5.098 12.460 -5.248 202 HD21 LEU 21 3HD2 LEU 21 8.780 12.465 -6.314 203 HD22 LEU 21 1HD2 LEU 21 7.418 13.458 -6.829 204 HD23 LEU 21 2HD2 LEU 21 7.269 11.712 -6.798 205 H ARG 22 H ARG 22 8.212 14.528 -1.222 206 HA ARG 22 HA ARG 22 10.583 16.010 -1.177 207 HB2 ARG 22 2HB ARG 22 8.234 16.714 -0.460 208 HB3 ARG 22 1HB ARG 22 8.579 15.926 1.071 209 HG2 ARG 22 2HG ARG 22 9.093 18.143 1.498 210 HG3 ARG 22 1HG ARG 22 10.668 17.438 1.137 211 HD2 ARG 22 2HD ARG 22 8.996 18.788 -0.968 212 HD3 ARG 22 1HD ARG 22 10.111 19.685 0.058 213 HE ARG 22 HE ARG 22 10.777 17.918 -2.118 214 HH11 ARG 22 1HH1 ARG 22 11.956 19.431 0.807 215 HH12 ARG 22 2HH1 ARG 22 13.616 19.336 0.330 216 HH21 ARG 22 1HH2 ARG 22 12.963 17.789 -2.733 217 HH22 ARG 22 2HH2 ARG 22 14.189 18.406 -1.675 218 H GLN 23 H GLN 23 9.712 13.127 0.534 219 HA GLN 23 HA GLN 23 12.017 13.466 2.344 220 HB2 GLN 23 2HB GLN 23 9.535 12.939 3.112 221 HB3 GLN 23 1HB GLN 23 10.004 11.289 2.733 222 HG2 GLN 23 2HG GLN 23 11.296 13.138 4.724 223 HG3 GLN 23 1HG GLN 23 10.358 11.684 5.062 224 HE21 GLN 23 1HE2 GLN 23 11.297 9.674 4.782 225 HE22 GLN 23 2HE2 GLN 23 12.996 9.463 4.558 226 H GLN 24 H GLN 24 10.538 11.259 0.016 227 HA GLN 24 HA GLN 24 11.360 9.462 -1.109 228 HB2 GLN 24 2HB GLN 24 14.135 10.401 -0.377 229 HB3 GLN 24 1HB GLN 24 13.635 9.499 -1.800 230 HG2 GLN 24 2HG GLN 24 12.717 12.307 -1.262 231 HG3 GLN 24 1HG GLN 24 14.205 11.940 -2.127 232 HE21 GLN 24 1HE2 GLN 24 12.943 13.267 -3.743 233 HE22 GLN 24 2HE2 GLN 24 11.934 12.397 -4.844 234 HA PRO 25 HA PRO 25 12.194 7.250 2.869 235 HB2 PRO 25 2HB PRO 25 9.919 5.872 3.083 236 HB3 PRO 25 1HB PRO 25 9.977 7.595 3.479 237 HG2 PRO 25 2HG PRO 25 9.029 6.269 0.962 238 HG3 PRO 25 1HG PRO 25 8.266 7.571 1.889 239 HD2 PRO 25 2HD PRO 25 9.802 7.986 -0.347 240 HD3 PRO 25 1HD PRO 25 9.587 9.189 0.939 241 HA PRO 26 HA PRO 26 13.433 3.412 1.018 242 HB2 PRO 26 2HB PRO 26 13.139 1.901 3.474 243 HB3 PRO 26 1HB PRO 26 14.614 2.527 2.738 244 HG2 PRO 26 2HG PRO 26 13.573 3.461 5.091 245 HG3 PRO 26 1HG PRO 26 14.591 4.428 4.009 246 HD2 PRO 26 2HD PRO 26 11.609 4.424 4.309 247 HD3 PRO 26 1HD PRO 26 12.723 5.790 4.101 248 H ASP 27 H ASP 27 10.492 3.283 2.985 249 HA ASP 27 HA ASP 27 9.442 1.213 1.180 250 HB2 ASP 27 2HB ASP 27 9.297 1.272 4.196 251 HB3 ASP 27 1HB ASP 27 8.201 0.304 3.214 252 H LEU 28 H LEU 28 7.310 1.344 0.691 253 HA LEU 28 HA LEU 28 6.093 3.947 1.058 254 HB2 LEU 28 2HB LEU 28 4.982 1.599 -0.468 255 HB3 LEU 28 1HB LEU 28 4.572 3.294 -0.658 256 HG LEU 28 HG LEU 28 7.290 2.144 -1.294 257 HD11 LEU 28 1HD1 LEU 28 6.407 1.263 -3.122 258 HD12 LEU 28 2HD1 LEU 28 6.051 2.898 -3.676 259 HD13 LEU 28 3HD1 LEU 28 4.831 1.981 -2.793 260 HD21 LEU 28 3HD2 LEU 28 6.240 4.842 -1.135 261 HD22 LEU 28 1HD2 LEU 28 6.859 4.484 -2.748 262 HD23 LEU 28 2HD2 LEU 28 7.898 4.285 -1.339 263 H VAL 29 H VAL 29 5.243 0.549 1.684 264 HA VAL 29 HA VAL 29 2.742 0.903 2.808 265 HB VAL 29 HB VAL 29 3.669 -1.307 2.319 266 HG11 VAL 29 1HG1 VAL 29 5.345 -1.024 4.803 267 HG12 VAL 29 2HG1 VAL 29 5.970 -0.783 3.173 268 HG13 VAL 29 3HG1 VAL 29 5.337 -2.357 3.652 269 HG21 VAL 29 3HG2 VAL 29 2.833 -2.487 4.285 270 HG22 VAL 29 1HG2 VAL 29 1.787 -1.128 3.875 271 HG23 VAL 29 2HG2 VAL 29 2.913 -1.000 5.225 272 H GLU 30 H GLU 30 5.916 1.182 4.344 273 HA GLU 30 HA GLU 30 4.870 1.606 6.971 274 HB2 GLU 30 2HB GLU 30 7.149 0.722 6.515 275 HB3 GLU 30 1HB GLU 30 7.605 2.297 5.883 276 HG2 GLU 30 2HG GLU 30 8.398 2.054 8.142 277 HG3 GLU 30 1HG GLU 30 7.148 3.295 8.076 278 H PHE 31 H PHE 31 6.480 3.783 4.645 279 HA PHE 31 HA PHE 31 6.219 6.158 5.995 280 HB2 PHE 31 2HB PHE 31 7.376 5.694 3.776 281 HB3 PHE 31 1HB PHE 31 5.805 5.943 3.021 282 HD1 PHE 31 1HD PHE 31 8.187 7.581 5.358 283 HD2 PHE 31 2HD PHE 31 5.212 8.083 2.358 284 HE1 PHE 31 1HE PHE 31 8.619 10.001 5.346 285 HE2 PHE 31 2HE PHE 31 5.638 10.509 2.340 286 HZ PHE 31 HZ PHE 31 7.346 11.468 3.836 287 H ALA 32 H ALA 32 3.717 4.362 4.379 288 HA ALA 32 HA ALA 32 1.846 6.541 4.279 289 HB1 ALA 32 1HB ALA 32 0.216 4.748 3.683 290 HB2 ALA 32 2HB ALA 32 1.531 3.585 3.857 291 HB3 ALA 32 3HB ALA 32 1.632 4.853 2.632 292 H VAL 33 H VAL 33 2.305 3.730 6.400 293 HA VAL 33 HA VAL 33 0.041 4.402 8.033 294 HB VAL 33 HB VAL 33 1.432 2.105 7.758 295 HG11 VAL 33 1HG1 VAL 33 2.849 1.607 9.578 296 HG12 VAL 33 2HG1 VAL 33 2.436 3.105 10.411 297 HG13 VAL 33 3HG1 VAL 33 3.406 3.153 8.939 298 HG21 VAL 33 3HG2 VAL 33 0.011 2.903 10.292 299 HG22 VAL 33 1HG2 VAL 33 0.253 1.261 9.698 300 HG23 VAL 33 2HG2 VAL 33 -0.772 2.382 8.800 301 H GLU 34 H GLU 34 3.424 5.255 7.904 302 HA GLU 34 HA GLU 34 3.564 6.350 10.540 303 HB2 GLU 34 2HB GLU 34 5.256 6.773 8.071 304 HB3 GLU 34 1HB GLU 34 5.616 7.510 9.627 305 HG2 GLU 34 2HG GLU 34 5.353 4.541 9.248 306 HG3 GLU 34 1HG GLU 34 6.879 5.406 9.066 307 H TYR 35 H TYR 35 2.750 7.570 7.346 308 HA TYR 35 HA TYR 35 2.541 10.312 8.195 309 HB2 TYR 35 2HB TYR 35 3.172 9.961 5.922 310 HB3 TYR 35 1HB TYR 35 1.789 8.909 5.631 311 HD1 TYR 35 1HD TYR 35 -0.510 9.890 5.579 312 HD2 TYR 35 2HD TYR 35 2.975 12.330 5.695 313 HE1 TYR 35 1HE TYR 35 -1.843 11.818 4.840 314 HE2 TYR 35 2HE TYR 35 1.648 14.266 4.951 315 HH TYR 35 HH TYR 35 -0.349 14.991 4.289 316 H PHE 36 H PHE 36 0.178 7.769 7.320 317 HA PHE 36 HA PHE 36 -2.081 9.421 7.699 318 HB2 PHE 36 2HB PHE 36 -1.616 6.511 7.311 319 HB3 PHE 36 1HB PHE 36 -3.152 6.971 8.036 320 HD1 PHE 36 1HD PHE 36 -4.543 8.738 6.819 321 HD2 PHE 36 2HD PHE 36 -1.357 6.597 4.982 322 HE1 PHE 36 1HE PHE 36 -5.462 9.279 4.604 323 HE2 PHE 36 2HE PHE 36 -2.272 7.134 2.762 324 HZ PHE 36 HZ PHE 36 -4.327 8.480 2.571 325 H THR 37 H THR 37 -0.641 6.952 9.860 326 HA THR 37 HA THR 37 -2.450 7.185 11.938 327 HB THR 37 HB THR 37 -0.642 6.419 13.436 328 HG1 THR 37 1HG THR 37 0.981 6.868 11.163 329 HG21 THR 37 3HG2 THR 37 -0.965 5.049 10.802 330 HG22 THR 37 1HG2 THR 37 -1.605 4.602 12.382 331 HG23 THR 37 2HG2 THR 37 0.114 4.409 12.041 332 H ARG 38 H ARG 38 0.591 9.026 11.543 333 HA ARG 38 HA ARG 38 0.398 10.615 13.794 334 HB2 ARG 38 2HB ARG 38 1.908 10.653 11.344 335 HB3 ARG 38 1HB ARG 38 1.364 12.285 11.688 336 HG2 ARG 38 2HG ARG 38 3.429 12.178 12.729 337 HG3 ARG 38 1HG ARG 38 2.299 11.884 14.051 338 HD2 ARG 38 2HD ARG 38 3.679 9.704 12.493 339 HD3 ARG 38 1HD ARG 38 4.290 10.364 14.007 340 HE ARG 38 HE ARG 38 2.162 8.487 13.681 341 HH11 ARG 38 1HH1 ARG 38 3.340 11.061 15.731 342 HH12 ARG 38 2HH1 ARG 38 2.531 10.468 17.142 343 HH21 ARG 38 1HH2 ARG 38 1.106 7.714 15.539 344 HH22 ARG 38 2HH2 ARG 38 1.266 8.571 17.035 345 H LEU 39 H LEU 39 -0.787 11.419 10.532 346 HA LEU 39 HA LEU 39 -2.082 13.798 11.183 347 HB2 LEU 39 2HB LEU 39 -1.626 12.592 8.882 348 HB3 LEU 39 1HB LEU 39 -3.245 11.965 9.119 349 HG LEU 39 HG LEU 39 -2.577 14.909 9.107 350 HD11 LEU 39 1HD1 LEU 39 -2.074 13.925 6.931 351 HD12 LEU 39 2HD1 LEU 39 -3.505 14.953 6.850 352 HD13 LEU 39 3HD1 LEU 39 -3.682 13.199 6.881 353 HD21 LEU 39 3HD2 LEU 39 -5.160 13.361 9.080 354 HD22 LEU 39 1HD2 LEU 39 -5.050 15.076 8.683 355 HD23 LEU 39 2HD2 LEU 39 -4.597 14.513 10.291 356 H ARG 40 H ARG 40 -3.422 10.514 10.966 357 HA ARG 40 HA ARG 40 -6.043 10.975 11.647 358 HB2 ARG 40 2HB ARG 40 -4.727 8.772 11.083 359 HB3 ARG 40 1HB ARG 40 -4.618 8.615 12.829 360 HG2 ARG 40 2HG ARG 40 -7.075 8.654 11.112 361 HG3 ARG 40 1HG ARG 40 -6.484 7.362 12.157 362 HD2 ARG 40 2HD ARG 40 -6.844 8.916 14.102 363 HD3 ARG 40 1HD ARG 40 -7.651 10.008 12.978 364 HE ARG 40 HE ARG 40 -9.435 8.574 12.867 365 HH11 ARG 40 1HH1 ARG 40 -6.844 7.036 14.635 366 HH12 ARG 40 2HH1 ARG 40 -7.853 5.773 15.250 367 HH21 ARG 40 1HH2 ARG 40 -10.755 6.905 13.670 368 HH22 ARG 40 2HH2 ARG 40 -10.069 5.696 14.703 369 H GLU 41 H GLU 41 -3.424 10.170 13.929 370 HA GLU 41 HA GLU 41 -5.004 10.613 16.243 371 HB2 GLU 41 2HB GLU 41 -1.995 10.573 15.948 372 HB3 GLU 41 1HB GLU 41 -2.873 10.474 17.468 373 HG2 GLU 41 2HG GLU 41 -3.167 8.472 15.245 374 HG3 GLU 41 1HG GLU 41 -2.023 8.301 16.575 375 H ALA 42 H ALA 42 -2.763 12.636 14.417 376 HA ALA 42 HA ALA 42 -2.476 14.753 16.187 377 HB1 ALA 42 1HB ALA 42 -1.167 14.580 14.153 378 HB2 ALA 42 2HB ALA 42 -1.993 16.137 14.213 379 HB3 ALA 42 3HB ALA 42 -2.610 14.850 13.176 380 H ARG 43 H ARG 43 -5.031 14.175 13.800 381 HA ARG 43 HA ARG 43 -6.510 16.491 14.822 382 HB2 ARG 43 2HB ARG 43 -7.833 16.388 12.820 383 HB3 ARG 43 1HB ARG 43 -6.136 16.322 12.374 384 HG2 ARG 43 2HG ARG 43 -6.789 14.623 11.057 385 HG3 ARG 43 1HG ARG 43 -6.697 13.675 12.540 386 HD2 ARG 43 2HD ARG 43 -8.797 13.281 11.347 387 HD3 ARG 43 1HD ARG 43 -9.079 14.016 12.922 388 HE ARG 43 HE ARG 43 -9.984 15.827 11.874 389 HH11 ARG 43 1HH1 ARG 43 -8.127 14.021 9.526 390 HH12 ARG 43 2HH1 ARG 43 -8.652 14.984 8.189 391 HH21 ARG 43 1HH2 ARG 43 -10.673 17.089 10.113 392 HH22 ARG 43 2HH2 ARG 43 -10.096 16.726 8.520 393 H ALA 44 H ALA 44 -8.637 16.319 15.533 394 HA ALA 44 HA ALA 44 -10.348 15.386 16.708 395 HB1 ALA 44 1HB ALA 44 -10.808 14.487 14.430 396 HB2 ALA 44 2HB ALA 44 -11.429 13.483 15.742 397 HB3 ALA 44 3HB ALA 44 -9.955 13.015 14.893 398 H1 GLY -7 1HT GLY -7 20.778 5.753 -24.471 399 H2 GLY -7 2HT GLY -7 19.291 5.425 -23.735 400 H3 GLY -7 3HT GLY -7 20.689 4.631 -23.206 401 HA2 GLY -7 1HA GLY -7 20.825 7.520 -23.120 402 HA3 GLY -7 2HA GLY -7 19.650 6.803 -22.030 403 H ALA -6 H ALA -6 20.364 6.152 -20.101 404 HA ALA -6 HA ALA -6 22.899 4.937 -19.687 405 HB1 ALA -6 1HB ALA -6 22.609 7.751 -18.640 406 HB2 ALA -6 2HB ALA -6 23.664 7.253 -19.961 407 HB3 ALA -6 3HB ALA -6 23.954 6.655 -18.328 408 H MET -5 H MET -5 20.728 7.083 -17.828 409 HA MET -5 HA MET -5 19.992 4.819 -16.119 410 HB2 MET -5 2HB MET -5 21.255 7.390 -15.177 411 HB3 MET -5 1HB MET -5 20.240 6.423 -14.118 412 HG2 MET -5 2HG MET -5 22.346 5.677 -13.580 413 HG3 MET -5 1HG MET -5 21.823 4.479 -14.760 414 HE1 MET -5 3HE MET -5 25.691 4.905 -15.210 415 HE2 MET -5 1HE MET -5 24.490 3.682 -15.628 416 HE3 MET -5 2HE MET -5 24.501 4.391 -14.013 417 H GLY -4 H GLY -4 19.480 8.265 -16.839 418 HA2 GLY -4 2HA GLY -4 16.658 7.873 -17.135 419 HA3 GLY -4 1HA GLY -4 17.050 8.689 -15.628 420 H SER -3 H SER -3 19.060 10.356 -16.275 421 HA SER -3 HA SER -3 19.714 12.213 -17.459 422 HB2 SER -3 2HB SER -3 18.649 10.913 -19.499 423 HB3 SER -3 1HB SER -3 17.374 12.117 -19.325 424 HG SER -3 HG SER -3 20.130 12.552 -19.814 425 H MET -2 H MET -2 16.466 11.668 -16.372 426 HA MET -2 HA MET -2 15.561 14.347 -16.416 427 HB2 MET -2 2HB MET -2 14.727 11.905 -14.864 428 HB3 MET -2 1HB MET -2 13.970 13.468 -14.580 429 HG2 MET -2 2HG MET -2 12.574 12.330 -16.083 430 HG3 MET -2 1HG MET -2 13.441 13.530 -17.038 431 HE1 MET -2 3HE MET -2 13.012 12.515 -19.311 432 HE2 MET -2 1HE MET -2 14.237 11.422 -19.955 433 HE3 MET -2 2HE MET -2 14.720 12.944 -19.205 434 H SER -1 H SER -1 15.066 15.606 -14.397 435 HA SER -1 HA SER -1 16.593 15.181 -12.042 436 HB2 SER -1 2HB SER -1 18.417 15.858 -13.599 437 HB3 SER -1 1HB SER -1 17.593 17.397 -13.844 438 HG SER -1 HG SER -1 17.747 17.605 -11.474 439 H HIS 2 H HIS 2 14.703 15.644 -10.971 440 HA HIS 2 HA HIS 2 14.230 18.274 -10.213 441 HB2 HIS 2 2HB HIS 2 12.979 17.671 -12.702 442 HB3 HIS 2 1HB HIS 2 11.700 17.739 -11.500 443 HD1 HIS 2 1HD HIS 2 14.031 19.856 -13.419 444 HD2 HIS 2 2HD HIS 2 11.418 20.271 -10.214 445 HE1 HIS 2 1HE HIS 2 13.719 22.334 -13.123 446 HE2 HIS 2 2HE HIS 2 12.098 22.562 -11.207 447 H ILE 3 H ILE 3 11.859 15.750 -10.974 448 HA ILE 3 HA ILE 3 11.794 14.816 -8.232 449 HB ILE 3 HB ILE 3 9.476 16.291 -9.495 450 HG12 ILE 3 2HG1 ILE 3 9.561 17.220 -6.994 451 HG13 ILE 3 1HG1 ILE 3 11.242 16.726 -7.114 452 HG21 ILE 3 1HG2 ILE 3 8.522 14.305 -8.653 453 HG22 ILE 3 2HG2 ILE 3 8.196 15.568 -7.469 454 HG23 ILE 3 3HG2 ILE 3 9.480 14.398 -7.176 455 HD11 ILE 3 3HD1 ILE 3 10.740 18.168 -9.447 456 HD12 ILE 3 1HD1 ILE 3 11.642 18.697 -8.027 457 HD13 ILE 3 2HD1 ILE 3 9.919 19.047 -8.160 458 H GLN 4 H GLN 4 10.517 12.843 -8.011 459 HA GLN 4 HA GLN 4 9.250 11.673 -10.299 460 HB2 GLN 4 2HB GLN 4 10.802 9.767 -10.540 461 HB3 GLN 4 1HB GLN 4 11.541 11.301 -10.980 462 HG2 GLN 4 2HG GLN 4 12.564 11.366 -8.702 463 HG3 GLN 4 1HG GLN 4 11.958 9.731 -8.450 464 HE21 GLN 4 1HE2 GLN 4 12.561 8.188 -10.274 465 HE22 GLN 4 2HE2 GLN 4 14.194 8.270 -10.829 466 H ILE 5 H ILE 5 7.811 10.126 -9.697 467 HA ILE 5 HA ILE 5 7.510 9.552 -6.890 468 HB ILE 5 HB ILE 5 5.910 8.900 -9.342 469 HG12 ILE 5 2HG1 ILE 5 4.105 9.836 -7.644 470 HG13 ILE 5 1HG1 ILE 5 5.510 10.495 -6.830 471 HG21 ILE 5 1HG2 ILE 5 5.722 7.518 -6.690 472 HG22 ILE 5 2HG2 ILE 5 5.717 6.818 -8.310 473 HG23 ILE 5 3HG2 ILE 5 4.305 7.698 -7.725 474 HD11 ILE 5 3HD1 ILE 5 4.437 12.076 -8.378 475 HD12 ILE 5 1HD1 ILE 5 4.808 10.986 -9.712 476 HD13 ILE 5 2HD1 ILE 5 6.117 11.738 -8.803 477 HA PRO 6 HA PRO 6 10.270 5.969 -6.923 478 HB2 PRO 6 2HB PRO 6 8.450 5.316 -4.631 479 HB3 PRO 6 1HB PRO 6 10.211 5.197 -4.735 480 HG2 PRO 6 2HG PRO 6 9.076 7.226 -3.453 481 HG3 PRO 6 1HG PRO 6 10.512 7.484 -4.463 482 HD2 PRO 6 2HD PRO 6 7.667 8.191 -4.998 483 HD3 PRO 6 1HD PRO 6 9.157 9.011 -5.513 484 HA PRO 7 HA PRO 7 7.571 3.412 -9.535 485 HB2 PRO 7 2HB PRO 7 9.733 1.474 -8.770 486 HB3 PRO 7 1HB PRO 7 8.979 1.748 -10.346 487 HG2 PRO 7 2HG PRO 7 11.369 2.770 -9.812 488 HG3 PRO 7 1HG PRO 7 10.170 3.708 -10.723 489 HD2 PRO 7 2HD PRO 7 11.085 4.029 -7.909 490 HD3 PRO 7 1HD PRO 7 10.500 5.251 -9.056 491 H GLY 8 H GLY 8 5.950 1.996 -9.113 492 HA2 GLY 8 2HA GLY 8 4.861 0.225 -8.012 493 HA3 GLY 8 1HA GLY 8 6.057 0.304 -6.729 494 H LEU 9 H LEU 9 5.735 3.226 -6.452 495 HA LEU 9 HA LEU 9 3.872 3.293 -4.391 496 HB2 LEU 9 2HB LEU 9 5.738 4.911 -4.798 497 HB3 LEU 9 1HB LEU 9 4.777 5.626 -6.072 498 HG LEU 9 HG LEU 9 4.823 6.812 -3.807 499 HD11 LEU 9 1HD1 LEU 9 2.030 6.189 -4.694 500 HD12 LEU 9 2HD1 LEU 9 3.131 7.114 -5.714 501 HD13 LEU 9 3HD1 LEU 9 2.704 7.708 -4.111 502 HD21 LEU 9 3HD2 LEU 9 2.737 4.802 -3.021 503 HD22 LEU 9 1HD2 LEU 9 3.528 6.028 -2.030 504 HD23 LEU 9 2HD2 LEU 9 4.430 4.613 -2.567 505 H THR 10 H THR 10 3.505 4.238 -7.791 506 HA THR 10 HA THR 10 0.983 5.370 -7.681 507 HB THR 10 HB THR 10 2.115 3.619 -9.873 508 HG1 THR 10 1HG THR 10 3.368 5.479 -9.341 509 HG21 THR 10 3HG2 THR 10 -0.126 3.822 -10.458 510 HG22 THR 10 1HG2 THR 10 0.656 5.148 -11.316 511 HG23 THR 10 2HG2 THR 10 -0.243 5.466 -9.832 512 H GLU 11 H GLU 11 1.886 1.961 -7.818 513 HA GLU 11 HA GLU 11 -0.734 0.939 -8.109 514 HB2 GLU 11 2HB GLU 11 1.464 -0.264 -8.544 515 HB3 GLU 11 1HB GLU 11 1.579 -0.492 -6.805 516 HG2 GLU 11 2HG GLU 11 0.671 -2.479 -7.672 517 HG3 GLU 11 1HG GLU 11 -0.671 -1.617 -6.921 518 H LEU 12 H LEU 12 1.317 1.475 -5.249 519 HA LEU 12 HA LEU 12 -0.322 0.339 -3.322 520 HB2 LEU 12 2HB LEU 12 1.743 2.480 -3.310 521 HB3 LEU 12 1HB LEU 12 0.719 2.359 -1.894 522 HG LEU 12 HG LEU 12 2.932 1.144 -1.783 523 HD11 LEU 12 1HD1 LEU 12 1.990 -0.819 -0.661 524 HD12 LEU 12 2HD1 LEU 12 0.415 -0.456 -1.362 525 HD13 LEU 12 3HD1 LEU 12 1.151 0.666 -0.220 526 HD21 LEU 12 3HD2 LEU 12 1.582 -0.917 -3.508 527 HD22 LEU 12 1HD2 LEU 12 3.245 -0.897 -2.919 528 HD23 LEU 12 2HD2 LEU 12 2.731 0.260 -4.145 529 H LEU 13 H LEU 13 -0.309 3.749 -4.402 530 HA LEU 13 HA LEU 13 -2.491 4.559 -2.824 531 HB2 LEU 13 2HB LEU 13 -1.468 5.606 -5.467 532 HB3 LEU 13 1HB LEU 13 -2.736 6.392 -4.548 533 HG LEU 13 HG LEU 13 0.047 5.925 -3.479 534 HD11 LEU 13 1HD1 LEU 13 0.168 7.380 -5.424 535 HD12 LEU 13 2HD1 LEU 13 0.452 8.301 -3.947 536 HD13 LEU 13 3HD1 LEU 13 -1.109 8.399 -4.762 537 HD21 LEU 13 3HD2 LEU 13 -2.375 6.712 -2.230 538 HD22 LEU 13 1HD2 LEU 13 -1.336 8.133 -2.306 539 HD23 LEU 13 2HD2 LEU 13 -0.755 6.656 -1.541 540 H GLN 14 H GLN 14 -2.277 3.099 -6.008 541 HA GLN 14 HA GLN 14 -5.003 3.378 -6.711 542 HB2 GLN 14 2HB GLN 14 -2.968 2.749 -8.194 543 HB3 GLN 14 1HB GLN 14 -3.285 1.101 -7.668 544 HG2 GLN 14 2HG GLN 14 -5.749 1.739 -8.450 545 HG3 GLN 14 1HG GLN 14 -4.854 2.861 -9.471 546 HE21 GLN 14 1HE2 GLN 14 -2.560 1.174 -9.808 547 HE22 GLN 14 2HE2 GLN 14 -3.033 -0.123 -10.845 548 H GLY 15 H GLY 15 -3.190 0.733 -5.187 549 HA2 GLY 15 2HA GLY 15 -5.177 -1.191 -5.040 550 HA3 GLY 15 1HA GLY 15 -3.887 -1.008 -3.862 551 H TYR 16 H TYR 16 -4.656 1.595 -2.960 552 HA TYR 16 HA TYR 16 -6.686 0.822 -1.070 553 HB2 TYR 16 2HB TYR 16 -4.876 2.100 -0.200 554 HB3 TYR 16 1HB TYR 16 -5.038 3.321 -1.458 555 HD1 TYR 16 2HD TYR 16 -6.839 1.859 1.457 556 HD2 TYR 16 1HD TYR 16 -6.284 5.263 -1.033 557 HE1 TYR 16 2HE TYR 16 -8.259 3.186 2.964 558 HE2 TYR 16 1HE TYR 16 -7.705 6.598 0.469 559 HH TYR 16 HH TYR 16 -8.467 6.582 2.777 560 H THR 17 H THR 17 -6.383 3.241 -3.649 561 HA THR 17 HA THR 17 -8.874 4.435 -3.270 562 HB THR 17 HB THR 17 -7.577 4.247 -5.974 563 HG1 THR 17 1HG THR 17 -6.116 5.773 -5.340 564 HG21 THR 17 3HG2 THR 17 -8.160 6.839 -5.601 565 HG22 THR 17 1HG2 THR 17 -9.437 6.107 -4.632 566 HG23 THR 17 2HG2 THR 17 -9.275 5.690 -6.338 567 H VAL 18 H VAL 18 -8.056 1.471 -4.957 568 HA VAL 18 HA VAL 18 -10.512 1.322 -6.421 569 HB VAL 18 HB VAL 18 -10.000 -1.106 -6.692 570 HG11 VAL 18 1HG1 VAL 18 -7.840 -0.745 -7.956 571 HG12 VAL 18 2HG1 VAL 18 -7.868 0.909 -7.348 572 HG13 VAL 18 3HG1 VAL 18 -9.177 0.324 -8.374 573 HG21 VAL 18 3HG2 VAL 18 -8.085 -2.124 -5.804 574 HG22 VAL 18 1HG2 VAL 18 -8.794 -1.258 -4.442 575 HG23 VAL 18 2HG2 VAL 18 -7.400 -0.586 -5.284 576 H GLU 19 H GLU 19 -9.527 0.506 -3.201 577 HA GLU 19 HA GLU 19 -11.832 -1.120 -2.617 578 HB2 GLU 19 2HB GLU 19 -9.409 -1.053 -1.500 579 HB3 GLU 19 1HB GLU 19 -10.203 0.088 -0.424 580 HG2 GLU 19 2HG GLU 19 -11.899 -1.594 0.103 581 HG3 GLU 19 1HG GLU 19 -11.096 -2.734 -0.974 582 H VAL 20 H VAL 20 -10.766 2.179 -1.764 583 HA VAL 20 HA VAL 20 -12.897 2.904 -0.151 584 HB VAL 20 HB VAL 20 -10.798 4.269 -0.646 585 HG11 VAL 20 1HG1 VAL 20 -10.813 5.861 -2.406 586 HG12 VAL 20 2HG1 VAL 20 -12.449 5.410 -2.880 587 HG13 VAL 20 3HG1 VAL 20 -11.123 4.282 -3.112 588 HG21 VAL 20 3HG2 VAL 20 -13.450 5.693 -0.638 589 HG22 VAL 20 1HG2 VAL 20 -11.901 6.396 -0.180 590 HG23 VAL 20 2HG2 VAL 20 -12.591 5.088 0.779 591 H LEU 21 H LEU 21 -12.639 3.066 -3.674 592 HA LEU 21 HA LEU 21 -15.110 4.294 -4.177 593 HB2 LEU 21 2HB LEU 21 -13.154 2.718 -5.741 594 HB3 LEU 21 1HB LEU 21 -14.788 2.714 -6.371 595 HG LEU 21 HG LEU 21 -14.780 5.100 -6.627 596 HD11 LEU 21 1HD1 LEU 21 -13.619 5.893 -4.747 597 HD12 LEU 21 2HD1 LEU 21 -12.635 6.360 -6.131 598 HD13 LEU 21 3HD1 LEU 21 -12.170 4.975 -5.146 599 HD21 LEU 21 3HD2 LEU 21 -12.117 4.118 -7.628 600 HD22 LEU 21 1HD2 LEU 21 -13.174 5.327 -8.354 601 HD23 LEU 21 2HD2 LEU 21 -13.654 3.630 -8.340 602 H ARG 22 H ARG 22 -14.239 0.853 -4.076 603 HA ARG 22 HA ARG 22 -16.869 -0.099 -4.575 604 HB2 ARG 22 2HB ARG 22 -14.468 -1.457 -3.356 605 HB3 ARG 22 1HB ARG 22 -15.953 -2.288 -3.793 606 HG2 ARG 22 2HG ARG 22 -15.625 -1.736 -6.120 607 HG3 ARG 22 1HG ARG 22 -14.191 -0.791 -5.714 608 HD2 ARG 22 2HD ARG 22 -14.487 -3.725 -5.121 609 HD3 ARG 22 1HD ARG 22 -13.724 -3.098 -6.582 610 HE ARG 22 HE ARG 22 -12.335 -1.841 -4.682 611 HH11 ARG 22 1HH1 ARG 22 -13.209 -5.214 -5.004 612 HH12 ARG 22 2HH1 ARG 22 -11.826 -5.775 -4.131 613 HH21 ARG 22 1HH2 ARG 22 -10.521 -2.592 -3.544 614 HH22 ARG 22 2HH2 ARG 22 -10.301 -4.293 -3.306 615 H GLN 23 H GLN 23 -15.312 0.947 -1.635 616 HA GLN 23 HA GLN 23 -17.383 -0.367 -0.010 617 HB2 GLN 23 2HB GLN 23 -14.886 -0.518 0.533 618 HB3 GLN 23 1HB GLN 23 -15.008 1.162 1.038 619 HG2 GLN 23 2HG GLN 23 -15.238 -0.085 3.000 620 HG3 GLN 23 1HG GLN 23 -16.878 0.408 2.579 621 HE21 GLN 23 1HE2 GLN 23 -18.324 -1.139 1.781 622 HE22 GLN 23 2HE2 GLN 23 -18.061 -2.831 2.006 623 H GLN 24 H GLN 24 -15.931 2.808 -0.554 624 HA GLN 24 HA GLN 24 -16.710 4.909 -0.289 625 HB2 GLN 24 2HB GLN 24 -19.461 3.688 -0.020 626 HB3 GLN 24 1HB GLN 24 -19.075 5.342 -0.467 627 HG2 GLN 24 2HG GLN 24 -18.255 2.968 -2.117 628 HG3 GLN 24 1HG GLN 24 -19.779 3.823 -2.340 629 HE21 GLN 24 1HE2 GLN 24 -18.689 3.995 -4.523 630 HE22 GLN 24 2HE2 GLN 24 -17.725 5.402 -4.795 631 HA PRO 25 HA PRO 25 -17.048 4.260 4.291 632 HB2 PRO 25 2HB PRO 25 -14.591 5.029 5.015 633 HB3 PRO 25 1HB PRO 25 -14.876 3.422 4.334 634 HG2 PRO 25 2HG PRO 25 -13.801 5.880 3.006 635 HG3 PRO 25 1HG PRO 25 -13.248 4.202 2.869 636 HD2 PRO 25 2HD PRO 25 -14.901 5.460 1.048 637 HD3 PRO 25 1HD PRO 25 -14.798 3.702 1.264 638 HA PRO 26 HA PRO 26 -17.876 8.524 5.151 639 HB2 PRO 26 2HB PRO 26 -17.713 8.638 7.833 640 HB3 PRO 26 1HB PRO 26 -18.974 7.705 7.016 641 HG2 PRO 26 2HG PRO 26 -16.393 6.753 8.208 642 HG3 PRO 26 1HG PRO 26 -18.017 6.058 8.366 643 HD2 PRO 26 2HD PRO 26 -16.161 5.103 6.619 644 HD3 PRO 26 1HD PRO 26 -17.907 5.015 6.316 645 H ASP 27 H ASP 27 -14.831 7.226 6.372 646 HA ASP 27 HA ASP 27 -13.662 9.918 6.141 647 HB2 ASP 27 2HB ASP 27 -13.307 7.947 8.397 648 HB3 ASP 27 1HB ASP 27 -12.166 9.255 8.100 649 H LEU 28 H LEU 28 -11.757 10.046 5.146 650 HA LEU 28 HA LEU 28 -10.777 7.688 3.792 651 HB2 LEU 28 2HB LEU 28 -10.064 10.611 3.677 652 HB3 LEU 28 1HB LEU 28 -9.133 9.400 2.818 653 HG LEU 28 HG LEU 28 -10.837 10.616 1.437 654 HD11 LEU 28 1HD1 LEU 28 -11.315 7.651 1.614 655 HD12 LEU 28 2HD1 LEU 28 -9.901 8.382 0.856 656 HD13 LEU 28 3HD1 LEU 28 -11.510 8.690 0.204 657 HD21 LEU 28 3HD2 LEU 28 -13.151 10.147 1.667 658 HD22 LEU 28 1HD2 LEU 28 -12.570 10.650 3.254 659 HD23 LEU 28 2HD2 LEU 28 -12.852 8.942 2.918 660 H VAL 29 H VAL 29 -9.554 10.045 6.148 661 HA VAL 29 HA VAL 29 -6.965 9.024 6.396 662 HB VAL 29 HB VAL 29 -7.790 11.209 7.330 663 HG11 VAL 29 1HG1 VAL 29 -8.709 9.571 9.684 664 HG12 VAL 29 2HG1 VAL 29 -9.800 10.206 8.452 665 HG13 VAL 29 3HG1 VAL 29 -8.857 11.313 9.450 666 HG21 VAL 29 3HG2 VAL 29 -5.594 10.504 7.896 667 HG22 VAL 29 1HG2 VAL 29 -6.198 9.343 9.077 668 HG23 VAL 29 2HG2 VAL 29 -6.347 11.073 9.384 669 H GLU 30 H GLU 30 -9.966 8.114 8.022 670 HA GLU 30 HA GLU 30 -8.748 6.275 9.833 671 HB2 GLU 30 2HB GLU 30 -11.609 6.464 8.872 672 HB3 GLU 30 1HB GLU 30 -11.058 5.472 10.214 673 HG2 GLU 30 2HG GLU 30 -10.524 7.366 11.519 674 HG3 GLU 30 1HG GLU 30 -10.699 8.453 10.144 675 H PHE 31 H PHE 31 -10.727 5.801 6.907 676 HA PHE 31 HA PHE 31 -10.465 3.045 6.708 677 HB2 PHE 31 2HB PHE 31 -12.002 4.500 5.373 678 HB3 PHE 31 1HB PHE 31 -10.620 4.984 4.397 679 HD1 PHE 31 2HD PHE 31 -12.140 1.811 5.646 680 HD2 PHE 31 1HD PHE 31 -10.424 3.917 2.371 681 HE1 PHE 31 2HE PHE 31 -12.511 -0.144 4.201 682 HE2 PHE 31 1HE PHE 31 -10.794 1.965 0.919 683 HZ PHE 31 HZ PHE 31 -11.839 -0.067 1.835 684 H ALA 32 H ALA 32 -8.213 5.565 5.887 685 HA ALA 32 HA ALA 32 -6.486 3.905 4.299 686 HB1 ALA 32 1HB ALA 32 -6.125 6.648 5.479 687 HB2 ALA 32 2HB ALA 32 -6.528 6.234 3.812 688 HB3 ALA 32 3HB ALA 32 -4.929 5.850 4.457 689 H VAL 33 H VAL 33 -6.231 5.333 7.556 690 HA VAL 33 HA VAL 33 -3.745 4.256 8.180 691 HB VAL 33 HB VAL 33 -5.262 5.981 9.477 692 HG11 VAL 33 1HG1 VAL 33 -6.919 4.162 10.082 693 HG12 VAL 33 2HG1 VAL 33 -6.362 5.184 11.402 694 HG13 VAL 33 3HG1 VAL 33 -5.703 3.560 11.206 695 HG21 VAL 33 3HG2 VAL 33 -3.168 4.149 10.608 696 HG22 VAL 33 1HG2 VAL 33 -3.849 5.470 11.558 697 HG23 VAL 33 2HG2 VAL 33 -3.002 5.813 10.048 698 H GLU 34 H GLU 34 -6.938 2.794 8.439 699 HA GLU 34 HA GLU 34 -5.983 0.483 9.861 700 HB2 GLU 34 2HB GLU 34 -8.218 -0.388 9.622 701 HB3 GLU 34 1HB GLU 34 -8.308 1.307 10.074 702 HG2 GLU 34 2HG GLU 34 -9.940 1.094 8.446 703 HG3 GLU 34 1HG GLU 34 -8.570 1.762 7.565 704 H TYR 35 H TYR 35 -6.646 1.312 6.516 705 HA TYR 35 HA TYR 35 -6.465 -1.283 5.423 706 HB2 TYR 35 2HB TYR 35 -7.438 0.550 4.160 707 HB3 TYR 35 1HB TYR 35 -5.912 1.423 4.187 708 HD1 TYR 35 1HD TYR 35 -3.905 0.325 2.988 709 HD2 TYR 35 2HD TYR 35 -7.940 -0.886 2.375 710 HE1 TYR 35 1HE TYR 35 -3.265 -0.709 0.853 711 HE2 TYR 35 2HE TYR 35 -7.307 -1.922 0.232 712 HH TYR 35 HH TYR 35 -4.634 -1.274 -1.403 713 H PHE 36 H PHE 36 -4.008 1.260 5.889 714 HA PHE 36 HA PHE 36 -1.916 -0.243 4.692 715 HB2 PHE 36 2HB PHE 36 -2.055 2.257 6.329 716 HB3 PHE 36 1HB PHE 36 -0.489 1.485 6.093 717 HD1 PHE 36 2HD PHE 36 0.254 1.008 3.710 718 HD2 PHE 36 1HD PHE 36 -2.948 3.646 4.659 719 HE1 PHE 36 2HE PHE 36 0.455 2.047 1.491 720 HE2 PHE 36 1HE PHE 36 -2.755 4.685 2.437 721 HZ PHE 36 HZ PHE 36 -1.049 3.884 0.848 722 H THR 37 H THR 37 -2.943 0.182 8.074 723 HA THR 37 HA THR 37 -0.800 -1.208 9.254 724 HB THR 37 HB THR 37 -2.472 -1.655 11.129 725 HG1 THR 37 1HG THR 37 -4.476 -0.838 10.943 726 HG21 THR 37 3HG2 THR 37 -2.113 1.164 10.171 727 HG22 THR 37 1HG2 THR 37 -1.109 0.286 11.321 728 HG23 THR 37 2HG2 THR 37 -2.764 0.722 11.746 729 H ARG 38 H ARG 38 -3.864 -2.293 7.927 730 HA ARG 38 HA ARG 38 -3.776 -4.976 8.723 731 HB2 ARG 38 2HB ARG 38 -5.693 -3.690 7.607 732 HB3 ARG 38 1HB ARG 38 -4.903 -4.060 6.081 733 HG2 ARG 38 2HG ARG 38 -5.197 -6.395 6.396 734 HG3 ARG 38 1HG ARG 38 -5.712 -6.166 8.068 735 HD2 ARG 38 2HD ARG 38 -7.665 -4.867 7.198 736 HD3 ARG 38 1HD ARG 38 -7.189 -5.345 5.572 737 HE ARG 38 HE ARG 38 -8.539 -6.949 7.518 738 HH11 ARG 38 1HH1 ARG 38 -6.378 -7.081 4.771 739 HH12 ARG 38 2HH1 ARG 38 -6.812 -8.703 4.357 740 HH21 ARG 38 1HH2 ARG 38 -9.103 -9.081 6.966 741 HH22 ARG 38 2HH2 ARG 38 -8.357 -9.838 5.599 742 H LEU 39 H LEU 39 -2.436 -3.366 5.878 743 HA LEU 39 HA LEU 39 -1.466 -5.717 4.631 744 HB2 LEU 39 2HB LEU 39 -1.800 -3.788 3.289 745 HB3 LEU 39 1HB LEU 39 -0.801 -2.798 4.335 746 HG LEU 39 HG LEU 39 1.192 -3.941 3.589 747 HD11 LEU 39 1HD1 LEU 39 1.047 -5.597 1.738 748 HD12 LEU 39 2HD1 LEU 39 -0.701 -5.636 1.977 749 HD13 LEU 39 3HD1 LEU 39 0.378 -6.168 3.266 750 HD21 LEU 39 3HD2 LEU 39 -0.499 -3.190 1.214 751 HD22 LEU 39 1HD2 LEU 39 1.261 -3.164 1.315 752 HD23 LEU 39 2HD2 LEU 39 0.305 -2.036 2.277 753 H ARG 40 H ARG 40 0.253 -3.151 6.437 754 HA ARG 40 HA ARG 40 2.768 -4.291 6.457 755 HB2 ARG 40 2HB ARG 40 2.261 -2.014 7.193 756 HB3 ARG 40 1HB ARG 40 1.449 -2.644 8.617 757 HG2 ARG 40 2HG ARG 40 3.384 -3.088 9.707 758 HG3 ARG 40 1HG ARG 40 4.243 -3.528 8.231 759 HD2 ARG 40 2HD ARG 40 3.502 -0.690 8.386 760 HD3 ARG 40 1HD ARG 40 4.621 -1.215 9.643 761 HE ARG 40 HE ARG 40 5.236 -0.791 6.923 762 HH11 ARG 40 1HH1 ARG 40 5.933 -2.964 9.563 763 HH12 ARG 40 2HH1 ARG 40 7.490 -3.411 8.949 764 HH21 ARG 40 1HH2 ARG 40 7.283 -1.387 6.108 765 HH22 ARG 40 2HH2 ARG 40 8.257 -2.514 6.992 766 H GLU 41 H GLU 41 0.181 -4.677 8.873 767 HA GLU 41 HA GLU 41 1.589 -6.362 10.608 768 HB2 GLU 41 2HB GLU 41 -1.368 -6.067 10.079 769 HB3 GLU 41 1HB GLU 41 -0.723 -7.089 11.357 770 HG2 GLU 41 2HG GLU 41 -0.083 -4.163 11.141 771 HG3 GLU 41 1HG GLU 41 -1.478 -4.776 12.027 772 H ALA 42 H ALA 42 -0.027 -7.016 7.599 773 HA ALA 42 HA ALA 42 -0.291 -9.827 7.925 774 HB1 ALA 42 1HB ALA 42 -0.876 -9.896 5.631 775 HB2 ALA 42 2HB ALA 42 -0.054 -8.372 5.301 776 HB3 ALA 42 3HB ALA 42 -1.529 -8.387 6.266 777 H ARG 43 H ARG 43 2.224 -7.755 6.570 778 HA ARG 43 HA ARG 43 3.895 -10.102 6.023 779 HB2 ARG 43 2HB ARG 43 5.263 -8.658 4.662 780 HB3 ARG 43 1HB ARG 43 3.580 -8.459 4.203 781 HG2 ARG 43 2HG ARG 43 4.055 -6.265 4.301 782 HG3 ARG 43 1HG ARG 43 3.824 -6.475 6.036 783 HD2 ARG 43 2HD ARG 43 5.886 -5.258 5.556 784 HD3 ARG 43 1HD ARG 43 6.223 -6.803 6.328 785 HE ARG 43 HE ARG 43 7.349 -7.453 4.453 786 HH11 ARG 43 1HH1 ARG 43 5.341 -4.712 3.627 787 HH12 ARG 43 2HH1 ARG 43 6.006 -4.553 2.038 788 HH21 ARG 43 1HH2 ARG 43 8.217 -7.236 2.365 789 HH22 ARG 43 2HH2 ARG 43 7.635 -5.982 1.321 790 H ALA 44 H ALA 44 6.041 -10.224 6.780 791 HA ALA 44 HA ALA 44 7.642 -10.138 8.397 792 HB1 ALA 44 1HB ALA 44 8.009 -7.935 7.341 793 HB2 ALA 44 2HB ALA 44 8.425 -7.951 9.055 794 HB3 ALA 44 3HB ALA 44 6.914 -7.214 8.522 795 H1 ALA 578 1HT ALA 578 5.652 -5.930 -8.678 796 H2 ALA 578 2HT ALA 578 4.133 -6.024 -7.885 797 H3 ALA 578 3HT ALA 578 5.528 -6.705 -7.154 798 HA ALA 578 HA ALA 578 5.342 -3.858 -7.807 799 HB1 ALA 578 2HB ALA 578 4.636 -3.480 -5.481 800 HB2 ALA 578 3HB ALA 578 4.452 -5.220 -5.268 801 HB3 ALA 578 1HB ALA 578 3.425 -4.357 -6.414 802 H MET 579 H MET 579 7.381 -3.174 -7.766 803 HA MET 579 HA MET 579 9.498 -2.755 -7.062 804 HB2 MET 579 2HB MET 579 8.248 -2.831 -4.764 805 HB3 MET 579 1HB MET 579 9.079 -4.366 -4.563 806 HG2 MET 579 2HG MET 579 10.444 -2.796 -3.509 807 HG3 MET 579 1HG MET 579 11.223 -3.104 -5.060 808 HE1 MET 579 3HE MET 579 11.829 0.272 -6.352 809 HE2 MET 579 1HE MET 579 11.254 -1.214 -7.109 810 HE3 MET 579 2HE MET 579 12.481 -1.287 -5.844 811 H ALA 580 H ALA 580 8.741 -6.030 -5.839 812 HA ALA 580 HA ALA 580 10.441 -7.275 -7.785 813 HB1 ALA 580 1HB ALA 580 12.108 -6.402 -6.176 814 HB2 ALA 580 2HB ALA 580 12.109 -8.162 -6.288 815 HB3 ALA 580 3HB ALA 580 11.348 -7.367 -4.910 816 H ASP 581 H ASP 581 7.706 -7.437 -6.812 817 HA ASP 581 HA ASP 581 7.643 -10.190 -5.747 818 HB2 ASP 581 2HB ASP 581 6.485 -8.123 -4.567 819 HB3 ASP 581 1HB ASP 581 5.223 -8.417 -5.758 820 H ILE 582 H ILE 582 5.369 -11.216 -6.442 821 HA ILE 582 HA ILE 582 5.585 -11.716 -9.217 822 HB ILE 582 HB ILE 582 3.306 -12.403 -7.350 823 HG12 ILE 582 2HG1 ILE 582 5.611 -14.139 -8.253 824 HG13 ILE 582 1HG1 ILE 582 5.582 -13.287 -6.713 825 HG21 ILE 582 1HG2 ILE 582 2.517 -12.591 -9.585 826 HG22 ILE 582 2HG2 ILE 582 2.893 -14.224 -9.040 827 HG23 ILE 582 3HG2 ILE 582 4.005 -13.376 -10.113 828 HD11 ILE 582 3HD1 ILE 582 4.948 -15.599 -6.428 829 HD12 ILE 582 1HD1 ILE 582 3.649 -15.411 -7.605 830 HD13 ILE 582 2HD1 ILE 582 3.583 -14.542 -6.071 831 H GLY 583 H GLY 583 3.543 -9.604 -7.302 832 HA2 GLY 583 2HA GLY 583 2.224 -7.831 -7.936 833 HA3 GLY 583 1HA GLY 583 2.899 -7.988 -9.550 834 H SER 584 H SER 584 0.174 -7.385 -8.817 835 HA SER 584 HA SER 584 -1.154 -9.175 -10.587 836 HB2 SER 584 2HB SER 584 -1.109 -10.530 -8.472 837 HB3 SER 584 1HB SER 584 -2.074 -9.269 -7.706 838 HG SER 584 HG SER 584 -3.628 -9.648 -9.431 839 H ALA 585 H ALA 585 -2.717 -8.061 -11.586 840 HA ALA 585 HA ALA 585 -3.358 -5.398 -10.714 841 HB1 ALA 585 1HB ALA 585 -4.555 -6.946 -13.007 842 HB2 ALA 585 2HB ALA 585 -3.051 -6.030 -13.098 843 HB3 ALA 585 3HB ALA 585 -4.571 -5.198 -12.774 844 H SER 586 H SER 586 -4.222 -6.596 -8.633 845 HA SER 586 HA SER 586 -5.975 -7.048 -7.266 846 HB2 SER 586 2HB SER 586 -7.244 -5.314 -9.368 847 HB3 SER 586 1HB SER 586 -8.215 -5.983 -8.058 848 HG SER 586 HG SER 586 -7.418 -3.951 -7.481 849 H GLY 587 H GLY 587 -7.928 -7.153 -10.220 850 HA2 GLY 587 2HA GLY 587 -8.505 -9.153 -11.406 851 HA3 GLY 587 1HA GLY 587 -8.137 -10.084 -9.964 852 H TYR 588 H TYR 588 -9.583 -8.452 -8.100 853 HA TYR 588 HA TYR 588 -12.278 -9.353 -8.785 854 HB2 TYR 588 2HB TYR 588 -12.684 -8.685 -6.309 855 HB3 TYR 588 1HB TYR 588 -11.725 -10.119 -6.655 856 HD1 TYR 588 1HD TYR 588 -11.186 -6.441 -6.190 857 HD2 TYR 588 2HD TYR 588 -9.790 -10.385 -5.411 858 HE1 TYR 588 1HE TYR 588 -9.350 -5.518 -4.841 859 HE2 TYR 588 2HE TYR 588 -7.952 -9.471 -4.059 860 HH TYR 588 HH TYR 588 -7.816 -6.770 -2.717 861 H VAL 589 H VAL 589 -10.965 -6.878 -9.856 862 HA VAL 589 HA VAL 589 -12.709 -4.780 -8.806 863 HB VAL 589 HB VAL 589 -11.399 -3.348 -10.520 864 HG11 VAL 589 1HG1 VAL 589 -9.477 -3.138 -8.952 865 HG12 VAL 589 2HG1 VAL 589 -10.067 -4.567 -8.107 866 HG13 VAL 589 3HG1 VAL 589 -11.051 -3.106 -8.158 867 HG21 VAL 589 3HG2 VAL 589 -10.496 -5.456 -11.664 868 HG22 VAL 589 1HG2 VAL 589 -9.382 -5.568 -10.303 869 HG23 VAL 589 2HG2 VAL 589 -9.355 -4.152 -11.351 870 HA PRO 590 HA PRO 590 -15.474 -5.725 -12.237 871 HB2 PRO 590 2HB PRO 590 -17.384 -3.871 -11.732 872 HB3 PRO 590 1HB PRO 590 -17.201 -5.339 -10.766 873 HG2 PRO 590 2HG PRO 590 -16.203 -2.575 -10.200 874 HG3 PRO 590 1HG PRO 590 -17.044 -3.696 -9.115 875 HD2 PRO 590 2HD PRO 590 -14.363 -3.388 -9.057 876 HD3 PRO 590 1HD PRO 590 -15.137 -4.949 -8.726 877 H GLU 591 H GLU 591 -13.335 -4.565 -13.232 878 HA GLU 591 HA GLU 591 -12.497 -3.212 -14.843 879 HB2 GLU 591 2HB GLU 591 -15.408 -3.338 -15.587 880 HB3 GLU 591 1HB GLU 591 -14.228 -2.510 -16.595 881 HG2 GLU 591 2HG GLU 591 -12.930 -4.654 -16.660 882 HG3 GLU 591 1HG GLU 591 -14.307 -5.426 -15.874 883 H GLU 592 H GLU 592 -15.594 -1.451 -14.648 884 HA GLU 592 HA GLU 592 -14.634 1.054 -14.983 885 HB2 GLU 592 2HB GLU 592 -16.952 0.208 -13.250 886 HB3 GLU 592 1HB GLU 592 -16.655 1.858 -13.777 887 HG2 GLU 592 2HG GLU 592 -16.794 1.050 -16.133 888 HG3 GLU 592 1HG GLU 592 -17.303 -0.515 -15.503 889 H ILE 593 H ILE 593 -14.449 -0.810 -12.056 890 HA ILE 593 HA ILE 593 -13.882 1.380 -10.318 891 HB ILE 593 HB ILE 593 -13.663 -1.597 -10.078 892 HG12 ILE 593 2HG1 ILE 593 -15.846 -0.362 -9.792 893 HG13 ILE 593 1HG1 ILE 593 -15.373 -1.367 -8.428 894 HG21 ILE 593 1HG2 ILE 593 -12.992 -1.174 -7.649 895 HG22 ILE 593 2HG2 ILE 593 -12.489 0.423 -8.197 896 HG23 ILE 593 3HG2 ILE 593 -11.737 -1.019 -8.877 897 HD11 ILE 593 3HD1 ILE 593 -14.450 0.752 -7.384 898 HD12 ILE 593 1HD1 ILE 593 -16.203 0.614 -7.505 899 HD13 ILE 593 2HD1 ILE 593 -15.316 1.621 -8.646 900 H TRP 594 H TRP 594 -11.966 -0.637 -12.426 901 HA TRP 594 HA TRP 594 -9.478 0.073 -11.179 902 HB2 TRP 594 2HB TRP 594 -9.715 -2.096 -12.302 903 HB3 TRP 594 1HB TRP 594 -9.972 -1.269 -13.838 904 HD1 TRP 594 HD TRP 594 -7.859 -0.182 -15.022 905 HE1 TRP 594 1HE TRP 594 -5.324 -0.453 -14.656 906 HE3 TRP 594 3HE TRP 594 -7.949 -2.529 -10.493 907 HZ2 TRP 594 2HZ TRP 594 -3.592 -1.545 -12.697 908 HZ3 TRP 594 3HZ TRP 594 -5.820 -3.157 -9.437 909 HH2 TRP 594 HH TRP 594 -3.690 -2.676 -10.516 910 H LYS 595 H LYS 595 -11.122 0.955 -14.208 911 HA LYS 595 HA LYS 595 -9.075 2.637 -15.132 912 HB2 LYS 595 2HB LYS 595 -10.959 3.777 -16.420 913 HB3 LYS 595 1HB LYS 595 -10.623 2.090 -16.758 914 HG2 LYS 595 2HG LYS 595 -12.543 1.355 -15.683 915 HG3 LYS 595 1HG LYS 595 -12.751 2.871 -14.805 916 HD2 LYS 595 2HD LYS 595 -12.848 2.793 -17.796 917 HD3 LYS 595 1HD LYS 595 -14.275 2.388 -16.839 918 HE2 LYS 595 2HE LYS 595 -14.015 4.596 -15.685 919 HE3 LYS 595 1HE LYS 595 -12.744 4.985 -16.842 920 HZ1 LYS 595 3HZ LYS 595 -14.224 5.254 -18.517 921 HZ2 LYS 595 1HZ LYS 595 -15.255 5.648 -17.235 922 HZ3 LYS 595 2HZ LYS 595 -15.310 4.103 -17.920 923 H LYS 596 H LYS 596 -11.876 3.304 -13.009 924 HA LYS 596 HA LYS 596 -11.400 6.081 -12.892 925 HB2 LYS 596 2HB LYS 596 -12.844 4.266 -10.955 926 HB3 LYS 596 1HB LYS 596 -12.922 6.020 -10.950 927 HG2 LYS 596 2HG LYS 596 -13.707 4.459 -13.382 928 HG3 LYS 596 1HG LYS 596 -14.836 4.677 -12.046 929 HD2 LYS 596 2HD LYS 596 -13.440 7.015 -13.327 930 HD3 LYS 596 1HD LYS 596 -14.924 6.346 -14.000 931 HE2 LYS 596 2HE LYS 596 -14.914 6.983 -11.098 932 HE3 LYS 596 1HE LYS 596 -14.926 8.336 -12.227 933 HZ1 LYS 596 3HZ LYS 596 -17.157 7.493 -11.504 934 HZ2 LYS 596 1HZ LYS 596 -16.851 6.090 -12.401 935 HZ3 LYS 596 2HZ LYS 596 -16.931 7.592 -13.177 936 H ALA 597 H ALA 597 -10.755 3.544 -10.402 937 HA ALA 597 HA ALA 597 -9.503 5.071 -8.533 938 HB1 ALA 597 1HB ALA 597 -8.545 2.324 -9.281 939 HB2 ALA 597 2HB ALA 597 -10.064 2.616 -8.433 940 HB3 ALA 597 3HB ALA 597 -8.536 3.089 -7.693 941 H GLU 598 H GLU 598 -8.192 3.878 -11.544 942 HA GLU 598 HA GLU 598 -5.468 4.447 -11.031 943 HB2 GLU 598 2HB GLU 598 -7.078 3.890 -13.491 944 HB3 GLU 598 1HB GLU 598 -5.456 4.542 -13.684 945 HG2 GLU 598 2HG GLU 598 -4.649 2.644 -12.241 946 HG3 GLU 598 1HG GLU 598 -6.267 1.958 -12.386 947 H GLU 599 H GLU 599 -8.115 6.393 -12.282 948 HA GLU 599 HA GLU 599 -6.540 8.575 -13.179 949 HB2 GLU 599 2HB GLU 599 -9.426 8.426 -12.293 950 HB3 GLU 599 1HB GLU 599 -8.692 9.883 -12.947 951 HG2 GLU 599 2HG GLU 599 -8.146 8.589 -15.008 952 HG3 GLU 599 1HG GLU 599 -9.090 7.255 -14.349 953 H ALA 600 H ALA 600 -8.217 7.936 -10.103 954 HA ALA 600 HA ALA 600 -7.741 10.291 -8.770 955 HB1 ALA 600 1HB ALA 600 -9.126 8.679 -7.757 956 HB2 ALA 600 2HB ALA 600 -7.737 8.864 -6.686 957 HB3 ALA 600 3HB ALA 600 -7.845 7.468 -7.760 958 H VAL 601 H VAL 601 -5.532 7.542 -9.123 959 HA VAL 601 HA VAL 601 -3.525 8.707 -7.441 960 HB VAL 601 HB VAL 601 -3.142 6.473 -9.433 961 HG11 VAL 601 1HG1 VAL 601 -1.045 7.340 -8.686 962 HG12 VAL 601 2HG1 VAL 601 -1.336 5.834 -7.820 963 HG13 VAL 601 3HG1 VAL 601 -1.594 7.378 -7.011 964 HG21 VAL 601 3HG2 VAL 601 -4.936 5.827 -8.009 965 HG22 VAL 601 1HG2 VAL 601 -4.103 6.439 -6.580 966 HG23 VAL 601 2HG2 VAL 601 -3.488 5.013 -7.418 967 H ASN 602 H ASN 602 -4.046 8.517 -10.925 968 HA ASN 602 HA ASN 602 -1.538 9.611 -11.678 969 HB2 ASN 602 2HB ASN 602 -3.128 8.355 -13.188 970 HB3 ASN 602 1HB ASN 602 -4.124 9.808 -13.234 971 HD21 ASN 602 1HD2 ASN 602 -1.071 8.390 -14.140 972 HD22 ASN 602 2HD2 ASN 602 -0.651 9.569 -15.331 973 H GLU 603 H GLU 603 -4.710 11.025 -11.037 974 HA GLU 603 HA GLU 603 -4.039 13.676 -11.763 975 HB2 GLU 603 2HB GLU 603 -6.364 12.756 -11.469 976 HB3 GLU 603 1HB GLU 603 -6.106 12.820 -9.731 977 HG2 GLU 603 2HG GLU 603 -5.923 15.193 -9.769 978 HG3 GLU 603 1HG GLU 603 -5.895 15.219 -11.531 979 H VAL 604 H VAL 604 -4.338 12.215 -8.486 980 HA VAL 604 HA VAL 604 -3.322 14.456 -7.160 981 HB VAL 604 HB VAL 604 -4.588 12.643 -6.042 982 HG11 VAL 604 1HG1 VAL 604 -3.722 10.563 -5.569 983 HG12 VAL 604 2HG1 VAL 604 -2.050 11.095 -5.756 984 HG13 VAL 604 3HG1 VAL 604 -3.062 10.851 -7.179 985 HG21 VAL 604 3HG2 VAL 604 -1.932 13.094 -4.705 986 HG22 VAL 604 1HG2 VAL 604 -3.517 12.922 -3.964 987 HG23 VAL 604 2HG2 VAL 604 -3.138 14.370 -4.880 988 H LYS 605 H LYS 605 -1.733 11.880 -8.812 989 HA LYS 605 HA LYS 605 0.847 12.203 -7.614 990 HB2 LYS 605 2HB LYS 605 0.297 10.102 -8.651 991 HB3 LYS 605 1HB LYS 605 -0.072 10.889 -10.177 992 HG2 LYS 605 2HG LYS 605 2.559 11.605 -9.748 993 HG3 LYS 605 1HG LYS 605 2.481 9.972 -9.096 994 HD2 LYS 605 2HD LYS 605 1.512 10.746 -11.844 995 HD3 LYS 605 1HD LYS 605 3.109 10.079 -11.501 996 HE2 LYS 605 2HE LYS 605 2.082 8.061 -10.595 997 HE3 LYS 605 1HE LYS 605 0.480 8.727 -10.903 998 HZ1 LYS 605 3HZ LYS 605 2.272 8.626 -13.186 999 HZ2 LYS 605 1HZ LYS 605 0.619 8.281 -13.090 1000 HZ3 LYS 605 2HZ LYS 605 1.753 7.128 -12.598 1001 H ARG 606 H ARG 606 -0.598 13.232 -10.695 1002 HA ARG 606 HA ARG 606 1.672 14.689 -11.563 1003 HB2 ARG 606 2HB ARG 606 -0.804 14.004 -12.668 1004 HB3 ARG 606 1HB ARG 606 -0.857 15.756 -12.567 1005 HG2 ARG 606 2HG ARG 606 1.450 15.682 -13.705 1006 HG3 ARG 606 1HG ARG 606 1.038 14.013 -14.099 1007 HD2 ARG 606 2HD ARG 606 0.313 15.169 -15.973 1008 HD3 ARG 606 1HD ARG 606 -1.163 15.030 -15.019 1009 HE ARG 606 HE ARG 606 -0.016 17.419 -14.277 1010 HH11 ARG 606 1HH1 ARG 606 -1.198 16.001 -17.241 1011 HH12 ARG 606 2HH1 ARG 606 -1.632 17.525 -17.941 1012 HH21 ARG 606 1HH2 ARG 606 -0.587 19.420 -15.197 1013 HH22 ARG 606 2HH2 ARG 606 -1.285 19.465 -16.781 1014 H GLN 607 H GLN 607 -0.869 15.365 -9.321 1015 HA GLN 607 HA GLN 607 -0.561 18.224 -9.385 1016 HB2 GLN 607 2HB GLN 607 -2.121 16.308 -7.694 1017 HB3 GLN 607 1HB GLN 607 -1.952 17.983 -7.190 1018 HG2 GLN 607 2HG GLN 607 -2.861 18.656 -9.418 1019 HG3 GLN 607 1HG GLN 607 -3.209 16.955 -9.718 1020 HE21 GLN 607 1HE2 GLN 607 -4.625 15.874 -8.169 1021 HE22 GLN 607 2HE2 GLN 607 -5.894 16.783 -7.428 1022 H ALA 608 H ALA 608 0.165 15.803 -6.784 1023 HA ALA 608 HA ALA 608 1.377 17.428 -4.972 1024 HB1 ALA 608 1HB ALA 608 0.960 15.116 -4.510 1025 HB2 ALA 608 2HB ALA 608 2.679 15.436 -4.283 1026 HB3 ALA 608 3HB ALA 608 2.120 14.617 -5.741 1027 H MET 609 H MET 609 2.694 16.317 -7.996 1028 HA MET 609 HA MET 609 5.414 16.922 -7.471 1029 HB2 MET 609 2HB MET 609 5.843 16.429 -9.674 1030 HB3 MET 609 1HB MET 609 4.294 15.620 -9.478 1031 HG2 MET 609 2HG MET 609 3.294 17.839 -10.352 1032 HG3 MET 609 1HG MET 609 4.929 18.166 -10.918 1033 HE1 MET 609 3HE MET 609 3.758 18.547 -13.111 1034 HE2 MET 609 1HE MET 609 3.647 17.270 -14.323 1035 HE3 MET 609 2HE MET 609 5.212 17.698 -13.633 1036 H THR 610 H THR 610 2.706 18.886 -8.516 1037 HA THR 610 HA THR 610 4.213 21.174 -9.283 1038 HB THR 610 HB THR 610 1.338 20.764 -8.472 1039 HG1 THR 610 1HG THR 610 1.921 20.101 -10.549 1040 HG21 THR 610 3HG2 THR 610 0.937 23.084 -9.340 1041 HG22 THR 610 1HG2 THR 610 2.670 23.360 -9.160 1042 HG23 THR 610 2HG2 THR 610 1.685 22.977 -7.746 1043 H GLU 611 H GLU 611 2.698 20.127 -6.272 1044 HA GLU 611 HA GLU 611 3.191 22.432 -4.750 1045 HB2 GLU 611 2HB GLU 611 2.904 19.528 -4.021 1046 HB3 GLU 611 1HB GLU 611 3.196 20.753 -2.794 1047 HG2 GLU 611 2HG GLU 611 0.898 20.861 -4.727 1048 HG3 GLU 611 1HG GLU 611 0.803 20.103 -3.138 1049 H LEU 612 H LEU 612 5.250 19.934 -5.850 1050 HA LEU 612 HA LEU 612 7.433 20.618 -4.045 1051 HB2 LEU 612 2HB LEU 612 6.700 18.274 -5.247 1052 HB3 LEU 612 1HB LEU 612 8.010 18.796 -6.286 1053 HG LEU 612 HG LEU 612 8.419 18.751 -3.314 1054 HD11 LEU 612 1HD1 LEU 612 9.299 16.408 -3.593 1055 HD12 LEU 612 2HD1 LEU 612 8.434 16.357 -5.129 1056 HD13 LEU 612 3HD1 LEU 612 7.544 16.586 -3.623 1057 HD21 LEU 612 3HD2 LEU 612 10.556 19.115 -3.824 1058 HD22 LEU 612 1HD2 LEU 612 10.033 19.424 -5.477 1059 HD23 LEU 612 2HD2 LEU 612 10.582 17.815 -5.013 1060 H GLN 613 H GLN 613 6.596 20.945 -7.446 1061 HA GLN 613 HA GLN 613 9.121 22.047 -8.206 1062 HB2 GLN 613 2HB GLN 613 6.448 21.869 -9.583 1063 HB3 GLN 613 1HB GLN 613 7.836 22.660 -10.321 1064 HG2 GLN 613 2HG GLN 613 9.081 20.633 -10.341 1065 HG3 GLN 613 1HG GLN 613 7.868 19.812 -9.360 1066 HE21 GLN 613 1HE2 GLN 613 7.708 18.204 -10.963 1067 HE22 GLN 613 2HE2 GLN 613 6.824 18.478 -12.421 1068 H LYS 614 H LYS 614 6.636 23.374 -6.400 1069 HA LYS 614 HA LYS 614 7.781 25.972 -6.549 1070 HB2 LYS 614 2HB LYS 614 6.030 27.232 -7.577 1071 HB3 LYS 614 1HB LYS 614 6.492 25.949 -8.683 1072 HG2 LYS 614 2HG LYS 614 4.535 24.651 -7.989 1073 HG3 LYS 614 1HG LYS 614 4.065 25.952 -6.896 1074 HD2 LYS 614 2HD LYS 614 4.169 27.433 -9.037 1075 HD3 LYS 614 1HD LYS 614 4.061 25.895 -9.893 1076 HE2 LYS 614 2HE LYS 614 1.841 26.609 -9.710 1077 HE3 LYS 614 1HE LYS 614 2.020 25.431 -8.412 1078 HZ1 LYS 614 3HZ LYS 614 2.020 27.070 -6.806 1079 HZ2 LYS 614 1HZ LYS 614 0.892 27.671 -7.917 1080 HZ3 LYS 614 2HZ LYS 614 2.463 28.296 -7.885 1081 H ALA 615 H ALA 615 6.979 24.052 -4.508 1082 HA ALA 615 HA ALA 615 5.806 25.921 -2.699 1083 HB1 ALA 615 1HB ALA 615 4.064 23.562 -2.673 1084 HB2 ALA 615 2HB ALA 615 3.924 24.542 -4.132 1085 HB3 ALA 615 3HB ALA 615 3.662 25.274 -2.551 Start of MODEL 6 1 H1 GLY -7 1HT GLY -7 -8.833 -6.284 -14.744 2 H2 GLY -7 2HT GLY -7 -9.008 -7.432 -15.974 3 H3 GLY -7 3HT GLY -7 -9.353 -7.850 -14.372 4 HA2 GLY -7 1HA GLY -7 -11.468 -7.471 -14.966 5 HA3 GLY -7 2HA GLY -7 -11.013 -5.804 -14.645 6 H ALA -6 H ALA -6 -9.689 -4.913 -16.696 7 HA ALA -6 HA ALA -6 -9.768 -4.199 -18.849 8 HB1 ALA -6 1HB ALA -6 -11.392 -6.606 -19.610 9 HB2 ALA -6 2HB ALA -6 -9.670 -6.728 -19.257 10 HB3 ALA -6 3HB ALA -6 -10.228 -5.699 -20.575 11 H MET -5 H MET -5 -12.922 -5.839 -18.394 12 HA MET -5 HA MET -5 -14.324 -3.323 -18.339 13 HB2 MET -5 2HB MET -5 -14.595 -5.171 -20.718 14 HB3 MET -5 1HB MET -5 -15.752 -3.905 -20.329 15 HG2 MET -5 2HG MET -5 -13.789 -2.294 -20.447 16 HG3 MET -5 1HG MET -5 -12.894 -3.617 -21.192 17 HE1 MET -5 3HE MET -5 -15.580 -4.933 -22.850 18 HE2 MET -5 1HE MET -5 -13.861 -4.959 -23.249 19 HE3 MET -5 2HE MET -5 -15.026 -4.310 -24.404 20 H GLY -4 H GLY -4 -16.485 -3.539 -17.658 21 HA2 GLY -4 2HA GLY -4 -17.729 -6.104 -17.390 22 HA3 GLY -4 1HA GLY -4 -17.064 -5.539 -15.866 23 H SER -3 H SER -3 -17.968 -3.708 -14.860 24 HA SER -3 HA SER -3 -20.739 -3.459 -15.052 25 HB2 SER -3 2HB SER -3 -18.718 -1.557 -13.844 26 HB3 SER -3 1HB SER -3 -20.460 -1.458 -13.590 27 HG SER -3 HG SER -3 -20.410 -3.382 -12.509 28 H MET -2 H MET -2 -21.942 -1.404 -15.467 29 HA MET -2 HA MET -2 -21.314 -0.466 -18.124 30 HB2 MET -2 2HB MET -2 -23.627 -0.105 -16.240 31 HB3 MET -2 1HB MET -2 -23.487 0.903 -17.675 32 HG2 MET -2 2HG MET -2 -23.442 -2.098 -17.781 33 HG3 MET -2 1HG MET -2 -24.927 -1.154 -17.877 34 HE1 MET -2 3HE MET -2 -23.148 -2.628 -21.437 35 HE2 MET -2 1HE MET -2 -24.096 -3.237 -20.081 36 HE3 MET -2 2HE MET -2 -22.366 -2.951 -19.890 37 H SER -1 H SER -1 -22.469 1.497 -15.392 38 HA SER -1 HA SER -1 -20.132 3.134 -15.297 39 HB2 SER -1 2HB SER -1 -22.588 4.235 -16.677 40 HB3 SER -1 1HB SER -1 -21.242 5.224 -16.111 41 HG SER -1 HG SER -1 -21.284 3.298 -18.171 42 H HIS 2 H HIS 2 -20.435 2.545 -13.091 43 HA HIS 2 HA HIS 2 -22.341 4.301 -11.706 44 HB2 HIS 2 2HB HIS 2 -23.048 2.588 -10.203 45 HB3 HIS 2 1HB HIS 2 -23.234 1.946 -11.830 46 HD1 HIS 2 1HD HIS 2 -22.389 0.720 -8.740 47 HD2 HIS 2 2HD HIS 2 -20.424 0.573 -12.398 48 HE1 HIS 2 1HE HIS 2 -20.820 -1.238 -8.583 49 HE2 HIS 2 2HE HIS 2 -19.591 -1.263 -10.782 50 H ILE 3 H ILE 3 -19.825 5.051 -12.058 51 HA ILE 3 HA ILE 3 -18.623 4.778 -9.381 52 HB ILE 3 HB ILE 3 -16.892 5.051 -11.831 53 HG12 ILE 3 2HG1 ILE 3 -18.200 2.980 -12.134 54 HG13 ILE 3 1HG1 ILE 3 -16.500 2.644 -11.833 55 HG21 ILE 3 1HG2 ILE 3 -16.408 4.106 -9.014 56 HG22 ILE 3 2HG2 ILE 3 -15.822 5.591 -9.764 57 HG23 ILE 3 3HG2 ILE 3 -15.211 4.029 -10.305 58 HD11 ILE 3 3HD1 ILE 3 -17.720 2.607 -9.316 59 HD12 ILE 3 1HD1 ILE 3 -17.132 1.238 -10.259 60 HD13 ILE 3 2HD1 ILE 3 -18.809 1.750 -10.403 61 H GLN 4 H GLN 4 -17.341 6.644 -8.728 62 HA GLN 4 HA GLN 4 -17.404 8.990 -10.402 63 HB2 GLN 4 2HB GLN 4 -19.695 8.695 -9.149 64 HB3 GLN 4 1HB GLN 4 -18.801 9.325 -7.771 65 HG2 GLN 4 2HG GLN 4 -18.137 11.252 -9.301 66 HG3 GLN 4 1HG GLN 4 -19.395 10.663 -10.387 67 HE21 GLN 4 1HE2 GLN 4 -18.723 12.072 -7.271 68 HE22 GLN 4 2HE2 GLN 4 -20.331 12.613 -6.946 69 H ILE 5 H ILE 5 -15.361 9.648 -10.170 70 HA ILE 5 HA ILE 5 -13.794 9.213 -7.856 71 HB ILE 5 HB ILE 5 -13.319 11.224 -10.063 72 HG12 ILE 5 2HG1 ILE 5 -13.546 9.009 -11.020 73 HG13 ILE 5 1HG1 ILE 5 -11.845 9.460 -11.024 74 HG21 ILE 5 1HG2 ILE 5 -11.502 10.048 -7.972 75 HG22 ILE 5 2HG2 ILE 5 -11.920 11.744 -8.212 76 HG23 ILE 5 3HG2 ILE 5 -10.920 10.906 -9.398 77 HD11 ILE 5 3HD1 ILE 5 -13.257 7.412 -9.388 78 HD12 ILE 5 1HD1 ILE 5 -11.779 8.152 -8.774 79 HD13 ILE 5 2HD1 ILE 5 -11.759 7.286 -10.310 80 HA PRO 6 HA PRO 6 -15.542 12.782 -5.689 81 HB2 PRO 6 2HB PRO 6 -14.621 12.241 -3.231 82 HB3 PRO 6 1HB PRO 6 -15.913 11.279 -3.961 83 HG2 PRO 6 2HG PRO 6 -12.990 10.665 -3.748 84 HG3 PRO 6 1HG PRO 6 -14.379 9.600 -3.460 85 HD2 PRO 6 2HD PRO 6 -12.934 9.640 -5.797 86 HD3 PRO 6 1HD PRO 6 -14.629 9.129 -5.691 87 HA PRO 7 HA PRO 7 -11.878 15.352 -5.724 88 HB2 PRO 7 2HB PRO 7 -12.961 17.729 -5.235 89 HB3 PRO 7 1HB PRO 7 -13.404 16.836 -6.697 90 HG2 PRO 7 2HG PRO 7 -14.889 17.055 -4.100 91 HG3 PRO 7 1HG PRO 7 -15.512 17.197 -5.755 92 HD2 PRO 7 2HD PRO 7 -15.639 14.889 -4.238 93 HD3 PRO 7 1HD PRO 7 -15.674 14.929 -6.013 94 H GLY 8 H GLY 8 -12.427 13.892 -3.253 95 HA2 GLY 8 2HA GLY 8 -11.353 15.853 -1.308 96 HA3 GLY 8 1HA GLY 8 -12.499 14.601 -0.848 97 H LEU 9 H LEU 9 -11.429 12.481 -2.362 98 HA LEU 9 HA LEU 9 -9.449 11.554 -0.577 99 HB2 LEU 9 2HB LEU 9 -10.963 10.078 -1.830 100 HB3 LEU 9 1HB LEU 9 -10.138 10.505 -3.317 101 HG LEU 9 HG LEU 9 -8.181 9.585 -1.430 102 HD11 LEU 9 1HD1 LEU 9 -10.686 8.060 -1.366 103 HD12 LEU 9 2HD1 LEU 9 -9.341 8.104 -0.233 104 HD13 LEU 9 3HD1 LEU 9 -9.240 7.105 -1.678 105 HD21 LEU 9 3HD2 LEU 9 -7.838 9.557 -3.800 106 HD22 LEU 9 1HD2 LEU 9 -9.214 8.479 -4.034 107 HD23 LEU 9 2HD2 LEU 9 -7.770 7.900 -3.201 108 H THR 10 H THR 10 -9.273 13.343 -3.537 109 HA THR 10 HA THR 10 -6.649 12.750 -4.318 110 HB THR 10 HB THR 10 -7.906 15.464 -4.672 111 HG1 THR 10 1HG THR 10 -9.575 14.248 -5.280 112 HG21 THR 10 3HG2 THR 10 -6.417 13.782 -6.664 113 HG22 THR 10 1HG2 THR 10 -5.642 14.980 -5.626 114 HG23 THR 10 2HG2 THR 10 -6.865 15.483 -6.792 115 H GLU 11 H GLU 11 -7.930 15.245 -2.147 116 HA GLU 11 HA GLU 11 -5.456 16.503 -1.643 117 HB2 GLU 11 2HB GLU 11 -8.020 17.123 -1.061 118 HB3 GLU 11 1HB GLU 11 -7.510 16.519 0.509 119 HG2 GLU 11 2HG GLU 11 -6.219 18.751 -1.044 120 HG3 GLU 11 1HG GLU 11 -7.253 18.923 0.372 121 H LEU 12 H LEU 12 -6.971 13.654 -0.317 122 HA LEU 12 HA LEU 12 -5.313 13.490 2.006 123 HB2 LEU 12 2HB LEU 12 -7.306 11.731 0.672 124 HB3 LEU 12 1HB LEU 12 -6.164 10.967 1.759 125 HG LEU 12 HG LEU 12 -8.331 11.552 2.824 126 HD11 LEU 12 1HD1 LEU 12 -6.061 11.437 4.023 127 HD12 LEU 12 2HD1 LEU 12 -7.407 12.210 4.858 128 HD13 LEU 12 3HD1 LEU 12 -6.165 13.195 4.090 129 HD21 LEU 12 3HD2 LEU 12 -7.419 14.397 2.416 130 HD22 LEU 12 1HD2 LEU 12 -8.838 13.874 3.323 131 HD23 LEU 12 2HD2 LEU 12 -8.763 13.617 1.581 132 H LEU 13 H LEU 13 -5.204 12.095 -1.237 133 HA LEU 13 HA LEU 13 -2.962 10.406 -0.701 134 HB2 LEU 13 2HB LEU 13 -4.546 11.198 -3.089 135 HB3 LEU 13 1HB LEU 13 -2.927 10.593 -3.379 136 HG LEU 13 HG LEU 13 -3.449 8.474 -2.427 137 HD11 LEU 13 1HD1 LEU 13 -5.858 8.091 -1.601 138 HD12 LEU 13 2HD1 LEU 13 -5.908 9.842 -1.407 139 HD13 LEU 13 3HD1 LEU 13 -4.714 8.893 -0.525 140 HD21 LEU 13 3HD2 LEU 13 -5.514 7.832 -3.791 141 HD22 LEU 13 1HD2 LEU 13 -4.158 8.537 -4.667 142 HD23 LEU 13 2HD2 LEU 13 -5.571 9.523 -4.290 143 H GLN 14 H GLN 14 -3.366 13.665 -1.984 144 HA GLN 14 HA GLN 14 -0.787 14.025 -3.002 145 HB2 GLN 14 2HB GLN 14 -2.957 15.540 -3.095 146 HB3 GLN 14 1HB GLN 14 -2.195 16.329 -1.724 147 HG2 GLN 14 2HG GLN 14 -0.111 16.215 -3.456 148 HG3 GLN 14 1HG GLN 14 -1.461 16.354 -4.577 149 HE21 GLN 14 1HE2 GLN 14 -1.774 18.379 -5.163 150 HE22 GLN 14 2HE2 GLN 14 -1.605 19.774 -4.161 151 H GLY 15 H GLY 15 -2.062 14.616 0.253 152 HA2 GLY 15 2HA GLY 15 0.158 15.859 1.378 153 HA3 GLY 15 1HA GLY 15 -0.954 14.820 2.261 154 H TYR 16 H TYR 16 -0.536 12.409 1.026 155 HA TYR 16 HA TYR 16 1.905 11.559 2.248 156 HB2 TYR 16 2HB TYR 16 0.035 10.050 2.271 157 HB3 TYR 16 1HB TYR 16 -0.124 10.129 0.521 158 HD1 TYR 16 2HD TYR 16 1.405 8.898 -0.924 159 HD2 TYR 16 1HD TYR 16 1.744 8.666 3.310 160 HE1 TYR 16 2HE TYR 16 2.848 6.922 -1.155 161 HE2 TYR 16 1HE TYR 16 3.197 6.692 3.091 162 HH TYR 16 HH TYR 16 4.806 5.861 0.600 163 H THR 17 H THR 17 0.759 11.774 -1.104 164 HA THR 17 HA THR 17 3.010 10.803 -2.401 165 HB THR 17 HB THR 17 1.190 12.982 -3.424 166 HG1 THR 17 1HG THR 17 -0.089 11.258 -4.181 167 HG21 THR 17 3HG2 THR 17 2.016 12.663 -5.470 168 HG22 THR 17 1HG2 THR 17 1.978 10.908 -5.291 169 HG23 THR 17 2HG2 THR 17 3.357 11.827 -4.689 170 H VAL 18 H VAL 18 2.166 14.246 -1.981 171 HA VAL 18 HA VAL 18 4.477 15.343 -3.015 172 HB VAL 18 HB VAL 18 2.325 16.519 -2.298 173 HG11 VAL 18 1HG1 VAL 18 3.755 16.932 0.313 174 HG12 VAL 18 2HG1 VAL 18 2.537 15.676 0.098 175 HG13 VAL 18 3HG1 VAL 18 2.104 17.372 -0.120 176 HG21 VAL 18 3HG2 VAL 18 4.935 17.849 -1.583 177 HG22 VAL 18 1HG2 VAL 18 3.434 18.652 -2.049 178 HG23 VAL 18 2HG2 VAL 18 4.306 17.662 -3.221 179 H GLU 19 H GLU 19 3.990 13.883 0.130 180 HA GLU 19 HA GLU 19 6.387 15.016 1.255 181 HB2 GLU 19 2HB GLU 19 4.302 14.227 2.543 182 HB3 GLU 19 1HB GLU 19 4.961 12.606 2.358 183 HG2 GLU 19 2HG GLU 19 6.888 13.142 3.617 184 HG3 GLU 19 1HG GLU 19 6.535 14.865 3.560 185 H VAL 20 H VAL 20 5.466 11.906 -0.163 186 HA VAL 20 HA VAL 20 7.841 10.523 0.394 187 HB VAL 20 HB VAL 20 5.839 10.202 -1.843 188 HG11 VAL 20 1HG1 VAL 20 7.548 9.136 -2.908 189 HG12 VAL 20 2HG1 VAL 20 7.057 7.814 -1.851 190 HG13 VAL 20 3HG1 VAL 20 8.434 8.822 -1.418 191 HG21 VAL 20 3HG2 VAL 20 6.368 8.417 0.524 192 HG22 VAL 20 1HG2 VAL 20 4.994 8.378 -0.580 193 HG23 VAL 20 2HG2 VAL 20 5.186 9.724 0.543 194 H LEU 21 H LEU 21 6.966 12.699 -2.226 195 HA LEU 21 HA LEU 21 9.343 12.251 -3.756 196 HB2 LEU 21 2HB LEU 21 7.160 14.317 -3.791 197 HB3 LEU 21 1HB LEU 21 8.575 14.496 -4.809 198 HG LEU 21 HG LEU 21 7.979 12.746 -6.200 199 HD11 LEU 21 1HD1 LEU 21 6.319 10.996 -5.610 200 HD12 LEU 21 2HD1 LEU 21 6.268 11.653 -3.977 201 HD13 LEU 21 3HD1 LEU 21 7.766 10.971 -4.607 202 HD21 LEU 21 3HD2 LEU 21 5.881 13.258 -6.993 203 HD22 LEU 21 1HD2 LEU 21 6.222 14.678 -6.005 204 HD23 LEU 21 2HD2 LEU 21 5.182 13.400 -5.381 205 H ARG 22 H ARG 22 8.357 14.521 -1.250 206 HA ARG 22 HA ARG 22 10.745 16.127 -1.517 207 HB2 ARG 22 2HB ARG 22 8.476 16.134 0.465 208 HB3 ARG 22 1HB ARG 22 9.844 17.233 0.575 209 HG2 ARG 22 2HG ARG 22 9.301 18.154 -1.608 210 HG3 ARG 22 1HG ARG 22 7.948 17.035 -1.753 211 HD2 ARG 22 2HD ARG 22 8.281 19.225 0.286 212 HD3 ARG 22 1HD ARG 22 7.136 19.196 -1.054 213 HE ARG 22 HE ARG 22 6.535 16.964 0.382 214 HH11 ARG 22 1HH1 ARG 22 6.764 20.368 1.135 215 HH12 ARG 22 2HH1 ARG 22 5.601 20.287 2.413 216 HH21 ARG 22 1HH2 ARG 22 5.008 16.862 2.064 217 HH22 ARG 22 2HH2 ARG 22 4.603 18.301 2.939 218 H GLN 23 H GLN 23 9.794 13.338 0.326 219 HA GLN 23 HA GLN 23 12.223 13.614 1.990 220 HB2 GLN 23 2HB GLN 23 9.939 13.555 3.128 221 HB3 GLN 23 1HB GLN 23 9.863 11.864 2.652 222 HG2 GLN 23 2HG GLN 23 11.926 11.428 3.897 223 HG3 GLN 23 1HG GLN 23 11.975 13.119 4.391 224 HE21 GLN 23 1HE2 GLN 23 9.630 13.784 5.241 225 HE22 GLN 23 2HE2 GLN 23 9.043 12.748 6.493 226 H GLN 24 H GLN 24 10.193 11.173 0.371 227 HA GLN 24 HA GLN 24 10.718 9.217 -0.661 228 HB2 GLN 24 2HB GLN 24 13.622 10.017 -0.523 229 HB3 GLN 24 1HB GLN 24 12.855 8.926 -1.666 230 HG2 GLN 24 2HG GLN 24 11.607 10.809 -2.615 231 HG3 GLN 24 1HG GLN 24 12.418 11.898 -1.490 232 HE21 GLN 24 1HE2 GLN 24 13.349 13.097 -3.135 233 HE22 GLN 24 2HE2 GLN 24 14.650 12.495 -4.098 234 HA PRO 25 HA PRO 25 11.966 7.196 3.240 235 HB2 PRO 25 2HB PRO 25 9.809 5.705 3.629 236 HB3 PRO 25 1HB PRO 25 9.724 7.457 3.855 237 HG2 PRO 25 2HG PRO 25 8.823 5.805 1.524 238 HG3 PRO 25 1HG PRO 25 8.007 7.169 2.307 239 HD2 PRO 25 2HD PRO 25 9.549 7.334 -0.003 240 HD3 PRO 25 1HD PRO 25 9.143 8.701 1.053 241 HA PRO 26 HA PRO 26 13.473 3.343 1.659 242 HB2 PRO 26 2HB PRO 26 12.727 1.880 4.099 243 HB3 PRO 26 1HB PRO 26 14.334 2.279 3.484 244 HG2 PRO 26 2HG PRO 26 13.306 3.451 5.685 245 HG3 PRO 26 1HG PRO 26 14.392 4.308 4.574 246 HD2 PRO 26 2HD PRO 26 11.404 4.451 4.790 247 HD3 PRO 26 1HD PRO 26 12.584 5.759 4.566 248 H ASP 27 H ASP 27 10.346 3.142 3.308 249 HA ASP 27 HA ASP 27 9.432 1.253 1.244 250 HB2 ASP 27 2HB ASP 27 8.027 0.174 3.085 251 HB3 ASP 27 1HB ASP 27 9.754 -0.171 3.107 252 H LEU 28 H LEU 28 7.521 1.719 0.362 253 HA LEU 28 HA LEU 28 6.247 4.193 1.102 254 HB2 LEU 28 2HB LEU 28 5.685 2.176 -1.067 255 HB3 LEU 28 1HB LEU 28 4.730 3.627 -0.836 256 HG LEU 28 HG LEU 28 6.826 4.970 -1.179 257 HD11 LEU 28 1HD1 LEU 28 8.619 3.675 -2.482 258 HD12 LEU 28 2HD1 LEU 28 7.923 2.234 -1.743 259 HD13 LEU 28 3HD1 LEU 28 8.590 3.512 -0.727 260 HD21 LEU 28 3HD2 LEU 28 6.878 4.568 -3.650 261 HD22 LEU 28 1HD2 LEU 28 5.266 4.796 -2.973 262 HD23 LEU 28 2HD2 LEU 28 5.828 3.176 -3.384 263 H VAL 29 H VAL 29 5.737 0.820 1.661 264 HA VAL 29 HA VAL 29 2.948 0.925 2.218 265 HB VAL 29 HB VAL 29 4.870 -1.084 3.392 266 HG11 VAL 29 1HG1 VAL 29 3.061 -2.339 3.902 267 HG12 VAL 29 2HG1 VAL 29 2.212 -1.913 2.416 268 HG13 VAL 29 3HG1 VAL 29 2.192 -0.810 3.789 269 HG21 VAL 29 3HG2 VAL 29 4.237 -2.434 1.284 270 HG22 VAL 29 1HG2 VAL 29 5.478 -1.190 1.144 271 HG23 VAL 29 2HG2 VAL 29 3.840 -0.868 0.581 272 H GLU 30 H GLU 30 5.821 0.857 4.320 273 HA GLU 30 HA GLU 30 4.362 1.147 6.734 274 HB2 GLU 30 2HB GLU 30 6.743 0.254 6.411 275 HB3 GLU 30 1HB GLU 30 7.243 1.938 6.357 276 HG2 GLU 30 2HG GLU 30 6.148 2.228 8.597 277 HG3 GLU 30 1HG GLU 30 5.949 0.477 8.640 278 H PHE 31 H PHE 31 6.242 3.465 4.790 279 HA PHE 31 HA PHE 31 6.002 5.701 6.348 280 HB2 PHE 31 2HB PHE 31 7.235 5.459 4.152 281 HB3 PHE 31 1HB PHE 31 5.700 5.798 3.356 282 HD1 PHE 31 2HD PHE 31 8.088 7.168 5.846 283 HD2 PHE 31 1HD PHE 31 5.036 8.004 3.007 284 HE1 PHE 31 2HE PHE 31 8.508 9.576 6.113 285 HE2 PHE 31 1HE PHE 31 5.448 10.418 3.266 286 HZ PHE 31 HZ PHE 31 7.189 11.204 4.823 287 H ALA 32 H ALA 32 3.483 4.140 4.558 288 HA ALA 32 HA ALA 32 1.697 6.379 4.530 289 HB1 ALA 32 1HB ALA 32 1.265 3.447 4.037 290 HB2 ALA 32 2HB ALA 32 1.461 4.730 2.840 291 HB3 ALA 32 3HB ALA 32 0.014 4.677 3.848 292 H VAL 33 H VAL 33 2.146 3.585 6.661 293 HA VAL 33 HA VAL 33 -0.174 4.081 8.245 294 HB VAL 33 HB VAL 33 2.386 2.611 8.928 295 HG11 VAL 33 1HG1 VAL 33 1.337 3.219 10.982 296 HG12 VAL 33 2HG1 VAL 33 0.987 1.517 10.689 297 HG13 VAL 33 3HG1 VAL 33 -0.249 2.735 10.380 298 HG21 VAL 33 3HG2 VAL 33 1.201 1.617 7.055 299 HG22 VAL 33 1HG2 VAL 33 -0.294 1.592 7.991 300 HG23 VAL 33 2HG2 VAL 33 1.069 0.587 8.481 301 H GLU 34 H GLU 34 3.311 4.659 8.930 302 HA GLU 34 HA GLU 34 2.925 6.148 11.238 303 HB2 GLU 34 2HB GLU 34 5.157 7.243 10.617 304 HB3 GLU 34 1HB GLU 34 5.134 5.496 10.808 305 HG2 GLU 34 2HG GLU 34 5.350 5.108 8.535 306 HG3 GLU 34 1HG GLU 34 4.774 6.718 8.105 307 H TYR 35 H TYR 35 2.592 7.112 7.892 308 HA TYR 35 HA TYR 35 2.481 9.935 8.456 309 HB2 TYR 35 2HB TYR 35 3.264 9.196 6.277 310 HB3 TYR 35 1HB TYR 35 1.737 8.377 5.971 311 HD1 TYR 35 2HD TYR 35 -0.385 9.836 5.869 312 HD2 TYR 35 1HD TYR 35 3.554 11.430 5.621 313 HE1 TYR 35 2HE TYR 35 -1.283 11.889 4.862 314 HE2 TYR 35 1HE TYR 35 2.660 13.488 4.603 315 HH TYR 35 HH TYR 35 0.548 14.724 4.532 316 H PHE 36 H PHE 36 0.067 7.414 7.702 317 HA PHE 36 HA PHE 36 -2.114 9.278 7.874 318 HB2 PHE 36 2HB PHE 36 -1.833 6.369 7.365 319 HB3 PHE 36 1HB PHE 36 -3.358 6.877 8.074 320 HD1 PHE 36 1HD PHE 36 -4.760 8.565 6.897 321 HD2 PHE 36 2HD PHE 36 -1.362 6.769 5.069 322 HE1 PHE 36 1HE PHE 36 -5.587 9.254 4.686 323 HE2 PHE 36 2HE PHE 36 -2.184 7.457 2.856 324 HZ PHE 36 HZ PHE 36 -4.298 8.701 2.662 325 H THR 37 H THR 37 -0.747 6.827 10.039 326 HA THR 37 HA THR 37 -2.699 6.937 12.028 327 HB THR 37 HB THR 37 -0.899 6.128 13.567 328 HG1 THR 37 1HG THR 37 0.692 6.614 11.282 329 HG21 THR 37 3HG2 THR 37 -2.054 4.440 12.392 330 HG22 THR 37 1HG2 THR 37 -0.336 4.067 12.283 331 HG23 THR 37 2HG2 THR 37 -1.173 4.780 10.904 332 H ARG 38 H ARG 38 0.411 8.721 11.932 333 HA ARG 38 HA ARG 38 0.032 10.209 14.243 334 HB2 ARG 38 2HB ARG 38 1.641 11.813 13.333 335 HB3 ARG 38 1HB ARG 38 2.161 10.162 13.042 336 HG2 ARG 38 2HG ARG 38 2.585 10.954 10.979 337 HG3 ARG 38 1HG ARG 38 0.873 10.625 10.734 338 HD2 ARG 38 2HD ARG 38 0.442 13.014 11.450 339 HD3 ARG 38 1HD ARG 38 2.184 13.262 11.363 340 HE ARG 38 HE ARG 38 1.401 12.176 8.936 341 HH11 ARG 38 1HH1 ARG 38 0.797 15.075 10.780 342 HH12 ARG 38 2HH1 ARG 38 0.521 16.057 9.381 343 HH21 ARG 38 1HH2 ARG 38 1.038 13.466 7.095 344 HH22 ARG 38 2HH2 ARG 38 0.656 15.145 7.289 345 H LEU 39 H LEU 39 -1.204 10.736 11.006 346 HA LEU 39 HA LEU 39 -2.252 13.339 11.475 347 HB2 LEU 39 2HB LEU 39 -1.819 12.034 9.238 348 HB3 LEU 39 1HB LEU 39 -3.451 11.442 9.482 349 HG LEU 39 HG LEU 39 -2.735 14.372 9.344 350 HD11 LEU 39 1HD1 LEU 39 -3.621 14.338 7.081 351 HD12 LEU 39 2HD1 LEU 39 -3.872 12.595 7.190 352 HD13 LEU 39 3HD1 LEU 39 -2.236 13.254 7.223 353 HD21 LEU 39 3HD2 LEU 39 -4.768 14.101 10.520 354 HD22 LEU 39 1HD2 LEU 39 -5.337 12.861 9.403 355 HD23 LEU 39 2HD2 LEU 39 -5.213 14.539 8.872 356 H ARG 40 H ARG 40 -3.755 10.119 11.378 357 HA ARG 40 HA ARG 40 -6.333 10.820 12.068 358 HB2 ARG 40 2HB ARG 40 -4.913 8.441 11.655 359 HB3 ARG 40 1HB ARG 40 -5.522 8.297 13.296 360 HG2 ARG 40 2HG ARG 40 -7.190 8.877 10.863 361 HG3 ARG 40 1HG ARG 40 -7.030 7.309 11.649 362 HD2 ARG 40 2HD ARG 40 -7.973 9.747 13.124 363 HD3 ARG 40 1HD ARG 40 -9.080 8.710 12.226 364 HE ARG 40 HE ARG 40 -7.524 7.128 13.936 365 HH11 ARG 40 1HH1 ARG 40 -10.082 9.497 14.074 366 HH12 ARG 40 2HH1 ARG 40 -10.742 8.882 15.551 367 HH21 ARG 40 1HH2 ARG 40 -8.392 6.316 15.880 368 HH22 ARG 40 2HH2 ARG 40 -9.783 7.076 16.577 369 H GLU 41 H GLU 41 -3.671 9.839 14.214 370 HA GLU 41 HA GLU 41 -5.018 10.019 16.639 371 HB2 GLU 41 2HB GLU 41 -2.106 10.527 16.013 372 HB3 GLU 41 1HB GLU 41 -2.750 10.353 17.640 373 HG2 GLU 41 2HG GLU 41 -3.024 8.233 15.529 374 HG3 GLU 41 1HG GLU 41 -1.670 8.310 16.656 375 H ALA 42 H ALA 42 -3.534 12.536 14.691 376 HA ALA 42 HA ALA 42 -3.394 14.603 16.532 377 HB1 ALA 42 1HB ALA 42 -4.228 15.012 13.671 378 HB2 ALA 42 2HB ALA 42 -2.580 14.582 14.130 379 HB3 ALA 42 3HB ALA 42 -3.291 16.090 14.706 380 H ARG 43 H ARG 43 -6.139 13.600 14.527 381 HA ARG 43 HA ARG 43 -7.882 15.507 15.894 382 HB2 ARG 43 2HB ARG 43 -9.573 14.732 14.207 383 HB3 ARG 43 1HB ARG 43 -8.158 15.531 13.537 384 HG2 ARG 43 2HG ARG 43 -7.262 13.529 12.724 385 HG3 ARG 43 1HG ARG 43 -8.321 12.543 13.735 386 HD2 ARG 43 2HD ARG 43 -9.765 14.327 11.918 387 HD3 ARG 43 1HD ARG 43 -8.744 13.157 11.086 388 HE ARG 43 HE ARG 43 -10.188 11.787 13.038 389 HH11 ARG 43 1HH1 ARG 43 -10.789 13.547 10.085 390 HH12 ARG 43 2HH1 ARG 43 -12.205 12.636 9.683 391 HH21 ARG 43 1HH2 ARG 43 -12.050 10.588 12.512 392 HH22 ARG 43 2HH2 ARG 43 -12.923 10.956 11.060 393 H ALA 44 H ALA 44 -10.103 14.677 16.477 394 HA ALA 44 HA ALA 44 -11.381 13.400 17.864 395 HB1 ALA 44 1HB ALA 44 -9.995 11.179 16.370 396 HB2 ALA 44 2HB ALA 44 -11.518 11.954 15.938 397 HB3 ALA 44 3HB ALA 44 -11.412 10.975 17.400 398 H1 GLY -7 1HT GLY -7 25.361 26.705 2.731 399 H2 GLY -7 2HT GLY -7 26.604 27.829 2.970 400 H3 GLY -7 3HT GLY -7 26.795 26.586 1.840 401 HA2 GLY -7 1HA GLY -7 25.032 28.955 1.674 402 HA3 GLY -7 2HA GLY -7 26.328 28.495 0.580 403 H ALA -6 H ALA -6 25.564 25.684 0.517 404 HA ALA -6 HA ALA -6 22.875 25.425 -0.355 405 HB1 ALA -6 1HB ALA -6 24.972 25.682 -2.506 406 HB2 ALA -6 2HB ALA -6 23.594 26.750 -2.234 407 HB3 ALA -6 3HB ALA -6 23.331 25.088 -2.765 408 H MET -5 H MET -5 22.380 23.361 -0.013 409 HA MET -5 HA MET -5 24.527 21.343 -0.089 410 HB2 MET -5 2HB MET -5 23.014 19.988 1.342 411 HB3 MET -5 1HB MET -5 23.494 21.509 2.080 412 HG2 MET -5 2HG MET -5 21.369 22.482 1.651 413 HG3 MET -5 1HG MET -5 20.887 21.125 0.636 414 HE1 MET -5 3HE MET -5 20.979 22.690 4.049 415 HE2 MET -5 1HE MET -5 22.373 21.647 4.331 416 HE3 MET -5 2HE MET -5 20.866 21.359 5.201 417 H GLY -4 H GLY -4 21.398 22.202 -1.381 418 HA2 GLY -4 2HA GLY -4 21.657 20.637 -3.673 419 HA3 GLY -4 1HA GLY -4 20.736 19.695 -2.512 420 H SER -3 H SER -3 20.069 21.033 -5.143 421 HA SER -3 HA SER -3 17.431 21.844 -4.439 422 HB2 SER -3 2HB SER -3 19.366 23.977 -5.370 423 HB3 SER -3 1HB SER -3 17.613 24.165 -5.388 424 HG SER -3 HG SER -3 17.659 23.800 -3.109 425 H MET -2 H MET -2 16.063 21.660 -6.160 426 HA MET -2 HA MET -2 16.833 21.930 -8.866 427 HB2 MET -2 2HB MET -2 16.624 19.537 -9.530 428 HB3 MET -2 1HB MET -2 18.047 19.882 -8.557 429 HG2 MET -2 2HG MET -2 16.393 19.159 -6.593 430 HG3 MET -2 1HG MET -2 15.646 18.264 -7.911 431 HE1 MET -2 3HE MET -2 16.128 16.725 -5.866 432 HE2 MET -2 1HE MET -2 17.623 15.815 -5.653 433 HE3 MET -2 2HE MET -2 16.553 15.447 -7.004 434 H SER -1 H SER -1 15.077 20.815 -10.332 435 HA SER -1 HA SER -1 12.471 20.666 -9.022 436 HB2 SER -1 2HB SER -1 11.461 22.357 -10.445 437 HB3 SER -1 1HB SER -1 12.815 23.070 -9.569 438 HG SER -1 HG SER -1 13.993 23.120 -11.395 439 H HIS 2 H HIS 2 13.334 18.450 -9.882 440 HA HIS 2 HA HIS 2 11.889 17.921 -12.362 441 HB2 HIS 2 2HB HIS 2 13.744 16.585 -13.282 442 HB3 HIS 2 1HB HIS 2 14.190 18.278 -13.109 443 HD1 HIS 2 1HD HIS 2 16.629 16.948 -13.285 444 HD2 HIS 2 2HD HIS 2 14.529 16.716 -9.704 445 HE1 HIS 2 1HE HIS 2 18.319 16.262 -11.557 446 HE2 HIS 2 2HE HIS 2 16.988 15.967 -9.440 447 H ILE 3 H ILE 3 10.672 17.238 -10.305 448 HA ILE 3 HA ILE 3 11.321 15.077 -8.732 449 HB ILE 3 HB ILE 3 8.557 15.619 -9.803 450 HG12 ILE 3 2HG1 ILE 3 9.217 17.730 -9.002 451 HG13 ILE 3 1HG1 ILE 3 8.365 17.011 -7.644 452 HG21 ILE 3 1HG2 ILE 3 9.619 14.202 -7.380 453 HG22 ILE 3 2HG2 ILE 3 8.498 13.613 -8.607 454 HG23 ILE 3 3HG2 ILE 3 7.970 14.822 -7.443 455 HD11 ILE 3 3HD1 ILE 3 10.575 16.350 -6.705 456 HD12 ILE 3 1HD1 ILE 3 10.308 18.088 -6.815 457 HD13 ILE 3 2HD1 ILE 3 11.336 17.283 -7.994 458 H GLN 4 H GLN 4 10.624 12.869 -8.760 459 HA GLN 4 HA GLN 4 9.933 11.694 -11.338 460 HB2 GLN 4 2HB GLN 4 12.596 11.530 -10.112 461 HB3 GLN 4 1HB GLN 4 11.906 9.948 -10.434 462 HG2 GLN 4 2HG GLN 4 13.148 10.480 -12.338 463 HG3 GLN 4 1HG GLN 4 11.471 10.772 -12.791 464 HE21 GLN 4 1HE2 GLN 4 11.195 12.557 -13.927 465 HE22 GLN 4 2HE2 GLN 4 12.132 14.003 -13.801 466 H ILE 5 H ILE 5 8.181 10.583 -10.857 467 HA ILE 5 HA ILE 5 7.366 9.726 -8.338 468 HB ILE 5 HB ILE 5 6.557 8.658 -11.040 469 HG12 ILE 5 2HG1 ILE 5 6.135 11.033 -10.903 470 HG13 ILE 5 1HG1 ILE 5 4.605 10.184 -10.755 471 HG21 ILE 5 1HG2 ILE 5 4.451 8.009 -9.834 472 HG22 ILE 5 2HG2 ILE 5 5.314 8.309 -8.326 473 HG23 ILE 5 3HG2 ILE 5 5.878 7.059 -9.433 474 HD11 ILE 5 3HD1 ILE 5 6.144 11.681 -8.681 475 HD12 ILE 5 1HD1 ILE 5 4.981 10.441 -8.210 476 HD13 ILE 5 2HD1 ILE 5 4.447 11.838 -9.148 477 HA PRO 6 HA PRO 6 10.254 6.230 -7.869 478 HB2 PRO 6 2HB PRO 6 8.358 5.662 -5.630 479 HB3 PRO 6 1HB PRO 6 10.125 5.712 -5.622 480 HG2 PRO 6 2HG PRO 6 8.711 7.704 -4.572 481 HG3 PRO 6 1HG PRO 6 10.191 8.028 -5.497 482 HD2 PRO 6 2HD PRO 6 7.332 8.355 -6.314 483 HD3 PRO 6 1HD PRO 6 8.744 9.360 -6.701 484 HA PRO 7 HA PRO 7 7.762 2.970 -9.595 485 HB2 PRO 7 2HB PRO 7 9.312 0.838 -9.258 486 HB3 PRO 7 1HB PRO 7 9.880 2.212 -10.217 487 HG2 PRO 7 2HG PRO 7 10.522 1.498 -7.377 488 HG3 PRO 7 1HG PRO 7 11.615 2.034 -8.668 489 HD2 PRO 7 2HD PRO 7 10.560 3.693 -6.722 490 HD3 PRO 7 1HD PRO 7 11.143 4.242 -8.305 491 H GLY 8 H GLY 8 5.865 2.478 -8.609 492 HA2 GLY 8 2HA GLY 8 4.856 0.481 -7.495 493 HA3 GLY 8 1HA GLY 8 5.968 0.783 -6.173 494 H LEU 9 H LEU 9 5.563 3.712 -6.358 495 HA LEU 9 HA LEU 9 3.608 4.032 -4.421 496 HB2 LEU 9 2HB LEU 9 5.443 5.644 -5.228 497 HB3 LEU 9 1HB LEU 9 4.273 6.185 -6.414 498 HG LEU 9 HG LEU 9 3.464 6.174 -3.533 499 HD11 LEU 9 1HD1 LEU 9 5.702 7.208 -3.569 500 HD12 LEU 9 2HD1 LEU 9 4.424 8.349 -3.153 501 HD13 LEU 9 3HD1 LEU 9 5.125 8.361 -4.770 502 HD21 LEU 9 3HD2 LEU 9 2.879 7.993 -5.864 503 HD22 LEU 9 1HD2 LEU 9 2.203 8.152 -4.245 504 HD23 LEU 9 2HD2 LEU 9 1.818 6.740 -5.226 505 H THR 10 H THR 10 3.304 4.366 -7.940 506 HA THR 10 HA THR 10 0.737 5.365 -8.094 507 HB THR 10 HB THR 10 1.762 3.223 -9.953 508 HG1 THR 10 1HG THR 10 2.972 4.731 -10.954 509 HG21 THR 10 3HG2 THR 10 0.604 5.390 -11.335 510 HG22 THR 10 1HG2 THR 10 -0.514 4.961 -10.037 511 HG23 THR 10 2HG2 THR 10 0.002 3.740 -11.203 512 H GLU 11 H GLU 11 1.744 2.008 -7.634 513 HA GLU 11 HA GLU 11 -0.899 0.944 -7.778 514 HB2 GLU 11 2HB GLU 11 1.215 -0.324 -8.255 515 HB3 GLU 11 1HB GLU 11 1.529 -0.336 -6.525 516 HG2 GLU 11 2HG GLU 11 -0.618 -1.518 -6.189 517 HG3 GLU 11 1HG GLU 11 -0.812 -1.590 -7.939 518 H LEU 12 H LEU 12 1.256 1.777 -5.075 519 HA LEU 12 HA LEU 12 -0.191 0.716 -2.984 520 HB2 LEU 12 2HB LEU 12 1.756 2.915 -3.286 521 HB3 LEU 12 1HB LEU 12 0.757 3.008 -1.850 522 HG LEU 12 HG LEU 12 2.834 1.897 -1.330 523 HD11 LEU 12 1HD1 LEU 12 0.990 -0.428 -1.350 524 HD12 LEU 12 2HD1 LEU 12 0.439 1.036 -0.536 525 HD13 LEU 12 3HD1 LEU 12 1.940 0.262 -0.036 526 HD21 LEU 12 3HD2 LEU 12 3.509 -0.174 -2.385 527 HD22 LEU 12 1HD2 LEU 12 3.334 1.091 -3.602 528 HD23 LEU 12 2HD2 LEU 12 2.084 -0.141 -3.423 529 H LEU 13 H LEU 13 -0.464 4.091 -4.150 530 HA LEU 13 HA LEU 13 -2.654 4.741 -2.511 531 HB2 LEU 13 2HB LEU 13 -2.003 5.927 -5.210 532 HB3 LEU 13 1HB LEU 13 -2.963 6.669 -3.945 533 HG LEU 13 HG LEU 13 0.010 6.163 -3.923 534 HD11 LEU 13 1HD1 LEU 13 0.035 8.652 -3.562 535 HD12 LEU 13 2HD1 LEU 13 -1.688 8.649 -3.940 536 HD13 LEU 13 3HD1 LEU 13 -0.519 8.123 -5.151 537 HD21 LEU 13 3HD2 LEU 13 -0.100 7.329 -1.680 538 HD22 LEU 13 1HD2 LEU 13 -0.678 5.665 -1.719 539 HD23 LEU 13 2HD2 LEU 13 -1.831 6.999 -1.695 540 H GLN 14 H GLN 14 -2.441 3.287 -5.690 541 HA GLN 14 HA GLN 14 -5.170 3.480 -6.377 542 HB2 GLN 14 2HB GLN 14 -3.155 2.807 -7.856 543 HB3 GLN 14 1HB GLN 14 -3.435 1.182 -7.249 544 HG2 GLN 14 2HG GLN 14 -5.908 1.693 -8.019 545 HG3 GLN 14 1HG GLN 14 -5.095 2.848 -9.070 546 HE21 GLN 14 1HE2 GLN 14 -2.718 1.261 -9.401 547 HE22 GLN 14 2HE2 GLN 14 -3.138 -0.060 -10.428 548 H GLY 15 H GLY 15 -3.332 0.944 -4.716 549 HA2 GLY 15 2HA GLY 15 -5.293 -1.004 -4.504 550 HA3 GLY 15 1HA GLY 15 -4.018 -0.747 -3.323 551 H TYR 16 H TYR 16 -4.815 1.866 -2.524 552 HA TYR 16 HA TYR 16 -6.873 1.150 -0.643 553 HB2 TYR 16 2HB TYR 16 -5.002 2.469 0.129 554 HB3 TYR 16 1HB TYR 16 -5.322 3.708 -1.080 555 HD1 TYR 16 2HD TYR 16 -6.985 1.987 1.782 556 HD2 TYR 16 1HD TYR 16 -6.543 5.587 -0.443 557 HE1 TYR 16 2HE TYR 16 -8.428 3.152 3.393 558 HE2 TYR 16 1HE TYR 16 -7.989 6.762 1.162 559 HH TYR 16 HH TYR 16 -8.722 6.536 3.488 560 H THR 17 H THR 17 -6.539 3.544 -3.245 561 HA THR 17 HA THR 17 -8.988 4.799 -2.964 562 HB THR 17 HB THR 17 -7.698 4.291 -5.638 563 HG1 THR 17 1HG THR 17 -6.201 5.798 -5.168 564 HG21 THR 17 3HG2 THR 17 -9.617 6.255 -4.597 565 HG22 THR 17 1HG2 THR 17 -9.323 5.714 -6.250 566 HG23 THR 17 2HG2 THR 17 -8.282 6.935 -5.522 567 H VAL 18 H VAL 18 -8.238 1.960 -4.999 568 HA VAL 18 HA VAL 18 -10.673 1.618 -6.241 569 HB VAL 18 HB VAL 18 -10.218 -0.829 -6.271 570 HG11 VAL 18 1HG1 VAL 18 -7.952 -0.628 -7.411 571 HG12 VAL 18 2HG1 VAL 18 -8.003 1.080 -6.976 572 HG13 VAL 18 3HG1 VAL 18 -9.246 0.400 -8.026 573 HG21 VAL 18 3HG2 VAL 18 -8.345 -1.791 -5.196 574 HG22 VAL 18 1HG2 VAL 18 -9.176 -0.850 -3.961 575 HG23 VAL 18 2HG2 VAL 18 -7.718 -0.217 -4.716 576 H GLU 19 H GLU 19 -9.947 1.147 -2.889 577 HA GLU 19 HA GLU 19 -12.299 -0.416 -2.322 578 HB2 GLU 19 2HB GLU 19 -10.274 0.943 -0.557 579 HB3 GLU 19 1HB GLU 19 -11.674 0.106 0.091 580 HG2 GLU 19 2HG GLU 19 -9.715 -1.231 -1.745 581 HG3 GLU 19 1HG GLU 19 -9.492 -1.177 0.001 582 H VAL 20 H VAL 20 -11.376 2.998 -1.970 583 HA VAL 20 HA VAL 20 -13.635 3.823 -0.543 584 HB VAL 20 HB VAL 20 -11.436 5.134 -1.188 585 HG11 VAL 20 1HG1 VAL 20 -11.672 6.765 -2.912 586 HG12 VAL 20 2HG1 VAL 20 -13.330 6.272 -3.234 587 HG13 VAL 20 3HG1 VAL 20 -11.996 5.190 -3.620 588 HG21 VAL 20 3HG2 VAL 20 -12.704 7.305 -0.759 589 HG22 VAL 20 1HG2 VAL 20 -12.854 6.031 0.447 590 HG23 VAL 20 2HG2 VAL 20 -14.156 6.311 -0.711 591 H LEU 21 H LEU 21 -13.101 3.600 -4.037 592 HA LEU 21 HA LEU 21 -15.520 4.760 -4.835 593 HB2 LEU 21 2HB LEU 21 -13.546 2.938 -6.127 594 HB3 LEU 21 1HB LEU 21 -15.109 3.119 -6.892 595 HG LEU 21 HG LEU 21 -13.624 4.618 -7.968 596 HD11 LEU 21 1HD1 LEU 21 -15.021 6.524 -6.149 597 HD12 LEU 21 2HD1 LEU 21 -15.969 5.430 -7.155 598 HD13 LEU 21 3HD1 LEU 21 -14.838 6.557 -7.900 599 HD21 LEU 21 3HD2 LEU 21 -12.070 4.654 -5.860 600 HD22 LEU 21 1HD2 LEU 21 -12.974 6.118 -5.477 601 HD23 LEU 21 2HD2 LEU 21 -12.084 6.005 -6.991 602 H ARG 22 H ARG 22 -14.718 1.286 -4.495 603 HA ARG 22 HA ARG 22 -17.454 0.526 -4.961 604 HB2 ARG 22 2HB ARG 22 -16.736 -1.728 -4.743 605 HB3 ARG 22 1HB ARG 22 -15.491 -0.864 -5.627 606 HG2 ARG 22 2HG ARG 22 -14.108 -0.763 -3.652 607 HG3 ARG 22 1HG ARG 22 -15.372 -1.527 -2.691 608 HD2 ARG 22 2HD ARG 22 -15.012 -3.595 -3.606 609 HD3 ARG 22 1HD ARG 22 -14.419 -2.941 -5.133 610 HE ARG 22 HE ARG 22 -12.525 -2.239 -3.296 611 HH11 ARG 22 1HH1 ARG 22 -13.948 -5.250 -4.349 612 HH12 ARG 22 2HH1 ARG 22 -12.532 -6.182 -4.000 613 HH21 ARG 22 1HH2 ARG 22 -10.665 -3.465 -2.843 614 HH22 ARG 22 2HH2 ARG 22 -10.669 -5.170 -3.149 615 H GLN 23 H GLN 23 -15.638 1.280 -2.087 616 HA GLN 23 HA GLN 23 -17.685 -0.013 -0.413 617 HB2 GLN 23 2HB GLN 23 -15.110 -0.276 -0.087 618 HB3 GLN 23 1HB GLN 23 -15.215 1.303 0.672 619 HG2 GLN 23 2HG GLN 23 -16.562 -1.244 1.523 620 HG3 GLN 23 1HG GLN 23 -15.326 -0.330 2.387 621 HE21 GLN 23 1HE2 GLN 23 -15.900 1.530 3.493 622 HE22 GLN 23 2HE2 GLN 23 -17.544 1.933 3.840 623 H GLN 24 H GLN 24 -15.973 3.083 -0.704 624 HA GLN 24 HA GLN 24 -16.588 5.206 -0.257 625 HB2 GLN 24 2HB GLN 24 -19.432 4.196 -0.200 626 HB3 GLN 24 1HB GLN 24 -18.901 5.848 -0.464 627 HG2 GLN 24 2HG GLN 24 -18.202 3.584 -2.310 628 HG3 GLN 24 1HG GLN 24 -19.634 4.591 -2.505 629 HE21 GLN 24 1HE2 GLN 24 -18.386 4.835 -4.616 630 HE22 GLN 24 2HE2 GLN 24 -17.310 6.183 -4.708 631 HA PRO 25 HA PRO 25 -17.129 4.030 4.267 632 HB2 PRO 25 2HB PRO 25 -14.690 4.867 5.108 633 HB3 PRO 25 1HB PRO 25 -14.955 3.254 4.435 634 HG2 PRO 25 2HG PRO 25 -13.903 5.714 3.084 635 HG3 PRO 25 1HG PRO 25 -13.276 4.058 3.030 636 HD2 PRO 25 2HD PRO 25 -14.802 5.068 1.058 637 HD3 PRO 25 1HD PRO 25 -14.881 3.363 1.522 638 HA PRO 26 HA PRO 26 -18.075 8.183 5.457 639 HB2 PRO 26 2HB PRO 26 -17.926 8.113 8.139 640 HB3 PRO 26 1HB PRO 26 -19.145 7.190 7.252 641 HG2 PRO 26 2HG PRO 26 -16.531 6.261 8.389 642 HG3 PRO 26 1HG PRO 26 -18.127 5.492 8.490 643 HD2 PRO 26 2HD PRO 26 -16.229 4.739 6.689 644 HD3 PRO 26 1HD PRO 26 -17.968 4.598 6.374 645 H ASP 27 H ASP 27 -14.973 6.922 6.577 646 HA ASP 27 HA ASP 27 -13.928 9.675 6.559 647 HB2 ASP 27 2HB ASP 27 -12.340 8.705 8.445 648 HB3 ASP 27 1HB ASP 27 -13.917 9.378 8.844 649 H LEU 28 H LEU 28 -12.093 9.968 5.493 650 HA LEU 28 HA LEU 28 -11.006 7.776 3.976 651 HB2 LEU 28 2HB LEU 28 -10.263 10.697 4.114 652 HB3 LEU 28 1HB LEU 28 -9.529 9.549 3.012 653 HG LEU 28 HG LEU 28 -12.487 9.722 2.892 654 HD11 LEU 28 1HD1 LEU 28 -10.752 11.959 1.855 655 HD12 LEU 28 2HD1 LEU 28 -11.908 12.078 3.182 656 HD13 LEU 28 3HD1 LEU 28 -12.475 11.749 1.544 657 HD21 LEU 28 3HD2 LEU 28 -12.145 9.359 0.581 658 HD22 LEU 28 1HD2 LEU 28 -10.987 8.321 1.413 659 HD23 LEU 28 2HD2 LEU 28 -10.449 9.834 0.679 660 H VAL 29 H VAL 29 -9.733 10.096 6.351 661 HA VAL 29 HA VAL 29 -7.135 9.097 6.490 662 HB VAL 29 HB VAL 29 -7.869 11.269 7.428 663 HG11 VAL 29 1HG1 VAL 29 -8.975 11.443 9.525 664 HG12 VAL 29 2HG1 VAL 29 -8.900 9.703 9.784 665 HG13 VAL 29 3HG1 VAL 29 -9.931 10.360 8.516 666 HG21 VAL 29 3HG2 VAL 29 -5.754 10.883 8.174 667 HG22 VAL 29 1HG2 VAL 29 -6.165 9.336 8.909 668 HG23 VAL 29 2HG2 VAL 29 -6.575 10.840 9.732 669 H GLU 30 H GLU 30 -9.999 8.209 8.409 670 HA GLU 30 HA GLU 30 -8.616 6.418 10.118 671 HB2 GLU 30 2HB GLU 30 -10.966 7.501 10.383 672 HB3 GLU 30 1HB GLU 30 -11.530 6.124 9.448 673 HG2 GLU 30 2HG GLU 30 -10.502 4.626 11.136 674 HG3 GLU 30 1HG GLU 30 -10.108 6.051 12.097 675 H PHE 31 H PHE 31 -10.799 5.776 7.362 676 HA PHE 31 HA PHE 31 -10.483 3.028 7.244 677 HB2 PHE 31 2HB PHE 31 -12.130 4.339 5.937 678 HB3 PHE 31 1HB PHE 31 -10.825 4.904 4.899 679 HD1 PHE 31 2HD PHE 31 -12.135 1.663 6.217 680 HD2 PHE 31 1HD PHE 31 -10.596 3.819 2.887 681 HE1 PHE 31 2HE PHE 31 -12.432 -0.325 4.797 682 HE2 PHE 31 1HE PHE 31 -10.891 1.836 1.463 683 HZ PHE 31 HZ PHE 31 -11.809 -0.240 2.416 684 H ALA 32 H ALA 32 -8.262 5.515 6.321 685 HA ALA 32 HA ALA 32 -6.639 3.873 4.618 686 HB1 ALA 32 1HB ALA 32 -6.182 6.572 5.851 687 HB2 ALA 32 2HB ALA 32 -6.683 6.210 4.198 688 HB3 ALA 32 3HB ALA 32 -5.056 5.791 4.740 689 H VAL 33 H VAL 33 -6.488 4.862 8.012 690 HA VAL 33 HA VAL 33 -3.893 3.922 8.535 691 HB VAL 33 HB VAL 33 -6.283 4.258 10.347 692 HG11 VAL 33 1HG1 VAL 33 -4.530 4.090 12.208 693 HG12 VAL 33 2HG1 VAL 33 -3.523 3.270 11.014 694 HG13 VAL 33 3HG1 VAL 33 -5.084 2.586 11.473 695 HG21 VAL 33 3HG2 VAL 33 -5.261 6.294 9.422 696 HG22 VAL 33 1HG2 VAL 33 -3.709 5.811 10.107 697 HG23 VAL 33 2HG2 VAL 33 -5.063 6.186 11.170 698 H GLU 34 H GLU 34 -7.035 2.332 9.004 699 HA GLU 34 HA GLU 34 -6.046 -0.122 9.918 700 HB2 GLU 34 2HB GLU 34 -8.610 0.480 8.436 701 HB3 GLU 34 1HB GLU 34 -8.270 -1.019 9.291 702 HG2 GLU 34 2HG GLU 34 -8.262 1.673 10.628 703 HG3 GLU 34 1HG GLU 34 -9.693 0.651 10.514 704 H TYR 35 H TYR 35 -6.886 0.936 6.630 705 HA TYR 35 HA TYR 35 -6.434 -1.521 5.353 706 HB2 TYR 35 2HB TYR 35 -7.628 0.396 4.328 707 HB3 TYR 35 1HB TYR 35 -6.095 1.250 4.190 708 HD1 TYR 35 2HD TYR 35 -8.137 -1.499 2.876 709 HD2 TYR 35 1HD TYR 35 -4.454 0.603 2.517 710 HE1 TYR 35 2HE TYR 35 -7.753 -2.554 0.686 711 HE2 TYR 35 1HE TYR 35 -4.063 -0.445 0.327 712 HH TYR 35 HH TYR 35 -6.331 -1.845 -1.472 713 H PHE 36 H PHE 36 -4.258 1.335 5.396 714 HA PHE 36 HA PHE 36 -2.093 0.115 4.183 715 HB2 PHE 36 2HB PHE 36 -2.405 2.445 6.019 716 HB3 PHE 36 1HB PHE 36 -0.775 1.842 5.737 717 HD1 PHE 36 1HD PHE 36 -0.228 1.382 3.187 718 HD2 PHE 36 2HD PHE 36 -3.183 4.102 4.595 719 HE1 PHE 36 1HE PHE 36 -0.106 2.610 1.060 720 HE2 PHE 36 2HE PHE 36 -3.065 5.333 2.467 721 HZ PHE 36 HZ PHE 36 -1.524 4.585 0.697 722 H THR 37 H THR 37 -2.966 0.121 7.618 723 HA THR 37 HA THR 37 -0.630 -1.195 8.519 724 HB THR 37 HB THR 37 -2.087 -1.832 10.498 725 HG1 THR 37 1HG THR 37 -4.008 -0.186 9.237 726 HG21 THR 37 3HG2 THR 37 -2.562 0.570 11.174 727 HG22 THR 37 1HG2 THR 37 -1.842 1.021 9.629 728 HG23 THR 37 2HG2 THR 37 -0.890 0.137 10.822 729 H ARG 38 H ARG 38 -3.754 -2.329 7.374 730 HA ARG 38 HA ARG 38 -3.533 -5.042 7.960 731 HB2 ARG 38 2HB ARG 38 -5.536 -3.783 7.005 732 HB3 ARG 38 1HB ARG 38 -4.786 -3.975 5.428 733 HG2 ARG 38 2HG ARG 38 -5.199 -6.226 5.343 734 HG3 ARG 38 1HG ARG 38 -5.180 -6.411 7.097 735 HD2 ARG 38 2HD ARG 38 -7.361 -5.602 7.325 736 HD3 ARG 38 1HD ARG 38 -7.356 -4.860 5.726 737 HE ARG 38 HE ARG 38 -8.071 -7.544 6.370 738 HH11 ARG 38 1HH1 ARG 38 -6.655 -5.557 3.872 739 HH12 ARG 38 2HH1 ARG 38 -7.128 -6.617 2.588 740 HH21 ARG 38 1HH2 ARG 38 -8.690 -8.938 4.682 741 HH22 ARG 38 2HH2 ARG 38 -8.282 -8.536 3.048 742 H LEU 39 H LEU 39 -2.446 -3.266 5.086 743 HA LEU 39 HA LEU 39 -1.436 -5.459 3.662 744 HB2 LEU 39 2HB LEU 39 -1.157 -2.530 3.542 745 HB3 LEU 39 1HB LEU 39 0.223 -3.402 2.904 746 HG LEU 39 HG LEU 39 -1.300 -4.630 1.375 747 HD11 LEU 39 1HD1 LEU 39 -3.575 -3.944 1.089 748 HD12 LEU 39 2HD1 LEU 39 -3.394 -2.672 2.296 749 HD13 LEU 39 3HD1 LEU 39 -3.332 -4.366 2.784 750 HD21 LEU 39 3HD2 LEU 39 -1.574 -2.842 -0.184 751 HD22 LEU 39 1HD2 LEU 39 -0.095 -2.544 0.728 752 HD23 LEU 39 2HD2 LEU 39 -1.562 -1.641 1.107 753 H ARG 40 H ARG 40 0.334 -3.134 5.712 754 HA ARG 40 HA ARG 40 2.848 -4.183 5.606 755 HB2 ARG 40 2HB ARG 40 1.345 -2.916 7.882 756 HB3 ARG 40 1HB ARG 40 3.015 -3.424 8.080 757 HG2 ARG 40 2HG ARG 40 2.161 -1.576 5.879 758 HG3 ARG 40 1HG ARG 40 2.595 -0.994 7.484 759 HD2 ARG 40 2HD ARG 40 4.391 -2.707 5.775 760 HD3 ARG 40 1HD ARG 40 4.460 -0.951 5.817 761 HE ARG 40 HE ARG 40 4.656 -1.758 8.429 762 HH11 ARG 40 1HH1 ARG 40 6.468 -2.298 5.496 763 HH12 ARG 40 2HH1 ARG 40 7.974 -2.521 6.320 764 HH21 ARG 40 1HH2 ARG 40 6.636 -2.053 9.515 765 HH22 ARG 40 2HH2 ARG 40 8.070 -2.383 8.601 766 H GLU 41 H GLU 41 0.565 -5.010 8.213 767 HA GLU 41 HA GLU 41 2.049 -7.090 9.292 768 HB2 GLU 41 2HB GLU 41 -0.966 -6.991 9.283 769 HB3 GLU 41 1HB GLU 41 0.088 -7.706 10.496 770 HG2 GLU 41 2HG GLU 41 0.899 -5.052 10.405 771 HG3 GLU 41 1HG GLU 41 -0.852 -4.967 10.231 772 H ALA 42 H ALA 42 0.168 -7.055 6.396 773 HA ALA 42 HA ALA 42 -0.222 -9.903 6.263 774 HB1 ALA 42 1HB ALA 42 -1.176 -9.537 4.124 775 HB2 ALA 42 2HB ALA 42 -0.404 -7.959 3.972 776 HB3 ALA 42 3HB ALA 42 -1.697 -8.199 5.146 777 H ARG 43 H ARG 43 2.122 -7.593 5.012 778 HA ARG 43 HA ARG 43 3.537 -9.681 3.550 779 HB2 ARG 43 2HB ARG 43 5.013 -7.843 2.810 780 HB3 ARG 43 1HB ARG 43 3.321 -7.572 2.417 781 HG2 ARG 43 2HG ARG 43 3.085 -5.920 4.057 782 HG3 ARG 43 1HG ARG 43 4.568 -6.398 4.880 783 HD2 ARG 43 2HD ARG 43 4.942 -5.609 2.078 784 HD3 ARG 43 1HD ARG 43 4.345 -4.317 3.116 785 HE ARG 43 HE ARG 43 6.464 -5.505 4.451 786 HH11 ARG 43 1HH1 ARG 43 5.946 -3.755 1.476 787 HH12 ARG 43 2HH1 ARG 43 7.545 -3.090 1.444 788 HH21 ARG 43 1HH2 ARG 43 8.566 -4.631 4.410 789 HH22 ARG 43 2HH2 ARG 43 9.032 -3.588 3.108 790 H ALA 44 H ALA 44 5.870 -9.949 3.841 791 HA ALA 44 HA ALA 44 7.644 -10.543 5.138 792 HB1 ALA 44 1HB ALA 44 8.433 -8.869 6.752 793 HB2 ALA 44 2HB ALA 44 6.903 -8.006 6.590 794 HB3 ALA 44 3HB ALA 44 7.989 -8.142 5.207 795 H1 ALA 578 1HT ALA 578 15.531 -10.284 -9.219 796 H2 ALA 578 2HT ALA 578 16.819 -9.575 -8.333 797 H3 ALA 578 3HT ALA 578 15.486 -10.270 -7.506 798 HA ALA 578 HA ALA 578 17.589 -11.608 -9.051 799 HB1 ALA 578 2HB ALA 578 18.128 -11.069 -6.740 800 HB2 ALA 578 3HB ALA 578 17.942 -12.811 -6.949 801 HB3 ALA 578 1HB ALA 578 16.654 -11.871 -6.197 802 H MET 579 H MET 579 14.733 -12.360 -7.048 803 HA MET 579 HA MET 579 14.198 -14.683 -8.782 804 HB2 MET 579 2HB MET 579 12.726 -15.387 -6.807 805 HB3 MET 579 1HB MET 579 14.470 -15.456 -6.580 806 HG2 MET 579 2HG MET 579 14.482 -13.525 -5.241 807 HG3 MET 579 1HG MET 579 12.844 -13.086 -5.719 808 HE1 MET 579 3HE MET 579 14.843 -16.081 -4.254 809 HE2 MET 579 1HE MET 579 13.461 -16.898 -4.983 810 HE3 MET 579 2HE MET 579 13.647 -16.878 -3.230 811 H ALA 580 H ALA 580 12.868 -11.717 -7.513 812 HA ALA 580 HA ALA 580 10.985 -10.542 -8.013 813 HB1 ALA 580 1HB ALA 580 10.203 -10.592 -10.209 814 HB2 ALA 580 2HB ALA 580 10.528 -12.316 -10.392 815 HB3 ALA 580 3HB ALA 580 11.863 -11.164 -10.362 816 H ASP 581 H ASP 581 8.540 -11.375 -9.154 817 HA ASP 581 HA ASP 581 6.558 -12.319 -8.577 818 HB2 ASP 581 2HB ASP 581 8.360 -14.610 -7.765 819 HB3 ASP 581 1HB ASP 581 6.604 -14.709 -7.854 820 H ILE 582 H ILE 582 5.260 -11.809 -6.937 821 HA ILE 582 HA ILE 582 5.726 -12.562 -4.245 822 HB ILE 582 HB ILE 582 7.382 -10.750 -4.355 823 HG12 ILE 582 2HG1 ILE 582 4.990 -9.924 -2.701 824 HG13 ILE 582 1HG1 ILE 582 6.072 -11.245 -2.269 825 HG21 ILE 582 1HG2 ILE 582 6.821 -8.494 -4.803 826 HG22 ILE 582 2HG2 ILE 582 5.095 -8.853 -4.823 827 HG23 ILE 582 3HG2 ILE 582 6.134 -9.451 -6.116 828 HD11 ILE 582 3HD1 ILE 582 6.508 -9.062 -1.125 829 HD12 ILE 582 1HD1 ILE 582 7.008 -8.423 -2.691 830 HD13 ILE 582 2HD1 ILE 582 7.892 -9.764 -1.963 831 H GLY 583 H GLY 583 4.119 -10.266 -6.413 832 HA2 GLY 583 2HA GLY 583 1.838 -9.918 -4.706 833 HA3 GLY 583 1HA GLY 583 1.984 -9.388 -6.375 834 H SER 584 H SER 584 0.495 -10.266 -7.646 835 HA SER 584 HA SER 584 -0.949 -11.742 -8.590 836 HB2 SER 584 2HB SER 584 0.633 -13.956 -7.277 837 HB3 SER 584 1HB SER 584 -0.295 -14.021 -8.775 838 HG SER 584 HG SER 584 2.135 -13.754 -8.831 839 H ALA 585 H ALA 585 -2.980 -12.009 -7.937 840 HA ALA 585 HA ALA 585 -3.608 -13.573 -5.585 841 HB1 ALA 585 1HB ALA 585 -4.283 -10.638 -5.697 842 HB2 ALA 585 2HB ALA 585 -3.232 -11.443 -4.533 843 HB3 ALA 585 3HB ALA 585 -4.963 -11.781 -4.540 844 H SER 586 H SER 586 -4.114 -13.490 -8.542 845 HA SER 586 HA SER 586 -5.777 -14.106 -9.954 846 HB2 SER 586 2HB SER 586 -7.676 -14.293 -7.620 847 HB3 SER 586 1HB SER 586 -7.679 -15.221 -9.120 848 HG SER 586 HG SER 586 -5.789 -15.388 -7.010 849 H GLY 587 H GLY 587 -7.447 -12.202 -7.421 850 HA2 GLY 587 2HA GLY 587 -7.817 -9.967 -9.178 851 HA3 GLY 587 1HA GLY 587 -9.285 -10.917 -8.999 852 H TYR 588 H TYR 588 -10.609 -9.926 -7.656 853 HA TYR 588 HA TYR 588 -11.249 -9.556 -5.422 854 HB2 TYR 588 2HB TYR 588 -8.885 -9.792 -4.568 855 HB3 TYR 588 1HB TYR 588 -8.669 -8.088 -4.964 856 HD1 TYR 588 1HD TYR 588 -11.259 -10.161 -3.231 857 HD2 TYR 588 2HD TYR 588 -8.797 -6.692 -3.119 858 HE1 TYR 588 1HE TYR 588 -12.199 -9.569 -1.037 859 HE2 TYR 588 2HE TYR 588 -9.729 -6.093 -0.925 860 HH TYR 588 HH TYR 588 -11.832 -6.547 0.368 861 H VAL 589 H VAL 589 -9.628 -7.396 -7.470 862 HA VAL 589 HA VAL 589 -11.395 -5.181 -6.739 863 HB VAL 589 HB VAL 589 -9.103 -5.033 -8.686 864 HG11 VAL 589 1HG1 VAL 589 -10.389 -3.085 -8.832 865 HG12 VAL 589 2HG1 VAL 589 -9.082 -2.651 -7.730 866 HG13 VAL 589 3HG1 VAL 589 -10.680 -3.033 -7.093 867 HG21 VAL 589 3HG2 VAL 589 -7.753 -4.223 -6.728 868 HG22 VAL 589 1HG2 VAL 589 -8.130 -5.946 -6.713 869 HG23 VAL 589 2HG2 VAL 589 -9.032 -4.838 -5.681 870 HA PRO 590 HA PRO 590 -14.057 -6.249 -10.234 871 HB2 PRO 590 2HB PRO 590 -14.821 -3.377 -9.927 872 HB3 PRO 590 1HB PRO 590 -15.848 -4.808 -10.060 873 HG2 PRO 590 2HG PRO 590 -15.488 -3.636 -7.708 874 HG3 PRO 590 1HG PRO 590 -15.533 -5.403 -7.838 875 HD2 PRO 590 2HD PRO 590 -13.183 -3.587 -7.480 876 HD3 PRO 590 1HD PRO 590 -13.491 -5.194 -6.788 877 H GLU 591 H GLU 591 -14.848 -4.313 -12.101 878 HA GLU 591 HA GLU 591 -12.337 -3.963 -13.580 879 HB2 GLU 591 2HB GLU 591 -15.160 -3.805 -14.643 880 HB3 GLU 591 1HB GLU 591 -13.676 -3.907 -15.578 881 HG2 GLU 591 2HG GLU 591 -14.579 -6.055 -15.647 882 HG3 GLU 591 1HG GLU 591 -13.301 -6.147 -14.438 883 H GLU 592 H GLU 592 -15.384 -2.110 -13.837 884 HA GLU 592 HA GLU 592 -14.191 0.256 -14.591 885 HB2 GLU 592 2HB GLU 592 -16.721 -0.513 -14.465 886 HB3 GLU 592 1HB GLU 592 -16.691 0.398 -12.962 887 HG2 GLU 592 2HG GLU 592 -16.138 2.408 -14.087 888 HG3 GLU 592 1HG GLU 592 -15.796 1.552 -15.589 889 H ILE 593 H ILE 593 -14.340 -1.124 -11.439 890 HA ILE 593 HA ILE 593 -13.985 1.309 -9.980 891 HB ILE 593 HB ILE 593 -13.590 -1.587 -9.238 892 HG12 ILE 593 2HG1 ILE 593 -15.917 -0.608 -9.541 893 HG13 ILE 593 1HG1 ILE 593 -15.595 -1.362 -7.986 894 HG21 ILE 593 1HG2 ILE 593 -13.015 0.868 -7.612 895 HG22 ILE 593 2HG2 ILE 593 -11.998 -0.548 -7.875 896 HG23 ILE 593 3HG2 ILE 593 -13.431 -0.670 -6.854 897 HD11 ILE 593 3HD1 ILE 593 -16.836 0.667 -7.665 898 HD12 ILE 593 1HD1 ILE 593 -15.637 1.589 -8.567 899 HD13 ILE 593 2HD1 ILE 593 -15.210 0.872 -7.018 900 H TRP 594 H TRP 594 -11.903 -0.917 -11.649 901 HA TRP 594 HA TRP 594 -9.500 -0.006 -10.370 902 HB2 TRP 594 2HB TRP 594 -9.558 -2.290 -11.144 903 HB3 TRP 594 1HB TRP 594 -9.948 -1.768 -12.781 904 HD1 TRP 594 HD TRP 594 -7.960 -0.630 -14.207 905 HE1 TRP 594 1HE TRP 594 -5.400 -0.792 -13.984 906 HE3 TRP 594 3HE TRP 594 -7.690 -2.568 -9.495 907 HZ2 TRP 594 2HZ TRP 594 -3.518 -1.649 -12.050 908 HZ3 TRP 594 3HZ TRP 594 -5.478 -3.029 -8.529 909 HH2 TRP 594 HH TRP 594 -3.438 -2.583 -9.781 910 H LYS 595 H LYS 595 -10.999 0.429 -13.557 911 HA LYS 595 HA LYS 595 -8.968 1.990 -14.680 912 HB2 LYS 595 2HB LYS 595 -11.900 1.673 -15.201 913 HB3 LYS 595 1HB LYS 595 -11.031 2.969 -16.012 914 HG2 LYS 595 2HG LYS 595 -9.699 1.500 -17.221 915 HG3 LYS 595 1HG LYS 595 -10.008 0.156 -16.121 916 HD2 LYS 595 2HD LYS 595 -12.276 1.358 -17.669 917 HD3 LYS 595 1HD LYS 595 -11.173 0.234 -18.465 918 HE2 LYS 595 2HE LYS 595 -11.821 -1.547 -17.140 919 HE3 LYS 595 1HE LYS 595 -12.382 -0.508 -15.832 920 HZ1 LYS 595 3HZ LYS 595 -14.149 0.226 -17.516 921 HZ2 LYS 595 1HZ LYS 595 -14.325 -1.288 -16.782 922 HZ3 LYS 595 2HZ LYS 595 -13.737 -1.178 -18.364 923 H LYS 596 H LYS 596 -11.829 2.938 -12.750 924 HA LYS 596 HA LYS 596 -11.303 5.712 -12.986 925 HB2 LYS 596 2HB LYS 596 -13.311 4.066 -11.780 926 HB3 LYS 596 1HB LYS 596 -12.736 5.191 -10.560 927 HG2 LYS 596 2HG LYS 596 -14.558 6.238 -11.605 928 HG3 LYS 596 1HG LYS 596 -13.118 7.029 -12.247 929 HD2 LYS 596 2HD LYS 596 -13.253 5.634 -14.256 930 HD3 LYS 596 1HD LYS 596 -14.694 4.845 -13.611 931 HE2 LYS 596 2HE LYS 596 -15.919 6.913 -13.678 932 HE3 LYS 596 1HE LYS 596 -14.468 7.805 -14.137 933 HZ1 LYS 596 3HZ LYS 596 -14.672 7.191 -16.268 934 HZ2 LYS 596 1HZ LYS 596 -16.284 6.871 -15.871 935 HZ3 LYS 596 2HZ LYS 596 -15.154 5.614 -15.896 936 H ALA 597 H ALA 597 -10.721 3.457 -10.232 937 HA ALA 597 HA ALA 597 -9.547 5.177 -8.477 938 HB1 ALA 597 1HB ALA 597 -8.570 3.287 -7.442 939 HB2 ALA 597 2HB ALA 597 -8.561 2.378 -8.953 940 HB3 ALA 597 3HB ALA 597 -10.089 2.745 -8.153 941 H GLU 598 H GLU 598 -8.115 3.727 -11.327 942 HA GLU 598 HA GLU 598 -5.419 4.352 -10.769 943 HB2 GLU 598 2HB GLU 598 -6.943 3.662 -13.253 944 HB3 GLU 598 1HB GLU 598 -5.306 4.286 -13.414 945 HG2 GLU 598 2HG GLU 598 -4.565 2.467 -11.856 946 HG3 GLU 598 1HG GLU 598 -6.190 1.794 -11.982 947 H GLU 599 H GLU 599 -8.040 6.186 -12.179 948 HA GLU 599 HA GLU 599 -6.499 8.350 -13.166 949 HB2 GLU 599 2HB GLU 599 -8.910 7.852 -13.732 950 HB3 GLU 599 1HB GLU 599 -9.344 8.488 -12.152 951 HG2 GLU 599 2HG GLU 599 -8.562 10.661 -12.726 952 HG3 GLU 599 1HG GLU 599 -7.840 10.068 -14.221 953 H ALA 600 H ALA 600 -8.161 7.801 -10.068 954 HA ALA 600 HA ALA 600 -7.708 10.235 -8.841 955 HB1 ALA 600 1HB ALA 600 -7.844 7.467 -7.683 956 HB2 ALA 600 2HB ALA 600 -9.143 8.653 -7.816 957 HB3 ALA 600 3HB ALA 600 -7.805 8.932 -6.701 958 H VAL 601 H VAL 601 -5.510 7.490 -9.148 959 HA VAL 601 HA VAL 601 -3.536 8.653 -7.420 960 HB VAL 601 HB VAL 601 -3.247 6.327 -9.330 961 HG11 VAL 601 1HG1 VAL 601 -1.452 7.553 -7.290 962 HG12 VAL 601 2HG1 VAL 601 -1.068 6.822 -8.847 963 HG13 VAL 601 3HG1 VAL 601 -1.451 5.800 -7.468 964 HG21 VAL 601 3HG2 VAL 601 -4.997 5.902 -7.742 965 HG22 VAL 601 1HG2 VAL 601 -3.987 6.474 -6.415 966 HG23 VAL 601 2HG2 VAL 601 -3.568 4.986 -7.263 967 H ASN 602 H ASN 602 -3.939 8.361 -10.923 968 HA ASN 602 HA ASN 602 -1.403 9.472 -11.579 969 HB2 ASN 602 2HB ASN 602 -3.973 9.099 -13.107 970 HB3 ASN 602 1HB ASN 602 -2.616 9.965 -13.822 971 HD21 ASN 602 1HD2 ASN 602 -3.400 6.923 -12.186 972 HD22 ASN 602 2HD2 ASN 602 -2.317 5.947 -13.112 973 H GLU 603 H GLU 603 -4.587 10.816 -10.972 974 HA GLU 603 HA GLU 603 -3.990 13.468 -11.803 975 HB2 GLU 603 2HB GLU 603 -6.292 12.506 -11.541 976 HB3 GLU 603 1HB GLU 603 -6.073 12.598 -9.799 977 HG2 GLU 603 2HG GLU 603 -5.714 15.053 -10.052 978 HG3 GLU 603 1HG GLU 603 -6.155 14.883 -11.750 979 H VAL 604 H VAL 604 -4.303 12.108 -8.483 980 HA VAL 604 HA VAL 604 -3.450 14.421 -7.203 981 HB VAL 604 HB VAL 604 -4.584 12.489 -6.105 982 HG11 VAL 604 1HG1 VAL 604 -2.818 10.850 -7.109 983 HG12 VAL 604 2HG1 VAL 604 -3.492 10.548 -5.510 984 HG13 VAL 604 3HG1 VAL 604 -1.890 11.269 -5.669 985 HG21 VAL 604 3HG2 VAL 604 -2.058 13.451 -4.781 986 HG22 VAL 604 1HG2 VAL 604 -3.501 12.847 -3.979 987 HG23 VAL 604 2HG2 VAL 604 -3.567 14.356 -4.878 988 H LYS 605 H LYS 605 -1.616 11.924 -8.732 989 HA LYS 605 HA LYS 605 0.881 12.589 -7.460 990 HB2 LYS 605 2HB LYS 605 -0.031 10.526 -9.218 991 HB3 LYS 605 1HB LYS 605 1.427 11.228 -9.886 992 HG2 LYS 605 2HG LYS 605 2.458 10.913 -7.592 993 HG3 LYS 605 1HG LYS 605 1.051 9.921 -7.209 994 HD2 LYS 605 2HD LYS 605 2.779 9.416 -9.617 995 HD3 LYS 605 1HD LYS 605 3.129 8.712 -8.040 996 HE2 LYS 605 2HE LYS 605 1.910 7.066 -9.154 997 HE3 LYS 605 1HE LYS 605 0.734 7.837 -8.097 998 HZ1 LYS 605 3HZ LYS 605 -0.444 8.570 -9.835 999 HZ2 LYS 605 1HZ LYS 605 0.412 7.430 -10.745 1000 HZ3 LYS 605 2HZ LYS 605 0.925 9.040 -10.708 1001 H ARG 606 H ARG 606 -0.439 13.211 -10.717 1002 HA ARG 606 HA ARG 606 1.815 14.555 -11.697 1003 HB2 ARG 606 2HB ARG 606 0.362 15.515 -13.389 1004 HB3 ARG 606 1HB ARG 606 -0.036 13.821 -13.145 1005 HG2 ARG 606 2HG ARG 606 -1.999 14.367 -11.943 1006 HG3 ARG 606 1HG ARG 606 -1.553 16.064 -11.835 1007 HD2 ARG 606 2HD ARG 606 -1.561 15.635 -14.550 1008 HD3 ARG 606 1HD ARG 606 -2.876 14.598 -13.997 1009 HE ARG 606 HE ARG 606 -3.000 17.226 -12.870 1010 HH11 ARG 606 1HH1 ARG 606 -3.759 15.351 -15.723 1011 HH12 ARG 606 2HH1 ARG 606 -5.057 16.389 -16.207 1012 HH21 ARG 606 1HH2 ARG 606 -4.705 18.586 -13.514 1013 HH22 ARG 606 2HH2 ARG 606 -5.593 18.224 -14.957 1014 H GLN 607 H GLN 607 -0.812 15.645 -9.646 1015 HA GLN 607 HA GLN 607 -0.055 18.411 -9.882 1016 HB2 GLN 607 2HB GLN 607 -1.728 18.853 -8.151 1017 HB3 GLN 607 1HB GLN 607 -2.374 17.908 -9.483 1018 HG2 GLN 607 2HG GLN 607 -2.056 15.878 -8.089 1019 HG3 GLN 607 1HG GLN 607 -1.621 16.930 -6.749 1020 HE21 GLN 607 1HE2 GLN 607 -3.261 17.095 -5.380 1021 HE22 GLN 607 2HE2 GLN 607 -4.927 17.250 -5.803 1022 H ALA 608 H ALA 608 0.367 15.950 -7.268 1023 HA ALA 608 HA ALA 608 1.463 17.530 -5.316 1024 HB1 ALA 608 1HB ALA 608 2.546 14.814 -6.024 1025 HB2 ALA 608 2HB ALA 608 0.993 15.055 -5.221 1026 HB3 ALA 608 3HB ALA 608 2.482 15.581 -4.437 1027 H MET 609 H MET 609 2.920 16.378 -8.251 1028 HA MET 609 HA MET 609 5.602 17.082 -7.621 1029 HB2 MET 609 2HB MET 609 6.151 16.348 -9.705 1030 HB3 MET 609 1HB MET 609 4.544 15.642 -9.619 1031 HG2 MET 609 2HG MET 609 3.754 17.818 -10.736 1032 HG3 MET 609 1HG MET 609 5.454 18.071 -11.116 1033 HE1 MET 609 3HE MET 609 6.793 15.677 -11.862 1034 HE2 MET 609 1HE MET 609 6.686 16.876 -13.152 1035 HE3 MET 609 2HE MET 609 6.327 15.182 -13.489 1036 H THR 610 H THR 610 2.897 18.917 -8.926 1037 HA THR 610 HA THR 610 4.482 21.155 -9.731 1038 HB THR 610 HB THR 610 2.154 20.619 -10.580 1039 HG1 THR 610 1HG THR 610 2.489 23.261 -9.630 1040 HG21 THR 610 3HG2 THR 610 0.638 22.299 -8.928 1041 HG22 THR 610 1HG2 THR 610 1.384 21.123 -7.854 1042 HG23 THR 610 2HG2 THR 610 0.408 20.576 -9.211 1043 H GLU 611 H GLU 611 2.973 20.155 -6.753 1044 HA GLU 611 HA GLU 611 3.178 22.637 -5.378 1045 HB2 GLU 611 2HB GLU 611 3.115 19.798 -4.335 1046 HB3 GLU 611 1HB GLU 611 3.001 21.227 -3.318 1047 HG2 GLU 611 2HG GLU 611 1.070 20.614 -5.538 1048 HG3 GLU 611 1HG GLU 611 0.828 20.114 -3.864 1049 H LEU 612 H LEU 612 5.366 20.155 -6.191 1050 HA LEU 612 HA LEU 612 7.442 20.984 -4.327 1051 HB2 LEU 612 2HB LEU 612 6.821 18.594 -5.651 1052 HB3 LEU 612 1HB LEU 612 8.316 19.132 -6.387 1053 HG LEU 612 HG LEU 612 8.009 18.936 -3.397 1054 HD11 LEU 612 1HD1 LEU 612 8.708 16.767 -5.353 1055 HD12 LEU 612 2HD1 LEU 612 7.512 16.742 -4.057 1056 HD13 LEU 612 3HD1 LEU 612 9.232 16.724 -3.668 1057 HD21 LEU 612 3HD2 LEU 612 10.618 18.391 -4.563 1058 HD22 LEU 612 1HD2 LEU 612 10.155 19.535 -3.304 1059 HD23 LEU 612 2HD2 LEU 612 10.016 19.990 -5.001 1060 H GLN 613 H GLN 613 6.881 21.001 -7.830 1061 HA GLN 613 HA GLN 613 9.332 22.103 -8.600 1062 HB2 GLN 613 2HB GLN 613 6.590 22.169 -9.839 1063 HB3 GLN 613 1HB GLN 613 7.956 22.977 -10.599 1064 HG2 GLN 613 2HG GLN 613 9.152 20.746 -10.493 1065 HG3 GLN 613 1HG GLN 613 7.590 20.045 -10.075 1066 HE21 GLN 613 1HE2 GLN 613 9.434 21.671 -12.546 1067 HE22 GLN 613 2HE2 GLN 613 8.401 21.262 -13.868 1068 H LYS 614 H LYS 614 6.677 23.538 -6.961 1069 HA LYS 614 HA LYS 614 7.562 26.253 -7.621 1070 HB2 LYS 614 2HB LYS 614 5.521 27.027 -6.599 1071 HB3 LYS 614 1HB LYS 614 5.141 25.732 -7.724 1072 HG2 LYS 614 2HG LYS 614 4.864 24.173 -5.905 1073 HG3 LYS 614 1HG LYS 614 5.377 25.391 -4.739 1074 HD2 LYS 614 2HD LYS 614 2.950 25.170 -4.753 1075 HD3 LYS 614 1HD LYS 614 3.440 26.767 -5.318 1076 HE2 LYS 614 2HE LYS 614 2.902 26.277 -7.538 1077 HE3 LYS 614 1HE LYS 614 2.913 24.536 -7.254 1078 HZ1 LYS 614 3HZ LYS 614 0.695 25.990 -7.396 1079 HZ2 LYS 614 1HZ LYS 614 0.965 26.053 -5.727 1080 HZ3 LYS 614 2HZ LYS 614 0.809 24.559 -6.504 1081 H ALA 615 H ALA 615 9.138 24.435 -5.950 1082 HA ALA 615 HA ALA 615 8.958 25.646 -3.290 1083 HB1 ALA 615 1HB ALA 615 10.618 23.357 -4.334 1084 HB2 ALA 615 2HB ALA 615 9.182 23.252 -3.316 1085 HB3 ALA 615 3HB ALA 615 10.667 23.956 -2.676 Start of MODEL 7 1 H1 GLY -7 1HT GLY -7 -30.198 3.936 -24.989 2 H2 GLY -7 2HT GLY -7 -30.307 2.340 -25.542 3 H3 GLY -7 3HT GLY -7 -29.203 3.407 -26.253 4 HA2 GLY -7 1HA GLY -7 -29.104 2.482 -23.433 5 HA3 GLY -7 2HA GLY -7 -28.120 1.832 -24.736 6 H ALA -6 H ALA -6 -26.960 2.877 -22.467 7 HA ALA -6 HA ALA -6 -25.335 4.311 -21.776 8 HB1 ALA -6 1HB ALA -6 -25.108 5.121 -24.668 9 HB2 ALA -6 2HB ALA -6 -24.406 3.647 -24.003 10 HB3 ALA -6 3HB ALA -6 -23.867 5.221 -23.419 11 H MET -5 H MET -5 -24.766 6.599 -21.501 12 HA MET -5 HA MET -5 -25.231 8.808 -21.209 13 HB2 MET -5 2HB MET -5 -26.032 8.558 -23.688 14 HB3 MET -5 1HB MET -5 -27.644 8.638 -22.994 15 HG2 MET -5 2HG MET -5 -27.092 10.825 -23.660 16 HG3 MET -5 1HG MET -5 -26.955 10.792 -21.903 17 HE1 MET -5 3HE MET -5 -23.540 10.709 -24.922 18 HE2 MET -5 1HE MET -5 -24.800 11.919 -25.161 19 HE3 MET -5 2HE MET -5 -25.216 10.206 -25.146 20 H GLY -4 H GLY -4 -26.422 6.576 -19.703 21 HA2 GLY -4 2HA GLY -4 -29.017 7.612 -18.857 22 HA3 GLY -4 1HA GLY -4 -28.265 6.114 -18.332 23 H SER -3 H SER -3 -27.888 6.163 -16.216 24 HA SER -3 HA SER -3 -27.683 8.573 -14.724 25 HB2 SER -3 2HB SER -3 -28.565 6.447 -13.786 26 HB3 SER -3 1HB SER -3 -26.943 5.762 -13.874 27 HG SER -3 HG SER -3 -27.941 7.775 -12.192 28 H MET -2 H MET -2 -25.793 8.898 -13.163 29 HA MET -2 HA MET -2 -23.353 9.000 -14.754 30 HB2 MET -2 2HB MET -2 -24.098 10.243 -12.104 31 HB3 MET -2 1HB MET -2 -22.530 10.442 -12.873 32 HG2 MET -2 2HG MET -2 -25.124 11.219 -14.175 33 HG3 MET -2 1HG MET -2 -24.147 12.320 -13.207 34 HE1 MET -2 3HE MET -2 -22.561 14.000 -16.103 35 HE2 MET -2 1HE MET -2 -22.689 13.970 -14.344 36 HE3 MET -2 2HE MET -2 -24.148 13.974 -15.335 37 H SER -1 H SER -1 -24.535 6.572 -13.157 38 HA SER -1 HA SER -1 -23.706 4.761 -12.068 39 HB2 SER -1 2HB SER -1 -21.952 5.028 -13.888 40 HB3 SER -1 1HB SER -1 -20.951 5.841 -12.685 41 HG SER -1 HG SER -1 -20.547 3.562 -12.873 42 H HIS 2 H HIS 2 -22.748 4.067 -10.080 43 HA HIS 2 HA HIS 2 -22.424 6.270 -8.165 44 HB2 HIS 2 2HB HIS 2 -23.127 4.783 -6.464 45 HB3 HIS 2 1HB HIS 2 -24.194 4.478 -7.827 46 HD1 HIS 2 1HD HIS 2 -23.591 2.431 -5.504 47 HD2 HIS 2 2HD HIS 2 -21.835 2.408 -9.269 48 HE1 HIS 2 1HE HIS 2 -22.815 0.068 -5.872 49 HE2 HIS 2 2HE HIS 2 -21.825 0.062 -8.188 50 H ILE 3 H ILE 3 -20.250 5.945 -9.701 51 HA ILE 3 HA ILE 3 -18.269 4.870 -7.814 52 HB ILE 3 HB ILE 3 -17.890 4.601 -10.798 53 HG12 ILE 3 2HG1 ILE 3 -18.968 2.472 -8.932 54 HG13 ILE 3 1HG1 ILE 3 -19.913 3.321 -10.151 55 HG21 ILE 3 1HG2 ILE 3 -16.560 3.397 -8.381 56 HG22 ILE 3 2HG2 ILE 3 -15.851 4.458 -9.594 57 HG23 ILE 3 3HG2 ILE 3 -16.290 2.811 -10.021 58 HD11 ILE 3 3HD1 ILE 3 -18.559 2.360 -11.907 59 HD12 ILE 3 1HD1 ILE 3 -19.240 1.094 -10.884 60 HD13 ILE 3 2HD1 ILE 3 -17.545 1.553 -10.710 61 H GLN 4 H GLN 4 -19.335 7.540 -8.362 62 HA GLN 4 HA GLN 4 -17.534 9.029 -9.947 63 HB2 GLN 4 2HB GLN 4 -18.482 11.008 -8.705 64 HB3 GLN 4 1HB GLN 4 -19.658 9.989 -9.522 65 HG2 GLN 4 2HG GLN 4 -20.449 9.086 -7.519 66 HG3 GLN 4 1HG GLN 4 -19.033 9.618 -6.617 67 HE21 GLN 4 1HE2 GLN 4 -18.912 11.721 -5.894 68 HE22 GLN 4 2HE2 GLN 4 -20.265 12.796 -5.912 69 H ILE 5 H ILE 5 -15.517 9.696 -9.550 70 HA ILE 5 HA ILE 5 -13.919 8.931 -7.492 71 HB ILE 5 HB ILE 5 -13.739 11.567 -8.958 72 HG12 ILE 5 2HG1 ILE 5 -13.675 9.716 -10.511 73 HG13 ILE 5 1HG1 ILE 5 -12.043 10.345 -10.335 74 HG21 ILE 5 1HG2 ILE 5 -11.768 10.138 -7.194 75 HG22 ILE 5 2HG2 ILE 5 -12.358 11.794 -7.061 76 HG23 ILE 5 3HG2 ILE 5 -11.276 11.347 -8.380 77 HD11 ILE 5 3HD1 ILE 5 -11.784 8.473 -8.564 78 HD12 ILE 5 1HD1 ILE 5 -11.713 8.072 -10.280 79 HD13 ILE 5 2HD1 ILE 5 -13.190 7.772 -9.366 80 HA PRO 6 HA PRO 6 -16.135 10.873 -4.000 81 HB2 PRO 6 2HB PRO 6 -13.604 9.875 -2.743 82 HB3 PRO 6 1HB PRO 6 -15.267 9.785 -2.148 83 HG2 PRO 6 2HG PRO 6 -14.135 7.656 -3.238 84 HG3 PRO 6 1HG PRO 6 -15.827 8.051 -3.595 85 HD2 PRO 6 2HD PRO 6 -13.400 8.387 -5.298 86 HD3 PRO 6 1HD PRO 6 -15.064 7.989 -5.766 87 HA PRO 7 HA PRO 7 -13.832 14.788 -4.591 88 HB2 PRO 7 2HB PRO 7 -15.864 15.551 -2.528 89 HB3 PRO 7 1HB PRO 7 -15.377 16.407 -3.996 90 HG2 PRO 7 2HG PRO 7 -17.672 15.072 -3.919 91 HG3 PRO 7 1HG PRO 7 -16.656 15.043 -5.373 92 HD2 PRO 7 2HD PRO 7 -17.052 12.934 -3.297 93 HD3 PRO 7 1HD PRO 7 -16.793 12.768 -5.045 94 H GLY 8 H GLY 8 -12.271 15.829 -3.335 95 HA2 GLY 8 2HA GLY 8 -11.064 16.360 -1.416 96 HA3 GLY 8 1HA GLY 8 -12.151 15.355 -0.475 97 H LEU 9 H LEU 9 -11.646 13.112 -2.493 98 HA LEU 9 HA LEU 9 -9.724 11.712 -1.045 99 HB2 LEU 9 2HB LEU 9 -11.470 10.814 -2.648 100 HB3 LEU 9 1HB LEU 9 -10.366 11.220 -3.946 101 HG LEU 9 HG LEU 9 -9.345 9.498 -1.729 102 HD11 LEU 9 1HD1 LEU 9 -11.086 8.452 -3.955 103 HD12 LEU 9 2HD1 LEU 9 -11.539 8.538 -2.254 104 HD13 LEU 9 3HD1 LEU 9 -10.217 7.488 -2.761 105 HD21 LEU 9 3HD2 LEU 9 -8.113 8.459 -3.587 106 HD22 LEU 9 1HD2 LEU 9 -7.822 10.193 -3.477 107 HD23 LEU 9 2HD2 LEU 9 -8.908 9.561 -4.712 108 H THR 10 H THR 10 -9.401 13.619 -4.003 109 HA THR 10 HA THR 10 -6.779 12.981 -4.651 110 HB THR 10 HB THR 10 -7.880 15.760 -5.001 111 HG1 THR 10 1HG THR 10 -8.679 13.405 -6.351 112 HG21 THR 10 3HG2 THR 10 -6.464 14.046 -7.010 113 HG22 THR 10 1HG2 THR 10 -5.606 15.101 -5.888 114 HG23 THR 10 2HG2 THR 10 -6.743 15.787 -7.049 115 H GLU 11 H GLU 11 -8.026 15.420 -2.413 116 HA GLU 11 HA GLU 11 -5.536 16.620 -1.829 117 HB2 GLU 11 2HB GLU 11 -7.788 17.618 -1.373 118 HB3 GLU 11 1HB GLU 11 -7.962 16.489 -0.036 119 HG2 GLU 11 2HG GLU 11 -5.887 17.461 0.952 120 HG3 GLU 11 1HG GLU 11 -5.928 18.685 -0.317 121 H LEU 12 H LEU 12 -7.195 13.820 -0.499 122 HA LEU 12 HA LEU 12 -5.555 13.573 1.813 123 HB2 LEU 12 2HB LEU 12 -7.606 11.929 0.455 124 HB3 LEU 12 1HB LEU 12 -6.449 11.042 1.427 125 HG LEU 12 HG LEU 12 -8.557 11.631 2.619 126 HD11 LEU 12 1HD1 LEU 12 -6.291 11.252 3.724 127 HD12 LEU 12 2HD1 LEU 12 -7.519 12.092 4.668 128 HD13 LEU 12 3HD1 LEU 12 -6.217 13.004 3.909 129 HD21 LEU 12 3HD2 LEU 12 -8.757 13.889 1.507 130 HD22 LEU 12 1HD2 LEU 12 -7.517 14.455 2.626 131 HD23 LEU 12 2HD2 LEU 12 -9.056 13.855 3.244 132 H LEU 13 H LEU 13 -5.442 12.130 -1.415 133 HA LEU 13 HA LEU 13 -3.213 10.447 -0.846 134 HB2 LEU 13 2HB LEU 13 -4.725 11.257 -3.286 135 HB3 LEU 13 1HB LEU 13 -3.142 10.537 -3.502 136 HG LEU 13 HG LEU 13 -3.840 8.498 -2.459 137 HD11 LEU 13 1HD1 LEU 13 -6.322 10.030 -1.728 138 HD12 LEU 13 2HD1 LEU 13 -5.185 9.209 -0.661 139 HD13 LEU 13 3HD1 LEU 13 -6.249 8.268 -1.706 140 HD21 LEU 13 3HD2 LEU 13 -4.411 8.539 -4.752 141 HD22 LEU 13 1HD2 LEU 13 -5.810 9.576 -4.470 142 HD23 LEU 13 2HD2 LEU 13 -5.827 7.900 -3.919 143 H GLN 14 H GLN 14 -3.594 13.716 -2.041 144 HA GLN 14 HA GLN 14 -1.014 14.071 -3.094 145 HB2 GLN 14 2HB GLN 14 -3.210 15.590 -3.135 146 HB3 GLN 14 1HB GLN 14 -2.392 16.386 -1.804 147 HG2 GLN 14 2HG GLN 14 -0.491 16.053 -3.887 148 HG3 GLN 14 1HG GLN 14 -1.966 16.685 -4.610 149 HE21 GLN 14 1HE2 GLN 14 -2.318 18.804 -4.475 150 HE22 GLN 14 2HE2 GLN 14 -1.458 19.903 -3.456 151 H GLY 15 H GLY 15 -2.302 14.669 0.151 152 HA2 GLY 15 2HA GLY 15 -0.087 15.888 1.302 153 HA3 GLY 15 1HA GLY 15 -1.219 14.863 2.174 154 H TYR 16 H TYR 16 -0.786 12.426 0.949 155 HA TYR 16 HA TYR 16 1.640 11.622 2.238 156 HB2 TYR 16 2HB TYR 16 -0.395 10.190 2.142 157 HB3 TYR 16 1HB TYR 16 -0.133 9.990 0.412 158 HD1 TYR 16 1HD TYR 16 1.902 9.731 3.534 159 HD2 TYR 16 2HD TYR 16 0.856 7.976 -0.192 160 HE1 TYR 16 1HE TYR 16 3.408 7.850 4.013 161 HE2 TYR 16 2HE TYR 16 2.361 6.086 0.270 162 HH TYR 16 HH TYR 16 3.501 5.012 1.989 163 H THR 17 H THR 17 0.568 11.642 -1.157 164 HA THR 17 HA THR 17 2.820 10.605 -2.354 165 HB THR 17 HB THR 17 1.195 12.864 -3.523 166 HG1 THR 17 1HG THR 17 -0.219 11.234 -4.226 167 HG21 THR 17 3HG2 THR 17 2.810 12.397 -5.103 168 HG22 THR 17 1HG2 THR 17 1.490 11.331 -5.584 169 HG23 THR 17 2HG2 THR 17 2.865 10.683 -4.692 170 H VAL 18 H VAL 18 2.133 14.081 -1.969 171 HA VAL 18 HA VAL 18 4.560 15.034 -2.921 172 HB VAL 18 HB VAL 18 2.465 16.371 -2.383 173 HG11 VAL 18 1HG1 VAL 18 3.684 16.677 0.352 174 HG12 VAL 18 2HG1 VAL 18 2.392 15.526 0.015 175 HG13 VAL 18 3HG1 VAL 18 2.118 17.250 -0.225 176 HG21 VAL 18 3HG2 VAL 18 3.711 18.426 -1.974 177 HG22 VAL 18 1HG2 VAL 18 4.559 17.398 -3.130 178 HG23 VAL 18 2HG2 VAL 18 5.110 17.486 -1.457 179 H GLU 19 H GLU 19 3.729 13.810 0.267 180 HA GLU 19 HA GLU 19 6.121 14.764 1.527 181 HB2 GLU 19 2HB GLU 19 3.879 14.189 2.639 182 HB3 GLU 19 1HB GLU 19 4.402 12.513 2.549 183 HG2 GLU 19 2HG GLU 19 4.995 13.211 4.693 184 HG3 GLU 19 1HG GLU 19 6.498 13.268 3.773 185 H VAL 20 H VAL 20 5.060 11.635 0.244 186 HA VAL 20 HA VAL 20 7.199 10.059 1.034 187 HB VAL 20 HB VAL 20 5.598 9.888 -1.526 188 HG11 VAL 20 1HG1 VAL 20 7.482 7.916 -0.252 189 HG12 VAL 20 2HG1 VAL 20 7.562 8.599 -1.877 190 HG13 VAL 20 3HG1 VAL 20 6.281 7.462 -1.460 191 HG21 VAL 20 3HG2 VAL 20 5.133 7.987 0.692 192 HG22 VAL 20 1HG2 VAL 20 3.986 8.762 -0.398 193 HG23 VAL 20 2HG2 VAL 20 4.622 9.647 0.983 194 H LEU 21 H LEU 21 6.885 12.053 -1.892 195 HA LEU 21 HA LEU 21 9.446 11.322 -2.916 196 HB2 LEU 21 2HB LEU 21 7.596 11.956 -4.357 197 HB3 LEU 21 1HB LEU 21 7.560 13.554 -3.641 198 HG LEU 21 HG LEU 21 9.634 14.144 -4.631 199 HD11 LEU 21 1HD1 LEU 21 9.892 11.219 -5.174 200 HD12 LEU 21 2HD1 LEU 21 11.065 12.346 -4.499 201 HD13 LEU 21 3HD1 LEU 21 10.710 12.377 -6.224 202 HD21 LEU 21 3HD2 LEU 21 8.352 12.671 -6.890 203 HD22 LEU 21 1HD2 LEU 21 8.957 14.324 -6.819 204 HD23 LEU 21 2HD2 LEU 21 7.433 13.916 -6.043 205 H ARG 22 H ARG 22 8.235 13.978 -0.929 206 HA ARG 22 HA ARG 22 10.374 15.739 -1.227 207 HB2 ARG 22 2HB ARG 22 8.094 16.047 -0.090 208 HB3 ARG 22 1HB ARG 22 8.854 15.378 1.342 209 HG2 ARG 22 2HG ARG 22 10.257 17.206 1.606 210 HG3 ARG 22 1HG ARG 22 10.079 17.711 -0.077 211 HD2 ARG 22 2HD ARG 22 7.740 17.683 1.795 212 HD3 ARG 22 1HD ARG 22 8.847 19.056 1.736 213 HE ARG 22 HE ARG 22 7.887 18.305 -0.849 214 HH11 ARG 22 1HH1 ARG 22 7.059 20.087 2.042 215 HH12 ARG 22 2HH1 ARG 22 5.984 21.164 1.217 216 HH21 ARG 22 1HH2 ARG 22 6.471 19.722 -1.928 217 HH22 ARG 22 2HH2 ARG 22 5.649 20.956 -1.034 218 H GLN 23 H GLN 23 9.965 12.995 0.982 219 HA GLN 23 HA GLN 23 12.708 13.442 1.972 220 HB2 GLN 23 2HB GLN 23 10.798 13.462 3.619 221 HB3 GLN 23 1HB GLN 23 10.572 11.754 3.270 222 HG2 GLN 23 2HG GLN 23 12.509 11.134 4.339 223 HG3 GLN 23 1HG GLN 23 13.276 12.701 4.095 224 HE21 GLN 23 1HE2 GLN 23 12.025 14.534 5.232 225 HE22 GLN 23 2HE2 GLN 23 11.586 14.219 6.872 226 H GLN 24 H GLN 24 10.669 11.204 0.275 227 HA GLN 24 HA GLN 24 11.066 9.160 -0.661 228 HB2 GLN 24 2HB GLN 24 13.875 10.254 -0.552 229 HB3 GLN 24 1HB GLN 24 13.463 8.749 -1.360 230 HG2 GLN 24 2HG GLN 24 12.474 9.791 -3.111 231 HG3 GLN 24 1HG GLN 24 11.868 11.117 -2.123 232 HE21 GLN 24 1HE2 GLN 24 12.593 12.897 -3.099 233 HE22 GLN 24 2HE2 GLN 24 14.242 13.212 -3.508 234 HA PRO 25 HA PRO 25 12.247 7.140 3.288 235 HB2 PRO 25 2HB PRO 25 10.014 5.738 3.709 236 HB3 PRO 25 1HB PRO 25 10.064 7.479 4.013 237 HG2 PRO 25 2HG PRO 25 8.950 6.001 1.660 238 HG3 PRO 25 1HG PRO 25 8.269 7.384 2.536 239 HD2 PRO 25 2HD PRO 25 9.683 7.563 0.163 240 HD3 PRO 25 1HD PRO 25 9.487 8.893 1.320 241 HA PRO 26 HA PRO 26 13.457 3.229 1.601 242 HB2 PRO 26 2HB PRO 26 13.079 1.777 4.093 243 HB3 PRO 26 1HB PRO 26 14.583 2.326 3.351 244 HG2 PRO 26 2HG PRO 26 13.578 3.371 5.663 245 HG3 PRO 26 1HG PRO 26 14.604 4.284 4.541 246 HD2 PRO 26 2HD PRO 26 11.623 4.339 4.858 247 HD3 PRO 26 1HD PRO 26 12.758 5.681 4.606 248 H ASP 27 H ASP 27 10.468 3.190 3.477 249 HA ASP 27 HA ASP 27 9.438 1.083 1.697 250 HB2 ASP 27 2HB ASP 27 9.131 1.236 4.699 251 HB3 ASP 27 1HB ASP 27 8.167 0.180 3.670 252 H LEU 28 H LEU 28 7.399 1.310 1.010 253 HA LEU 28 HA LEU 28 6.162 3.893 1.351 254 HB2 LEU 28 2HB LEU 28 6.022 1.704 -0.558 255 HB3 LEU 28 1HB LEU 28 4.419 2.239 -0.111 256 HG LEU 28 HG LEU 28 5.297 3.317 -2.157 257 HD11 LEU 28 1HD1 LEU 28 3.567 4.459 -1.022 258 HD12 LEU 28 2HD1 LEU 28 4.779 5.667 -1.437 259 HD13 LEU 28 3HD1 LEU 28 4.671 5.061 0.212 260 HD21 LEU 28 3HD2 LEU 28 7.112 4.779 -2.168 261 HD22 LEU 28 1HD2 LEU 28 7.683 3.402 -1.225 262 HD23 LEU 28 2HD2 LEU 28 7.171 4.880 -0.409 263 H VAL 29 H VAL 29 5.158 0.518 1.855 264 HA VAL 29 HA VAL 29 2.683 0.973 3.004 265 HB VAL 29 HB VAL 29 3.433 -1.255 2.351 266 HG11 VAL 29 1HG1 VAL 29 5.112 -1.352 4.843 267 HG12 VAL 29 2HG1 VAL 29 5.779 -0.929 3.268 268 HG13 VAL 29 3HG1 VAL 29 5.047 -2.513 3.519 269 HG21 VAL 29 3HG2 VAL 29 2.431 -2.494 4.137 270 HG22 VAL 29 1HG2 VAL 29 1.604 -0.941 4.017 271 HG23 VAL 29 2HG2 VAL 29 2.790 -1.213 5.295 272 H GLU 30 H GLU 30 5.840 0.744 4.635 273 HA GLU 30 HA GLU 30 4.828 1.058 7.255 274 HB2 GLU 30 2HB GLU 30 7.119 0.205 6.623 275 HB3 GLU 30 1HB GLU 30 7.571 1.870 6.286 276 HG2 GLU 30 2HG GLU 30 8.346 1.292 8.467 277 HG3 GLU 30 1HG GLU 30 7.022 2.445 8.630 278 H PHE 31 H PHE 31 6.455 3.392 5.119 279 HA PHE 31 HA PHE 31 6.168 5.651 6.702 280 HB2 PHE 31 2HB PHE 31 7.559 5.452 4.644 281 HB3 PHE 31 1HB PHE 31 6.086 5.564 3.687 282 HD1 PHE 31 1HD PHE 31 7.947 7.390 6.346 283 HD2 PHE 31 2HD PHE 31 5.394 7.634 2.955 284 HE1 PHE 31 1HE PHE 31 8.118 9.844 6.405 285 HE2 PHE 31 2HE PHE 31 5.558 10.094 3.007 286 HZ PHE 31 HZ PHE 31 6.922 11.198 4.733 287 H ALA 32 H ALA 32 3.789 3.998 4.801 288 HA ALA 32 HA ALA 32 1.950 6.144 4.545 289 HB1 ALA 32 1HB ALA 32 1.461 3.182 4.457 290 HB2 ALA 32 2HB ALA 32 1.877 4.215 3.087 291 HB3 ALA 32 3HB ALA 32 0.337 4.433 3.920 292 H VAL 33 H VAL 33 2.291 3.533 6.911 293 HA VAL 33 HA VAL 33 -0.021 4.213 8.425 294 HB VAL 33 HB VAL 33 2.509 2.773 9.270 295 HG11 VAL 33 1HG1 VAL 33 -0.185 2.931 10.606 296 HG12 VAL 33 2HG1 VAL 33 1.348 3.557 11.219 297 HG13 VAL 33 3HG1 VAL 33 1.101 1.818 11.067 298 HG21 VAL 33 3HG2 VAL 33 1.537 1.547 7.504 299 HG22 VAL 33 1HG2 VAL 33 -0.094 1.792 8.127 300 HG23 VAL 33 2HG2 VAL 33 1.030 0.737 8.986 301 H GLU 34 H GLU 34 3.462 4.768 9.045 302 HA GLU 34 HA GLU 34 3.284 6.358 11.268 303 HB2 GLU 34 2HB GLU 34 5.202 6.643 8.951 304 HB3 GLU 34 1HB GLU 34 5.413 7.414 10.516 305 HG2 GLU 34 2HG GLU 34 5.399 5.135 11.544 306 HG3 GLU 34 1HG GLU 34 5.425 4.469 9.911 307 H TYR 35 H TYR 35 2.695 7.287 7.928 308 HA TYR 35 HA TYR 35 2.495 10.100 8.503 309 HB2 TYR 35 2HB TYR 35 3.223 9.345 6.302 310 HB3 TYR 35 1HB TYR 35 1.685 8.525 6.055 311 HD1 TYR 35 1HD TYR 35 -0.433 9.949 5.976 312 HD2 TYR 35 2HD TYR 35 3.477 11.608 5.691 313 HE1 TYR 35 1HE TYR 35 -1.375 11.984 4.969 314 HE2 TYR 35 2HE TYR 35 2.543 13.649 4.680 315 HH TYR 35 HH TYR 35 0.205 14.833 4.755 316 H PHE 36 H PHE 36 0.125 7.558 7.670 317 HA PHE 36 HA PHE 36 -2.117 9.275 7.905 318 HB2 PHE 36 2HB PHE 36 -1.690 6.355 7.563 319 HB3 PHE 36 1HB PHE 36 -3.246 6.845 8.222 320 HD1 PHE 36 1HD PHE 36 -4.557 8.628 6.929 321 HD2 PHE 36 2HD PHE 36 -1.338 6.410 5.248 322 HE1 PHE 36 1HE PHE 36 -5.372 9.162 4.671 323 HE2 PHE 36 2HE PHE 36 -2.147 6.940 2.989 324 HZ PHE 36 HZ PHE 36 -4.166 8.320 2.696 325 H THR 37 H THR 37 -0.584 7.031 10.189 326 HA THR 37 HA THR 37 -2.525 7.166 12.198 327 HB THR 37 HB THR 37 -0.644 6.567 13.755 328 HG1 THR 37 1HG THR 37 0.930 6.569 11.403 329 HG21 THR 37 3HG2 THR 37 -1.816 4.782 12.656 330 HG22 THR 37 1HG2 THR 37 -0.093 4.417 12.718 331 HG23 THR 37 2HG2 THR 37 -0.822 4.979 11.213 332 H ARG 38 H ARG 38 0.444 9.100 11.816 333 HA ARG 38 HA ARG 38 0.199 10.731 14.028 334 HB2 ARG 38 2HB ARG 38 1.604 10.858 11.463 335 HB3 ARG 38 1HB ARG 38 1.172 12.454 12.060 336 HG2 ARG 38 2HG ARG 38 3.400 11.829 12.774 337 HG3 ARG 38 1HG ARG 38 2.323 11.993 14.159 338 HD2 ARG 38 2HD ARG 38 2.415 9.775 14.662 339 HD3 ARG 38 1HD ARG 38 2.557 9.286 12.975 340 HE ARG 38 HE ARG 38 4.905 10.615 13.858 341 HH11 ARG 38 1HH1 ARG 38 3.222 7.562 14.050 342 HH12 ARG 38 2HH1 ARG 38 4.667 6.640 14.292 343 HH21 ARG 38 1HH2 ARG 38 6.804 9.402 14.176 344 HH22 ARG 38 2HH2 ARG 38 6.700 7.683 14.364 345 H LEU 39 H LEU 39 -1.021 11.430 10.752 346 HA LEU 39 HA LEU 39 -2.317 13.810 11.258 347 HB2 LEU 39 2HB LEU 39 -2.018 12.397 9.065 348 HB3 LEU 39 1HB LEU 39 -3.608 11.780 9.470 349 HG LEU 39 HG LEU 39 -2.949 14.701 9.071 350 HD11 LEU 39 1HD1 LEU 39 -2.754 13.317 7.013 351 HD12 LEU 39 2HD1 LEU 39 -4.031 14.532 6.943 352 HD13 LEU 39 3HD1 LEU 39 -4.438 12.840 7.229 353 HD21 LEU 39 3HD2 LEU 39 -5.465 14.857 8.928 354 HD22 LEU 39 1HD2 LEU 39 -4.804 14.531 10.529 355 HD23 LEU 39 2HD2 LEU 39 -5.519 13.222 9.588 356 H ARG 40 H ARG 40 -3.792 10.558 11.365 357 HA ARG 40 HA ARG 40 -6.297 11.319 12.315 358 HB2 ARG 40 2HB ARG 40 -5.603 9.046 11.454 359 HB3 ARG 40 1HB ARG 40 -4.891 8.746 13.033 360 HG2 ARG 40 2HG ARG 40 -7.165 7.789 12.729 361 HG3 ARG 40 1HG ARG 40 -7.015 8.887 14.101 362 HD2 ARG 40 2HD ARG 40 -8.317 10.504 13.125 363 HD3 ARG 40 1HD ARG 40 -7.881 10.017 11.489 364 HE ARG 40 HE ARG 40 -9.655 8.622 11.467 365 HH11 ARG 40 1HH1 ARG 40 -8.986 9.450 14.790 366 HH12 ARG 40 2HH1 ARG 40 -10.442 8.735 15.393 367 HH21 ARG 40 1HH2 ARG 40 -11.579 7.689 12.260 368 HH22 ARG 40 2HH2 ARG 40 -11.911 7.730 13.960 369 H GLU 41 H GLU 41 -3.482 10.172 14.170 370 HA GLU 41 HA GLU 41 -4.592 10.417 16.714 371 HB2 GLU 41 2HB GLU 41 -1.725 10.636 15.791 372 HB3 GLU 41 1HB GLU 41 -2.195 10.584 17.485 373 HG2 GLU 41 2HG GLU 41 -2.947 8.435 15.527 374 HG3 GLU 41 1HG GLU 41 -1.443 8.409 16.449 375 H ALA 42 H ALA 42 -3.004 12.813 14.679 376 HA ALA 42 HA ALA 42 -2.568 14.840 16.512 377 HB1 ALA 42 1HB ALA 42 -1.893 14.802 14.087 378 HB2 ALA 42 2HB ALA 42 -2.498 16.347 14.682 379 HB3 ALA 42 3HB ALA 42 -3.536 15.313 13.701 380 H ARG 43 H ARG 43 -5.521 14.108 14.694 381 HA ARG 43 HA ARG 43 -6.993 16.067 16.310 382 HB2 ARG 43 2HB ARG 43 -8.654 16.100 14.596 383 HB3 ARG 43 1HB ARG 43 -7.091 16.229 13.803 384 HG2 ARG 43 2HG ARG 43 -7.173 13.885 13.187 385 HG3 ARG 43 1HG ARG 43 -8.699 13.691 14.048 386 HD2 ARG 43 2HD ARG 43 -9.372 15.723 12.426 387 HD3 ARG 43 1HD ARG 43 -8.145 14.947 11.425 388 HE ARG 43 HE ARG 43 -9.979 13.036 12.434 389 HH11 ARG 43 1HH1 ARG 43 -9.680 15.567 10.047 390 HH12 ARG 43 2HH1 ARG 43 -10.841 14.862 8.973 391 HH21 ARG 43 1HH2 ARG 43 -11.507 12.110 11.021 392 HH22 ARG 43 2HH2 ARG 43 -11.879 12.900 9.526 393 H ALA 44 H ALA 44 -9.499 15.202 16.300 394 HA ALA 44 HA ALA 44 -10.942 13.863 17.443 395 HB1 ALA 44 1HB ALA 44 -9.316 11.557 16.400 396 HB2 ALA 44 2HB ALA 44 -10.401 12.501 15.378 397 HB3 ALA 44 3HB ALA 44 -11.042 11.606 16.757 398 H1 GLY -7 1HT GLY -7 15.954 26.657 -20.361 399 H2 GLY -7 2HT GLY -7 16.943 26.992 -21.692 400 H3 GLY -7 3HT GLY -7 16.963 28.015 -20.346 401 HA2 GLY -7 1HA GLY -7 18.244 25.426 -20.742 402 HA3 GLY -7 2HA GLY -7 18.830 26.843 -19.884 403 H ALA -6 H ALA -6 18.890 26.693 -17.737 404 HA ALA -6 HA ALA -6 18.560 25.947 -15.614 405 HB1 ALA -6 1HB ALA -6 16.295 26.881 -16.098 406 HB2 ALA -6 2HB ALA -6 16.312 25.602 -14.885 407 HB3 ALA -6 3HB ALA -6 15.775 25.252 -16.527 408 H MET -5 H MET -5 19.803 24.202 -15.248 409 HA MET -5 HA MET -5 18.908 21.569 -16.215 410 HB2 MET -5 2HB MET -5 21.597 22.570 -15.272 411 HB3 MET -5 1HB MET -5 21.256 20.870 -15.572 412 HG2 MET -5 2HG MET -5 20.753 21.362 -17.896 413 HG3 MET -5 1HG MET -5 21.038 23.077 -17.606 414 HE1 MET -5 3HE MET -5 24.059 19.924 -18.676 415 HE2 MET -5 1HE MET -5 22.345 20.060 -19.068 416 HE3 MET -5 2HE MET -5 22.843 19.484 -17.477 417 H GLY -4 H GLY -4 20.680 22.753 -13.346 418 HA2 GLY -4 2HA GLY -4 19.704 20.627 -11.706 419 HA3 GLY -4 1HA GLY -4 20.611 22.029 -11.160 420 H SER -3 H SER -3 17.381 20.973 -12.152 421 HA SER -3 HA SER -3 16.124 22.252 -9.957 422 HB2 SER -3 2HB SER -3 15.960 23.626 -12.641 423 HB3 SER -3 1HB SER -3 14.745 23.863 -11.386 424 HG SER -3 HG SER -3 16.512 25.418 -11.420 425 H MET -2 H MET -2 15.882 20.772 -13.123 426 HA MET -2 HA MET -2 14.465 19.218 -13.972 427 HB2 MET -2 2HB MET -2 13.168 19.013 -11.255 428 HB3 MET -2 1HB MET -2 13.213 17.803 -12.528 429 HG2 MET -2 2HG MET -2 15.735 17.793 -12.213 430 HG3 MET -2 1HG MET -2 15.439 18.695 -10.728 431 HE1 MET -2 3HE MET -2 16.337 14.748 -10.273 432 HE2 MET -2 1HE MET -2 16.743 16.214 -9.380 433 HE3 MET -2 2HE MET -2 16.982 16.151 -11.126 434 H SER -1 H SER -1 12.407 19.101 -14.900 435 HA SER -1 HA SER -1 10.971 21.606 -14.868 436 HB2 SER -1 2HB SER -1 10.534 19.069 -16.457 437 HB3 SER -1 1HB SER -1 9.638 20.568 -16.694 438 HG SER -1 HG SER -1 12.411 20.128 -17.069 439 H HIS 2 H HIS 2 10.448 18.329 -13.710 440 HA HIS 2 HA HIS 2 8.042 19.263 -12.308 441 HB2 HIS 2 2HB HIS 2 6.775 17.307 -12.964 442 HB3 HIS 2 1HB HIS 2 7.311 18.168 -14.400 443 HD1 HIS 2 1HD HIS 2 8.787 16.916 -16.027 444 HD2 HIS 2 2HD HIS 2 8.149 14.839 -12.485 445 HE1 HIS 2 1HE HIS 2 9.714 14.610 -16.423 446 HE2 HIS 2 2HE HIS 2 9.374 13.391 -14.243 447 H ILE 3 H ILE 3 10.644 16.936 -12.576 448 HA ILE 3 HA ILE 3 11.862 15.971 -10.880 449 HB ILE 3 HB ILE 3 9.571 16.728 -9.068 450 HG12 ILE 3 2HG1 ILE 3 12.440 17.668 -9.087 451 HG13 ILE 3 1HG1 ILE 3 11.148 18.514 -9.931 452 HG21 ILE 3 1HG2 ILE 3 10.520 14.634 -8.298 453 HG22 ILE 3 2HG2 ILE 3 10.976 15.950 -7.221 454 HG23 ILE 3 3HG2 ILE 3 12.142 15.319 -8.384 455 HD11 ILE 3 3HD1 ILE 3 11.956 19.041 -7.409 456 HD12 ILE 3 1HD1 ILE 3 10.597 17.958 -7.114 457 HD13 ILE 3 2HD1 ILE 3 10.364 19.428 -8.060 458 H GLN 4 H GLN 4 11.915 13.988 -11.690 459 HA GLN 4 HA GLN 4 9.882 12.297 -12.351 460 HB2 GLN 4 2HB GLN 4 11.533 10.440 -12.093 461 HB3 GLN 4 1HB GLN 4 12.131 11.813 -13.015 462 HG2 GLN 4 2HG GLN 4 13.458 12.566 -11.193 463 HG3 GLN 4 1HG GLN 4 12.707 11.411 -10.093 464 HE21 GLN 4 1HE2 GLN 4 13.272 9.233 -10.220 465 HE22 GLN 4 2HE2 GLN 4 14.703 8.706 -11.034 466 H ILE 5 H ILE 5 8.575 10.839 -11.386 467 HA ILE 5 HA ILE 5 8.431 10.907 -8.494 468 HB ILE 5 HB ILE 5 6.563 9.716 -10.543 469 HG12 ILE 5 2HG1 ILE 5 6.001 12.173 -8.907 470 HG13 ILE 5 1HG1 ILE 5 6.969 12.304 -10.370 471 HG21 ILE 5 1HG2 ILE 5 4.928 9.589 -8.756 472 HG22 ILE 5 2HG2 ILE 5 6.108 10.196 -7.604 473 HG23 ILE 5 3HG2 ILE 5 6.343 8.619 -8.364 474 HD11 ILE 5 3HD1 ILE 5 5.202 12.101 -11.695 475 HD12 ILE 5 1HD1 ILE 5 4.267 12.490 -10.249 476 HD13 ILE 5 2HD1 ILE 5 4.494 10.807 -10.728 477 HA PRO 6 HA PRO 6 10.324 6.912 -8.011 478 HB2 PRO 6 2HB PRO 6 8.651 6.474 -5.619 479 HB3 PRO 6 1HB PRO 6 10.404 6.646 -5.745 480 HG2 PRO 6 2HG PRO 6 8.882 8.570 -4.659 481 HG3 PRO 6 1HG PRO 6 10.318 8.956 -5.628 482 HD2 PRO 6 2HD PRO 6 7.430 8.987 -6.435 483 HD3 PRO 6 1HD PRO 6 8.690 10.190 -6.760 484 HA PRO 7 HA PRO 7 7.370 3.909 -9.449 485 HB2 PRO 7 2HB PRO 7 8.792 1.671 -9.333 486 HB3 PRO 7 1HB PRO 7 9.325 3.013 -10.355 487 HG2 PRO 7 2HG PRO 7 10.287 2.216 -7.629 488 HG3 PRO 7 1HG PRO 7 11.235 2.689 -9.053 489 HD2 PRO 7 2HD PRO 7 10.570 4.395 -6.976 490 HD3 PRO 7 1HD PRO 7 10.979 4.920 -8.623 491 H GLY 8 H GLY 8 5.832 2.422 -8.765 492 HA2 GLY 8 2HA GLY 8 4.929 0.787 -7.304 493 HA3 GLY 8 1HA GLY 8 6.092 1.264 -6.076 494 H LEU 9 H LEU 9 5.576 4.097 -6.341 495 HA LEU 9 HA LEU 9 3.645 4.464 -4.393 496 HB2 LEU 9 2HB LEU 9 5.225 6.149 -6.148 497 HB3 LEU 9 1HB LEU 9 3.625 6.826 -5.936 498 HG LEU 9 HG LEU 9 5.379 6.040 -3.615 499 HD11 LEU 9 1HD1 LEU 9 5.737 8.560 -3.449 500 HD12 LEU 9 2HD1 LEU 9 5.221 8.627 -5.133 501 HD13 LEU 9 3HD1 LEU 9 6.648 7.693 -4.685 502 HD21 LEU 9 3HD2 LEU 9 3.880 7.661 -2.435 503 HD22 LEU 9 1HD2 LEU 9 3.073 6.203 -3.009 504 HD23 LEU 9 2HD2 LEU 9 2.890 7.717 -3.893 505 H THR 10 H THR 10 3.291 4.621 -7.920 506 HA THR 10 HA THR 10 0.638 5.497 -7.964 507 HB THR 10 HB THR 10 1.656 3.577 -10.035 508 HG1 THR 10 1HG THR 10 3.404 4.834 -9.903 509 HG21 THR 10 3HG2 THR 10 -0.621 4.949 -10.040 510 HG22 THR 10 1HG2 THR 10 0.308 4.656 -11.513 511 HG23 THR 10 2HG2 THR 10 0.444 6.204 -10.678 512 H GLU 11 H GLU 11 1.895 2.171 -8.122 513 HA GLU 11 HA GLU 11 -0.562 0.855 -8.210 514 HB2 GLU 11 2HB GLU 11 1.693 -0.151 -8.647 515 HB3 GLU 11 1HB GLU 11 1.953 -0.185 -6.908 516 HG2 GLU 11 2HG GLU 11 0.090 -1.689 -6.619 517 HG3 GLU 11 1HG GLU 11 -0.293 -1.588 -8.337 518 H LEU 12 H LEU 12 1.410 1.770 -5.393 519 HA LEU 12 HA LEU 12 -0.131 0.517 -3.434 520 HB2 LEU 12 2HB LEU 12 1.842 2.724 -3.488 521 HB3 LEU 12 1HB LEU 12 0.789 2.682 -2.087 522 HG LEU 12 HG LEU 12 2.923 1.537 -1.687 523 HD11 LEU 12 1HD1 LEU 12 2.044 -0.243 -0.500 524 HD12 LEU 12 2HD1 LEU 12 0.822 -0.596 -1.719 525 HD13 LEU 12 3HD1 LEU 12 0.650 0.819 -0.682 526 HD21 LEU 12 3HD2 LEU 12 2.012 -0.268 -3.921 527 HD22 LEU 12 1HD2 LEU 12 3.308 -0.664 -2.793 528 HD23 LEU 12 2HD2 LEU 12 3.467 0.726 -3.864 529 H LEU 13 H LEU 13 -0.308 3.941 -4.468 530 HA LEU 13 HA LEU 13 -2.544 4.596 -2.909 531 HB2 LEU 13 2HB LEU 13 -1.253 5.751 -5.337 532 HB3 LEU 13 1HB LEU 13 -2.856 6.322 -4.918 533 HG LEU 13 HG LEU 13 -2.040 7.024 -2.714 534 HD11 LEU 13 1HD1 LEU 13 0.666 6.157 -3.716 535 HD12 LEU 13 2HD1 LEU 13 -0.267 5.358 -2.451 536 HD13 LEU 13 3HD1 LEU 13 0.333 6.996 -2.202 537 HD21 LEU 13 3HD2 LEU 13 -0.261 8.109 -4.889 538 HD22 LEU 13 1HD2 LEU 13 -0.820 8.938 -3.437 539 HD23 LEU 13 2HD2 LEU 13 -1.965 8.531 -4.713 540 H GLN 14 H GLN 14 -2.257 3.022 -6.010 541 HA GLN 14 HA GLN 14 -4.976 3.258 -6.794 542 HB2 GLN 14 2HB GLN 14 -2.691 1.509 -7.631 543 HB3 GLN 14 1HB GLN 14 -4.310 1.135 -8.197 544 HG2 GLN 14 2HG GLN 14 -4.486 3.290 -9.255 545 HG3 GLN 14 1HG GLN 14 -2.928 3.778 -8.592 546 HE21 GLN 14 1HE2 GLN 14 -4.214 0.979 -10.357 547 HE22 GLN 14 2HE2 GLN 14 -2.952 0.927 -11.536 548 H GLY 15 H GLY 15 -3.164 0.765 -5.050 549 HA2 GLY 15 2HA GLY 15 -5.154 -1.183 -4.897 550 HA3 GLY 15 1HA GLY 15 -3.853 -0.981 -3.737 551 H TYR 16 H TYR 16 -4.623 1.635 -2.839 552 HA TYR 16 HA TYR 16 -6.634 0.845 -0.935 553 HB2 TYR 16 2HB TYR 16 -4.829 2.132 -0.075 554 HB3 TYR 16 1HB TYR 16 -5.016 3.363 -1.318 555 HD1 TYR 16 2HD TYR 16 -6.743 1.862 1.618 556 HD2 TYR 16 1HD TYR 16 -6.320 5.269 -0.893 557 HE1 TYR 16 2HE TYR 16 -8.180 3.153 3.141 558 HE2 TYR 16 1HE TYR 16 -7.757 6.570 0.621 559 HH TYR 16 HH TYR 16 -8.624 5.469 3.729 560 H THR 17 H THR 17 -6.392 3.368 -3.434 561 HA THR 17 HA THR 17 -8.825 4.609 -3.067 562 HB THR 17 HB THR 17 -7.578 4.089 -5.764 563 HG1 THR 17 1HG THR 17 -6.892 5.998 -3.787 564 HG21 THR 17 3HG2 THR 17 -8.592 5.998 -6.531 565 HG22 THR 17 1HG2 THR 17 -8.807 6.665 -4.914 566 HG23 THR 17 2HG2 THR 17 -9.841 5.349 -5.470 567 H VAL 18 H VAL 18 -8.177 1.892 -5.293 568 HA VAL 18 HA VAL 18 -10.657 1.543 -6.391 569 HB VAL 18 HB VAL 18 -10.159 -0.896 -6.546 570 HG11 VAL 18 1HG1 VAL 18 -9.317 0.476 -8.282 571 HG12 VAL 18 2HG1 VAL 18 -8.010 -0.614 -7.824 572 HG13 VAL 18 3HG1 VAL 18 -7.994 1.061 -7.275 573 HG21 VAL 18 3HG2 VAL 18 -9.083 -1.301 -4.449 574 HG22 VAL 18 1HG2 VAL 18 -7.810 -0.140 -4.819 575 HG23 VAL 18 2HG2 VAL 18 -7.918 -1.645 -5.728 576 H GLU 19 H GLU 19 -9.624 0.574 -3.173 577 HA GLU 19 HA GLU 19 -11.981 -0.937 -2.581 578 HB2 GLU 19 2HB GLU 19 -9.799 0.192 -0.830 579 HB3 GLU 19 1HB GLU 19 -11.152 -0.731 -0.191 580 HG2 GLU 19 2HG GLU 19 -10.367 -2.485 -2.006 581 HG3 GLU 19 1HG GLU 19 -8.834 -1.636 -1.821 582 H VAL 20 H VAL 20 -11.002 2.405 -2.128 583 HA VAL 20 HA VAL 20 -13.092 3.164 -0.381 584 HB VAL 20 HB VAL 20 -11.710 4.940 -2.404 585 HG11 VAL 20 1HG1 VAL 20 -13.773 5.805 -1.232 586 HG12 VAL 20 2HG1 VAL 20 -12.310 6.760 -1.005 587 HG13 VAL 20 3HG1 VAL 20 -12.864 5.683 0.273 588 HG21 VAL 20 3HG2 VAL 20 -10.221 5.508 -0.420 589 HG22 VAL 20 1HG2 VAL 20 -9.952 3.946 -1.188 590 HG23 VAL 20 2HG2 VAL 20 -10.840 4.036 0.329 591 H LEU 21 H LEU 21 -12.759 3.232 -3.892 592 HA LEU 21 HA LEU 21 -15.168 4.486 -4.504 593 HB2 LEU 21 2HB LEU 21 -13.482 2.526 -6.035 594 HB3 LEU 21 1HB LEU 21 -14.917 3.261 -6.727 595 HG LEU 21 HG LEU 21 -12.796 5.035 -5.579 596 HD11 LEU 21 1HD1 LEU 21 -12.647 3.600 -8.216 597 HD12 LEU 21 2HD1 LEU 21 -11.440 3.666 -6.932 598 HD13 LEU 21 3HD1 LEU 21 -11.785 5.104 -7.891 599 HD21 LEU 21 3HD2 LEU 21 -14.462 5.437 -8.045 600 HD22 LEU 21 1HD2 LEU 21 -13.660 6.645 -7.042 601 HD23 LEU 21 2HD2 LEU 21 -15.082 5.797 -6.434 602 H ARG 22 H ARG 22 -14.495 0.961 -4.441 603 HA ARG 22 HA ARG 22 -17.186 0.264 -4.964 604 HB2 ARG 22 2HB ARG 22 -16.530 -1.979 -4.676 605 HB3 ARG 22 1HB ARG 22 -15.198 -1.137 -5.456 606 HG2 ARG 22 2HG ARG 22 -14.432 -0.867 -2.904 607 HG3 ARG 22 1HG ARG 22 -15.359 -2.362 -2.768 608 HD2 ARG 22 2HD ARG 22 -13.009 -1.789 -4.534 609 HD3 ARG 22 1HD ARG 22 -13.123 -2.974 -3.233 610 HE ARG 22 HE ARG 22 -14.970 -3.329 -5.429 611 HH11 ARG 22 1HH1 ARG 22 -11.835 -4.176 -4.129 612 HH12 ARG 22 2HH1 ARG 22 -11.733 -5.657 -5.020 613 HH21 ARG 22 1HH2 ARG 22 -14.825 -5.274 -6.596 614 HH22 ARG 22 2HH2 ARG 22 -13.424 -6.278 -6.421 615 H GLN 23 H GLN 23 -15.541 1.014 -1.989 616 HA GLN 23 HA GLN 23 -17.782 -0.125 -0.442 617 HB2 GLN 23 2HB GLN 23 -15.412 -0.832 0.078 618 HB3 GLN 23 1HB GLN 23 -15.125 0.811 0.636 619 HG2 GLN 23 2HG GLN 23 -16.645 0.583 2.417 620 HG3 GLN 23 1HG GLN 23 -17.330 -0.897 1.745 621 HE21 GLN 23 1HE2 GLN 23 -15.613 -2.662 1.419 622 HE22 GLN 23 2HE2 GLN 23 -14.545 -2.918 2.753 623 H GLN 24 H GLN 24 -15.677 2.735 -0.520 624 HA GLN 24 HA GLN 24 -16.049 4.908 -0.019 625 HB2 GLN 24 2HB GLN 24 -19.007 4.319 -0.097 626 HB3 GLN 24 1HB GLN 24 -18.204 5.855 -0.387 627 HG2 GLN 24 2HG GLN 24 -17.202 4.936 -2.425 628 HG3 GLN 24 1HG GLN 24 -18.041 3.413 -2.139 629 HE21 GLN 24 1HE2 GLN 24 -18.755 4.046 -4.388 630 HE22 GLN 24 2HE2 GLN 24 -20.211 4.968 -4.505 631 HA PRO 25 HA PRO 25 -16.883 4.065 4.395 632 HB2 PRO 25 2HB PRO 25 -14.529 4.784 5.395 633 HB3 PRO 25 1HB PRO 25 -14.692 3.274 4.488 634 HG2 PRO 25 2HG PRO 25 -13.563 5.897 3.611 635 HG3 PRO 25 1HG PRO 25 -13.007 4.257 3.241 636 HD2 PRO 25 2HD PRO 25 -14.619 5.864 1.595 637 HD3 PRO 25 1HD PRO 25 -14.363 4.118 1.415 638 HA PRO 26 HA PRO 26 -17.957 8.131 5.758 639 HB2 PRO 26 2HB PRO 26 -16.880 7.628 8.458 640 HB3 PRO 26 1HB PRO 26 -18.548 7.897 7.951 641 HG2 PRO 26 2HG PRO 26 -17.688 5.485 8.760 642 HG3 PRO 26 1HG PRO 26 -18.908 5.666 7.485 643 HD2 PRO 26 2HD PRO 26 -15.974 5.091 7.233 644 HD3 PRO 26 1HD PRO 26 -17.344 4.377 6.358 645 H ASP 27 H ASP 27 -14.743 7.042 6.788 646 HA ASP 27 HA ASP 27 -13.717 9.751 6.256 647 HB2 ASP 27 2HB ASP 27 -13.006 8.005 8.621 648 HB3 ASP 27 1HB ASP 27 -12.166 9.489 8.184 649 H LEU 28 H LEU 28 -11.882 9.851 5.124 650 HA LEU 28 HA LEU 28 -10.879 7.431 3.941 651 HB2 LEU 28 2HB LEU 28 -10.245 10.350 3.618 652 HB3 LEU 28 1HB LEU 28 -9.236 9.124 2.871 653 HG LEU 28 HG LEU 28 -11.214 8.279 1.643 654 HD11 LEU 28 1HD1 LEU 28 -13.020 8.891 3.048 655 HD12 LEU 28 2HD1 LEU 28 -13.207 9.816 1.559 656 HD13 LEU 28 3HD1 LEU 28 -12.566 10.596 3.007 657 HD21 LEU 28 3HD2 LEU 28 -11.385 10.179 0.088 658 HD22 LEU 28 1HD2 LEU 28 -9.720 9.853 0.568 659 HD23 LEU 28 2HD2 LEU 28 -10.594 11.208 1.282 660 H VAL 29 H VAL 29 -9.670 9.891 6.177 661 HA VAL 29 HA VAL 29 -7.053 8.927 6.449 662 HB VAL 29 HB VAL 29 -7.777 11.136 7.278 663 HG11 VAL 29 1HG1 VAL 29 -9.004 11.387 9.328 664 HG12 VAL 29 2HG1 VAL 29 -9.070 9.640 9.551 665 HG13 VAL 29 3HG1 VAL 29 -9.946 10.391 8.220 666 HG21 VAL 29 3HG2 VAL 29 -6.528 9.325 9.343 667 HG22 VAL 29 1HG2 VAL 29 -6.527 11.086 9.424 668 HG23 VAL 29 2HG2 VAL 29 -5.695 10.264 8.106 669 H GLU 30 H GLU 30 -10.052 8.034 8.073 670 HA GLU 30 HA GLU 30 -8.798 6.307 9.980 671 HB2 GLU 30 2HB GLU 30 -11.102 7.445 10.144 672 HB3 GLU 30 1HB GLU 30 -11.682 6.132 9.129 673 HG2 GLU 30 2HG GLU 30 -10.780 4.538 10.834 674 HG3 GLU 30 1HG GLU 30 -10.461 5.928 11.868 675 H PHE 31 H PHE 31 -10.561 5.794 6.939 676 HA PHE 31 HA PHE 31 -10.342 2.972 6.956 677 HB2 PHE 31 2HB PHE 31 -11.975 4.233 5.587 678 HB3 PHE 31 1HB PHE 31 -10.652 4.828 4.590 679 HD1 PHE 31 1HD PHE 31 -11.880 1.547 5.886 680 HD2 PHE 31 2HD PHE 31 -10.371 3.758 2.577 681 HE1 PHE 31 1HE PHE 31 -12.088 -0.450 4.464 682 HE2 PHE 31 2HE PHE 31 -10.578 1.764 1.147 683 HZ PHE 31 HZ PHE 31 -11.437 -0.343 2.092 684 H ALA 32 H ALA 32 -8.154 5.501 6.048 685 HA ALA 32 HA ALA 32 -6.435 3.858 4.441 686 HB1 ALA 32 1HB ALA 32 -4.900 5.820 4.572 687 HB2 ALA 32 2HB ALA 32 -6.090 6.604 5.612 688 HB3 ALA 32 3HB ALA 32 -6.513 6.181 3.951 689 H VAL 33 H VAL 33 -6.251 5.171 7.746 690 HA VAL 33 HA VAL 33 -3.707 4.174 8.335 691 HB VAL 33 HB VAL 33 -5.208 5.822 9.686 692 HG11 VAL 33 1HG1 VAL 33 -6.925 3.947 10.082 693 HG12 VAL 33 2HG1 VAL 33 -6.510 4.998 11.431 694 HG13 VAL 33 3HG1 VAL 33 -5.810 3.382 11.323 695 HG21 VAL 33 3HG2 VAL 33 -2.928 5.377 10.277 696 HG22 VAL 33 1HG2 VAL 33 -3.366 3.825 10.989 697 HG23 VAL 33 2HG2 VAL 33 -3.906 5.325 11.744 698 H GLU 34 H GLU 34 -6.832 2.623 8.365 699 HA GLU 34 HA GLU 34 -5.959 0.275 9.777 700 HB2 GLU 34 2HB GLU 34 -8.447 0.850 8.163 701 HB3 GLU 34 1HB GLU 34 -8.176 -0.639 9.055 702 HG2 GLU 34 2HG GLU 34 -8.005 0.671 11.134 703 HG3 GLU 34 1HG GLU 34 -8.370 2.130 10.216 704 H TYR 35 H TYR 35 -6.618 1.105 6.400 705 HA TYR 35 HA TYR 35 -6.215 -1.421 5.266 706 HB2 TYR 35 2HB TYR 35 -7.224 0.412 4.019 707 HB3 TYR 35 1HB TYR 35 -5.721 1.323 4.091 708 HD1 TYR 35 1HD TYR 35 -3.675 0.344 2.901 709 HD2 TYR 35 2HD TYR 35 -7.635 -1.069 2.234 710 HE1 TYR 35 1HE TYR 35 -2.955 -0.652 0.774 711 HE2 TYR 35 2HE TYR 35 -6.921 -2.067 0.100 712 HH TYR 35 HH TYR 35 -4.830 -2.875 -0.945 713 H PHE 36 H PHE 36 -3.880 1.290 5.440 714 HA PHE 36 HA PHE 36 -1.719 -0.152 4.418 715 HB2 PHE 36 2HB PHE 36 -1.945 2.332 6.084 716 HB3 PHE 36 1HB PHE 36 -0.358 1.642 5.750 717 HD1 PHE 36 2HD PHE 36 0.236 1.200 3.300 718 HD2 PHE 36 1HD PHE 36 -2.951 3.747 4.515 719 HE1 PHE 36 2HE PHE 36 0.273 2.291 1.096 720 HE2 PHE 36 1HE PHE 36 -2.922 4.840 2.309 721 HZ PHE 36 HZ PHE 36 -1.306 4.110 0.596 722 H THR 37 H THR 37 -2.718 0.329 7.800 723 HA THR 37 HA THR 37 -0.542 -1.007 8.975 724 HB THR 37 HB THR 37 -2.147 -1.384 10.906 725 HG1 THR 37 1HG THR 37 -3.906 0.151 9.307 726 HG21 THR 37 3HG2 THR 37 -1.687 1.337 9.760 727 HG22 THR 37 1HG2 THR 37 -0.918 0.563 11.145 728 HG23 THR 37 2HG2 THR 37 -2.590 1.113 11.258 729 H ARG 38 H ARG 38 -3.669 -2.171 7.832 730 HA ARG 38 HA ARG 38 -3.491 -4.828 8.686 731 HB2 ARG 38 2HB ARG 38 -4.908 -3.507 6.388 732 HB3 ARG 38 1HB ARG 38 -4.956 -5.256 6.565 733 HG2 ARG 38 2HG ARG 38 -5.711 -3.489 8.862 734 HG3 ARG 38 1HG ARG 38 -6.862 -3.810 7.564 735 HD2 ARG 38 2HD ARG 38 -5.436 -6.034 8.997 736 HD3 ARG 38 1HD ARG 38 -6.925 -5.333 9.626 737 HE ARG 38 HE ARG 38 -6.674 -7.150 7.445 738 HH11 ARG 38 1HH1 ARG 38 -8.589 -4.488 8.652 739 HH12 ARG 38 2HH1 ARG 38 -10.014 -4.965 7.791 740 HH21 ARG 38 1HH2 ARG 38 -8.548 -7.773 6.317 741 HH22 ARG 38 2HH2 ARG 38 -9.992 -6.827 6.467 742 H LEU 39 H LEU 39 -2.295 -3.271 5.754 743 HA LEU 39 HA LEU 39 -1.364 -5.573 4.445 744 HB2 LEU 39 2HB LEU 39 -1.560 -3.026 3.705 745 HB3 LEU 39 1HB LEU 39 0.133 -3.003 4.158 746 HG LEU 39 HG LEU 39 -1.093 -4.861 2.114 747 HD11 LEU 39 1HD1 LEU 39 0.600 -2.391 1.767 748 HD12 LEU 39 2HD1 LEU 39 -1.100 -2.568 1.329 749 HD13 LEU 39 3HD1 LEU 39 0.133 -3.500 0.479 750 HD21 LEU 39 3HD2 LEU 39 1.311 -5.283 1.547 751 HD22 LEU 39 1HD2 LEU 39 0.796 -5.920 3.108 752 HD23 LEU 39 2HD2 LEU 39 1.745 -4.436 3.032 753 H ARG 40 H ARG 40 0.390 -3.262 6.516 754 HA ARG 40 HA ARG 40 2.860 -4.560 6.490 755 HB2 ARG 40 2HB ARG 40 2.402 -2.257 7.320 756 HB3 ARG 40 1HB ARG 40 1.670 -2.957 8.755 757 HG2 ARG 40 2HG ARG 40 3.659 -3.474 9.693 758 HG3 ARG 40 1HG ARG 40 4.401 -3.894 8.150 759 HD2 ARG 40 2HD ARG 40 3.792 -1.036 8.430 760 HD3 ARG 40 1HD ARG 40 4.949 -1.641 9.614 761 HE ARG 40 HE ARG 40 5.456 -1.145 6.894 762 HH11 ARG 40 1HH1 ARG 40 6.155 -3.483 9.387 763 HH12 ARG 40 2HH1 ARG 40 7.647 -3.989 8.669 764 HH21 ARG 40 1HH2 ARG 40 7.418 -1.813 5.944 765 HH22 ARG 40 2HH2 ARG 40 8.365 -3.040 6.716 766 H GLU 41 H GLU 41 0.145 -4.869 8.763 767 HA GLU 41 HA GLU 41 1.313 -6.647 10.554 768 HB2 GLU 41 2HB GLU 41 -1.560 -6.290 9.709 769 HB3 GLU 41 1HB GLU 41 -1.082 -7.377 11.005 770 HG2 GLU 41 2HG GLU 41 -0.382 -4.455 10.994 771 HG3 GLU 41 1HG GLU 41 -1.876 -5.082 11.690 772 H ALA 42 H ALA 42 -0.217 -7.243 7.445 773 HA ALA 42 HA ALA 42 -0.387 -10.055 7.659 774 HB1 ALA 42 1HB ALA 42 -0.656 -10.034 5.227 775 HB2 ALA 42 2HB ALA 42 -0.153 -8.344 5.184 776 HB3 ALA 42 3HB ALA 42 -1.652 -8.799 5.996 777 H ARG 43 H ARG 43 2.142 -7.886 6.507 778 HA ARG 43 HA ARG 43 3.896 -10.156 5.933 779 HB2 ARG 43 2HB ARG 43 5.358 -8.533 4.860 780 HB3 ARG 43 1HB ARG 43 3.730 -8.461 4.204 781 HG2 ARG 43 2HG ARG 43 3.304 -6.390 5.107 782 HG3 ARG 43 1HG ARG 43 4.488 -6.586 6.400 783 HD2 ARG 43 2HD ARG 43 5.490 -6.562 3.608 784 HD3 ARG 43 1HD ARG 43 4.935 -5.032 4.289 785 HE ARG 43 HE ARG 43 6.697 -6.358 6.074 786 HH11 ARG 43 1HH1 ARG 43 6.660 -4.505 3.115 787 HH12 ARG 43 2HH1 ARG 43 8.263 -3.889 3.335 788 HH21 ARG 43 1HH2 ARG 43 8.804 -5.548 6.364 789 HH22 ARG 43 2HH2 ARG 43 9.481 -4.481 5.179 790 H ALA 44 H ALA 44 6.341 -9.449 6.450 791 HA ALA 44 HA ALA 44 6.745 -9.761 9.152 792 HB1 ALA 44 1HB ALA 44 8.506 -10.163 7.559 793 HB2 ALA 44 2HB ALA 44 9.058 -8.976 8.742 794 HB3 ALA 44 3HB ALA 44 8.560 -8.452 7.133 795 H1 ALA 578 1HT ALA 578 2.311 -19.391 -26.773 796 H2 ALA 578 2HT ALA 578 0.987 -18.299 -26.805 797 H3 ALA 578 3HT ALA 578 0.839 -19.852 -27.521 798 HA ALA 578 HA ALA 578 -0.265 -20.063 -25.563 799 HB1 ALA 578 2HB ALA 578 2.549 -20.939 -24.929 800 HB2 ALA 578 3HB ALA 578 1.442 -21.815 -25.986 801 HB3 ALA 578 1HB ALA 578 1.052 -21.608 -24.279 802 H MET 579 H MET 579 -0.910 -19.081 -23.744 803 HA MET 579 HA MET 579 0.401 -16.741 -22.817 804 HB2 MET 579 2HB MET 579 -1.861 -18.335 -21.599 805 HB3 MET 579 1HB MET 579 -1.349 -16.744 -21.054 806 HG2 MET 579 2HG MET 579 -1.903 -15.825 -23.261 807 HG3 MET 579 1HG MET 579 -2.460 -17.419 -23.768 808 HE1 MET 579 3HE MET 579 -5.662 -18.066 -22.050 809 HE2 MET 579 1HE MET 579 -4.217 -18.684 -22.853 810 HE3 MET 579 2HE MET 579 -5.345 -17.657 -23.736 811 H ALA 580 H ALA 580 -0.073 -19.955 -21.368 812 HA ALA 580 HA ALA 580 1.031 -21.068 -19.721 813 HB1 ALA 580 1HB ALA 580 2.929 -20.645 -21.288 814 HB2 ALA 580 2HB ALA 580 3.405 -20.835 -19.600 815 HB3 ALA 580 3HB ALA 580 3.339 -19.227 -20.322 816 H ASP 581 H ASP 581 -0.294 -20.343 -18.038 817 HA ASP 581 HA ASP 581 0.628 -18.019 -16.492 818 HB2 ASP 581 2HB ASP 581 -1.539 -18.242 -15.302 819 HB3 ASP 581 1HB ASP 581 -1.738 -18.010 -17.037 820 H ILE 582 H ILE 582 0.610 -18.227 -14.110 821 HA ILE 582 HA ILE 582 2.105 -20.557 -13.311 822 HB ILE 582 HB ILE 582 1.123 -18.289 -11.574 823 HG12 ILE 582 2HG1 ILE 582 2.447 -17.363 -13.379 824 HG13 ILE 582 1HG1 ILE 582 3.406 -17.347 -11.902 825 HG21 ILE 582 1HG2 ILE 582 3.272 -20.366 -11.199 826 HG22 ILE 582 2HG2 ILE 582 1.799 -20.161 -10.250 827 HG23 ILE 582 3HG2 ILE 582 3.076 -18.948 -10.168 828 HD11 ILE 582 3HD1 ILE 582 3.681 -19.123 -14.295 829 HD12 ILE 582 1HD1 ILE 582 4.397 -19.545 -12.740 830 HD13 ILE 582 2HD1 ILE 582 4.878 -18.058 -13.557 831 H GLY 583 H GLY 583 -1.130 -19.276 -12.768 832 HA2 GLY 583 2HA GLY 583 -2.158 -21.842 -12.088 833 HA3 GLY 583 1HA GLY 583 -1.973 -20.849 -10.650 834 H SER 584 H SER 584 -2.760 -18.414 -11.300 835 HA SER 584 HA SER 584 -5.094 -18.312 -12.940 836 HB2 SER 584 2HB SER 584 -5.470 -18.399 -9.937 837 HB3 SER 584 1HB SER 584 -6.711 -17.887 -11.081 838 HG SER 584 HG SER 584 -6.603 -20.211 -10.328 839 H ALA 585 H ALA 585 -5.103 -16.298 -13.694 840 HA ALA 585 HA ALA 585 -3.607 -14.210 -12.408 841 HB1 ALA 585 1HB ALA 585 -3.591 -14.347 -14.812 842 HB2 ALA 585 2HB ALA 585 -4.353 -12.833 -14.325 843 HB3 ALA 585 3HB ALA 585 -5.346 -14.184 -14.870 844 H SER 586 H SER 586 -7.046 -14.707 -13.181 845 HA SER 586 HA SER 586 -8.951 -13.823 -12.315 846 HB2 SER 586 2HB SER 586 -9.095 -13.632 -9.984 847 HB3 SER 586 1HB SER 586 -7.757 -14.758 -10.211 848 HG SER 586 HG SER 586 -7.701 -12.054 -9.437 849 H GLY 587 H GLY 587 -9.538 -12.041 -13.400 850 HA2 GLY 587 2HA GLY 587 -8.030 -9.619 -13.403 851 HA3 GLY 587 1HA GLY 587 -9.634 -9.844 -14.083 852 H TYR 588 H TYR 588 -7.978 -9.506 -10.956 853 HA TYR 588 HA TYR 588 -10.137 -8.957 -9.353 854 HB2 TYR 588 2HB TYR 588 -7.627 -9.201 -8.766 855 HB3 TYR 588 1HB TYR 588 -7.548 -7.460 -9.014 856 HD1 TYR 588 2HD TYR 588 -9.819 -9.874 -7.262 857 HD2 TYR 588 1HD TYR 588 -7.655 -6.213 -7.061 858 HE1 TYR 588 2HE TYR 588 -10.612 -9.535 -4.961 859 HE2 TYR 588 1HE TYR 588 -8.443 -5.868 -4.759 860 HH TYR 588 HH TYR 588 -10.030 -8.331 -2.970 861 H VAL 589 H VAL 589 -11.088 -7.058 -8.568 862 HA VAL 589 HA VAL 589 -11.959 -4.956 -8.647 863 HB VAL 589 HB VAL 589 -9.924 -4.097 -10.690 864 HG11 VAL 589 1HG1 VAL 589 -11.459 -2.769 -8.484 865 HG12 VAL 589 2HG1 VAL 589 -11.363 -2.339 -10.190 866 HG13 VAL 589 3HG1 VAL 589 -9.986 -2.046 -9.129 867 HG21 VAL 589 3HG2 VAL 589 -8.402 -5.111 -9.285 868 HG22 VAL 589 1HG2 VAL 589 -9.413 -4.896 -7.856 869 HG23 VAL 589 2HG2 VAL 589 -8.532 -3.526 -8.528 870 HA PRO 590 HA PRO 590 -14.441 -5.665 -12.334 871 HB2 PRO 590 2HB PRO 590 -16.604 -4.218 -11.648 872 HB3 PRO 590 1HB PRO 590 -16.225 -5.762 -10.874 873 HG2 PRO 590 2HG PRO 590 -15.690 -2.983 -9.906 874 HG3 PRO 590 1HG PRO 590 -16.352 -4.365 -9.013 875 HD2 PRO 590 2HD PRO 590 -13.737 -3.614 -8.862 876 HD3 PRO 590 1HD PRO 590 -14.273 -5.294 -8.666 877 H GLU 591 H GLU 591 -13.505 -4.715 -14.005 878 HA GLU 591 HA GLU 591 -12.492 -2.910 -15.165 879 HB2 GLU 591 2HB GLU 591 -15.436 -3.169 -15.691 880 HB3 GLU 591 1HB GLU 591 -14.394 -2.171 -16.698 881 HG2 GLU 591 2HG GLU 591 -13.095 -4.061 -17.349 882 HG3 GLU 591 1HG GLU 591 -13.915 -5.094 -16.180 883 H GLU 592 H GLU 592 -15.662 -1.400 -14.570 884 HA GLU 592 HA GLU 592 -14.884 1.184 -14.765 885 HB2 GLU 592 2HB GLU 592 -17.065 0.014 -13.050 886 HB3 GLU 592 1HB GLU 592 -16.901 1.732 -13.390 887 HG2 GLU 592 2HG GLU 592 -17.026 1.142 -15.834 888 HG3 GLU 592 1HG GLU 592 -17.482 -0.485 -15.331 889 H ILE 593 H ILE 593 -14.625 -0.779 -11.841 890 HA ILE 593 HA ILE 593 -14.042 1.440 -10.138 891 HB ILE 593 HB ILE 593 -13.589 -1.519 -9.757 892 HG12 ILE 593 2HG1 ILE 593 -15.948 -0.618 -9.802 893 HG13 ILE 593 1HG1 ILE 593 -15.496 -1.442 -8.316 894 HG21 ILE 593 1HG2 ILE 593 -13.258 -0.887 -7.324 895 HG22 ILE 593 2HG2 ILE 593 -13.020 0.767 -7.885 896 HG23 ILE 593 3HG2 ILE 593 -11.924 -0.506 -8.411 897 HD11 ILE 593 3HD1 ILE 593 -16.648 1.065 -8.555 898 HD12 ILE 593 1HD1 ILE 593 -14.970 1.390 -8.123 899 HD13 ILE 593 2HD1 ILE 593 -15.956 0.346 -7.103 900 H TRP 594 H TRP 594 -12.161 -0.574 -12.257 901 HA TRP 594 HA TRP 594 -9.636 0.177 -11.101 902 HB2 TRP 594 2HB TRP 594 -9.952 -2.006 -12.248 903 HB3 TRP 594 1HB TRP 594 -10.162 -1.138 -13.769 904 HD1 TRP 594 HD TRP 594 -8.006 -0.849 -15.139 905 HE1 TRP 594 1HE TRP 594 -5.484 -0.904 -14.627 906 HE3 TRP 594 3HE TRP 594 -8.223 -1.440 -10.081 907 HZ2 TRP 594 2HZ TRP 594 -3.808 -1.182 -12.362 908 HZ3 TRP 594 3HZ TRP 594 -6.131 -1.590 -8.811 909 HH2 TRP 594 HH TRP 594 -3.978 -1.468 -9.925 910 H LYS 595 H LYS 595 -11.381 0.969 -14.091 911 HA LYS 595 HA LYS 595 -9.470 2.680 -15.181 912 HB2 LYS 595 2HB LYS 595 -12.401 2.303 -15.482 913 HB3 LYS 595 1HB LYS 595 -11.772 3.855 -16.017 914 HG2 LYS 595 2HG LYS 595 -10.452 2.898 -17.674 915 HG3 LYS 595 1HG LYS 595 -10.506 1.299 -16.932 916 HD2 LYS 595 2HD LYS 595 -13.124 2.414 -17.748 917 HD3 LYS 595 1HD LYS 595 -12.013 2.041 -19.065 918 HE2 LYS 595 2HE LYS 595 -12.629 0.069 -16.880 919 HE3 LYS 595 1HE LYS 595 -13.612 0.198 -18.338 920 HZ1 LYS 595 3HZ LYS 595 -11.541 -1.422 -18.160 921 HZ2 LYS 595 1HZ LYS 595 -10.730 -0.042 -18.711 922 HZ3 LYS 595 2HZ LYS 595 -11.997 -0.697 -19.620 923 H LYS 596 H LYS 596 -12.126 3.372 -12.901 924 HA LYS 596 HA LYS 596 -11.635 6.136 -12.761 925 HB2 LYS 596 2HB LYS 596 -13.182 4.153 -11.154 926 HB3 LYS 596 1HB LYS 596 -12.905 5.743 -10.463 927 HG2 LYS 596 2HG LYS 596 -13.952 5.609 -13.243 928 HG3 LYS 596 1HG LYS 596 -15.046 5.190 -11.924 929 HD2 LYS 596 2HD LYS 596 -14.856 7.323 -10.945 930 HD3 LYS 596 1HD LYS 596 -13.432 7.730 -11.905 931 HE2 LYS 596 2HE LYS 596 -15.943 7.116 -13.374 932 HE3 LYS 596 1HE LYS 596 -15.866 8.644 -12.495 933 HZ1 LYS 596 3HZ LYS 596 -15.087 9.093 -14.645 934 HZ2 LYS 596 1HZ LYS 596 -14.103 7.716 -14.685 935 HZ3 LYS 596 2HZ LYS 596 -13.695 9.019 -13.687 936 H ALA 597 H ALA 597 -10.849 3.622 -10.282 937 HA ALA 597 HA ALA 597 -9.532 5.194 -8.496 938 HB1 ALA 597 1HB ALA 597 -10.080 2.666 -8.468 939 HB2 ALA 597 2HB ALA 597 -8.685 3.255 -7.567 940 HB3 ALA 597 3HB ALA 597 -8.458 2.477 -9.133 941 H GLU 598 H GLU 598 -8.235 3.834 -11.475 942 HA GLU 598 HA GLU 598 -5.530 4.476 -11.018 943 HB2 GLU 598 2HB GLU 598 -6.878 3.120 -12.993 944 HB3 GLU 598 1HB GLU 598 -6.388 4.577 -13.843 945 HG2 GLU 598 2HG GLU 598 -4.048 4.100 -12.936 946 HG3 GLU 598 1HG GLU 598 -4.671 2.500 -12.531 947 H GLU 599 H GLU 599 -8.199 6.331 -12.340 948 HA GLU 599 HA GLU 599 -6.694 8.507 -13.336 949 HB2 GLU 599 2HB GLU 599 -9.105 8.029 -13.854 950 HB3 GLU 599 1HB GLU 599 -9.511 8.610 -12.245 951 HG2 GLU 599 2HG GLU 599 -8.753 10.808 -12.765 952 HG3 GLU 599 1HG GLU 599 -8.070 10.268 -14.298 953 H ALA 600 H ALA 600 -8.251 7.948 -10.184 954 HA ALA 600 HA ALA 600 -7.754 10.399 -8.998 955 HB1 ALA 600 1HB ALA 600 -7.585 7.803 -7.504 956 HB2 ALA 600 2HB ALA 600 -9.110 8.456 -8.102 957 HB3 ALA 600 3HB ALA 600 -8.160 9.368 -6.929 958 H VAL 601 H VAL 601 -5.655 7.533 -9.036 959 HA VAL 601 HA VAL 601 -3.611 8.707 -7.473 960 HB VAL 601 HB VAL 601 -3.328 6.398 -9.392 961 HG11 VAL 601 1HG1 VAL 601 -1.674 7.433 -7.109 962 HG12 VAL 601 2HG1 VAL 601 -1.177 7.039 -8.756 963 HG13 VAL 601 3HG1 VAL 601 -1.587 5.750 -7.628 964 HG21 VAL 601 3HG2 VAL 601 -4.586 6.644 -6.709 965 HG22 VAL 601 1HG2 VAL 601 -3.611 5.210 -7.016 966 HG23 VAL 601 2HG2 VAL 601 -4.988 5.575 -8.053 967 H ASN 602 H ASN 602 -4.021 8.351 -10.970 968 HA ASN 602 HA ASN 602 -1.485 9.418 -11.667 969 HB2 ASN 602 2HB ASN 602 -4.075 9.211 -13.215 970 HB3 ASN 602 1HB ASN 602 -2.575 9.807 -13.920 971 HD21 ASN 602 1HD2 ASN 602 -1.798 8.286 -15.204 972 HD22 ASN 602 2HD2 ASN 602 -1.662 6.607 -14.822 973 H GLU 603 H GLU 603 -4.656 10.844 -11.125 974 HA GLU 603 HA GLU 603 -3.967 13.464 -11.988 975 HB2 GLU 603 2HB GLU 603 -6.185 12.370 -10.266 976 HB3 GLU 603 1HB GLU 603 -6.029 14.090 -10.592 977 HG2 GLU 603 2HG GLU 603 -6.163 12.072 -12.805 978 HG3 GLU 603 1HG GLU 603 -7.615 12.735 -12.057 979 H VAL 604 H VAL 604 -4.394 12.154 -8.663 980 HA VAL 604 HA VAL 604 -3.455 14.463 -7.392 981 HB VAL 604 HB VAL 604 -4.746 12.668 -6.265 982 HG11 VAL 604 1HG1 VAL 604 -3.860 10.621 -5.672 983 HG12 VAL 604 2HG1 VAL 604 -2.192 11.179 -5.818 984 HG13 VAL 604 3HG1 VAL 604 -3.146 10.861 -7.266 985 HG21 VAL 604 3HG2 VAL 604 -3.565 14.418 -5.027 986 HG22 VAL 604 1HG2 VAL 604 -2.133 13.393 -4.953 987 HG23 VAL 604 2HG2 VAL 604 -3.609 12.902 -4.134 988 H LYS 605 H LYS 605 -1.790 11.812 -8.844 989 HA LYS 605 HA LYS 605 0.743 12.272 -7.576 990 HB2 LYS 605 2HB LYS 605 0.226 10.076 -8.447 991 HB3 LYS 605 1HB LYS 605 -0.026 10.725 -10.060 992 HG2 LYS 605 2HG LYS 605 2.227 10.989 -10.456 993 HG3 LYS 605 1HG LYS 605 2.633 11.061 -8.742 994 HD2 LYS 605 2HD LYS 605 1.520 8.546 -9.953 995 HD3 LYS 605 1HD LYS 605 3.233 8.927 -10.100 996 HE2 LYS 605 2HE LYS 605 3.217 7.644 -8.184 997 HE3 LYS 605 1HE LYS 605 3.086 9.263 -7.502 998 HZ1 LYS 605 3HZ LYS 605 0.572 7.967 -8.133 999 HZ2 LYS 605 1HZ LYS 605 1.011 8.879 -6.778 1000 HZ3 LYS 605 2HZ LYS 605 1.456 7.251 -6.883 1001 H ARG 606 H ARG 606 -0.635 12.994 -10.759 1002 HA ARG 606 HA ARG 606 1.567 14.367 -11.818 1003 HB2 ARG 606 2HB ARG 606 -0.296 13.689 -13.224 1004 HB3 ARG 606 1HB ARG 606 -1.398 14.713 -12.318 1005 HG2 ARG 606 2HG ARG 606 -0.982 15.857 -14.316 1006 HG3 ARG 606 1HG ARG 606 0.005 16.679 -13.113 1007 HD2 ARG 606 2HD ARG 606 1.924 15.229 -13.868 1008 HD3 ARG 606 1HD ARG 606 0.898 14.699 -15.197 1009 HE ARG 606 HE ARG 606 1.309 16.679 -16.247 1010 HH11 ARG 606 1HH1 ARG 606 2.103 17.054 -12.864 1011 HH12 ARG 606 2HH1 ARG 606 2.775 18.635 -13.073 1012 HH21 ARG 606 1HH2 ARG 606 2.192 18.757 -16.515 1013 HH22 ARG 606 2HH2 ARG 606 2.826 19.602 -15.143 1014 H GLN 607 H GLN 607 -0.849 15.251 -9.496 1015 HA GLN 607 HA GLN 607 -0.372 18.082 -9.618 1016 HB2 GLN 607 2HB GLN 607 -2.113 16.258 -8.065 1017 HB3 GLN 607 1HB GLN 607 -1.666 17.751 -7.256 1018 HG2 GLN 607 2HG GLN 607 -3.664 18.274 -8.295 1019 HG3 GLN 607 1HG GLN 607 -2.455 18.922 -9.399 1020 HE21 GLN 607 1HE2 GLN 607 -4.831 16.443 -8.870 1021 HE22 GLN 607 2HE2 GLN 607 -4.917 15.893 -10.506 1022 H ALA 608 H ALA 608 0.375 15.611 -7.079 1023 HA ALA 608 HA ALA 608 1.609 17.196 -5.243 1024 HB1 ALA 608 1HB ALA 608 2.732 15.236 -4.453 1025 HB2 ALA 608 2HB ALA 608 2.536 14.444 -6.016 1026 HB3 ALA 608 3HB ALA 608 1.124 14.779 -5.016 1027 H MET 609 H MET 609 3.018 15.961 -8.222 1028 HA MET 609 HA MET 609 5.675 16.790 -7.546 1029 HB2 MET 609 2HB MET 609 6.381 16.160 -9.677 1030 HB3 MET 609 1HB MET 609 5.087 15.036 -9.279 1031 HG2 MET 609 2HG MET 609 3.661 16.893 -10.582 1032 HG3 MET 609 1HG MET 609 5.224 17.128 -11.358 1033 HE1 MET 609 3HE MET 609 4.600 16.683 -13.521 1034 HE2 MET 609 1HE MET 609 4.160 15.136 -14.244 1035 HE3 MET 609 2HE MET 609 5.801 15.400 -13.666 1036 H THR 610 H THR 610 2.944 18.412 -8.999 1037 HA THR 610 HA THR 610 4.399 20.629 -10.056 1038 HB THR 610 HB THR 610 1.522 20.138 -9.360 1039 HG1 THR 610 1HG THR 610 2.072 19.514 -11.378 1040 HG21 THR 610 3HG2 THR 610 1.636 22.372 -8.636 1041 HG22 THR 610 1HG2 THR 610 1.010 22.420 -10.284 1042 HG23 THR 610 2HG2 THR 610 2.697 22.828 -9.971 1043 H GLU 611 H GLU 611 2.957 19.836 -6.953 1044 HA GLU 611 HA GLU 611 3.350 22.340 -5.692 1045 HB2 GLU 611 2HB GLU 611 3.145 19.530 -4.619 1046 HB3 GLU 611 1HB GLU 611 3.367 20.914 -3.560 1047 HG2 GLU 611 2HG GLU 611 1.099 20.692 -5.516 1048 HG3 GLU 611 1HG GLU 611 1.004 20.111 -3.854 1049 H LEU 612 H LEU 612 5.444 19.845 -6.631 1050 HA LEU 612 HA LEU 612 7.646 20.530 -4.887 1051 HB2 LEU 612 2HB LEU 612 6.947 18.373 -6.689 1052 HB3 LEU 612 1HB LEU 612 8.574 18.917 -7.005 1053 HG LEU 612 HG LEU 612 9.090 18.573 -4.590 1054 HD11 LEU 612 1HD1 LEU 612 6.700 18.755 -3.849 1055 HD12 LEU 612 2HD1 LEU 612 7.591 17.394 -3.171 1056 HD13 LEU 612 3HD1 LEU 612 6.452 17.131 -4.490 1057 HD21 LEU 612 3HD2 LEU 612 9.893 16.618 -5.284 1058 HD22 LEU 612 1HD2 LEU 612 8.790 16.647 -6.661 1059 HD23 LEU 612 2HD2 LEU 612 8.296 15.892 -5.146 1060 H GLN 613 H GLN 613 6.844 20.862 -8.326 1061 HA GLN 613 HA GLN 613 9.254 22.117 -9.081 1062 HB2 GLN 613 2HB GLN 613 7.668 21.072 -10.673 1063 HB3 GLN 613 1HB GLN 613 6.527 22.372 -10.363 1064 HG2 GLN 613 2HG GLN 613 7.805 22.645 -12.459 1065 HG3 GLN 613 1HG GLN 613 7.996 23.987 -11.333 1066 HE21 GLN 613 1HE2 GLN 613 9.531 20.800 -11.656 1067 HE22 GLN 613 2HE2 GLN 613 11.152 21.395 -11.678 1068 H LYS 614 H LYS 614 6.617 23.260 -7.259 1069 HA LYS 614 HA LYS 614 7.789 25.895 -7.105 1070 HB2 LYS 614 2HB LYS 614 5.587 27.022 -7.632 1071 HB3 LYS 614 1HB LYS 614 6.434 26.326 -9.008 1072 HG2 LYS 614 2HG LYS 614 4.944 24.494 -9.123 1073 HG3 LYS 614 1HG LYS 614 4.237 24.879 -7.554 1074 HD2 LYS 614 2HD LYS 614 2.689 25.597 -9.210 1075 HD3 LYS 614 1HD LYS 614 3.450 27.049 -8.557 1076 HE2 LYS 614 2HE LYS 614 4.875 27.242 -10.470 1077 HE3 LYS 614 1HE LYS 614 4.357 25.671 -11.080 1078 HZ1 LYS 614 3HZ LYS 614 2.047 27.130 -10.784 1079 HZ2 LYS 614 1HZ LYS 614 2.835 26.768 -12.238 1080 HZ3 LYS 614 2HZ LYS 614 3.157 28.224 -11.440 1081 H ALA 615 H ALA 615 7.903 24.438 -5.033 1082 HA ALA 615 HA ALA 615 5.575 24.244 -3.411 1083 HB1 ALA 615 1HB ALA 615 7.555 22.805 -3.122 1084 HB2 ALA 615 2HB ALA 615 7.086 23.618 -1.628 1085 HB3 ALA 615 3HB ALA 615 8.467 24.204 -2.557 Start of MODEL 8 1 H1 GLY -7 1HT GLY -7 -34.827 14.910 -9.455 2 H2 GLY -7 2HT GLY -7 -34.844 16.005 -10.744 3 H3 GLY -7 3HT GLY -7 -33.595 14.874 -10.614 4 HA2 GLY -7 1HA GLY -7 -35.801 13.303 -10.622 5 HA3 GLY -7 2HA GLY -7 -36.225 14.588 -11.741 6 H ALA -6 H ALA -6 -33.128 12.980 -11.040 7 HA ALA -6 HA ALA -6 -32.395 12.881 -13.782 8 HB1 ALA -6 1HB ALA -6 -30.778 12.966 -11.907 9 HB2 ALA -6 2HB ALA -6 -30.456 11.659 -13.047 10 HB3 ALA -6 3HB ALA -6 -31.217 11.308 -11.495 11 H MET -5 H MET -5 -32.475 11.241 -15.252 12 HA MET -5 HA MET -5 -34.345 9.086 -14.704 13 HB2 MET -5 2HB MET -5 -34.094 8.596 -17.132 14 HB3 MET -5 1HB MET -5 -34.634 10.233 -16.795 15 HG2 MET -5 2HG MET -5 -31.713 9.850 -17.087 16 HG3 MET -5 1HG MET -5 -32.682 9.637 -18.541 17 HE1 MET -5 3HE MET -5 -30.803 13.270 -18.101 18 HE2 MET -5 1HE MET -5 -30.376 11.560 -18.033 19 HE3 MET -5 2HE MET -5 -30.755 12.433 -16.549 20 H GLY -4 H GLY -4 -30.954 9.555 -14.774 21 HA2 GLY -4 2HA GLY -4 -29.452 7.937 -13.896 22 HA3 GLY -4 1HA GLY -4 -30.551 6.666 -14.410 23 H SER -3 H SER -3 -27.939 8.747 -15.319 24 HA SER -3 HA SER -3 -27.331 7.035 -17.578 25 HB2 SER -3 2HB SER -3 -28.838 8.748 -18.554 26 HB3 SER -3 1HB SER -3 -27.740 10.009 -17.992 27 HG SER -3 HG SER -3 -27.440 9.337 -20.218 28 H MET -2 H MET -2 -25.171 7.035 -18.114 29 HA MET -2 HA MET -2 -22.935 7.223 -17.738 30 HB2 MET -2 2HB MET -2 -23.705 10.097 -17.207 31 HB3 MET -2 1HB MET -2 -22.063 9.526 -17.464 32 HG2 MET -2 2HG MET -2 -24.273 9.221 -19.478 33 HG3 MET -2 1HG MET -2 -23.146 10.575 -19.450 34 HE1 MET -2 3HE MET -2 -23.197 8.921 -22.235 35 HE2 MET -2 1HE MET -2 -21.445 9.021 -22.403 36 HE3 MET -2 2HE MET -2 -22.340 10.365 -21.694 37 H SER -1 H SER -1 -24.781 6.660 -15.445 38 HA SER -1 HA SER -1 -23.116 7.601 -13.203 39 HB2 SER -1 2HB SER -1 -25.926 6.478 -13.236 40 HB3 SER -1 1HB SER -1 -25.036 6.902 -11.774 41 HG SER -1 HG SER -1 -25.724 8.674 -13.883 42 H HIS 2 H HIS 2 -22.206 6.175 -11.780 43 HA HIS 2 HA HIS 2 -22.678 3.481 -11.449 44 HB2 HIS 2 2HB HIS 2 -20.853 2.423 -12.736 45 HB3 HIS 2 1HB HIS 2 -22.066 3.131 -13.789 46 HD1 HIS 2 1HD HIS 2 -18.799 2.603 -14.127 47 HD2 HIS 2 2HD HIS 2 -20.878 6.194 -13.940 48 HE1 HIS 2 1HE HIS 2 -17.324 4.294 -15.257 49 HE2 HIS 2 2HE HIS 2 -18.644 6.438 -15.213 50 H ILE 3 H ILE 3 -20.246 5.971 -11.728 51 HA ILE 3 HA ILE 3 -19.274 5.415 -9.053 52 HB ILE 3 HB ILE 3 -17.424 5.260 -11.441 53 HG12 ILE 3 2HG1 ILE 3 -18.346 3.160 -9.472 54 HG13 ILE 3 1HG1 ILE 3 -18.616 3.186 -11.211 55 HG21 ILE 3 1HG2 ILE 3 -16.284 6.377 -9.655 56 HG22 ILE 3 2HG2 ILE 3 -15.679 4.726 -9.729 57 HG23 ILE 3 3HG2 ILE 3 -16.841 5.183 -8.484 58 HD11 ILE 3 3HD1 ILE 3 -16.156 2.979 -11.515 59 HD12 ILE 3 1HD1 ILE 3 -16.927 1.589 -10.752 60 HD13 ILE 3 2HD1 ILE 3 -16.022 2.746 -9.774 61 H GLN 4 H GLN 4 -18.036 7.176 -8.192 62 HA GLN 4 HA GLN 4 -17.655 9.527 -9.860 63 HB2 GLN 4 2HB GLN 4 -18.885 10.958 -8.157 64 HB3 GLN 4 1HB GLN 4 -19.881 9.980 -9.228 65 HG2 GLN 4 2HG GLN 4 -19.105 8.880 -6.573 66 HG3 GLN 4 1HG GLN 4 -20.371 10.099 -6.659 67 HE21 GLN 4 1HE2 GLN 4 -19.599 6.822 -7.014 68 HE22 GLN 4 2HE2 GLN 4 -21.121 6.278 -7.625 69 H ILE 5 H ILE 5 -15.567 9.895 -9.457 70 HA ILE 5 HA ILE 5 -13.994 9.182 -7.363 71 HB ILE 5 HB ILE 5 -13.805 11.812 -8.845 72 HG12 ILE 5 2HG1 ILE 5 -13.729 9.998 -10.426 73 HG13 ILE 5 1HG1 ILE 5 -12.080 10.568 -10.201 74 HG21 ILE 5 1HG2 ILE 5 -12.438 12.011 -6.929 75 HG22 ILE 5 2HG2 ILE 5 -11.354 11.598 -8.256 76 HG23 ILE 5 3HG2 ILE 5 -11.835 10.361 -7.095 77 HD11 ILE 5 3HD1 ILE 5 -13.340 8.028 -9.272 78 HD12 ILE 5 1HD1 ILE 5 -11.904 8.669 -8.470 79 HD13 ILE 5 2HD1 ILE 5 -11.853 8.277 -10.189 80 HA PRO 6 HA PRO 6 -16.340 11.228 -4.000 81 HB2 PRO 6 2HB PRO 6 -13.987 10.056 -2.566 82 HB3 PRO 6 1HB PRO 6 -15.697 10.052 -2.115 83 HG2 PRO 6 2HG PRO 6 -14.592 7.875 -3.134 84 HG3 PRO 6 1HG PRO 6 -16.223 8.365 -3.630 85 HD2 PRO 6 2HD PRO 6 -13.637 8.613 -5.104 86 HD3 PRO 6 1HD PRO 6 -15.261 8.262 -5.723 87 HA PRO 7 HA PRO 7 -13.799 15.010 -4.360 88 HB2 PRO 7 2HB PRO 7 -15.792 15.766 -2.250 89 HB3 PRO 7 1HB PRO 7 -15.235 16.688 -3.653 90 HG2 PRO 7 2HG PRO 7 -17.606 15.494 -3.688 91 HG3 PRO 7 1HG PRO 7 -16.574 15.496 -5.131 92 HD2 PRO 7 2HD PRO 7 -17.141 13.284 -3.210 93 HD3 PRO 7 1HD PRO 7 -16.840 13.215 -4.959 94 H GLY 8 H GLY 8 -12.264 16.014 -2.999 95 HA2 GLY 8 2HA GLY 8 -11.044 16.368 -1.045 96 HA3 GLY 8 1HA GLY 8 -12.121 15.270 -0.196 97 H LEU 9 H LEU 9 -11.583 13.271 -2.487 98 HA LEU 9 HA LEU 9 -9.596 11.799 -1.145 99 HB2 LEU 9 2HB LEU 9 -11.428 10.963 -2.713 100 HB3 LEU 9 1HB LEU 9 -10.361 11.407 -4.029 101 HG LEU 9 HG LEU 9 -8.947 9.768 -2.098 102 HD11 LEU 9 1HD1 LEU 9 -10.141 7.714 -2.294 103 HD12 LEU 9 2HD1 LEU 9 -11.346 8.452 -3.349 104 HD13 LEU 9 3HD1 LEU 9 -11.246 8.930 -1.655 105 HD21 LEU 9 3HD2 LEU 9 -9.667 9.406 -5.004 106 HD22 LEU 9 1HD2 LEU 9 -8.547 8.380 -4.107 107 HD23 LEU 9 2HD2 LEU 9 -8.173 10.085 -4.356 108 H THR 10 H THR 10 -9.456 14.122 -3.742 109 HA THR 10 HA THR 10 -6.861 13.470 -4.673 110 HB THR 10 HB THR 10 -7.883 16.262 -4.922 111 HG1 THR 10 1HG THR 10 -9.182 13.972 -5.933 112 HG21 THR 10 3HG2 THR 10 -7.258 15.990 -7.248 113 HG22 THR 10 1HG2 THR 10 -6.847 14.299 -6.955 114 HG23 THR 10 2HG2 THR 10 -5.910 15.582 -6.186 115 H GLU 11 H GLU 11 -7.979 16.125 -2.557 116 HA GLU 11 HA GLU 11 -5.390 17.099 -2.026 117 HB2 GLU 11 2HB GLU 11 -6.384 18.335 -0.167 118 HB3 GLU 11 1HB GLU 11 -7.364 18.463 -1.617 119 HG2 GLU 11 2HG GLU 11 -8.922 18.158 0.062 120 HG3 GLU 11 1HG GLU 11 -8.740 16.547 -0.622 121 H LEU 12 H LEU 12 -7.171 14.432 -0.675 122 HA LEU 12 HA LEU 12 -5.623 14.188 1.706 123 HB2 LEU 12 2HB LEU 12 -7.923 12.970 0.676 124 HB3 LEU 12 1HB LEU 12 -6.750 11.674 0.794 125 HG LEU 12 HG LEU 12 -7.970 11.645 2.819 126 HD11 LEU 12 1HD1 LEU 12 -5.365 11.662 2.892 127 HD12 LEU 12 2HD1 LEU 12 -6.297 11.744 4.386 128 HD13 LEU 12 3HD1 LEU 12 -5.587 13.208 3.714 129 HD21 LEU 12 3HD2 LEU 12 -7.418 14.593 3.126 130 HD22 LEU 12 1HD2 LEU 12 -8.349 13.571 4.221 131 HD23 LEU 12 2HD2 LEU 12 -8.949 13.896 2.596 132 H LEU 13 H LEU 13 -5.468 12.582 -1.476 133 HA LEU 13 HA LEU 13 -3.293 10.895 -0.722 134 HB2 LEU 13 2HB LEU 13 -4.370 11.645 -3.440 135 HB3 LEU 13 1HB LEU 13 -3.153 10.417 -3.159 136 HG LEU 13 HG LEU 13 -6.008 10.338 -2.179 137 HD11 LEU 13 1HD1 LEU 13 -4.591 8.763 -4.324 138 HD12 LEU 13 2HD1 LEU 13 -5.840 9.983 -4.575 139 HD13 LEU 13 3HD1 LEU 13 -6.236 8.472 -3.757 140 HD21 LEU 13 3HD2 LEU 13 -5.312 7.915 -1.669 141 HD22 LEU 13 1HD2 LEU 13 -4.809 9.180 -0.552 142 HD23 LEU 13 2HD2 LEU 13 -3.662 8.531 -1.719 143 H GLN 14 H GLN 14 -3.598 14.074 -2.140 144 HA GLN 14 HA GLN 14 -1.008 14.315 -3.193 145 HB2 GLN 14 2HB GLN 14 -3.164 15.863 -3.352 146 HB3 GLN 14 1HB GLN 14 -2.368 16.713 -2.036 147 HG2 GLN 14 2HG GLN 14 -0.392 17.029 -3.424 148 HG3 GLN 14 1HG GLN 14 -1.168 16.149 -4.740 149 HE21 GLN 14 1HE2 GLN 14 -0.765 19.154 -3.212 150 HE22 GLN 14 2HE2 GLN 14 -1.880 20.062 -4.170 151 H GLY 15 H GLY 15 -2.313 15.047 0.020 152 HA2 GLY 15 2HA GLY 15 -0.050 16.248 1.134 153 HA3 GLY 15 1HA GLY 15 -1.245 15.326 2.039 154 H TYR 16 H TYR 16 -0.933 12.823 0.882 155 HA TYR 16 HA TYR 16 1.390 11.899 2.268 156 HB2 TYR 16 2HB TYR 16 -0.563 10.477 2.177 157 HB3 TYR 16 1HB TYR 16 -0.525 10.465 0.416 158 HD1 TYR 16 2HD TYR 16 1.819 9.734 3.234 159 HD2 TYR 16 1HD TYR 16 0.298 8.511 -0.544 160 HE1 TYR 16 2HE TYR 16 3.257 7.745 3.309 161 HE2 TYR 16 1HE TYR 16 1.742 6.516 -0.482 162 HH TYR 16 HH TYR 16 2.937 5.156 1.053 163 H THR 17 H THR 17 0.502 12.059 -1.168 164 HA THR 17 HA THR 17 2.776 10.899 -2.239 165 HB THR 17 HB THR 17 1.313 13.177 -3.561 166 HG1 THR 17 1HG THR 17 -0.361 11.948 -3.060 167 HG21 THR 17 3HG2 THR 17 3.351 11.693 -4.543 168 HG22 THR 17 1HG2 THR 17 2.080 12.415 -5.531 169 HG23 THR 17 2HG2 THR 17 1.963 10.722 -5.038 170 H VAL 18 H VAL 18 2.177 14.418 -2.000 171 HA VAL 18 HA VAL 18 4.637 15.293 -2.877 172 HB VAL 18 HB VAL 18 2.615 16.711 -2.358 173 HG11 VAL 18 1HG1 VAL 18 2.268 17.576 -0.173 174 HG12 VAL 18 2HG1 VAL 18 3.737 16.816 0.434 175 HG13 VAL 18 3HG1 VAL 18 2.355 15.822 -0.020 176 HG21 VAL 18 3HG2 VAL 18 3.933 18.698 -1.823 177 HG22 VAL 18 1HG2 VAL 18 4.764 17.676 -2.998 178 HG23 VAL 18 2HG2 VAL 18 5.274 17.674 -1.309 179 H GLU 19 H GLU 19 3.794 13.955 0.238 180 HA GLU 19 HA GLU 19 6.135 14.881 1.590 181 HB2 GLU 19 2HB GLU 19 3.844 14.070 2.556 182 HB3 GLU 19 1HB GLU 19 4.592 12.481 2.502 183 HG2 GLU 19 2HG GLU 19 5.046 13.203 4.654 184 HG3 GLU 19 1HG GLU 19 6.533 13.582 3.788 185 H VAL 20 H VAL 20 5.300 11.965 -0.185 186 HA VAL 20 HA VAL 20 7.511 10.406 0.636 187 HB VAL 20 HB VAL 20 5.274 9.831 -0.752 188 HG11 VAL 20 1HG1 VAL 20 7.358 9.674 -2.911 189 HG12 VAL 20 2HG1 VAL 20 6.237 11.021 -2.770 190 HG13 VAL 20 3HG1 VAL 20 5.624 9.400 -3.033 191 HG21 VAL 20 3HG2 VAL 20 6.772 8.233 0.382 192 HG22 VAL 20 1HG2 VAL 20 7.817 8.242 -1.035 193 HG23 VAL 20 2HG2 VAL 20 6.169 7.632 -1.159 194 H LEU 21 H LEU 21 7.076 12.799 -1.857 195 HA LEU 21 HA LEU 21 9.490 12.234 -3.277 196 HB2 LEU 21 2HB LEU 21 7.836 14.749 -3.278 197 HB3 LEU 21 1HB LEU 21 9.000 14.269 -4.499 198 HG LEU 21 HG LEU 21 6.390 12.884 -3.887 199 HD11 LEU 21 1HD1 LEU 21 5.410 14.144 -5.421 200 HD12 LEU 21 2HD1 LEU 21 6.709 13.877 -6.581 201 HD13 LEU 21 3HD1 LEU 21 6.836 15.179 -5.397 202 HD21 LEU 21 3HD2 LEU 21 8.596 12.241 -5.829 203 HD22 LEU 21 1HD2 LEU 21 6.958 11.612 -5.992 204 HD23 LEU 21 2HD2 LEU 21 7.914 11.211 -4.571 205 H ARG 22 H ARG 22 8.557 14.870 -1.054 206 HA ARG 22 HA ARG 22 11.205 15.970 -1.053 207 HB2 ARG 22 2HB ARG 22 10.407 17.547 0.576 208 HB3 ARG 22 1HB ARG 22 9.195 17.355 -0.680 209 HG2 ARG 22 2HG ARG 22 7.821 16.038 0.740 210 HG3 ARG 22 1HG ARG 22 9.079 15.930 1.966 211 HD2 ARG 22 2HD ARG 22 8.500 17.895 2.868 212 HD3 ARG 22 1HD ARG 22 8.434 18.690 1.296 213 HE ARG 22 HE ARG 22 6.160 17.205 1.369 214 HH11 ARG 22 1HH1 ARG 22 7.555 19.637 3.458 215 HH12 ARG 22 2HH1 ARG 22 6.023 20.175 4.058 216 HH21 ARG 22 1HH2 ARG 22 4.147 17.921 2.166 217 HH22 ARG 22 2HH2 ARG 22 4.093 19.205 3.325 218 H GLN 23 H GLN 23 9.646 13.501 0.800 219 HA GLN 23 HA GLN 23 11.642 13.651 2.935 220 HB2 GLN 23 2HB GLN 23 9.178 13.233 3.377 221 HB3 GLN 23 1HB GLN 23 9.402 11.647 2.653 222 HG2 GLN 23 2HG GLN 23 9.554 11.330 4.972 223 HG3 GLN 23 1HG GLN 23 11.208 11.254 4.367 224 HE21 GLN 23 1HE2 GLN 23 12.609 12.996 4.768 225 HE22 GLN 23 2HE2 GLN 23 12.307 14.118 6.047 226 H GLN 24 H GLN 24 10.596 11.556 0.319 227 HA GLN 24 HA GLN 24 11.554 9.806 -0.730 228 HB2 GLN 24 2HB GLN 24 14.152 10.844 0.412 229 HB3 GLN 24 1HB GLN 24 13.960 9.807 -0.995 230 HG2 GLN 24 2HG GLN 24 12.830 12.587 -0.842 231 HG3 GLN 24 1HG GLN 24 14.442 12.231 -1.456 232 HE21 GLN 24 1HE2 GLN 24 13.442 13.318 -3.363 233 HE22 GLN 24 2HE2 GLN 24 12.614 12.321 -4.504 234 HA PRO 25 HA PRO 25 12.011 7.262 3.086 235 HB2 PRO 25 2HB PRO 25 9.632 6.016 3.060 236 HB3 PRO 25 1HB PRO 25 9.812 7.659 3.682 237 HG2 PRO 25 2HG PRO 25 8.630 6.727 1.127 238 HG3 PRO 25 1HG PRO 25 8.245 8.158 2.094 239 HD2 PRO 25 2HD PRO 25 9.896 8.035 -0.223 240 HD3 PRO 25 1HD PRO 25 9.632 9.434 0.835 241 HA PRO 26 HA PRO 26 13.112 3.579 0.878 242 HB2 PRO 26 2HB PRO 26 13.242 1.744 2.820 243 HB3 PRO 26 1HB PRO 26 14.331 3.137 2.804 244 HG2 PRO 26 2HG PRO 26 11.809 2.731 4.375 245 HG3 PRO 26 1HG PRO 26 13.378 3.350 4.926 246 HD2 PRO 26 2HD PRO 26 11.272 4.964 4.263 247 HD3 PRO 26 1HD PRO 26 12.969 5.460 4.115 248 H ASP 27 H ASP 27 10.191 3.350 2.871 249 HA ASP 27 HA ASP 27 9.092 1.432 0.931 250 HB2 ASP 27 2HB ASP 27 8.858 1.281 3.942 251 HB3 ASP 27 1HB ASP 27 7.930 0.290 2.819 252 H LEU 28 H LEU 28 6.924 1.558 0.537 253 HA LEU 28 HA LEU 28 5.712 4.136 1.113 254 HB2 LEU 28 2HB LEU 28 4.683 1.866 -0.596 255 HB3 LEU 28 1HB LEU 28 4.033 3.490 -0.531 256 HG LEU 28 HG LEU 28 5.274 3.367 -2.533 257 HD11 LEU 28 1HD1 LEU 28 7.166 4.674 -0.596 258 HD12 LEU 28 2HD1 LEU 28 5.633 5.388 -1.095 259 HD13 LEU 28 3HD1 LEU 28 6.892 5.078 -2.290 260 HD21 LEU 28 3HD2 LEU 28 6.617 1.317 -1.650 261 HD22 LEU 28 1HD2 LEU 28 7.800 2.531 -1.162 262 HD23 LEU 28 2HD2 LEU 28 7.336 2.382 -2.855 263 H VAL 29 H VAL 29 5.125 0.704 1.708 264 HA VAL 29 HA VAL 29 2.592 0.963 2.901 265 HB VAL 29 HB VAL 29 3.580 -1.194 2.143 266 HG11 VAL 29 1HG1 VAL 29 5.163 -2.386 3.462 267 HG12 VAL 29 2HG1 VAL 29 5.126 -1.160 4.727 268 HG13 VAL 29 3HG1 VAL 29 5.832 -0.783 3.156 269 HG21 VAL 29 3HG2 VAL 29 2.752 -2.527 4.129 270 HG22 VAL 29 1HG2 VAL 29 1.628 -1.341 3.467 271 HG23 VAL 29 2HG2 VAL 29 2.512 -0.984 4.950 272 H GLU 30 H GLU 30 5.857 1.036 4.280 273 HA GLU 30 HA GLU 30 4.941 1.326 6.981 274 HB2 GLU 30 2HB GLU 30 7.174 0.374 6.301 275 HB3 GLU 30 1HB GLU 30 7.671 2.006 5.873 276 HG2 GLU 30 2HG GLU 30 7.357 2.722 8.173 277 HG3 GLU 30 1HG GLU 30 6.803 1.107 8.612 278 H PHE 31 H PHE 31 6.159 3.499 4.477 279 HA PHE 31 HA PHE 31 6.081 5.852 6.065 280 HB2 PHE 31 2HB PHE 31 7.446 5.663 4.036 281 HB3 PHE 31 1HB PHE 31 5.988 5.530 3.060 282 HD1 PHE 31 2HD PHE 31 7.556 7.799 5.566 283 HD2 PHE 31 1HD PHE 31 5.182 7.441 2.051 284 HE1 PHE 31 2HE PHE 31 7.509 10.250 5.355 285 HE2 PHE 31 1HE PHE 31 5.135 9.894 1.831 286 HZ PHE 31 HZ PHE 31 6.299 11.298 3.486 287 H ALA 32 H ALA 32 3.707 4.061 4.301 288 HA ALA 32 HA ALA 32 1.788 6.140 3.997 289 HB1 ALA 32 1HB ALA 32 1.571 4.345 2.520 290 HB2 ALA 32 2HB ALA 32 0.215 4.175 3.638 291 HB3 ALA 32 3HB ALA 32 1.642 3.156 3.821 292 H VAL 33 H VAL 33 2.086 3.467 6.334 293 HA VAL 33 HA VAL 33 -0.191 4.316 7.845 294 HB VAL 33 HB VAL 33 0.748 1.957 7.779 295 HG11 VAL 33 1HG1 VAL 33 2.546 1.347 9.215 296 HG12 VAL 33 2HG1 VAL 33 2.684 2.989 9.841 297 HG13 VAL 33 3HG1 VAL 33 3.113 2.644 8.167 298 HG21 VAL 33 3HG2 VAL 33 -0.949 2.739 9.395 299 HG22 VAL 33 1HG2 VAL 33 0.352 3.122 10.524 300 HG23 VAL 33 2HG2 VAL 33 0.081 1.452 10.030 301 H GLU 34 H GLU 34 3.238 5.045 7.879 302 HA GLU 34 HA GLU 34 3.267 6.187 10.494 303 HB2 GLU 34 2HB GLU 34 5.113 6.358 8.123 304 HB3 GLU 34 1HB GLU 34 5.390 7.337 9.556 305 HG2 GLU 34 2HG GLU 34 5.673 5.409 10.918 306 HG3 GLU 34 1HG GLU 34 5.132 4.343 9.622 307 H TYR 35 H TYR 35 2.714 7.442 7.254 308 HA TYR 35 HA TYR 35 2.573 10.189 8.094 309 HB2 TYR 35 2HB TYR 35 3.338 9.648 5.855 310 HB3 TYR 35 1HB TYR 35 1.809 8.859 5.493 311 HD1 TYR 35 1HD TYR 35 -0.223 10.191 5.124 312 HD2 TYR 35 2HD TYR 35 3.534 12.055 5.826 313 HE1 TYR 35 1HE TYR 35 -1.127 12.317 4.280 314 HE2 TYR 35 2HE TYR 35 2.643 14.188 4.978 315 HH TYR 35 HH TYR 35 0.900 15.077 3.692 316 H PHE 36 H PHE 36 0.193 7.677 7.292 317 HA PHE 36 HA PHE 36 -2.021 9.479 7.452 318 HB2 PHE 36 2HB PHE 36 -1.656 6.582 6.950 319 HB3 PHE 36 1HB PHE 36 -3.210 7.060 7.615 320 HD1 PHE 36 1HD PHE 36 -4.387 9.051 6.440 321 HD2 PHE 36 2HD PHE 36 -1.349 6.676 4.639 322 HE1 PHE 36 1HE PHE 36 -5.166 9.748 4.215 323 HE2 PHE 36 2HE PHE 36 -2.124 7.372 2.409 324 HZ PHE 36 HZ PHE 36 -4.035 8.914 2.195 325 H THR 37 H THR 37 -0.901 6.854 9.640 326 HA THR 37 HA THR 37 -2.887 7.130 11.547 327 HB THR 37 HB THR 37 -1.233 6.260 13.193 328 HG1 THR 37 1HG THR 37 0.522 6.694 11.033 329 HG21 THR 37 3HG2 THR 37 -1.201 4.821 10.560 330 HG22 THR 37 1HG2 THR 37 -2.446 4.690 11.801 331 HG23 THR 37 2HG2 THR 37 -0.809 4.133 12.137 332 H ARG 38 H ARG 38 0.164 8.930 11.290 333 HA ARG 38 HA ARG 38 -0.054 10.433 13.624 334 HB2 ARG 38 2HB ARG 38 1.162 11.169 10.956 335 HB3 ARG 38 1HB ARG 38 1.382 12.105 12.428 336 HG2 ARG 38 2HG ARG 38 2.094 9.198 12.377 337 HG3 ARG 38 1HG ARG 38 3.195 10.398 11.700 338 HD2 ARG 38 2HD ARG 38 2.089 10.824 14.443 339 HD3 ARG 38 1HD ARG 38 3.393 9.660 14.213 340 HE ARG 38 HE ARG 38 3.619 12.489 14.198 341 HH11 ARG 38 1HH1 ARG 38 4.918 9.603 12.719 342 HH12 ARG 38 2HH1 ARG 38 6.450 10.325 12.363 343 HH21 ARG 38 1HH2 ARG 38 5.636 13.437 13.729 344 HH22 ARG 38 2HH2 ARG 38 6.858 12.500 12.936 345 H LEU 39 H LEU 39 -1.148 11.245 10.334 346 HA LEU 39 HA LEU 39 -2.311 13.710 10.925 347 HB2 LEU 39 2HB LEU 39 -1.967 13.167 8.656 348 HB3 LEU 39 1HB LEU 39 -2.834 11.650 8.799 349 HG LEU 39 HG LEU 39 -4.944 12.805 8.945 350 HD11 LEU 39 1HD1 LEU 39 -4.297 14.761 10.196 351 HD12 LEU 39 2HD1 LEU 39 -5.057 15.264 8.686 352 HD13 LEU 39 3HD1 LEU 39 -3.303 15.331 8.856 353 HD21 LEU 39 3HD2 LEU 39 -3.925 12.349 6.712 354 HD22 LEU 39 1HD2 LEU 39 -3.347 14.015 6.696 355 HD23 LEU 39 2HD2 LEU 39 -5.079 13.683 6.725 356 H ARG 40 H ARG 40 -3.903 10.522 10.639 357 HA ARG 40 HA ARG 40 -6.468 11.202 11.351 358 HB2 ARG 40 2HB ARG 40 -5.332 8.885 10.768 359 HB3 ARG 40 1HB ARG 40 -5.289 8.705 12.515 360 HG2 ARG 40 2HG ARG 40 -7.692 8.991 10.737 361 HG3 ARG 40 1HG ARG 40 -7.255 7.641 11.781 362 HD2 ARG 40 2HD ARG 40 -7.589 9.093 13.744 363 HD3 ARG 40 1HD ARG 40 -8.097 10.398 12.669 364 HE ARG 40 HE ARG 40 -9.754 8.414 11.978 365 HH11 ARG 40 1HH1 ARG 40 -8.927 9.802 15.077 366 HH12 ARG 40 2HH1 ARG 40 -10.458 9.424 15.790 367 HH21 ARG 40 1HH2 ARG 40 -11.766 7.924 12.921 368 HH22 ARG 40 2HH2 ARG 40 -12.067 8.360 14.569 369 H GLU 41 H GLU 41 -3.968 10.045 13.620 370 HA GLU 41 HA GLU 41 -5.376 10.422 15.976 371 HB2 GLU 41 2HB GLU 41 -2.406 10.590 15.461 372 HB3 GLU 41 1HB GLU 41 -3.121 10.533 17.066 373 HG2 GLU 41 2HG GLU 41 -3.579 8.407 14.993 374 HG3 GLU 41 1HG GLU 41 -2.255 8.355 16.156 375 H ALA 42 H ALA 42 -3.961 12.823 13.929 376 HA ALA 42 HA ALA 42 -3.301 14.868 15.625 377 HB1 ALA 42 1HB ALA 42 -3.164 14.876 13.115 378 HB2 ALA 42 2HB ALA 42 -3.691 16.389 13.850 379 HB3 ALA 42 3HB ALA 42 -4.873 15.317 13.098 380 H ARG 43 H ARG 43 -6.557 13.929 14.604 381 HA ARG 43 HA ARG 43 -7.699 15.951 16.388 382 HB2 ARG 43 2HB ARG 43 -9.883 15.259 15.251 383 HB3 ARG 43 1HB ARG 43 -8.711 16.137 14.284 384 HG2 ARG 43 2HG ARG 43 -9.676 14.367 12.983 385 HG3 ARG 43 1HG ARG 43 -7.976 14.018 13.275 386 HD2 ARG 43 2HD ARG 43 -9.515 12.057 13.517 387 HD3 ARG 43 1HD ARG 43 -8.518 12.388 14.928 388 HE ARG 43 HE ARG 43 -10.416 12.815 16.128 389 HH11 ARG 43 1HH1 ARG 43 -11.217 12.908 12.724 390 HH12 ARG 43 2HH1 ARG 43 -12.920 13.023 13.006 391 HH21 ARG 43 1HH2 ARG 43 -12.654 12.967 16.489 392 HH22 ARG 43 2HH2 ARG 43 -13.736 13.057 15.139 393 H ALA 44 H ALA 44 -6.439 13.440 17.276 394 HA ALA 44 HA ALA 44 -6.778 12.062 19.074 395 HB1 ALA 44 1HB ALA 44 -8.632 12.253 20.442 396 HB2 ALA 44 2HB ALA 44 -9.728 12.576 19.097 397 HB3 ALA 44 3HB ALA 44 -8.611 13.827 19.647 398 H1 GLY -7 1HT GLY -7 7.002 13.323 -19.449 399 H2 GLY -7 2HT GLY -7 8.232 14.318 -20.046 400 H3 GLY -7 3HT GLY -7 8.419 12.637 -20.068 401 HA2 GLY -7 1HA GLY -7 7.051 12.329 -21.847 402 HA3 GLY -7 2HA GLY -7 6.124 13.776 -21.480 403 H ALA -6 H ALA -6 9.521 12.986 -22.238 404 HA ALA -6 HA ALA -6 11.007 13.910 -23.689 405 HB1 ALA -6 1HB ALA -6 8.621 14.890 -25.243 406 HB2 ALA -6 2HB ALA -6 9.198 13.224 -25.294 407 HB3 ALA -6 3HB ALA -6 10.240 14.535 -25.847 408 H MET -5 H MET -5 12.159 15.573 -22.951 409 HA MET -5 HA MET -5 11.361 18.267 -23.412 410 HB2 MET -5 2HB MET -5 10.063 17.652 -21.327 411 HB3 MET -5 1HB MET -5 11.609 17.485 -20.506 412 HG2 MET -5 2HG MET -5 10.799 19.631 -19.982 413 HG3 MET -5 1HG MET -5 12.091 19.861 -21.158 414 HE1 MET -5 3HE MET -5 10.919 22.258 -20.931 415 HE2 MET -5 1HE MET -5 9.924 22.771 -22.294 416 HE3 MET -5 2HE MET -5 11.535 22.113 -22.577 417 H GLY -4 H GLY -4 13.421 16.336 -21.230 418 HA2 GLY -4 2HA GLY -4 15.841 16.783 -22.451 419 HA3 GLY -4 1HA GLY -4 15.610 18.172 -21.399 420 H SER -3 H SER -3 17.650 16.110 -21.243 421 HA SER -3 HA SER -3 17.035 14.310 -19.128 422 HB2 SER -3 2HB SER -3 19.692 15.279 -20.209 423 HB3 SER -3 1HB SER -3 19.513 13.981 -19.028 424 HG SER -3 HG SER -3 18.388 12.788 -20.559 425 H MET -2 H MET -2 15.983 16.194 -17.895 426 HA MET -2 HA MET -2 17.974 17.381 -16.063 427 HB2 MET -2 2HB MET -2 16.189 18.760 -17.671 428 HB3 MET -2 1HB MET -2 15.350 18.704 -16.127 429 HG2 MET -2 2HG MET -2 18.116 19.784 -16.620 430 HG3 MET -2 1HG MET -2 16.657 20.727 -16.330 431 HE1 MET -2 3HE MET -2 19.728 20.133 -14.966 432 HE2 MET -2 1HE MET -2 19.453 18.434 -14.578 433 HE3 MET -2 2HE MET -2 19.607 19.621 -13.283 434 H SER -1 H SER -1 17.679 17.099 -13.910 435 HA SER -1 HA SER -1 15.571 15.236 -13.102 436 HB2 SER -1 2HB SER -1 16.910 14.930 -11.064 437 HB3 SER -1 1HB SER -1 17.888 14.671 -12.509 438 HG SER -1 HG SER -1 18.703 16.095 -10.688 439 H HIS 2 H HIS 2 14.665 15.561 -10.878 440 HA HIS 2 HA HIS 2 14.562 18.046 -9.618 441 HB2 HIS 2 2HB HIS 2 12.274 18.786 -10.252 442 HB3 HIS 2 1HB HIS 2 13.421 18.892 -11.573 443 HD1 HIS 2 1HD HIS 2 13.330 16.179 -12.827 444 HD2 HIS 2 2HD HIS 2 9.928 18.075 -11.380 445 HE1 HIS 2 1HE HIS 2 11.403 15.121 -14.041 446 HE2 HIS 2 2HE HIS 2 9.349 16.200 -13.061 447 H ILE 3 H ILE 3 12.127 15.593 -10.500 448 HA ILE 3 HA ILE 3 12.170 14.509 -7.807 449 HB ILE 3 HB ILE 3 9.633 15.639 -9.001 450 HG12 ILE 3 2HG1 ILE 3 9.706 16.891 -6.697 451 HG13 ILE 3 1HG1 ILE 3 11.428 16.545 -6.763 452 HG21 ILE 3 1HG2 ILE 3 8.711 14.936 -6.731 453 HG22 ILE 3 2HG2 ILE 3 10.152 13.934 -6.588 454 HG23 ILE 3 3HG2 ILE 3 9.016 13.662 -7.909 455 HD11 ILE 3 3HD1 ILE 3 9.930 18.606 -8.055 456 HD12 ILE 3 1HD1 ILE 3 10.754 17.621 -9.261 457 HD13 ILE 3 2HD1 ILE 3 11.675 18.382 -7.966 458 H GLN 4 H GLN 4 11.124 12.414 -7.695 459 HA GLN 4 HA GLN 4 10.139 11.273 -10.191 460 HB2 GLN 4 2HB GLN 4 12.751 10.589 -8.946 461 HB3 GLN 4 1HB GLN 4 11.786 9.241 -9.530 462 HG2 GLN 4 2HG GLN 4 12.469 11.619 -11.231 463 HG3 GLN 4 1HG GLN 4 13.475 10.176 -11.137 464 HE21 GLN 4 1HE2 GLN 4 12.059 8.096 -11.368 465 HE22 GLN 4 2HE2 GLN 4 10.997 8.101 -12.731 466 H ILE 5 H ILE 5 8.361 10.195 -9.735 467 HA ILE 5 HA ILE 5 7.440 9.601 -7.161 468 HB ILE 5 HB ILE 5 6.571 8.288 -9.739 469 HG12 ILE 5 2HG1 ILE 5 6.475 10.742 -9.919 470 HG13 ILE 5 1HG1 ILE 5 4.870 10.034 -9.898 471 HG21 ILE 5 1HG2 ILE 5 5.804 7.230 -7.595 472 HG22 ILE 5 2HG2 ILE 5 4.520 7.778 -8.665 473 HG23 ILE 5 3HG2 ILE 5 4.946 8.729 -7.244 474 HD11 ILE 5 3HD1 ILE 5 6.093 11.939 -8.087 475 HD12 ILE 5 1HD1 ILE 5 5.321 10.595 -7.246 476 HD13 ILE 5 2HD1 ILE 5 4.392 11.577 -8.377 477 HA PRO 6 HA PRO 6 10.120 6.004 -6.342 478 HB2 PRO 6 2HB PRO 6 7.956 5.609 -4.309 479 HB3 PRO 6 1HB PRO 6 9.712 5.499 -4.121 480 HG2 PRO 6 2HG PRO 6 8.404 7.638 -3.254 481 HG3 PRO 6 1HG PRO 6 9.980 7.806 -4.052 482 HD2 PRO 6 2HD PRO 6 7.248 8.386 -5.109 483 HD3 PRO 6 1HD PRO 6 8.787 9.210 -5.432 484 HA PRO 7 HA PRO 7 7.589 3.407 -9.139 485 HB2 PRO 7 2HB PRO 7 9.819 1.583 -8.291 486 HB3 PRO 7 1HB PRO 7 9.099 1.807 -9.892 487 HG2 PRO 7 2HG PRO 7 11.416 2.953 -9.307 488 HG3 PRO 7 1HG PRO 7 10.191 3.832 -10.242 489 HD2 PRO 7 2HD PRO 7 11.014 4.178 -7.401 490 HD3 PRO 7 1HD PRO 7 10.423 5.385 -8.561 491 H GLY 8 H GLY 8 6.017 1.923 -8.760 492 HA2 GLY 8 2HA GLY 8 4.978 0.104 -7.683 493 HA3 GLY 8 1HA GLY 8 6.115 0.259 -6.352 494 H LEU 9 H LEU 9 5.526 3.254 -6.383 495 HA LEU 9 HA LEU 9 3.609 3.242 -4.325 496 HB2 LEU 9 2HB LEU 9 5.419 4.921 -4.676 497 HB3 LEU 9 1HB LEU 9 4.494 5.578 -6.011 498 HG LEU 9 HG LEU 9 3.366 5.425 -3.221 499 HD11 LEU 9 1HD1 LEU 9 4.073 7.698 -2.850 500 HD12 LEU 9 2HD1 LEU 9 4.852 7.745 -4.432 501 HD13 LEU 9 3HD1 LEU 9 5.479 6.684 -3.172 502 HD21 LEU 9 3HD2 LEU 9 2.568 6.700 -5.793 503 HD22 LEU 9 1HD2 LEU 9 2.195 7.548 -4.293 504 HD23 LEU 9 2HD2 LEU 9 1.585 5.921 -4.558 505 H THR 10 H THR 10 3.343 3.991 -7.788 506 HA THR 10 HA THR 10 0.815 5.107 -7.814 507 HB THR 10 HB THR 10 1.604 3.174 -9.969 508 HG1 THR 10 1HG THR 10 3.498 4.183 -9.761 509 HG21 THR 10 3HG2 THR 10 -0.431 5.015 -9.832 510 HG22 THR 10 1HG2 THR 10 0.265 4.360 -11.317 511 HG23 THR 10 2HG2 THR 10 0.835 5.901 -10.683 512 H GLU 11 H GLU 11 1.647 1.652 -7.981 513 HA GLU 11 HA GLU 11 -1.038 0.767 -8.180 514 HB2 GLU 11 2HB GLU 11 -0.138 -1.466 -7.596 515 HB3 GLU 11 1HB GLU 11 0.727 -0.687 -8.912 516 HG2 GLU 11 2HG GLU 11 2.590 -0.233 -7.570 517 HG3 GLU 11 1HG GLU 11 1.700 -0.550 -6.081 518 H LEU 12 H LEU 12 0.971 1.625 -5.465 519 HA LEU 12 HA LEU 12 -0.523 0.297 -3.455 520 HB2 LEU 12 2HB LEU 12 1.628 2.288 -3.557 521 HB3 LEU 12 1HB LEU 12 0.542 2.529 -2.205 522 HG LEU 12 HG LEU 12 2.444 1.187 -1.534 523 HD11 LEU 12 1HD1 LEU 12 0.249 -0.826 -1.624 524 HD12 LEU 12 2HD1 LEU 12 -0.035 0.704 -0.794 525 HD13 LEU 12 3HD1 LEU 12 1.290 -0.342 -0.287 526 HD21 LEU 12 3HD2 LEU 12 3.108 0.201 -3.602 527 HD22 LEU 12 1HD2 LEU 12 1.576 -0.660 -3.748 528 HD23 LEU 12 2HD2 LEU 12 2.721 -1.105 -2.483 529 H LEU 13 H LEU 13 -0.544 3.723 -4.477 530 HA LEU 13 HA LEU 13 -2.741 4.491 -2.904 531 HB2 LEU 13 2HB LEU 13 -1.350 5.578 -5.302 532 HB3 LEU 13 1HB LEU 13 -2.954 6.198 -4.975 533 HG LEU 13 HG LEU 13 -2.305 7.161 -2.933 534 HD11 LEU 13 1HD1 LEU 13 0.165 6.783 -2.160 535 HD12 LEU 13 2HD1 LEU 13 0.006 5.281 -3.069 536 HD13 LEU 13 3HD1 LEU 13 -1.094 5.625 -1.737 537 HD21 LEU 13 3HD2 LEU 13 -1.546 8.476 -4.782 538 HD22 LEU 13 1HD2 LEU 13 -0.085 7.502 -4.943 539 HD23 LEU 13 2HD2 LEU 13 -0.307 8.531 -3.530 540 H GLN 14 H GLN 14 -2.495 2.968 -6.038 541 HA GLN 14 HA GLN 14 -5.212 3.258 -6.810 542 HB2 GLN 14 2HB GLN 14 -2.861 2.119 -7.922 543 HB3 GLN 14 1HB GLN 14 -4.060 0.841 -7.890 544 HG2 GLN 14 2HG GLN 14 -4.606 3.554 -9.040 545 HG3 GLN 14 1HG GLN 14 -3.932 2.226 -9.982 546 HE21 GLN 14 1HE2 GLN 14 -5.204 0.201 -9.972 547 HE22 GLN 14 2HE2 GLN 14 -6.927 0.327 -9.992 548 H GLY 15 H GLY 15 -3.407 0.613 -5.308 549 HA2 GLY 15 2HA GLY 15 -5.430 -1.266 -5.064 550 HA3 GLY 15 1HA GLY 15 -4.079 -1.116 -3.953 551 H TYR 16 H TYR 16 -4.741 1.513 -3.034 552 HA TYR 16 HA TYR 16 -6.691 0.806 -1.035 553 HB2 TYR 16 2HB TYR 16 -4.758 2.031 -0.313 554 HB3 TYR 16 1HB TYR 16 -5.041 3.292 -1.509 555 HD1 TYR 16 2HD TYR 16 -6.825 1.648 1.331 556 HD2 TYR 16 1HD TYR 16 -6.001 5.266 -0.745 557 HE1 TYR 16 2HE TYR 16 -8.129 2.890 3.000 558 HE2 TYR 16 1HE TYR 16 -7.308 6.522 0.915 559 HH TYR 16 HH TYR 16 -9.129 6.084 2.541 560 H THR 17 H THR 17 -6.428 3.363 -3.500 561 HA THR 17 HA THR 17 -8.842 4.629 -3.046 562 HB THR 17 HB THR 17 -7.572 4.241 -5.758 563 HG1 THR 17 1HG THR 17 -6.977 6.221 -3.823 564 HG21 THR 17 3HG2 THR 17 -9.416 5.480 -6.268 565 HG22 THR 17 1HG2 THR 17 -8.308 6.767 -5.797 566 HG23 THR 17 2HG2 THR 17 -9.522 6.191 -4.657 567 H VAL 18 H VAL 18 -8.230 1.937 -5.321 568 HA VAL 18 HA VAL 18 -10.731 1.685 -6.452 569 HB VAL 18 HB VAL 18 -10.280 -0.738 -6.693 570 HG11 VAL 18 1HG1 VAL 18 -8.158 1.265 -7.346 571 HG12 VAL 18 2HG1 VAL 18 -9.307 0.457 -8.409 572 HG13 VAL 18 3HG1 VAL 18 -7.931 -0.432 -7.765 573 HG21 VAL 18 3HG2 VAL 18 -8.029 -1.548 -5.834 574 HG22 VAL 18 1HG2 VAL 18 -9.308 -1.347 -4.637 575 HG23 VAL 18 2HG2 VAL 18 -8.044 -0.132 -4.785 576 H GLU 19 H GLU 19 -9.691 0.716 -3.249 577 HA GLU 19 HA GLU 19 -12.083 -0.757 -2.637 578 HB2 GLU 19 2HB GLU 19 -9.757 0.202 -0.982 579 HB3 GLU 19 1HB GLU 19 -11.160 -0.555 -0.244 580 HG2 GLU 19 2HG GLU 19 -9.457 -1.830 -2.371 581 HG3 GLU 19 1HG GLU 19 -9.279 -2.104 -0.638 582 H VAL 20 H VAL 20 -10.941 2.521 -2.255 583 HA VAL 20 HA VAL 20 -12.906 3.395 -0.408 584 HB VAL 20 HB VAL 20 -11.309 4.989 -2.423 585 HG11 VAL 20 1HG1 VAL 20 -13.134 6.355 -1.829 586 HG12 VAL 20 2HG1 VAL 20 -11.802 6.886 -0.802 587 HG13 VAL 20 3HG1 VAL 20 -13.064 5.850 -0.141 588 HG21 VAL 20 3HG2 VAL 20 -9.717 5.370 -0.749 589 HG22 VAL 20 1HG2 VAL 20 -10.084 3.652 -0.612 590 HG23 VAL 20 2HG2 VAL 20 -10.789 4.797 0.527 591 H LEU 21 H LEU 21 -12.639 3.771 -3.931 592 HA LEU 21 HA LEU 21 -15.093 5.073 -4.305 593 HB2 LEU 21 2HB LEU 21 -13.274 3.500 -6.093 594 HB3 LEU 21 1HB LEU 21 -14.823 4.057 -6.696 595 HG LEU 21 HG LEU 21 -14.191 6.366 -6.298 596 HD11 LEU 21 1HD1 LEU 21 -11.644 5.191 -5.208 597 HD12 LEU 21 2HD1 LEU 21 -12.827 6.174 -4.344 598 HD13 LEU 21 3HD1 LEU 21 -11.851 6.891 -5.627 599 HD21 LEU 21 3HD2 LEU 21 -12.225 6.464 -7.883 600 HD22 LEU 21 1HD2 LEU 21 -13.634 5.571 -8.452 601 HD23 LEU 21 2HD2 LEU 21 -12.225 4.703 -7.847 602 H ARG 22 H ARG 22 -14.263 1.650 -4.252 603 HA ARG 22 HA ARG 22 -16.899 0.822 -5.055 604 HB2 ARG 22 2HB ARG 22 -15.972 -1.289 -5.312 605 HB3 ARG 22 1HB ARG 22 -14.611 -0.233 -5.615 606 HG2 ARG 22 2HG ARG 22 -13.545 -1.602 -4.199 607 HG3 ARG 22 1HG ARG 22 -14.296 -0.587 -2.971 608 HD2 ARG 22 2HD ARG 22 -14.828 -3.390 -3.706 609 HD3 ARG 22 1HD ARG 22 -14.963 -2.580 -2.150 610 HE ARG 22 HE ARG 22 -17.020 -1.756 -3.925 611 HH11 ARG 22 1HH1 ARG 22 -16.046 -4.396 -1.860 612 HH12 ARG 22 2HH1 ARG 22 -17.666 -4.934 -1.576 613 HH21 ARG 22 1HH2 ARG 22 -19.150 -2.463 -3.552 614 HH22 ARG 22 2HH2 ARG 22 -19.429 -3.838 -2.536 615 H GLN 23 H GLN 23 -15.239 1.310 -2.027 616 HA GLN 23 HA GLN 23 -17.355 -0.171 -0.606 617 HB2 GLN 23 2HB GLN 23 -14.864 -0.608 -0.176 618 HB3 GLN 23 1HB GLN 23 -14.860 0.943 0.654 619 HG2 GLN 23 2HG GLN 23 -16.913 -0.117 1.928 620 HG3 GLN 23 1HG GLN 23 -16.156 -1.625 1.420 621 HE21 GLN 23 1HE2 GLN 23 -15.833 1.244 3.350 622 HE22 GLN 23 2HE2 GLN 23 -14.519 0.689 4.325 623 H GLN 24 H GLN 24 -15.815 2.987 -0.830 624 HA GLN 24 HA GLN 24 -16.427 5.043 -0.099 625 HB2 GLN 24 2HB GLN 24 -19.175 3.784 -0.070 626 HB3 GLN 24 1HB GLN 24 -18.857 5.508 0.049 627 HG2 GLN 24 2HG GLN 24 -18.121 5.651 -2.157 628 HG3 GLN 24 1HG GLN 24 -17.857 3.914 -2.281 629 HE21 GLN 24 1HE2 GLN 24 -19.093 3.904 -4.198 630 HE22 GLN 24 2HE2 GLN 24 -20.819 3.969 -4.147 631 HA PRO 25 HA PRO 25 -16.566 3.832 4.334 632 HB2 PRO 25 2HB PRO 25 -14.174 4.713 5.084 633 HB3 PRO 25 1HB PRO 25 -14.319 3.239 4.116 634 HG2 PRO 25 2HG PRO 25 -13.583 6.008 3.250 635 HG3 PRO 25 1HG PRO 25 -12.873 4.459 2.764 636 HD2 PRO 25 2HD PRO 25 -14.788 5.871 1.319 637 HD3 PRO 25 1HD PRO 25 -14.434 4.143 1.127 638 HA PRO 26 HA PRO 26 -17.705 7.752 6.045 639 HB2 PRO 26 2HB PRO 26 -16.388 7.236 8.612 640 HB3 PRO 26 1HB PRO 26 -18.112 7.277 8.233 641 HG2 PRO 26 2HG PRO 26 -16.814 4.985 8.856 642 HG3 PRO 26 1HG PRO 26 -18.192 5.030 7.741 643 HD2 PRO 26 2HD PRO 26 -15.258 4.908 7.124 644 HD3 PRO 26 1HD PRO 26 -16.605 4.016 6.384 645 H ASP 27 H ASP 27 -14.332 6.831 6.594 646 HA ASP 27 HA ASP 27 -13.554 9.640 6.224 647 HB2 ASP 27 2HB ASP 27 -13.457 8.647 8.675 648 HB3 ASP 27 1HB ASP 27 -11.969 7.914 8.088 649 H LEU 28 H LEU 28 -11.177 9.797 5.767 650 HA LEU 28 HA LEU 28 -10.485 7.745 3.789 651 HB2 LEU 28 2HB LEU 28 -9.600 10.611 4.100 652 HB3 LEU 28 1HB LEU 28 -8.916 9.511 2.918 653 HG LEU 28 HG LEU 28 -11.866 10.115 2.979 654 HD11 LEU 28 1HD1 LEU 28 -9.792 11.584 1.357 655 HD12 LEU 28 2HD1 LEU 28 -10.601 12.237 2.783 656 HD13 LEU 28 3HD1 LEU 28 -11.536 11.843 1.341 657 HD21 LEU 28 3HD2 LEU 28 -11.655 9.500 0.573 658 HD22 LEU 28 1HD2 LEU 28 -11.284 8.185 1.685 659 HD23 LEU 28 2HD2 LEU 28 -9.977 9.055 0.883 660 H VAL 29 H VAL 29 -9.217 9.630 6.475 661 HA VAL 29 HA VAL 29 -6.634 8.405 6.442 662 HB VAL 29 HB VAL 29 -6.573 9.347 8.876 663 HG11 VAL 29 1HG1 VAL 29 -6.149 10.570 6.307 664 HG12 VAL 29 2HG1 VAL 29 -5.237 10.755 7.804 665 HG13 VAL 29 3HG1 VAL 29 -6.636 11.779 7.493 666 HG21 VAL 29 3HG2 VAL 29 -8.138 10.933 9.527 667 HG22 VAL 29 1HG2 VAL 29 -9.132 9.666 8.811 668 HG23 VAL 29 2HG2 VAL 29 -8.773 11.127 7.893 669 H GLU 30 H GLU 30 -9.620 7.813 8.273 670 HA GLU 30 HA GLU 30 -8.452 5.831 9.970 671 HB2 GLU 30 2HB GLU 30 -10.602 7.193 10.363 672 HB3 GLU 30 1HB GLU 30 -11.392 6.028 9.309 673 HG2 GLU 30 2HG GLU 30 -10.598 4.225 10.840 674 HG3 GLU 30 1HG GLU 30 -10.029 5.485 11.933 675 H PHE 31 H PHE 31 -10.087 5.765 6.847 676 HA PHE 31 HA PHE 31 -10.316 2.905 6.777 677 HB2 PHE 31 2HB PHE 31 -11.780 4.438 5.459 678 HB3 PHE 31 1HB PHE 31 -10.387 4.849 4.463 679 HD1 PHE 31 2HD PHE 31 -12.079 1.773 5.731 680 HD2 PHE 31 1HD PHE 31 -10.242 3.753 2.445 681 HE1 PHE 31 2HE PHE 31 -12.553 -0.170 4.302 682 HE2 PHE 31 1HE PHE 31 -10.716 1.813 1.006 683 HZ PHE 31 HZ PHE 31 -11.873 -0.152 1.936 684 H ALA 32 H ALA 32 -7.906 5.253 5.904 685 HA ALA 32 HA ALA 32 -6.323 3.471 4.297 686 HB1 ALA 32 1HB ALA 32 -5.538 6.104 5.530 687 HB2 ALA 32 2HB ALA 32 -6.340 5.919 3.970 688 HB3 ALA 32 3HB ALA 32 -4.719 5.264 4.212 689 H VAL 33 H VAL 33 -5.988 4.845 7.559 690 HA VAL 33 HA VAL 33 -3.591 3.678 8.277 691 HB VAL 33 HB VAL 33 -4.438 3.708 10.646 692 HG11 VAL 33 1HG1 VAL 33 -4.708 6.163 8.949 693 HG12 VAL 33 2HG1 VAL 33 -3.291 5.621 9.845 694 HG13 VAL 33 3HG1 VAL 33 -4.720 6.192 10.711 695 HG21 VAL 33 3HG2 VAL 33 -6.712 3.255 10.488 696 HG22 VAL 33 1HG2 VAL 33 -6.959 4.502 9.277 697 HG23 VAL 33 2HG2 VAL 33 -6.624 4.954 10.943 698 H GLU 34 H GLU 34 -6.850 2.288 8.583 699 HA GLU 34 HA GLU 34 -6.008 -0.168 9.703 700 HB2 GLU 34 2HB GLU 34 -8.505 0.648 8.221 701 HB3 GLU 34 1HB GLU 34 -8.278 -0.975 8.855 702 HG2 GLU 34 2HG GLU 34 -8.136 -0.133 11.101 703 HG3 GLU 34 1HG GLU 34 -8.195 1.529 10.519 704 H TYR 35 H TYR 35 -6.332 0.984 6.418 705 HA TYR 35 HA TYR 35 -6.139 -1.542 5.134 706 HB2 TYR 35 2HB TYR 35 -7.085 0.423 4.019 707 HB3 TYR 35 1HB TYR 35 -5.523 1.227 4.087 708 HD1 TYR 35 1HD TYR 35 -3.581 0.184 2.800 709 HD2 TYR 35 2HD TYR 35 -7.636 -0.964 2.193 710 HE1 TYR 35 1HE TYR 35 -2.983 -0.755 0.608 711 HE2 TYR 35 2HE TYR 35 -7.046 -1.906 -0.003 712 HH TYR 35 HH TYR 35 -4.915 -2.835 -1.094 713 H PHE 36 H PHE 36 -3.697 0.963 5.890 714 HA PHE 36 HA PHE 36 -1.595 -0.569 4.669 715 HB2 PHE 36 2HB PHE 36 -1.639 1.956 6.307 716 HB3 PHE 36 1HB PHE 36 -0.127 1.195 5.817 717 HD1 PHE 36 2HD PHE 36 0.288 0.817 3.357 718 HD2 PHE 36 1HD PHE 36 -2.814 3.344 4.809 719 HE1 PHE 36 2HE PHE 36 0.157 1.912 1.160 720 HE2 PHE 36 1HE PHE 36 -2.953 4.440 2.610 721 HZ PHE 36 HZ PHE 36 -1.466 3.723 0.780 722 H THR 37 H THR 37 -2.934 -0.336 7.884 723 HA THR 37 HA THR 37 -0.686 -1.496 9.225 724 HB THR 37 HB THR 37 -2.252 -1.817 11.117 725 HG1 THR 37 1HG THR 37 -4.129 -1.179 9.144 726 HG21 THR 37 3HG2 THR 37 -1.427 0.281 11.368 727 HG22 THR 37 1HG2 THR 37 -3.131 0.671 11.134 728 HG23 THR 37 2HG2 THR 37 -2.002 0.816 9.792 729 H ARG 38 H ARG 38 -3.597 -2.736 7.724 730 HA ARG 38 HA ARG 38 -3.337 -5.403 8.705 731 HB2 ARG 38 2HB ARG 38 -5.254 -5.860 7.563 732 HB3 ARG 38 1HB ARG 38 -5.365 -4.110 7.502 733 HG2 ARG 38 2HG ARG 38 -4.231 -4.227 5.258 734 HG3 ARG 38 1HG ARG 38 -4.439 -5.976 5.333 735 HD2 ARG 38 2HD ARG 38 -6.914 -5.497 5.729 736 HD3 ARG 38 1HD ARG 38 -6.560 -3.847 5.220 737 HE ARG 38 HE ARG 38 -6.809 -6.149 3.549 738 HH11 ARG 38 1HH1 ARG 38 -5.217 -3.050 3.835 739 HH12 ARG 38 2HH1 ARG 38 -4.969 -2.887 2.132 740 HH21 ARG 38 1HH2 ARG 38 -6.488 -5.922 1.310 741 HH22 ARG 38 2HH2 ARG 38 -5.694 -4.509 0.698 742 H LEU 39 H LEU 39 -2.153 -3.698 5.884 743 HA LEU 39 HA LEU 39 -1.216 -5.969 4.469 744 HB2 LEU 39 2HB LEU 39 -1.592 -3.485 3.710 745 HB3 LEU 39 1HB LEU 39 0.079 -3.280 4.199 746 HG LEU 39 HG LEU 39 -0.871 -5.291 2.153 747 HD11 LEU 39 1HD1 LEU 39 -1.177 -2.946 1.432 748 HD12 LEU 39 2HD1 LEU 39 0.025 -3.815 0.478 749 HD13 LEU 39 3HD1 LEU 39 0.541 -2.665 1.712 750 HD21 LEU 39 3HD2 LEU 39 1.598 -5.310 1.602 751 HD22 LEU 39 1HD2 LEU 39 1.139 -6.078 3.121 752 HD23 LEU 39 2HD2 LEU 39 1.855 -4.467 3.129 753 H ARG 40 H ARG 40 0.557 -3.546 6.398 754 HA ARG 40 HA ARG 40 3.047 -4.804 6.278 755 HB2 ARG 40 2HB ARG 40 1.914 -2.549 7.635 756 HB3 ARG 40 1HB ARG 40 2.842 -3.481 8.799 757 HG2 ARG 40 2HG ARG 40 4.783 -3.387 7.282 758 HG3 ARG 40 1HG ARG 40 3.843 -2.375 6.186 759 HD2 ARG 40 2HD ARG 40 5.207 -0.936 7.515 760 HD3 ARG 40 1HD ARG 40 3.541 -0.759 8.067 761 HE ARG 40 HE ARG 40 4.905 -2.731 9.575 762 HH11 ARG 40 1HH1 ARG 40 4.623 0.726 9.184 763 HH12 ARG 40 2HH1 ARG 40 5.067 1.074 10.822 764 HH21 ARG 40 1HH2 ARG 40 5.490 -2.275 11.729 765 HH22 ARG 40 2HH2 ARG 40 5.560 -0.630 12.266 766 H GLU 41 H GLU 41 0.739 -4.854 9.006 767 HA GLU 41 HA GLU 41 2.047 -6.684 10.600 768 HB2 GLU 41 2HB GLU 41 -0.906 -6.187 10.230 769 HB3 GLU 41 1HB GLU 41 -0.269 -7.256 11.472 770 HG2 GLU 41 2HG GLU 41 1.078 -5.314 12.312 771 HG3 GLU 41 1HG GLU 41 0.170 -4.296 11.198 772 H ALA 42 H ALA 42 0.001 -7.276 7.805 773 HA ALA 42 HA ALA 42 -0.129 -10.117 8.185 774 HB1 ALA 42 1HB ALA 42 -1.065 -10.123 5.881 775 HB2 ALA 42 2HB ALA 42 -0.773 -8.385 5.803 776 HB3 ALA 42 3HB ALA 42 -1.906 -9.037 6.987 777 H ARG 43 H ARG 43 1.949 -7.898 6.469 778 HA ARG 43 HA ARG 43 3.685 -8.198 5.009 779 HB2 ARG 43 2HB ARG 43 5.520 -9.599 6.125 780 HB3 ARG 43 1HB ARG 43 4.898 -8.211 6.993 781 HG2 ARG 43 2HG ARG 43 5.050 -9.815 8.635 782 HG3 ARG 43 1HG ARG 43 3.357 -9.912 8.175 783 HD2 ARG 43 2HD ARG 43 4.269 -12.140 8.400 784 HD3 ARG 43 1HD ARG 43 3.904 -11.828 6.707 785 HE ARG 43 HE ARG 43 6.122 -12.046 6.225 786 HH11 ARG 43 1HH1 ARG 43 5.795 -11.525 9.668 787 HH12 ARG 43 2HH1 ARG 43 7.472 -11.811 9.990 788 HH21 ARG 43 1HH2 ARG 43 8.322 -12.421 6.658 789 HH22 ARG 43 2HH2 ARG 43 8.904 -12.318 8.285 790 H ALA 44 H ALA 44 5.372 -10.108 4.239 791 HA ALA 44 HA ALA 44 5.625 -11.822 2.769 792 HB1 ALA 44 1HB ALA 44 4.896 -13.106 4.795 793 HB2 ALA 44 2HB ALA 44 4.560 -13.897 3.255 794 HB3 ALA 44 3HB ALA 44 3.260 -13.093 4.136 795 H1 ALA 578 1HT ALA 578 11.843 -22.109 8.286 796 H2 ALA 578 2HT ALA 578 11.460 -21.603 6.692 797 H3 ALA 578 3HT ALA 578 10.341 -21.348 7.968 798 HA ALA 578 HA ALA 578 11.940 -19.909 9.047 799 HB1 ALA 578 2HB ALA 578 13.453 -20.099 6.449 800 HB2 ALA 578 3HB ALA 578 13.922 -20.930 7.932 801 HB3 ALA 578 1HB ALA 578 13.892 -19.167 7.881 802 H MET 579 H MET 579 11.182 -19.981 5.569 803 HA MET 579 HA MET 579 9.454 -17.670 5.890 804 HB2 MET 579 2HB MET 579 10.584 -16.525 3.912 805 HB3 MET 579 1HB MET 579 11.438 -16.465 5.450 806 HG2 MET 579 2HG MET 579 12.895 -18.274 4.733 807 HG3 MET 579 1HG MET 579 12.024 -18.381 3.204 808 HE1 MET 579 3HE MET 579 15.531 -17.134 4.183 809 HE2 MET 579 1HE MET 579 15.579 -17.014 2.425 810 HE3 MET 579 2HE MET 579 14.808 -18.402 3.193 811 H ALA 580 H ALA 580 8.389 -17.127 3.743 812 HA ALA 580 HA ALA 580 8.313 -19.156 1.722 813 HB1 ALA 580 1HB ALA 580 7.021 -20.340 3.372 814 HB2 ALA 580 2HB ALA 580 5.944 -19.791 2.088 815 HB3 ALA 580 3HB ALA 580 5.988 -18.934 3.629 816 H ASP 581 H ASP 581 8.366 -17.748 0.074 817 HA ASP 581 HA ASP 581 6.087 -15.980 -0.312 818 HB2 ASP 581 2HB ASP 581 8.932 -15.012 -0.060 819 HB3 ASP 581 1HB ASP 581 7.725 -14.101 -0.965 820 H ILE 582 H ILE 582 5.390 -16.809 -2.183 821 HA ILE 582 HA ILE 582 7.310 -17.066 -4.415 822 HB ILE 582 HB ILE 582 4.836 -18.749 -3.997 823 HG12 ILE 582 2HG1 ILE 582 7.729 -19.596 -3.749 824 HG13 ILE 582 1HG1 ILE 582 6.706 -19.206 -2.370 825 HG21 ILE 582 1HG2 ILE 582 5.862 -20.109 -5.840 826 HG22 ILE 582 2HG2 ILE 582 7.007 -18.790 -6.082 827 HG23 ILE 582 3HG2 ILE 582 5.283 -18.515 -6.322 828 HD11 ILE 582 3HD1 ILE 582 6.959 -21.647 -2.918 829 HD12 ILE 582 1HD1 ILE 582 6.000 -21.335 -4.363 830 HD13 ILE 582 2HD1 ILE 582 5.304 -21.057 -2.767 831 H GLY 583 H GLY 583 3.968 -16.356 -3.471 832 HA2 GLY 583 2HA GLY 583 2.648 -14.619 -4.321 833 HA3 GLY 583 1HA GLY 583 3.790 -14.419 -5.643 834 H SER 584 H SER 584 1.006 -14.435 -5.966 835 HA SER 584 HA SER 584 0.714 -16.752 -7.742 836 HB2 SER 584 2HB SER 584 -0.473 -17.227 -5.579 837 HB3 SER 584 1HB SER 584 -1.499 -15.828 -5.894 838 HG SER 584 HG SER 584 -1.367 -18.285 -7.253 839 H ALA 585 H ALA 585 -0.653 -13.647 -6.691 840 HA ALA 585 HA ALA 585 -1.570 -11.915 -7.842 841 HB1 ALA 585 1HB ALA 585 -0.233 -13.046 -10.290 842 HB2 ALA 585 2HB ALA 585 0.625 -12.130 -9.051 843 HB3 ALA 585 3HB ALA 585 -0.675 -11.369 -9.970 844 H SER 586 H SER 586 -3.715 -12.498 -7.648 845 HA SER 586 HA SER 586 -4.914 -13.940 -9.922 846 HB2 SER 586 2HB SER 586 -5.187 -15.022 -7.686 847 HB3 SER 586 1HB SER 586 -6.069 -13.592 -7.149 848 HG SER 586 HG SER 586 -7.766 -14.431 -8.046 849 H GLY 587 H GLY 587 -7.516 -13.256 -9.688 850 HA2 GLY 587 2HA GLY 587 -7.616 -10.707 -10.889 851 HA3 GLY 587 1HA GLY 587 -9.005 -11.634 -10.339 852 H TYR 588 H TYR 588 -10.123 -9.960 -9.464 853 HA TYR 588 HA TYR 588 -10.786 -9.100 -7.364 854 HB2 TYR 588 2HB TYR 588 -8.526 -9.674 -6.344 855 HB3 TYR 588 1HB TYR 588 -7.959 -8.119 -6.948 856 HD1 TYR 588 2HD TYR 588 -11.002 -9.360 -5.144 857 HD2 TYR 588 1HD TYR 588 -7.849 -6.503 -5.294 858 HE1 TYR 588 2HE TYR 588 -11.881 -8.290 -3.114 859 HE2 TYR 588 1HE TYR 588 -8.719 -5.430 -3.261 860 HH TYR 588 HH TYR 588 -10.961 -6.857 -1.242 861 H VAL 589 H VAL 589 -11.524 -7.032 -7.038 862 HA VAL 589 HA VAL 589 -12.005 -4.848 -7.517 863 HB VAL 589 HB VAL 589 -9.614 -4.626 -9.327 864 HG11 VAL 589 1HG1 VAL 589 -11.108 -2.757 -7.505 865 HG12 VAL 589 2HG1 VAL 589 -10.898 -2.653 -9.253 866 HG13 VAL 589 3HG1 VAL 589 -9.528 -2.364 -8.180 867 HG21 VAL 589 3HG2 VAL 589 -9.610 -4.974 -6.352 868 HG22 VAL 589 1HG2 VAL 589 -8.393 -3.960 -7.125 869 HG23 VAL 589 2HG2 VAL 589 -8.524 -5.663 -7.557 870 HA PRO 590 HA PRO 590 -14.343 -5.987 -11.257 871 HB2 PRO 590 2HB PRO 590 -15.453 -3.268 -10.684 872 HB3 PRO 590 1HB PRO 590 -16.298 -4.772 -11.074 873 HG2 PRO 590 2HG PRO 590 -16.240 -3.890 -8.575 874 HG3 PRO 590 1HG PRO 590 -16.051 -5.619 -8.921 875 HD2 PRO 590 2HD PRO 590 -13.977 -3.601 -8.163 876 HD3 PRO 590 1HD PRO 590 -14.123 -5.308 -7.694 877 H GLU 591 H GLU 591 -15.219 -4.077 -13.029 878 HA GLU 591 HA GLU 591 -12.743 -3.383 -14.361 879 HB2 GLU 591 2HB GLU 591 -15.637 -3.369 -15.181 880 HB3 GLU 591 1HB GLU 591 -14.395 -2.650 -16.198 881 HG2 GLU 591 2HG GLU 591 -14.149 -5.472 -15.227 882 HG3 GLU 591 1HG GLU 591 -15.120 -5.076 -16.644 883 H GLU 592 H GLU 592 -15.707 -1.429 -14.394 884 HA GLU 592 HA GLU 592 -14.537 1.019 -14.733 885 HB2 GLU 592 2HB GLU 592 -16.698 1.813 -13.385 886 HB3 GLU 592 1HB GLU 592 -16.791 1.179 -15.020 887 HG2 GLU 592 2HG GLU 592 -17.684 -0.830 -14.345 888 HG3 GLU 592 1HG GLU 592 -17.038 -0.693 -12.710 889 H ILE 593 H ILE 593 -14.779 -0.804 -11.813 890 HA ILE 593 HA ILE 593 -14.285 1.298 -9.970 891 HB ILE 593 HB ILE 593 -13.989 -1.697 -9.798 892 HG12 ILE 593 2HG1 ILE 593 -16.263 -0.601 -9.850 893 HG13 ILE 593 1HG1 ILE 593 -15.949 -1.610 -8.444 894 HG21 ILE 593 1HG2 ILE 593 -13.715 -1.354 -7.316 895 HG22 ILE 593 2HG2 ILE 593 -13.348 0.334 -7.672 896 HG23 ILE 593 3HG2 ILE 593 -12.310 -0.945 -8.302 897 HD11 ILE 593 3HD1 ILE 593 -15.172 1.075 -7.840 898 HD12 ILE 593 1HD1 ILE 593 -16.425 0.073 -7.107 899 HD13 ILE 593 2HD1 ILE 593 -16.808 1.061 -8.505 900 H TRP 594 H TRP 594 -12.237 -0.816 -11.893 901 HA TRP 594 HA TRP 594 -9.825 0.055 -10.586 902 HB2 TRP 594 2HB TRP 594 -9.864 -2.213 -11.434 903 HB3 TRP 594 1HB TRP 594 -10.238 -1.633 -13.057 904 HD1 TRP 594 HD TRP 594 -8.235 -0.444 -14.426 905 HE1 TRP 594 1HE TRP 594 -5.679 -0.576 -14.163 906 HE3 TRP 594 3HE TRP 594 -8.014 -2.482 -9.755 907 HZ2 TRP 594 2HZ TRP 594 -3.812 -1.444 -12.219 908 HZ3 TRP 594 3HZ TRP 594 -5.817 -2.928 -8.760 909 HH2 TRP 594 HH TRP 594 -3.763 -2.424 -9.963 910 H LYS 595 H LYS 595 -11.399 0.606 -13.693 911 HA LYS 595 HA LYS 595 -9.403 2.153 -14.870 912 HB2 LYS 595 2HB LYS 595 -12.400 2.213 -15.204 913 HB3 LYS 595 1HB LYS 595 -11.288 3.097 -16.240 914 HG2 LYS 595 2HG LYS 595 -10.743 1.268 -17.423 915 HG3 LYS 595 1HG LYS 595 -10.635 0.251 -15.989 916 HD2 LYS 595 2HD LYS 595 -12.403 -0.504 -17.510 917 HD3 LYS 595 1HD LYS 595 -13.056 0.000 -15.953 918 HE2 LYS 595 2HE LYS 595 -14.499 1.245 -17.135 919 HE3 LYS 595 1HE LYS 595 -13.142 2.324 -17.452 920 HZ1 LYS 595 3HZ LYS 595 -13.741 -0.003 -19.182 921 HZ2 LYS 595 1HZ LYS 595 -12.763 1.334 -19.526 922 HZ3 LYS 595 2HZ LYS 595 -14.442 1.515 -19.440 923 H LYS 596 H LYS 596 -12.184 3.156 -12.839 924 HA LYS 596 HA LYS 596 -11.609 5.907 -13.060 925 HB2 LYS 596 2HB LYS 596 -13.204 4.373 -11.011 926 HB3 LYS 596 1HB LYS 596 -13.148 6.127 -11.096 927 HG2 LYS 596 2HG LYS 596 -14.009 4.452 -13.435 928 HG3 LYS 596 1HG LYS 596 -15.136 4.948 -12.173 929 HD2 LYS 596 2HD LYS 596 -13.450 6.870 -13.779 930 HD3 LYS 596 1HD LYS 596 -15.105 6.430 -14.189 931 HE2 LYS 596 2HE LYS 596 -15.614 7.169 -11.736 932 HE3 LYS 596 1HE LYS 596 -14.086 8.037 -11.881 933 HZ1 LYS 596 3HZ LYS 596 -16.634 8.529 -13.204 934 HZ2 LYS 596 1HZ LYS 596 -15.240 8.795 -14.126 935 HZ3 LYS 596 2HZ LYS 596 -15.462 9.624 -12.669 936 H ALA 597 H ALA 597 -11.069 3.736 -10.214 937 HA ALA 597 HA ALA 597 -9.854 5.504 -8.556 938 HB1 ALA 597 1HB ALA 597 -9.307 2.591 -8.993 939 HB2 ALA 597 2HB ALA 597 -10.361 3.337 -7.797 940 HB3 ALA 597 3HB ALA 597 -8.614 3.514 -7.661 941 H GLU 598 H GLU 598 -8.481 3.989 -11.385 942 HA GLU 598 HA GLU 598 -5.757 4.498 -10.856 943 HB2 GLU 598 2HB GLU 598 -7.352 3.827 -13.287 944 HB3 GLU 598 1HB GLU 598 -5.737 4.477 -13.535 945 HG2 GLU 598 2HG GLU 598 -4.866 2.679 -12.048 946 HG3 GLU 598 1HG GLU 598 -6.487 1.986 -12.025 947 H GLU 599 H GLU 599 -8.290 6.475 -12.296 948 HA GLU 599 HA GLU 599 -6.624 8.529 -13.296 949 HB2 GLU 599 2HB GLU 599 -9.073 8.176 -13.827 950 HB3 GLU 599 1HB GLU 599 -9.442 8.882 -12.260 951 HG2 GLU 599 2HG GLU 599 -8.530 10.980 -12.896 952 HG3 GLU 599 1HG GLU 599 -7.841 10.302 -14.370 953 H ALA 600 H ALA 600 -8.253 8.105 -10.168 954 HA ALA 600 HA ALA 600 -7.658 10.539 -9.004 955 HB1 ALA 600 1HB ALA 600 -7.784 9.295 -6.830 956 HB2 ALA 600 2HB ALA 600 -7.917 7.811 -7.775 957 HB3 ALA 600 3HB ALA 600 -9.154 9.060 -7.916 958 H VAL 601 H VAL 601 -5.599 7.662 -9.232 959 HA VAL 601 HA VAL 601 -3.556 8.734 -7.547 960 HB VAL 601 HB VAL 601 -3.226 6.491 -9.539 961 HG11 VAL 601 1HG1 VAL 601 -1.514 5.752 -7.876 962 HG12 VAL 601 2HG1 VAL 601 -1.729 7.295 -7.051 963 HG13 VAL 601 3HG1 VAL 601 -1.122 7.257 -8.706 964 HG21 VAL 601 3HG2 VAL 601 -4.377 6.538 -6.766 965 HG22 VAL 601 1HG2 VAL 601 -3.686 5.073 -7.467 966 HG23 VAL 601 2HG2 VAL 601 -5.071 5.851 -8.233 967 H ASN 602 H ASN 602 -3.960 8.497 -11.050 968 HA ASN 602 HA ASN 602 -1.400 9.525 -11.713 969 HB2 ASN 602 2HB ASN 602 -3.996 9.447 -13.263 970 HB3 ASN 602 1HB ASN 602 -2.476 10.013 -13.950 971 HD21 ASN 602 1HD2 ASN 602 -1.065 8.564 -14.720 972 HD22 ASN 602 2HD2 ASN 602 -1.252 6.849 -14.614 973 H GLU 603 H GLU 603 -4.519 11.010 -11.072 974 HA GLU 603 HA GLU 603 -3.773 13.634 -11.881 975 HB2 GLU 603 2HB GLU 603 -6.130 12.725 -11.604 976 HB3 GLU 603 1HB GLU 603 -5.915 12.937 -9.872 977 HG2 GLU 603 2HG GLU 603 -5.530 15.330 -10.223 978 HG3 GLU 603 1HG GLU 603 -5.781 15.108 -11.954 979 H VAL 604 H VAL 604 -4.206 12.276 -8.567 980 HA VAL 604 HA VAL 604 -3.209 14.529 -7.271 981 HB VAL 604 HB VAL 604 -4.487 12.714 -6.153 982 HG11 VAL 604 1HG1 VAL 604 -1.884 11.235 -5.944 983 HG12 VAL 604 2HG1 VAL 604 -3.088 10.870 -7.180 984 HG13 VAL 604 3HG1 VAL 604 -3.496 10.698 -5.470 985 HG21 VAL 604 3HG2 VAL 604 -2.398 14.317 -5.135 986 HG22 VAL 604 1HG2 VAL 604 -2.269 12.753 -4.336 987 HG23 VAL 604 2HG2 VAL 604 -3.776 13.658 -4.269 988 H LYS 605 H LYS 605 -1.550 11.907 -8.803 989 HA LYS 605 HA LYS 605 0.984 12.376 -7.524 990 HB2 LYS 605 2HB LYS 605 0.069 10.697 -9.824 991 HB3 LYS 605 1HB LYS 605 1.783 11.021 -9.647 992 HG2 LYS 605 2HG LYS 605 1.031 10.225 -7.104 993 HG3 LYS 605 1HG LYS 605 0.073 9.191 -8.157 994 HD2 LYS 605 2HD LYS 605 3.051 9.570 -8.441 995 HD3 LYS 605 1HD LYS 605 2.314 8.276 -7.498 996 HE2 LYS 605 2HE LYS 605 2.343 7.080 -9.389 997 HE3 LYS 605 1HE LYS 605 1.009 8.094 -9.929 998 HZ1 LYS 605 3HZ LYS 605 3.850 8.212 -10.656 999 HZ2 LYS 605 1HZ LYS 605 2.946 9.642 -10.685 1000 HZ3 LYS 605 2HZ LYS 605 2.480 8.329 -11.642 1001 H ARG 606 H ARG 606 -0.377 13.202 -10.699 1002 HA ARG 606 HA ARG 606 1.920 14.578 -11.614 1003 HB2 ARG 606 2HB ARG 606 0.089 13.785 -13.100 1004 HB3 ARG 606 1HB ARG 606 -0.968 15.010 -12.413 1005 HG2 ARG 606 2HG ARG 606 -0.248 15.916 -14.438 1006 HG3 ARG 606 1HG ARG 606 0.746 16.716 -13.223 1007 HD2 ARG 606 2HD ARG 606 2.456 14.838 -13.713 1008 HD3 ARG 606 1HD ARG 606 1.514 14.572 -15.176 1009 HE ARG 606 HE ARG 606 3.309 16.741 -14.641 1010 HH11 ARG 606 1HH1 ARG 606 0.477 15.797 -16.461 1011 HH12 ARG 606 2HH1 ARG 606 0.734 16.976 -17.702 1012 HH21 ARG 606 1HH2 ARG 606 3.642 18.287 -16.275 1013 HH22 ARG 606 2HH2 ARG 606 2.528 18.388 -17.598 1014 H GLN 607 H GLN 607 -0.617 15.398 -9.425 1015 HA GLN 607 HA GLN 607 -0.237 18.246 -9.601 1016 HB2 GLN 607 2HB GLN 607 -2.040 16.410 -8.194 1017 HB3 GLN 607 1HB GLN 607 -1.570 17.786 -7.212 1018 HG2 GLN 607 2HG GLN 607 -2.977 19.125 -8.295 1019 HG3 GLN 607 1HG GLN 607 -2.305 18.675 -9.857 1020 HE21 GLN 607 1HE2 GLN 607 -4.314 17.176 -7.337 1021 HE22 GLN 607 2HE2 GLN 607 -5.499 16.544 -8.425 1022 H ALA 608 H ALA 608 0.411 15.914 -6.901 1023 HA ALA 608 HA ALA 608 1.649 17.580 -5.140 1024 HB1 ALA 608 1HB ALA 608 2.860 15.573 -4.342 1025 HB2 ALA 608 2HB ALA 608 2.298 14.711 -5.772 1026 HB3 ALA 608 3HB ALA 608 1.135 15.308 -4.590 1027 H MET 609 H MET 609 3.040 16.205 -8.047 1028 HA MET 609 HA MET 609 5.748 16.812 -7.431 1029 HB2 MET 609 2HB MET 609 6.137 16.645 -9.903 1030 HB3 MET 609 1HB MET 609 5.338 15.249 -9.195 1031 HG2 MET 609 2HG MET 609 3.283 15.792 -10.144 1032 HG3 MET 609 1HG MET 609 3.769 17.450 -10.481 1033 HE1 MET 609 3HE MET 609 4.343 13.727 -11.267 1034 HE2 MET 609 1HE MET 609 6.033 14.229 -11.294 1035 HE3 MET 609 2HE MET 609 5.235 13.741 -12.787 1036 H THR 610 H THR 610 3.124 18.716 -8.742 1037 HA THR 610 HA THR 610 4.739 20.881 -9.663 1038 HB THR 610 HB THR 610 2.125 20.217 -10.007 1039 HG1 THR 610 1HG THR 610 2.974 21.567 -11.441 1040 HG21 THR 610 3HG2 THR 610 1.461 21.028 -7.771 1041 HG22 THR 610 1HG2 THR 610 0.684 21.897 -9.092 1042 HG23 THR 610 2HG2 THR 610 2.025 22.637 -8.219 1043 H GLU 611 H GLU 611 3.117 20.104 -6.643 1044 HA GLU 611 HA GLU 611 3.496 22.539 -5.302 1045 HB2 GLU 611 2HB GLU 611 2.109 20.557 -4.543 1046 HB3 GLU 611 1HB GLU 611 3.609 19.812 -4.008 1047 HG2 GLU 611 2HG GLU 611 2.645 20.801 -2.109 1048 HG3 GLU 611 1HG GLU 611 3.983 21.847 -2.582 1049 H LEU 612 H LEU 612 5.666 20.008 -6.092 1050 HA LEU 612 HA LEU 612 7.753 20.954 -4.286 1051 HB2 LEU 612 2HB LEU 612 7.169 18.458 -5.475 1052 HB3 LEU 612 1HB LEU 612 8.713 18.958 -6.135 1053 HG LEU 612 HG LEU 612 8.354 19.161 -3.179 1054 HD11 LEU 612 1HD1 LEU 612 9.092 16.785 -2.956 1055 HD12 LEU 612 2HD1 LEU 612 8.670 16.566 -4.655 1056 HD13 LEU 612 3HD1 LEU 612 7.425 17.011 -3.486 1057 HD21 LEU 612 3HD2 LEU 612 10.714 18.530 -3.190 1058 HD22 LEU 612 1HD2 LEU 612 10.417 19.924 -4.231 1059 HD23 LEU 612 2HD2 LEU 612 10.655 18.328 -4.942 1060 H GLN 613 H GLN 613 7.127 20.820 -7.759 1061 HA GLN 613 HA GLN 613 9.614 21.889 -8.566 1062 HB2 GLN 613 2HB GLN 613 6.920 21.631 -9.855 1063 HB3 GLN 613 1HB GLN 613 8.166 22.587 -10.644 1064 HG2 GLN 613 2HG GLN 613 8.614 19.746 -9.783 1065 HG3 GLN 613 1HG GLN 613 7.950 20.173 -11.360 1066 HE21 GLN 613 1HE2 GLN 613 9.308 20.737 -12.951 1067 HE22 GLN 613 2HE2 GLN 613 11.014 20.945 -12.770 1068 H LYS 614 H LYS 614 7.005 23.320 -6.947 1069 HA LYS 614 HA LYS 614 8.257 25.884 -6.959 1070 HB2 LYS 614 2HB LYS 614 6.266 27.095 -7.928 1071 HB3 LYS 614 1HB LYS 614 7.235 26.193 -9.084 1072 HG2 LYS 614 2HG LYS 614 5.592 24.347 -8.960 1073 HG3 LYS 614 1HG LYS 614 4.594 25.347 -7.904 1074 HD2 LYS 614 2HD LYS 614 5.468 26.367 -10.590 1075 HD3 LYS 614 1HD LYS 614 4.087 25.279 -10.454 1076 HE2 LYS 614 2HE LYS 614 4.364 27.874 -8.943 1077 HE3 LYS 614 1HE LYS 614 3.483 27.694 -10.458 1078 HZ1 LYS 614 3HZ LYS 614 1.792 27.392 -9.001 1079 HZ2 LYS 614 1HZ LYS 614 2.781 26.768 -7.778 1080 HZ3 LYS 614 2HZ LYS 614 2.323 25.788 -9.078 1081 H ALA 615 H ALA 615 7.956 24.668 -4.762 1082 HA ALA 615 HA ALA 615 5.440 24.686 -3.498 1083 HB1 ALA 615 1HB ALA 615 7.481 23.430 -2.743 1084 HB2 ALA 615 2HB ALA 615 6.608 24.277 -1.466 1085 HB3 ALA 615 3HB ALA 615 8.101 24.957 -2.112 Start of MODEL 9 1 H1 GLY -7 1HT GLY -7 -25.900 -8.588 2.101 2 H2 GLY -7 2HT GLY -7 -24.899 -7.226 2.177 3 H3 GLY -7 3HT GLY -7 -24.503 -8.616 3.057 4 HA2 GLY -7 1HA GLY -7 -23.081 -8.781 1.269 5 HA3 GLY -7 2HA GLY -7 -24.440 -9.790 0.796 6 H ALA -6 H ALA -6 -22.614 -6.959 0.110 7 HA ALA -6 HA ALA -6 -24.371 -5.607 -1.605 8 HB1 ALA -6 1HB ALA -6 -22.448 -4.441 -2.430 9 HB2 ALA -6 2HB ALA -6 -21.369 -5.710 -1.852 10 HB3 ALA -6 3HB ALA -6 -22.237 -4.697 -0.698 11 H MET -5 H MET -5 -25.069 -6.008 -3.612 12 HA MET -5 HA MET -5 -23.555 -7.387 -5.576 13 HB2 MET -5 2HB MET -5 -24.386 -9.247 -4.013 14 HB3 MET -5 1HB MET -5 -25.988 -8.912 -4.655 15 HG2 MET -5 2HG MET -5 -23.649 -9.570 -6.417 16 HG3 MET -5 1HG MET -5 -24.692 -10.806 -5.720 17 HE1 MET -5 3HE MET -5 -24.037 -10.334 -8.786 18 HE2 MET -5 1HE MET -5 -24.138 -8.573 -8.781 19 HE3 MET -5 2HE MET -5 -25.286 -9.519 -9.727 20 H GLY -4 H GLY -4 -24.138 -5.426 -6.630 21 HA2 GLY -4 2HA GLY -4 -26.299 -5.637 -8.391 22 HA3 GLY -4 1HA GLY -4 -26.799 -4.598 -7.065 23 H SER -3 H SER -3 -24.423 -4.999 -9.639 24 HA SER -3 HA SER -3 -24.262 -2.087 -9.892 25 HB2 SER -3 2HB SER -3 -21.807 -3.855 -9.775 26 HB3 SER -3 1HB SER -3 -21.827 -2.111 -10.038 27 HG SER -3 HG SER -3 -21.452 -3.016 -7.801 28 H MET -2 H MET -2 -23.248 -1.427 -11.964 29 HA MET -2 HA MET -2 -23.024 -3.429 -14.033 30 HB2 MET -2 2HB MET -2 -24.775 -2.437 -15.469 31 HB3 MET -2 1HB MET -2 -25.427 -3.165 -14.008 32 HG2 MET -2 2HG MET -2 -25.363 -0.802 -13.028 33 HG3 MET -2 1HG MET -2 -25.146 -0.262 -14.690 34 HE1 MET -2 3HE MET -2 -27.512 0.806 -12.961 35 HE2 MET -2 1HE MET -2 -27.639 -0.677 -12.012 36 HE3 MET -2 2HE MET -2 -29.009 -0.126 -12.976 37 H SER -1 H SER -1 -23.422 0.070 -13.447 38 HA SER -1 HA SER -1 -20.869 0.700 -14.477 39 HB2 SER -1 2HB SER -1 -21.939 0.148 -16.633 40 HB3 SER -1 1HB SER -1 -23.183 1.355 -16.317 41 HG SER -1 HG SER -1 -21.447 2.913 -16.232 42 H HIS 2 H HIS 2 -21.018 1.791 -12.417 43 HA HIS 2 HA HIS 2 -21.820 4.533 -12.730 44 HB2 HIS 2 2HB HIS 2 -23.135 4.381 -10.461 45 HB3 HIS 2 1HB HIS 2 -23.942 4.006 -11.978 46 HD1 HIS 2 1HD HIS 2 -25.169 1.865 -12.014 47 HD2 HIS 2 2HD HIS 2 -22.203 1.892 -9.105 48 HE1 HIS 2 1HE HIS 2 -25.439 -0.296 -10.759 49 HE2 HIS 2 2HE HIS 2 -23.685 -0.220 -8.953 50 H ILE 3 H ILE 3 -20.126 5.595 -12.004 51 HA ILE 3 HA ILE 3 -18.949 4.895 -9.413 52 HB ILE 3 HB ILE 3 -17.139 5.519 -11.736 53 HG12 ILE 3 2HG1 ILE 3 -18.433 3.465 -12.310 54 HG13 ILE 3 1HG1 ILE 3 -16.712 3.180 -12.112 55 HG21 ILE 3 1HG2 ILE 3 -16.765 4.370 -8.990 56 HG22 ILE 3 2HG2 ILE 3 -16.029 5.807 -9.703 57 HG23 ILE 3 3HG2 ILE 3 -15.538 4.204 -10.245 58 HD11 ILE 3 3HD1 ILE 3 -18.142 2.758 -9.634 59 HD12 ILE 3 1HD1 ILE 3 -17.058 1.687 -10.522 60 HD13 ILE 3 2HD1 ILE 3 -18.767 1.758 -10.945 61 H GLN 4 H GLN 4 -17.569 6.653 -8.553 62 HA GLN 4 HA GLN 4 -17.635 9.212 -9.846 63 HB2 GLN 4 2HB GLN 4 -18.969 10.378 -8.159 64 HB3 GLN 4 1HB GLN 4 -19.919 9.141 -8.972 65 HG2 GLN 4 2HG GLN 4 -19.145 7.679 -6.914 66 HG3 GLN 4 1HG GLN 4 -18.958 9.259 -6.158 67 HE21 GLN 4 1HE2 GLN 4 -21.143 6.844 -7.183 68 HE22 GLN 4 2HE2 GLN 4 -22.601 7.629 -6.692 69 H ILE 5 H ILE 5 -15.489 9.491 -9.549 70 HA ILE 5 HA ILE 5 -13.795 8.757 -7.594 71 HB ILE 5 HB ILE 5 -13.816 11.505 -8.852 72 HG12 ILE 5 2HG1 ILE 5 -13.751 9.851 -10.589 73 HG13 ILE 5 1HG1 ILE 5 -12.113 10.462 -10.393 74 HG21 ILE 5 1HG2 ILE 5 -12.337 11.654 -7.041 75 HG22 ILE 5 2HG2 ILE 5 -11.304 11.308 -8.428 76 HG23 ILE 5 3HG2 ILE 5 -11.720 10.021 -7.296 77 HD11 ILE 5 3HD1 ILE 5 -11.809 8.183 -10.594 78 HD12 ILE 5 1HD1 ILE 5 -13.238 7.808 -9.630 79 HD13 ILE 5 2HD1 ILE 5 -11.783 8.426 -8.847 80 HA PRO 6 HA PRO 6 -16.043 10.457 -3.970 81 HB2 PRO 6 2HB PRO 6 -13.634 9.177 -2.741 82 HB3 PRO 6 1HB PRO 6 -15.325 9.115 -2.232 83 HG2 PRO 6 2HG PRO 6 -14.236 7.050 -3.485 84 HG3 PRO 6 1HG PRO 6 -15.893 7.556 -3.860 85 HD2 PRO 6 2HD PRO 6 -13.387 7.964 -5.429 86 HD3 PRO 6 1HD PRO 6 -15.036 7.653 -5.997 87 HA PRO 7 HA PRO 7 -13.471 14.237 -4.279 88 HB2 PRO 7 2HB PRO 7 -15.457 14.918 -2.136 89 HB3 PRO 7 1HB PRO 7 -14.885 15.902 -3.491 90 HG2 PRO 7 2HG PRO 7 -17.259 14.729 -3.607 91 HG3 PRO 7 1HG PRO 7 -16.210 14.774 -5.036 92 HD2 PRO 7 2HD PRO 7 -16.823 12.500 -3.205 93 HD3 PRO 7 1HD PRO 7 -16.496 12.490 -4.950 94 H GLY 8 H GLY 8 -11.967 15.250 -2.906 95 HA2 GLY 8 2HA GLY 8 -10.744 15.587 -0.948 96 HA3 GLY 8 1HA GLY 8 -11.745 14.397 -0.136 97 H LEU 9 H LEU 9 -11.172 12.504 -2.478 98 HA LEU 9 HA LEU 9 -9.106 11.062 -1.264 99 HB2 LEU 9 2HB LEU 9 -10.581 10.904 -3.831 100 HB3 LEU 9 1HB LEU 9 -9.038 10.074 -3.781 101 HG LEU 9 HG LEU 9 -11.263 9.581 -1.801 102 HD11 LEU 9 1HD1 LEU 9 -11.873 7.658 -3.043 103 HD12 LEU 9 2HD1 LEU 9 -10.500 7.843 -4.135 104 HD13 LEU 9 3HD1 LEU 9 -11.828 9.001 -4.186 105 HD21 LEU 9 3HD2 LEU 9 -8.598 8.298 -2.331 106 HD22 LEU 9 1HD2 LEU 9 -9.903 7.421 -1.532 107 HD23 LEU 9 2HD2 LEU 9 -9.257 8.891 -0.808 108 H THR 10 H THR 10 -9.065 13.465 -3.820 109 HA THR 10 HA THR 10 -6.411 13.027 -4.676 110 HB THR 10 HB THR 10 -6.795 15.655 -5.251 111 HG1 THR 10 1HG THR 10 -9.418 14.633 -5.318 112 HG21 THR 10 3HG2 THR 10 -6.438 14.183 -7.035 113 HG22 THR 10 1HG2 THR 10 -8.027 14.893 -7.324 114 HG23 THR 10 2HG2 THR 10 -7.896 13.259 -6.675 115 H GLU 11 H GLU 11 -7.792 15.384 -2.404 116 HA GLU 11 HA GLU 11 -5.332 16.570 -1.698 117 HB2 GLU 11 2HB GLU 11 -7.985 16.456 -0.264 118 HB3 GLU 11 1HB GLU 11 -6.622 17.411 0.302 119 HG2 GLU 11 2HG GLU 11 -7.833 17.734 -2.428 120 HG3 GLU 11 1HG GLU 11 -8.364 18.647 -1.016 121 H LEU 12 H LEU 12 -7.058 13.774 -0.427 122 HA LEU 12 HA LEU 12 -5.520 13.533 1.944 123 HB2 LEU 12 2HB LEU 12 -7.716 12.173 0.768 124 HB3 LEU 12 1HB LEU 12 -6.481 10.972 1.084 125 HG LEU 12 HG LEU 12 -7.929 11.032 2.971 126 HD11 LEU 12 1HD1 LEU 12 -5.676 12.656 4.041 127 HD12 LEU 12 2HD1 LEU 12 -5.309 11.129 3.239 128 HD13 LEU 12 3HD1 LEU 12 -6.378 11.155 4.639 129 HD21 LEU 12 3HD2 LEU 12 -7.392 13.983 3.247 130 HD22 LEU 12 1HD2 LEU 12 -8.506 12.997 4.195 131 HD23 LEU 12 2HD2 LEU 12 -8.838 13.312 2.492 132 H LEU 13 H LEU 13 -5.298 11.904 -1.218 133 HA LEU 13 HA LEU 13 -3.046 10.334 -0.482 134 HB2 LEU 13 2HB LEU 13 -4.517 10.943 -2.997 135 HB3 LEU 13 1HB LEU 13 -2.880 10.336 -3.158 136 HG LEU 13 HG LEU 13 -3.468 8.303 -1.986 137 HD11 LEU 13 1HD1 LEU 13 -5.777 7.862 -1.287 138 HD12 LEU 13 2HD1 LEU 13 -6.208 9.523 -1.690 139 HD13 LEU 13 3HD1 LEU 13 -5.062 9.200 -0.389 140 HD21 LEU 13 3HD2 LEU 13 -3.846 8.257 -4.348 141 HD22 LEU 13 1HD2 LEU 13 -5.401 9.070 -4.172 142 HD23 LEU 13 2HD2 LEU 13 -5.191 7.425 -3.570 143 H GLN 14 H GLN 14 -3.486 13.564 -1.668 144 HA GLN 14 HA GLN 14 -0.942 14.043 -2.743 145 HB2 GLN 14 2HB GLN 14 -3.235 15.555 -2.364 146 HB3 GLN 14 1HB GLN 14 -2.076 16.339 -1.305 147 HG2 GLN 14 2HG GLN 14 -0.512 16.336 -3.326 148 HG3 GLN 14 1HG GLN 14 -1.949 15.960 -4.271 149 HE21 GLN 14 1HE2 GLN 14 -1.009 18.192 -1.671 150 HE22 GLN 14 2HE2 GLN 14 -1.738 19.592 -2.374 151 H GLY 15 H GLY 15 -2.172 14.368 0.561 152 HA2 GLY 15 2HA GLY 15 0.068 15.499 1.770 153 HA3 GLY 15 1HA GLY 15 -1.061 14.415 2.575 154 H TYR 16 H TYR 16 -0.687 12.089 1.156 155 HA TYR 16 HA TYR 16 1.747 11.130 2.317 156 HB2 TYR 16 2HB TYR 16 -0.200 9.677 2.181 157 HB3 TYR 16 1HB TYR 16 -0.210 9.804 0.425 158 HD1 TYR 16 1HD TYR 16 1.969 8.692 3.246 159 HD2 TYR 16 2HD TYR 16 0.882 8.167 -0.833 160 HE1 TYR 16 1HE TYR 16 3.434 6.720 3.115 161 HE2 TYR 16 2HE TYR 16 2.344 6.193 -0.972 162 HH TYR 16 HH TYR 16 4.657 5.499 0.658 163 H THR 17 H THR 17 0.614 11.563 -1.020 164 HA THR 17 HA THR 17 2.862 10.678 -2.370 165 HB THR 17 HB THR 17 1.121 12.970 -3.276 166 HG1 THR 17 1HG THR 17 -0.452 11.598 -3.152 167 HG21 THR 17 3HG2 THR 17 1.652 12.438 -5.438 168 HG22 THR 17 1HG2 THR 17 2.090 10.778 -5.039 169 HG23 THR 17 2HG2 THR 17 3.182 12.102 -4.633 170 H VAL 18 H VAL 18 2.071 14.094 -1.685 171 HA VAL 18 HA VAL 18 4.426 15.218 -2.622 172 HB VAL 18 HB VAL 18 3.944 17.153 -1.213 173 HG11 VAL 18 1HG1 VAL 18 2.749 17.093 -3.234 174 HG12 VAL 18 2HG1 VAL 18 1.556 17.508 -1.998 175 HG13 VAL 18 3HG1 VAL 18 1.631 15.868 -2.633 176 HG21 VAL 18 3HG2 VAL 18 3.128 16.731 0.843 177 HG22 VAL 18 1HG2 VAL 18 2.444 15.182 0.359 178 HG23 VAL 18 2HG2 VAL 18 1.551 16.669 0.061 179 H GLU 19 H GLU 19 3.785 13.617 0.425 180 HA GLU 19 HA GLU 19 6.179 14.568 1.705 181 HB2 GLU 19 2HB GLU 19 4.096 12.519 2.421 182 HB3 GLU 19 1HB GLU 19 5.546 12.735 3.392 183 HG2 GLU 19 2HG GLU 19 3.720 15.020 2.734 184 HG3 GLU 19 1HG GLU 19 3.451 13.970 4.121 185 H VAL 20 H VAL 20 5.128 11.443 0.354 186 HA VAL 20 HA VAL 20 7.345 9.914 0.888 187 HB VAL 20 HB VAL 20 5.613 9.889 -1.586 188 HG11 VAL 20 1HG1 VAL 20 6.456 7.467 -1.723 189 HG12 VAL 20 2HG1 VAL 20 7.783 8.014 -0.703 190 HG13 VAL 20 3HG1 VAL 20 7.530 8.747 -2.286 191 HG21 VAL 20 3HG2 VAL 20 4.191 8.491 -0.483 192 HG22 VAL 20 1HG2 VAL 20 4.812 9.370 0.913 193 HG23 VAL 20 2HG2 VAL 20 5.467 7.785 0.508 194 H LEU 21 H LEU 21 6.896 12.205 -1.772 195 HA LEU 21 HA LEU 21 9.413 11.628 -3.003 196 HB2 LEU 21 2HB LEU 21 7.261 13.658 -3.366 197 HB3 LEU 21 1HB LEU 21 8.840 14.019 -4.036 198 HG LEU 21 HG LEU 21 8.749 11.919 -5.338 199 HD11 LEU 21 1HD1 LEU 21 7.272 10.662 -3.849 200 HD12 LEU 21 2HD1 LEU 21 6.661 10.685 -5.501 201 HD13 LEU 21 3HD1 LEU 21 5.933 11.725 -4.279 202 HD21 LEU 21 3HD2 LEU 21 6.231 13.411 -5.960 203 HD22 LEU 21 1HD2 LEU 21 7.481 12.803 -7.047 204 HD23 LEU 21 2HD2 LEU 21 7.785 14.236 -6.070 205 H ARG 22 H ARG 22 8.232 14.156 -0.821 206 HA ARG 22 HA ARG 22 10.629 15.663 -0.809 207 HB2 ARG 22 2HB ARG 22 8.219 16.310 -0.067 208 HB3 ARG 22 1HB ARG 22 8.694 15.648 1.488 209 HG2 ARG 22 2HG ARG 22 9.237 17.841 1.814 210 HG3 ARG 22 1HG ARG 22 10.768 17.250 1.170 211 HD2 ARG 22 2HD ARG 22 8.622 18.471 -0.556 212 HD3 ARG 22 1HD ARG 22 9.897 19.421 0.195 213 HE ARG 22 HE ARG 22 10.152 17.604 -2.043 214 HH11 ARG 22 1HH1 ARG 22 11.851 19.385 0.442 215 HH12 ARG 22 2HH1 ARG 22 13.343 19.411 -0.433 216 HH21 ARG 22 1HH2 ARG 22 12.116 17.639 -3.181 217 HH22 ARG 22 2HH2 ARG 22 13.495 18.420 -2.484 218 H GLN 23 H GLN 23 9.694 12.785 0.892 219 HA GLN 23 HA GLN 23 12.018 13.069 2.693 220 HB2 GLN 23 2HB GLN 23 9.459 11.505 2.974 221 HB3 GLN 23 1HB GLN 23 10.852 11.233 4.011 222 HG2 GLN 23 2HG GLN 23 9.537 13.916 3.700 223 HG3 GLN 23 1HG GLN 23 9.071 12.743 4.931 224 HE21 GLN 23 1HE2 GLN 23 11.586 14.880 3.809 225 HE22 GLN 23 2HE2 GLN 23 12.496 14.905 5.277 226 H GLN 24 H GLN 24 10.399 10.858 0.460 227 HA GLN 24 HA GLN 24 11.098 8.959 -0.583 228 HB2 GLN 24 2HB GLN 24 13.707 10.412 -0.190 229 HB3 GLN 24 1HB GLN 24 13.636 8.856 -1.008 230 HG2 GLN 24 2HG GLN 24 12.363 9.713 -2.776 231 HG3 GLN 24 1HG GLN 24 11.937 11.167 -1.878 232 HE21 GLN 24 1HE2 GLN 24 12.691 12.605 -3.375 233 HE22 GLN 24 2HE2 GLN 24 14.367 12.796 -3.750 234 HA PRO 25 HA PRO 25 12.209 6.774 3.301 235 HB2 PRO 25 2HB PRO 25 9.974 5.414 3.693 236 HB3 PRO 25 1HB PRO 25 9.998 7.162 3.966 237 HG2 PRO 25 2HG PRO 25 8.973 5.636 1.600 238 HG3 PRO 25 1HG PRO 25 8.233 7.003 2.447 239 HD2 PRO 25 2HD PRO 25 9.741 7.197 0.120 240 HD3 PRO 25 1HD PRO 25 9.433 8.534 1.246 241 HA PRO 26 HA PRO 26 13.357 2.886 1.503 242 HB2 PRO 26 2HB PRO 26 12.798 1.362 3.928 243 HB3 PRO 26 1HB PRO 26 14.358 1.829 3.250 244 HG2 PRO 26 2HG PRO 26 13.374 2.868 5.562 245 HG3 PRO 26 1HG PRO 26 14.465 3.759 4.485 246 HD2 PRO 26 2HD PRO 26 11.487 3.963 4.757 247 HD3 PRO 26 1HD PRO 26 12.695 5.250 4.567 248 H ASP 27 H ASP 27 10.343 2.850 3.349 249 HA ASP 27 HA ASP 27 9.215 0.966 1.389 250 HB2 ASP 27 2HB ASP 27 8.829 0.869 4.389 251 HB3 ASP 27 1HB ASP 27 7.933 -0.105 3.226 252 H LEU 28 H LEU 28 7.187 1.382 0.725 253 HA LEU 28 HA LEU 28 6.132 3.994 1.193 254 HB2 LEU 28 2HB LEU 28 4.853 1.657 -0.230 255 HB3 LEU 28 1HB LEU 28 4.366 3.338 -0.352 256 HG LEU 28 HG LEU 28 7.084 2.359 -1.218 257 HD11 LEU 28 1HD1 LEU 28 4.539 2.616 -2.804 258 HD12 LEU 28 2HD1 LEU 28 5.538 1.180 -2.586 259 HD13 LEU 28 3HD1 LEU 28 6.142 2.537 -3.536 260 HD21 LEU 28 3HD2 LEU 28 6.998 4.472 -2.558 261 HD22 LEU 28 1HD2 LEU 28 7.054 4.710 -0.812 262 HD23 LEU 28 2HD2 LEU 28 5.530 4.899 -1.679 263 H VAL 29 H VAL 29 5.047 0.706 1.992 264 HA VAL 29 HA VAL 29 2.652 1.340 3.253 265 HB VAL 29 HB VAL 29 4.497 -0.881 4.140 266 HG11 VAL 29 1HG1 VAL 29 1.487 -0.833 4.109 267 HG12 VAL 29 2HG1 VAL 29 2.438 -0.335 5.507 268 HG13 VAL 29 3HG1 VAL 29 2.549 -1.989 4.910 269 HG21 VAL 29 3HG2 VAL 29 4.373 -1.199 1.819 270 HG22 VAL 29 1HG2 VAL 29 2.683 -0.705 1.752 271 HG23 VAL 29 2HG2 VAL 29 3.123 -2.252 2.475 272 H GLU 30 H GLU 30 5.850 0.857 4.760 273 HA GLU 30 HA GLU 30 5.163 1.455 7.376 274 HB2 GLU 30 2HB GLU 30 7.403 0.620 6.407 275 HB3 GLU 30 1HB GLU 30 7.786 2.319 6.176 276 HG2 GLU 30 2HG GLU 30 7.381 2.667 8.610 277 HG3 GLU 30 1HG GLU 30 7.210 0.920 8.774 278 H PHE 31 H PHE 31 6.343 3.669 4.862 279 HA PHE 31 HA PHE 31 6.208 5.999 6.430 280 HB2 PHE 31 2HB PHE 31 7.461 5.690 4.262 281 HB3 PHE 31 1HB PHE 31 5.918 5.880 3.433 282 HD1 PHE 31 2HD PHE 31 8.114 7.577 5.910 283 HD2 PHE 31 1HD PHE 31 5.225 8.002 2.816 284 HE1 PHE 31 2HE PHE 31 8.410 10.016 5.979 285 HE2 PHE 31 1HE PHE 31 5.515 10.448 2.877 286 HZ PHE 31 HZ PHE 31 7.112 11.455 4.462 287 H ALA 32 H ALA 32 3.764 4.232 4.723 288 HA ALA 32 HA ALA 32 1.884 6.394 4.571 289 HB1 ALA 32 1HB ALA 32 0.290 4.638 3.895 290 HB2 ALA 32 2HB ALA 32 1.533 3.428 4.218 291 HB3 ALA 32 3HB ALA 32 1.782 4.634 2.953 292 H VAL 33 H VAL 33 2.296 3.617 6.760 293 HA VAL 33 HA VAL 33 -0.036 4.155 8.296 294 HB VAL 33 HB VAL 33 2.519 2.756 9.131 295 HG11 VAL 33 1HG1 VAL 33 0.971 1.641 10.791 296 HG12 VAL 33 2HG1 VAL 33 -0.205 2.897 10.400 297 HG13 VAL 33 3HG1 VAL 33 1.354 3.335 11.101 298 HG21 VAL 33 3HG2 VAL 33 -0.036 1.700 7.930 299 HG22 VAL 33 1HG2 VAL 33 1.199 0.683 8.675 300 HG23 VAL 33 2HG2 VAL 33 1.585 1.631 7.239 301 H GLU 34 H GLU 34 3.426 4.747 9.047 302 HA GLU 34 HA GLU 34 3.054 6.253 11.323 303 HB2 GLU 34 2HB GLU 34 5.250 7.218 10.925 304 HB3 GLU 34 1HB GLU 34 5.251 5.505 10.533 305 HG2 GLU 34 2HG GLU 34 6.338 6.222 8.698 306 HG3 GLU 34 1HG GLU 34 4.700 6.495 8.107 307 H TYR 35 H TYR 35 2.649 7.227 7.982 308 HA TYR 35 HA TYR 35 2.449 10.035 8.577 309 HB2 TYR 35 2HB TYR 35 3.242 9.256 6.386 310 HB3 TYR 35 1HB TYR 35 1.660 8.548 6.069 311 HD1 TYR 35 1HD TYR 35 3.035 11.844 7.193 312 HD2 TYR 35 2HD TYR 35 0.292 9.795 4.666 313 HE1 TYR 35 1HE TYR 35 2.291 13.996 6.262 314 HE2 TYR 35 2HE TYR 35 -0.456 11.945 3.731 315 HH TYR 35 HH TYR 35 1.174 14.701 3.923 316 H PHE 36 H PHE 36 0.078 7.579 7.506 317 HA PHE 36 HA PHE 36 -2.155 9.287 7.759 318 HB2 PHE 36 2HB PHE 36 -1.746 6.356 7.415 319 HB3 PHE 36 1HB PHE 36 -3.318 6.875 8.009 320 HD1 PHE 36 1HD PHE 36 -4.608 8.581 6.654 321 HD2 PHE 36 2HD PHE 36 -1.239 6.480 5.122 322 HE1 PHE 36 1HE PHE 36 -5.330 9.098 4.361 323 HE2 PHE 36 2HE PHE 36 -1.953 6.997 2.828 324 HZ PHE 36 HZ PHE 36 -4.001 8.309 2.444 325 H THR 37 H THR 37 -0.435 7.341 10.090 326 HA THR 37 HA THR 37 -2.496 7.316 12.056 327 HB THR 37 HB THR 37 -0.588 6.755 13.633 328 HG1 THR 37 1HG THR 37 0.930 6.614 11.254 329 HG21 THR 37 3HG2 THR 37 -1.057 5.118 11.170 330 HG22 THR 37 1HG2 THR 37 -1.745 4.914 12.781 331 HG23 THR 37 2HG2 THR 37 -0.038 4.574 12.502 332 H ARG 38 H ARG 38 0.463 9.296 11.711 333 HA ARG 38 HA ARG 38 -0.120 10.922 13.951 334 HB2 ARG 38 2HB ARG 38 1.688 12.311 13.277 335 HB3 ARG 38 1HB ARG 38 2.146 10.655 12.918 336 HG2 ARG 38 2HG ARG 38 1.879 10.967 10.604 337 HG3 ARG 38 1HG ARG 38 0.994 12.475 10.822 338 HD2 ARG 38 2HD ARG 38 2.877 13.691 10.961 339 HD3 ARG 38 1HD ARG 38 3.660 12.527 12.026 340 HE ARG 38 HE ARG 38 3.698 11.354 9.555 341 HH11 ARG 38 1HH1 ARG 38 4.870 14.360 10.891 342 HH12 ARG 38 2HH1 ARG 38 6.191 14.481 9.780 343 HH21 ARG 38 1HH2 ARG 38 5.438 11.512 8.097 344 HH22 ARG 38 2HH2 ARG 38 6.514 12.865 8.196 345 H LEU 39 H LEU 39 -1.099 11.040 10.610 346 HA LEU 39 HA LEU 39 -1.876 13.702 10.385 347 HB2 LEU 39 2HB LEU 39 -1.921 11.700 8.674 348 HB3 LEU 39 1HB LEU 39 -3.585 11.547 9.200 349 HG LEU 39 HG LEU 39 -2.410 14.090 8.079 350 HD11 LEU 39 1HD1 LEU 39 -3.949 11.890 6.717 351 HD12 LEU 39 2HD1 LEU 39 -2.328 12.466 6.334 352 HD13 LEU 39 3HD1 LEU 39 -3.725 13.502 6.039 353 HD21 LEU 39 3HD2 LEU 39 -4.304 14.574 9.424 354 HD22 LEU 39 1HD2 LEU 39 -5.209 13.213 8.761 355 HD23 LEU 39 2HD2 LEU 39 -4.852 14.612 7.749 356 H ARG 40 H ARG 40 -3.903 10.933 11.365 357 HA ARG 40 HA ARG 40 -6.118 12.533 12.116 358 HB2 ARG 40 2HB ARG 40 -6.055 10.084 13.647 359 HB3 ARG 40 1HB ARG 40 -7.175 10.576 12.388 360 HG2 ARG 40 2HG ARG 40 -5.420 9.801 10.737 361 HG3 ARG 40 1HG ARG 40 -4.604 9.057 12.109 362 HD2 ARG 40 2HD ARG 40 -7.180 8.332 10.797 363 HD3 ARG 40 1HD ARG 40 -5.877 7.295 11.371 364 HE ARG 40 HE ARG 40 -7.273 8.610 13.500 365 HH11 ARG 40 1HH1 ARG 40 -7.350 5.859 11.359 366 HH12 ARG 40 2HH1 ARG 40 -8.329 4.909 12.421 367 HH21 ARG 40 1HH2 ARG 40 -8.556 7.364 14.893 368 HH22 ARG 40 2HH2 ARG 40 -9.015 5.760 14.425 369 H GLU 41 H GLU 41 -3.619 10.911 14.034 370 HA GLU 41 HA GLU 41 -4.441 11.767 16.555 371 HB2 GLU 41 2HB GLU 41 -1.641 11.141 15.611 372 HB3 GLU 41 1HB GLU 41 -2.151 11.225 17.289 373 HG2 GLU 41 2HG GLU 41 -3.450 9.323 15.366 374 HG3 GLU 41 1HG GLU 41 -1.943 8.917 16.184 375 H ALA 42 H ALA 42 -2.630 13.461 14.100 376 HA ALA 42 HA ALA 42 -1.376 15.404 15.659 377 HB1 ALA 42 1HB ALA 42 -2.400 15.466 12.836 378 HB2 ALA 42 2HB ALA 42 -0.740 15.282 13.402 379 HB3 ALA 42 3HB ALA 42 -1.558 16.835 13.561 380 H ARG 43 H ARG 43 -4.626 15.405 14.234 381 HA ARG 43 HA ARG 43 -5.305 17.745 15.878 382 HB2 ARG 43 2HB ARG 43 -7.141 18.116 14.260 383 HB3 ARG 43 1HB ARG 43 -5.536 18.260 13.559 384 HG2 ARG 43 2HG ARG 43 -5.776 16.409 12.253 385 HG3 ARG 43 1HG ARG 43 -6.860 15.607 13.391 386 HD2 ARG 43 2HD ARG 43 -7.890 18.074 12.133 387 HD3 ARG 43 1HD ARG 43 -7.676 16.688 11.064 388 HE ARG 43 HE ARG 43 -9.030 15.897 13.413 389 HH11 ARG 43 1HH1 ARG 43 -9.524 17.698 10.462 390 HH12 ARG 43 2HH1 ARG 43 -11.226 17.379 10.405 391 HH21 ARG 43 1HH2 ARG 43 -11.268 15.478 13.339 392 HH22 ARG 43 2HH2 ARG 43 -12.215 16.120 12.038 393 H ALA 44 H ALA 44 -5.313 14.954 16.758 394 HA ALA 44 HA ALA 44 -7.838 14.942 18.056 395 HB1 ALA 44 1HB ALA 44 -7.473 12.689 16.093 396 HB2 ALA 44 2HB ALA 44 -8.444 14.122 15.751 397 HB3 ALA 44 3HB ALA 44 -8.888 13.052 17.081 398 H1 GLY -7 1HT GLY -7 1.219 31.536 -3.289 399 H2 GLY -7 2HT GLY -7 0.819 30.990 -4.839 400 H3 GLY -7 3HT GLY -7 1.254 32.606 -4.598 401 HA2 GLY -7 1HA GLY -7 3.175 30.541 -3.822 402 HA3 GLY -7 2HA GLY -7 2.959 30.859 -5.537 403 H ALA -6 H ALA -6 5.166 31.581 -5.564 404 HA ALA -6 HA ALA -6 5.402 34.399 -5.312 405 HB1 ALA -6 1HB ALA -6 6.975 32.754 -3.332 406 HB2 ALA -6 2HB ALA -6 5.665 33.873 -2.952 407 HB3 ALA -6 3HB ALA -6 7.177 34.481 -3.625 408 H MET -5 H MET -5 7.248 31.362 -5.403 409 HA MET -5 HA MET -5 8.373 31.928 -7.935 410 HB2 MET -5 2HB MET -5 10.747 32.144 -7.216 411 HB3 MET -5 1HB MET -5 9.751 33.523 -6.774 412 HG2 MET -5 2HG MET -5 9.525 32.514 -4.496 413 HG3 MET -5 1HG MET -5 10.722 31.316 -4.980 414 HE1 MET -5 3HE MET -5 10.553 35.025 -3.296 415 HE2 MET -5 1HE MET -5 9.832 34.930 -4.903 416 HE3 MET -5 2HE MET -5 11.335 35.819 -4.663 417 H GLY -4 H GLY -4 8.774 30.198 -4.874 418 HA2 GLY -4 2HA GLY -4 8.496 27.809 -4.791 419 HA3 GLY -4 1HA GLY -4 9.152 27.707 -6.416 420 H SER -3 H SER -3 11.046 26.680 -6.370 421 HA SER -3 HA SER -3 13.206 27.677 -4.753 422 HB2 SER -3 2HB SER -3 13.666 25.486 -3.643 423 HB3 SER -3 1HB SER -3 12.179 26.253 -3.085 424 HG SER -3 HG SER -3 11.589 24.202 -3.488 425 H MET -2 H MET -2 12.535 27.225 -7.571 426 HA MET -2 HA MET -2 13.256 26.084 -9.462 427 HB2 MET -2 2HB MET -2 15.476 26.827 -10.010 428 HB3 MET -2 1HB MET -2 14.650 28.092 -9.116 429 HG2 MET -2 2HG MET -2 15.877 26.995 -7.062 430 HG3 MET -2 1HG MET -2 16.961 26.393 -8.312 431 HE1 MET -2 3HE MET -2 15.093 29.320 -6.942 432 HE2 MET -2 1HE MET -2 16.108 30.736 -7.214 433 HE3 MET -2 2HE MET -2 16.513 29.594 -5.933 434 H SER -1 H SER -1 12.966 23.911 -9.404 435 HA SER -1 HA SER -1 15.256 22.254 -9.270 436 HB2 SER -1 2HB SER -1 14.884 22.558 -6.831 437 HB3 SER -1 1HB SER -1 13.263 21.889 -7.015 438 HG SER -1 HG SER -1 14.610 20.238 -6.388 439 H HIS 2 H HIS 2 13.725 19.847 -8.493 440 HA HIS 2 HA HIS 2 11.412 19.641 -10.097 441 HB2 HIS 2 2HB HIS 2 13.565 19.627 -11.700 442 HB3 HIS 2 1HB HIS 2 13.555 17.923 -11.258 443 HD1 HIS 2 1HD HIS 2 13.047 18.609 -14.146 444 HD2 HIS 2 2HD HIS 2 9.990 18.315 -11.335 445 HE1 HIS 2 1HE HIS 2 10.956 18.161 -15.468 446 HE2 HIS 2 2HE HIS 2 9.134 17.917 -13.745 447 H ILE 3 H ILE 3 11.402 16.906 -10.617 448 HA ILE 3 HA ILE 3 12.350 15.421 -8.396 449 HB ILE 3 HB ILE 3 10.296 16.971 -7.674 450 HG12 ILE 3 2HG1 ILE 3 10.096 14.229 -6.537 451 HG13 ILE 3 1HG1 ILE 3 11.673 15.007 -6.449 452 HG21 ILE 3 1HG2 ILE 3 8.828 14.456 -8.380 453 HG22 ILE 3 2HG2 ILE 3 8.863 15.868 -9.437 454 HG23 ILE 3 3HG2 ILE 3 8.184 15.996 -7.818 455 HD11 ILE 3 3HD1 ILE 3 10.514 16.982 -5.420 456 HD12 ILE 3 1HD1 ILE 3 10.557 15.512 -4.444 457 HD13 ILE 3 2HD1 ILE 3 9.085 15.962 -5.302 458 H GLN 4 H GLN 4 10.958 13.267 -8.237 459 HA GLN 4 HA GLN 4 9.826 12.405 -10.753 460 HB2 GLN 4 2HB GLN 4 11.441 10.452 -10.903 461 HB3 GLN 4 1HB GLN 4 12.092 12.022 -11.352 462 HG2 GLN 4 2HG GLN 4 12.445 10.848 -8.611 463 HG3 GLN 4 1HG GLN 4 13.566 10.540 -9.935 464 HE21 GLN 4 1HE2 GLN 4 14.655 12.363 -10.879 465 HE22 GLN 4 2HE2 GLN 4 14.981 13.762 -9.918 466 H ILE 5 H ILE 5 8.271 10.960 -10.391 467 HA ILE 5 HA ILE 5 7.666 10.147 -7.729 468 HB ILE 5 HB ILE 5 6.359 9.124 -10.246 469 HG12 ILE 5 2HG1 ILE 5 6.488 11.671 -10.117 470 HG13 ILE 5 1HG1 ILE 5 4.882 10.982 -10.256 471 HG21 ILE 5 1HG2 ILE 5 4.365 9.213 -8.530 472 HG22 ILE 5 2HG2 ILE 5 5.663 9.119 -7.345 473 HG23 ILE 5 3HG2 ILE 5 5.481 7.850 -8.556 474 HD11 ILE 5 3HD1 ILE 5 5.724 11.395 -7.496 475 HD12 ILE 5 1HD1 ILE 5 4.229 11.846 -8.316 476 HD13 ILE 5 2HD1 ILE 5 5.658 12.871 -8.456 477 HA PRO 6 HA PRO 6 10.307 6.458 -7.809 478 HB2 PRO 6 2HB PRO 6 8.470 5.747 -5.556 479 HB3 PRO 6 1HB PRO 6 10.235 5.662 -5.639 480 HG2 PRO 6 2HG PRO 6 9.036 7.621 -4.300 481 HG3 PRO 6 1HG PRO 6 10.493 7.936 -5.262 482 HD2 PRO 6 2HD PRO 6 7.644 8.597 -5.863 483 HD3 PRO 6 1HD PRO 6 9.124 9.499 -6.251 484 HA PRO 7 HA PRO 7 7.593 3.533 -9.786 485 HB2 PRO 7 2HB PRO 7 9.074 1.320 -9.791 486 HB3 PRO 7 1HB PRO 7 9.626 2.772 -10.638 487 HG2 PRO 7 2HG PRO 7 10.440 1.729 -7.948 488 HG3 PRO 7 1HG PRO 7 11.458 2.376 -9.249 489 HD2 PRO 7 2HD PRO 7 10.612 3.836 -7.059 490 HD3 PRO 7 1HD PRO 7 11.089 4.544 -8.615 491 H GLY 8 H GLY 8 5.961 2.125 -9.316 492 HA2 GLY 8 2HA GLY 8 4.934 0.328 -8.168 493 HA3 GLY 8 1HA GLY 8 6.092 0.520 -6.861 494 H LEU 9 H LEU 9 5.645 3.456 -6.811 495 HA LEU 9 HA LEU 9 3.785 3.615 -4.765 496 HB2 LEU 9 2HB LEU 9 5.581 5.285 -5.539 497 HB3 LEU 9 1HB LEU 9 4.357 5.906 -6.628 498 HG LEU 9 HG LEU 9 3.680 5.689 -3.723 499 HD11 LEU 9 1HD1 LEU 9 5.270 7.981 -4.859 500 HD12 LEU 9 2HD1 LEU 9 5.933 6.725 -3.814 501 HD13 LEU 9 3HD1 LEU 9 4.679 7.805 -3.207 502 HD21 LEU 9 3HD2 LEU 9 2.360 7.672 -4.217 503 HD22 LEU 9 1HD2 LEU 9 1.985 6.378 -5.353 504 HD23 LEU 9 2HD2 LEU 9 3.014 7.717 -5.854 505 H THR 10 H THR 10 3.330 4.254 -8.229 506 HA THR 10 HA THR 10 0.753 5.226 -8.192 507 HB THR 10 HB THR 10 1.712 3.257 -10.266 508 HG1 THR 10 1HG THR 10 3.353 4.666 -10.194 509 HG21 THR 10 3HG2 THR 10 0.370 5.681 -11.162 510 HG22 THR 10 1HG2 THR 10 -0.655 4.667 -10.146 511 HG23 THR 10 2HG2 THR 10 0.084 4.000 -11.604 512 H GLU 11 H GLU 11 1.803 1.856 -8.079 513 HA GLU 11 HA GLU 11 -0.779 0.714 -8.246 514 HB2 GLU 11 2HB GLU 11 1.453 -0.425 -8.663 515 HB3 GLU 11 1HB GLU 11 1.615 -0.547 -6.917 516 HG2 GLU 11 2HG GLU 11 -0.727 -1.656 -8.438 517 HG3 GLU 11 1HG GLU 11 0.729 -2.583 -8.081 518 H LEU 12 H LEU 12 1.327 1.358 -5.438 519 HA LEU 12 HA LEU 12 -0.230 0.285 -3.440 520 HB2 LEU 12 2HB LEU 12 1.840 2.370 -3.593 521 HB3 LEU 12 1HB LEU 12 0.776 2.524 -2.209 522 HG LEU 12 HG LEU 12 2.798 1.265 -1.657 523 HD11 LEU 12 1HD1 LEU 12 1.768 -0.329 -0.362 524 HD12 LEU 12 2HD1 LEU 12 0.615 -0.775 -1.617 525 HD13 LEU 12 3HD1 LEU 12 0.414 0.735 -0.730 526 HD21 LEU 12 3HD2 LEU 12 1.826 -0.796 -3.629 527 HD22 LEU 12 1HD2 LEU 12 3.279 -0.875 -2.635 528 HD23 LEU 12 2HD2 LEU 12 3.157 0.322 -3.922 529 H LEU 13 H LEU 13 -0.355 3.690 -4.529 530 HA LEU 13 HA LEU 13 -2.545 4.414 -2.928 531 HB2 LEU 13 2HB LEU 13 -1.365 5.517 -5.457 532 HB3 LEU 13 1HB LEU 13 -2.854 6.189 -4.821 533 HG LEU 13 HG LEU 13 -1.777 6.921 -2.822 534 HD11 LEU 13 1HD1 LEU 13 0.644 6.527 -2.449 535 HD12 LEU 13 2HD1 LEU 13 0.627 5.394 -3.797 536 HD13 LEU 13 3HD1 LEU 13 -0.336 5.065 -2.357 537 HD21 LEU 13 3HD2 LEU 13 -0.107 7.513 -5.260 538 HD22 LEU 13 1HD2 LEU 13 -0.001 8.403 -3.741 539 HD23 LEU 13 2HD2 LEU 13 -1.499 8.423 -4.673 540 H GLN 14 H GLN 14 -2.347 3.020 -6.153 541 HA GLN 14 HA GLN 14 -5.063 3.267 -6.835 542 HB2 GLN 14 2HB GLN 14 -3.068 2.576 -8.324 543 HB3 GLN 14 1HB GLN 14 -3.390 0.945 -7.750 544 HG2 GLN 14 2HG GLN 14 -5.844 1.514 -8.503 545 HG3 GLN 14 1HG GLN 14 -5.027 2.702 -9.513 546 HE21 GLN 14 1HE2 GLN 14 -2.657 1.000 -9.833 547 HE22 GLN 14 2HE2 GLN 14 -3.115 -0.236 -10.947 548 H GLY 15 H GLY 15 -3.302 0.754 -5.093 549 HA2 GLY 15 2HA GLY 15 -5.298 -1.187 -4.950 550 HA3 GLY 15 1HA GLY 15 -4.028 -0.963 -3.758 551 H TYR 16 H TYR 16 -4.896 1.754 -3.107 552 HA TYR 16 HA TYR 16 -6.860 1.063 -1.119 553 HB2 TYR 16 2HB TYR 16 -5.007 2.533 -0.547 554 HB3 TYR 16 1HB TYR 16 -5.506 3.685 -1.779 555 HD1 TYR 16 2HD TYR 16 -6.913 1.960 1.229 556 HD2 TYR 16 1HD TYR 16 -6.723 5.532 -1.076 557 HE1 TYR 16 2HE TYR 16 -8.303 3.108 2.908 558 HE2 TYR 16 1HE TYR 16 -8.109 6.688 0.591 559 HH TYR 16 HH TYR 16 -9.688 6.192 2.338 560 H THR 17 H THR 17 -6.741 3.370 -3.839 561 HA THR 17 HA THR 17 -9.276 4.444 -3.585 562 HB THR 17 HB THR 17 -9.072 4.544 -6.235 563 HG1 THR 17 1HG THR 17 -6.374 4.148 -5.535 564 HG21 THR 17 3HG2 THR 17 -8.760 6.625 -5.431 565 HG22 THR 17 1HG2 THR 17 -7.074 6.267 -5.801 566 HG23 THR 17 2HG2 THR 17 -7.669 6.092 -4.151 567 H VAL 18 H VAL 18 -8.370 1.662 -5.655 568 HA VAL 18 HA VAL 18 -10.788 1.052 -6.727 569 HB VAL 18 HB VAL 18 -10.087 -1.324 -6.816 570 HG11 VAL 18 1HG1 VAL 18 -7.957 0.702 -7.489 571 HG12 VAL 18 2HG1 VAL 18 -9.281 0.168 -8.523 572 HG13 VAL 18 3HG1 VAL 18 -7.993 -0.955 -8.089 573 HG21 VAL 18 3HG2 VAL 18 -7.794 -1.858 -5.923 574 HG22 VAL 18 1HG2 VAL 18 -9.054 -1.661 -4.706 575 HG23 VAL 18 2HG2 VAL 18 -7.894 -0.363 -4.992 576 H GLU 19 H GLU 19 -9.712 0.128 -3.474 577 HA GLU 19 HA GLU 19 -12.149 -1.337 -2.960 578 HB2 GLU 19 2HB GLU 19 -11.298 -1.622 -0.687 579 HB3 GLU 19 1HB GLU 19 -10.089 -2.062 -1.884 580 HG2 GLU 19 2HG GLU 19 -8.796 -0.172 -1.448 581 HG3 GLU 19 1HG GLU 19 -10.115 0.656 -0.624 582 H VAL 20 H VAL 20 -10.931 1.885 -2.374 583 HA VAL 20 HA VAL 20 -12.830 2.694 -0.453 584 HB VAL 20 HB VAL 20 -11.295 4.312 -2.495 585 HG11 VAL 20 1HG1 VAL 20 -11.853 6.252 -0.950 586 HG12 VAL 20 2HG1 VAL 20 -13.108 5.215 -0.273 587 HG13 VAL 20 3HG1 VAL 20 -13.157 5.661 -1.978 588 HG21 VAL 20 3HG2 VAL 20 -10.753 4.460 0.424 589 HG22 VAL 20 1HG2 VAL 20 -9.644 4.574 -0.941 590 HG23 VAL 20 2HG2 VAL 20 -10.244 3.001 -0.420 591 H LEU 21 H LEU 21 -12.742 3.291 -3.967 592 HA LEU 21 HA LEU 21 -15.208 4.505 -4.230 593 HB2 LEU 21 2HB LEU 21 -13.585 2.794 -6.086 594 HB3 LEU 21 1HB LEU 21 -15.155 3.392 -6.584 595 HG LEU 21 HG LEU 21 -13.794 5.656 -5.607 596 HD11 LEU 21 1HD1 LEU 21 -11.668 4.607 -5.683 597 HD12 LEU 21 2HD1 LEU 21 -11.777 5.663 -7.089 598 HD13 LEU 21 3HD1 LEU 21 -11.987 3.922 -7.276 599 HD21 LEU 21 3HD2 LEU 21 -15.406 5.525 -7.479 600 HD22 LEU 21 1HD2 LEU 21 -14.144 4.792 -8.471 601 HD23 LEU 21 2HD2 LEU 21 -13.951 6.440 -7.874 602 H ARG 22 H ARG 22 -14.450 1.041 -4.259 603 HA ARG 22 HA ARG 22 -17.107 0.190 -4.807 604 HB2 ARG 22 2HB ARG 22 -14.706 -1.233 -3.679 605 HB3 ARG 22 1HB ARG 22 -16.237 -2.044 -3.979 606 HG2 ARG 22 2HG ARG 22 -16.072 -1.353 -6.353 607 HG3 ARG 22 1HG ARG 22 -14.465 -0.714 -6.006 608 HD2 ARG 22 2HD ARG 22 -15.348 -3.571 -5.634 609 HD3 ARG 22 1HD ARG 22 -14.358 -2.969 -6.961 610 HE ARG 22 HE ARG 22 -12.976 -2.242 -4.740 611 HH11 ARG 22 1HH1 ARG 22 -14.230 -5.282 -5.924 612 HH12 ARG 22 2HH1 ARG 22 -13.010 -6.228 -5.144 613 HH21 ARG 22 1HH2 ARG 22 -11.369 -3.490 -3.723 614 HH22 ARG 22 2HH2 ARG 22 -11.383 -5.212 -3.900 615 H GLN 23 H GLN 23 -15.521 1.107 -1.841 616 HA GLN 23 HA GLN 23 -17.714 -0.088 -0.269 617 HB2 GLN 23 2HB GLN 23 -14.964 0.861 0.524 618 HB3 GLN 23 1HB GLN 23 -16.198 0.401 1.691 619 HG2 GLN 23 2HG GLN 23 -16.286 -1.838 0.672 620 HG3 GLN 23 1HG GLN 23 -14.988 -1.367 -0.424 621 HE21 GLN 23 1HE2 GLN 23 -15.659 -1.181 3.062 622 HE22 GLN 23 2HE2 GLN 23 -14.115 -1.772 3.562 623 H GLN 24 H GLN 24 -15.850 2.920 -0.536 624 HA GLN 24 HA GLN 24 -16.399 5.081 -0.162 625 HB2 GLN 24 2HB GLN 24 -19.279 4.178 -0.036 626 HB3 GLN 24 1HB GLN 24 -18.692 5.804 -0.343 627 HG2 GLN 24 2HG GLN 24 -18.017 3.523 -2.170 628 HG3 GLN 24 1HG GLN 24 -19.520 4.428 -2.328 629 HE21 GLN 24 1HE2 GLN 24 -17.943 4.453 -4.443 630 HE22 GLN 24 2HE2 GLN 24 -17.131 5.967 -4.620 631 HA PRO 25 HA PRO 25 -16.858 4.261 4.340 632 HB2 PRO 25 2HB PRO 25 -14.479 5.140 5.167 633 HB3 PRO 25 1HB PRO 25 -14.636 3.573 4.363 634 HG2 PRO 25 2HG PRO 25 -13.727 6.195 3.235 635 HG3 PRO 25 1HG PRO 25 -13.043 4.578 2.994 636 HD2 PRO 25 2HD PRO 25 -14.760 5.832 1.228 637 HD3 PRO 25 1HD PRO 25 -14.531 4.074 1.326 638 HA PRO 26 HA PRO 26 -17.963 8.369 5.570 639 HB2 PRO 26 2HB PRO 26 -17.028 8.004 8.314 640 HB3 PRO 26 1HB PRO 26 -18.683 8.062 7.704 641 HG2 PRO 26 2HG PRO 26 -17.549 5.794 8.673 642 HG3 PRO 26 1HG PRO 26 -18.795 5.789 7.412 643 HD2 PRO 26 2HD PRO 26 -15.822 5.506 7.138 644 HD3 PRO 26 1HD PRO 26 -17.122 4.615 6.320 645 H ASP 27 H ASP 27 -14.754 7.308 6.593 646 HA ASP 27 HA ASP 27 -13.765 10.048 6.172 647 HB2 ASP 27 2HB ASP 27 -13.990 9.467 8.627 648 HB3 ASP 27 1HB ASP 27 -12.755 8.238 8.369 649 H LEU 28 H LEU 28 -11.935 10.223 5.040 650 HA LEU 28 HA LEU 28 -10.905 7.840 3.777 651 HB2 LEU 28 2HB LEU 28 -10.176 10.745 3.432 652 HB3 LEU 28 1HB LEU 28 -9.555 9.435 2.446 653 HG LEU 28 HG LEU 28 -12.490 10.099 2.634 654 HD11 LEU 28 1HD1 LEU 28 -10.439 11.045 0.642 655 HD12 LEU 28 2HD1 LEU 28 -11.402 12.038 1.736 656 HD13 LEU 28 3HD1 LEU 28 -12.184 11.169 0.416 657 HD21 LEU 28 3HD2 LEU 28 -12.185 7.881 1.868 658 HD22 LEU 28 1HD2 LEU 28 -10.842 8.346 0.826 659 HD23 LEU 28 2HD2 LEU 28 -12.483 8.856 0.431 660 H VAL 29 H VAL 29 -9.928 10.070 6.267 661 HA VAL 29 HA VAL 29 -7.156 9.415 6.253 662 HB VAL 29 HB VAL 29 -8.642 10.410 8.682 663 HG11 VAL 29 1HG1 VAL 29 -6.592 11.267 9.394 664 HG12 VAL 29 2HG1 VAL 29 -5.899 11.217 7.773 665 HG13 VAL 29 3HG1 VAL 29 -6.150 9.722 8.667 666 HG21 VAL 29 3HG2 VAL 29 -8.017 12.727 7.754 667 HG22 VAL 29 1HG2 VAL 29 -9.428 11.917 7.078 668 HG23 VAL 29 2HG2 VAL 29 -7.905 11.920 6.190 669 H GLU 30 H GLU 30 -9.947 8.231 8.078 670 HA GLU 30 HA GLU 30 -8.419 6.472 9.727 671 HB2 GLU 30 2HB GLU 30 -11.379 6.469 9.123 672 HB3 GLU 30 1HB GLU 30 -10.598 5.566 10.413 673 HG2 GLU 30 2HG GLU 30 -9.821 7.752 11.352 674 HG3 GLU 30 1HG GLU 30 -10.839 8.550 10.153 675 H PHE 31 H PHE 31 -10.695 5.856 7.054 676 HA PHE 31 HA PHE 31 -10.376 3.128 6.835 677 HB2 PHE 31 2HB PHE 31 -12.004 4.599 5.594 678 HB3 PHE 31 1HB PHE 31 -10.697 4.980 4.479 679 HD1 PHE 31 2HD PHE 31 -12.420 2.036 5.980 680 HD2 PHE 31 1HD PHE 31 -10.474 3.695 2.582 681 HE1 PHE 31 2HE PHE 31 -12.958 0.010 4.691 682 HE2 PHE 31 1HE PHE 31 -11.007 1.669 1.285 683 HZ PHE 31 HZ PHE 31 -12.248 -0.174 2.340 684 H ALA 32 H ALA 32 -8.145 5.614 5.925 685 HA ALA 32 HA ALA 32 -6.579 3.965 4.171 686 HB1 ALA 32 1HB ALA 32 -6.528 6.269 3.725 687 HB2 ALA 32 2HB ALA 32 -4.932 5.869 4.373 688 HB3 ALA 32 3HB ALA 32 -6.128 6.663 5.398 689 H VAL 33 H VAL 33 -6.378 4.925 7.571 690 HA VAL 33 HA VAL 33 -3.793 3.937 8.031 691 HB VAL 33 HB VAL 33 -5.514 5.328 9.573 692 HG11 VAL 33 1HG1 VAL 33 -6.914 3.351 10.059 693 HG12 VAL 33 2HG1 VAL 33 -6.210 4.068 11.505 694 HG13 VAL 33 3HG1 VAL 33 -5.527 2.590 10.840 695 HG21 VAL 33 3HG2 VAL 33 -3.095 5.228 9.851 696 HG22 VAL 33 1HG2 VAL 33 -3.241 3.645 10.619 697 HG23 VAL 33 2HG2 VAL 33 -3.919 5.072 11.403 698 H GLU 34 H GLU 34 -6.947 2.371 8.172 699 HA GLU 34 HA GLU 34 -6.053 -0.089 9.242 700 HB2 GLU 34 2HB GLU 34 -8.467 0.446 7.505 701 HB3 GLU 34 1HB GLU 34 -8.208 -0.975 8.508 702 HG2 GLU 34 2HG GLU 34 -8.144 0.546 10.493 703 HG3 GLU 34 1HG GLU 34 -8.639 1.856 9.422 704 H TYR 35 H TYR 35 -6.657 0.973 5.913 705 HA TYR 35 HA TYR 35 -6.129 -1.432 4.607 706 HB2 TYR 35 2HB TYR 35 -7.121 0.545 3.522 707 HB3 TYR 35 1HB TYR 35 -5.574 1.376 3.628 708 HD1 TYR 35 1HD TYR 35 -7.215 -1.617 2.145 709 HD2 TYR 35 2HD TYR 35 -4.002 1.159 1.895 710 HE1 TYR 35 1HE TYR 35 -6.603 -2.531 -0.059 711 HE2 TYR 35 2HE TYR 35 -3.376 0.246 -0.302 712 HH TYR 35 HH TYR 35 -3.694 -2.010 -1.517 713 H PHE 36 H PHE 36 -3.865 1.260 5.266 714 HA PHE 36 HA PHE 36 -1.622 -0.118 4.208 715 HB2 PHE 36 2HB PHE 36 -1.983 2.359 5.859 716 HB3 PHE 36 1HB PHE 36 -0.368 1.695 5.627 717 HD1 PHE 36 1HD PHE 36 0.333 1.206 3.189 718 HD2 PHE 36 2HD PHE 36 -2.853 3.818 4.259 719 HE1 PHE 36 1HE PHE 36 0.498 2.300 0.993 720 HE2 PHE 36 2HE PHE 36 -2.695 4.916 2.063 721 HZ PHE 36 HZ PHE 36 -1.018 4.154 0.424 722 H THR 37 H THR 37 -2.671 0.456 7.583 723 HA THR 37 HA THR 37 -0.562 -0.877 8.828 724 HB THR 37 HB THR 37 -2.118 -1.195 10.743 725 HG1 THR 37 1HG THR 37 -3.990 -0.368 8.817 726 HG21 THR 37 3HG2 THR 37 -1.225 0.875 11.003 727 HG22 THR 37 1HG2 THR 37 -2.918 1.317 10.789 728 HG23 THR 37 2HG2 THR 37 -1.795 1.447 9.436 729 H ARG 38 H ARG 38 -3.600 -2.112 7.538 730 HA ARG 38 HA ARG 38 -3.491 -4.736 8.479 731 HB2 ARG 38 2HB ARG 38 -4.730 -3.448 6.080 732 HB3 ARG 38 1HB ARG 38 -4.693 -5.203 6.158 733 HG2 ARG 38 2HG ARG 38 -6.003 -5.243 8.124 734 HG3 ARG 38 1HG ARG 38 -5.820 -3.507 8.369 735 HD2 ARG 38 2HD ARG 38 -7.048 -3.148 6.228 736 HD3 ARG 38 1HD ARG 38 -7.348 -4.883 6.162 737 HE ARG 38 HE ARG 38 -8.700 -2.956 7.789 738 HH11 ARG 38 1HH1 ARG 38 -7.765 -6.320 7.598 739 HH12 ARG 38 2HH1 ARG 38 -9.043 -6.857 8.633 740 HH21 ARG 38 1HH2 ARG 38 -10.375 -3.670 9.147 741 HH22 ARG 38 2HH2 ARG 38 -10.523 -5.357 9.512 742 H LEU 39 H LEU 39 -2.098 -3.346 5.537 743 HA LEU 39 HA LEU 39 -0.901 -5.795 4.664 744 HB2 LEU 39 2HB LEU 39 -0.222 -2.954 3.893 745 HB3 LEU 39 1HB LEU 39 0.290 -4.399 3.042 746 HG LEU 39 HG LEU 39 -2.603 -3.602 3.360 747 HD11 LEU 39 1HD1 LEU 39 -1.514 -1.868 2.102 748 HD12 LEU 39 2HD1 LEU 39 -2.446 -2.877 0.995 749 HD13 LEU 39 3HD1 LEU 39 -0.694 -3.058 1.090 750 HD21 LEU 39 3HD2 LEU 39 -2.404 -5.929 2.918 751 HD22 LEU 39 1HD2 LEU 39 -1.173 -5.656 1.685 752 HD23 LEU 39 2HD2 LEU 39 -2.838 -5.156 1.395 753 H ARG 40 H ARG 40 0.058 -3.128 6.681 754 HA ARG 40 HA ARG 40 2.840 -3.700 6.754 755 HB2 ARG 40 2HB ARG 40 1.648 -1.514 7.350 756 HB3 ARG 40 1HB ARG 40 1.282 -2.267 8.895 757 HG2 ARG 40 2HG ARG 40 3.211 -0.942 9.204 758 HG3 ARG 40 1HG ARG 40 3.737 -2.626 9.203 759 HD2 ARG 40 2HD ARG 40 4.187 -2.250 6.691 760 HD3 ARG 40 1HD ARG 40 4.096 -0.537 7.084 761 HE ARG 40 HE ARG 40 5.831 -1.382 8.892 762 HH11 ARG 40 1HH1 ARG 40 5.688 -2.029 5.461 763 HH12 ARG 40 2HH1 ARG 40 7.399 -2.233 5.307 764 HH21 ARG 40 1HH2 ARG 40 8.082 -1.648 8.680 765 HH22 ARG 40 2HH2 ARG 40 8.755 -2.017 7.128 766 H GLU 41 H GLU 41 0.095 -4.636 8.755 767 HA GLU 41 HA GLU 41 1.707 -5.962 10.725 768 HB2 GLU 41 2HB GLU 41 -1.263 -6.097 10.188 769 HB3 GLU 41 1HB GLU 41 -0.460 -6.764 11.602 770 HG2 GLU 41 2HG GLU 41 -0.110 -3.871 10.955 771 HG3 GLU 41 1HG GLU 41 -1.612 -4.418 11.700 772 H ALA 42 H ALA 42 0.926 -6.765 7.599 773 HA ALA 42 HA ALA 42 0.316 -9.522 7.839 774 HB1 ALA 42 1HB ALA 42 1.576 -8.076 5.511 775 HB2 ALA 42 2HB ALA 42 -0.156 -8.205 5.817 776 HB3 ALA 42 3HB ALA 42 0.786 -9.653 5.465 777 H ARG 43 H ARG 43 3.324 -7.721 7.648 778 HA ARG 43 HA ARG 43 4.887 -10.186 7.571 779 HB2 ARG 43 2HB ARG 43 6.836 -8.729 7.267 780 HB3 ARG 43 1HB ARG 43 5.593 -8.412 6.070 781 HG2 ARG 43 2HG ARG 43 6.222 -6.281 6.630 782 HG3 ARG 43 1HG ARG 43 4.859 -6.523 7.714 783 HD2 ARG 43 2HD ARG 43 7.548 -7.272 8.738 784 HD3 ARG 43 1HD ARG 43 7.212 -5.557 8.534 785 HE ARG 43 HE ARG 43 5.070 -6.738 9.907 786 HH11 ARG 43 1HH1 ARG 43 8.431 -5.924 10.379 787 HH12 ARG 43 2HH1 ARG 43 8.270 -5.718 12.091 788 HH21 ARG 43 1HH2 ARG 43 4.857 -6.465 12.158 789 HH22 ARG 43 2HH2 ARG 43 6.242 -6.026 13.101 790 H ALA 44 H ALA 44 3.315 -9.354 9.931 791 HA ALA 44 HA ALA 44 5.343 -8.702 11.917 792 HB1 ALA 44 1HB ALA 44 2.417 -9.270 12.359 793 HB2 ALA 44 2HB ALA 44 3.070 -7.677 11.973 794 HB3 ALA 44 3HB ALA 44 3.540 -8.484 13.469 795 H1 ALA 578 1HT ALA 578 3.719 -22.336 -2.622 796 H2 ALA 578 2HT ALA 578 2.602 -22.508 -1.330 797 H3 ALA 578 3HT ALA 578 2.059 -21.989 -2.873 798 HA ALA 578 HA ALA 578 3.221 -24.614 -2.228 799 HB1 ALA 578 2HB ALA 578 0.375 -23.855 -2.873 800 HB2 ALA 578 3HB ALA 578 0.985 -24.266 -1.270 801 HB3 ALA 578 1HB ALA 578 0.980 -25.479 -2.550 802 H MET 579 H MET 579 1.449 -22.665 -4.633 803 HA MET 579 HA MET 579 3.147 -23.597 -6.752 804 HB2 MET 579 2HB MET 579 1.117 -25.311 -6.211 805 HB3 MET 579 1HB MET 579 0.305 -24.236 -7.340 806 HG2 MET 579 2HG MET 579 1.151 -25.947 -8.669 807 HG3 MET 579 1HG MET 579 2.297 -24.626 -8.882 808 HE1 MET 579 3HE MET 579 1.522 -28.072 -7.609 809 HE2 MET 579 1HE MET 579 1.926 -27.495 -5.994 810 HE3 MET 579 2HE MET 579 2.987 -28.642 -6.810 811 H ALA 580 H ALA 580 2.836 -22.450 -8.717 812 HA ALA 580 HA ALA 580 1.630 -19.837 -8.319 813 HB1 ALA 580 1HB ALA 580 3.139 -20.836 -10.728 814 HB2 ALA 580 2HB ALA 580 3.908 -20.136 -9.303 815 HB3 ALA 580 3HB ALA 580 2.811 -19.162 -10.282 816 H ASP 581 H ASP 581 -0.510 -21.181 -8.282 817 HA ASP 581 HA ASP 581 -1.867 -20.593 -10.744 818 HB2 ASP 581 2HB ASP 581 -2.755 -22.902 -11.067 819 HB3 ASP 581 1HB ASP 581 -1.026 -22.768 -11.373 820 H ILE 582 H ILE 582 -3.850 -19.898 -10.256 821 HA ILE 582 HA ILE 582 -5.266 -20.996 -7.935 822 HB ILE 582 HB ILE 582 -5.032 -18.015 -8.360 823 HG12 ILE 582 2HG1 ILE 582 -3.583 -19.771 -6.364 824 HG13 ILE 582 1HG1 ILE 582 -2.844 -18.912 -7.711 825 HG21 ILE 582 1HG2 ILE 582 -7.077 -18.766 -7.256 826 HG22 ILE 582 2HG2 ILE 582 -6.040 -17.886 -6.136 827 HG23 ILE 582 3HG2 ILE 582 -6.119 -19.646 -6.066 828 HD11 ILE 582 3HD1 ILE 582 -2.441 -17.733 -5.654 829 HD12 ILE 582 1HD1 ILE 582 -4.170 -17.670 -5.315 830 HD13 ILE 582 2HD1 ILE 582 -3.508 -16.782 -6.686 831 H GLY 583 H GLY 583 -5.385 -18.793 -10.720 832 HA2 GLY 583 2HA GLY 583 -7.024 -19.204 -12.464 833 HA3 GLY 583 1HA GLY 583 -8.160 -19.696 -11.218 834 H SER 584 H SER 584 -6.126 -16.922 -10.736 835 HA SER 584 HA SER 584 -7.839 -14.952 -11.810 836 HB2 SER 584 2HB SER 584 -8.703 -14.038 -9.639 837 HB3 SER 584 1HB SER 584 -9.401 -15.596 -10.083 838 HG SER 584 HG SER 584 -7.364 -15.087 -8.180 839 H ALA 585 H ALA 585 -5.637 -15.674 -9.126 840 HA ALA 585 HA ALA 585 -3.693 -14.716 -8.450 841 HB1 ALA 585 1HB ALA 585 -2.307 -13.641 -9.999 842 HB2 ALA 585 2HB ALA 585 -3.670 -13.032 -10.937 843 HB3 ALA 585 3HB ALA 585 -3.276 -14.750 -10.968 844 H SER 586 H SER 586 -5.377 -12.079 -10.183 845 HA SER 586 HA SER 586 -6.218 -10.742 -7.854 846 HB2 SER 586 2HB SER 586 -4.650 -8.765 -8.030 847 HB3 SER 586 1HB SER 586 -3.915 -10.242 -7.410 848 HG SER 586 HG SER 586 -3.820 -9.545 -10.149 849 H GLY 587 H GLY 587 -8.048 -9.932 -8.669 850 HA2 GLY 587 2HA GLY 587 -8.165 -7.809 -10.448 851 HA3 GLY 587 1HA GLY 587 -8.386 -9.262 -11.410 852 H TYR 588 H TYR 588 -9.540 -8.165 -8.205 853 HA TYR 588 HA TYR 588 -12.195 -9.181 -8.889 854 HB2 TYR 588 2HB TYR 588 -12.625 -8.506 -6.415 855 HB3 TYR 588 1HB TYR 588 -11.616 -9.907 -6.751 856 HD1 TYR 588 1HD TYR 588 -11.217 -6.209 -6.307 857 HD2 TYR 588 2HD TYR 588 -9.661 -10.093 -5.524 858 HE1 TYR 588 1HE TYR 588 -9.410 -5.211 -4.973 859 HE2 TYR 588 2HE TYR 588 -7.851 -9.103 -4.188 860 HH TYR 588 HH TYR 588 -7.348 -7.082 -2.977 861 H VAL 589 H VAL 589 -10.968 -6.666 -9.965 862 HA VAL 589 HA VAL 589 -12.798 -4.622 -8.951 863 HB VAL 589 HB VAL 589 -11.531 -3.031 -10.276 864 HG11 VAL 589 1HG1 VAL 589 -9.519 -3.050 -9.034 865 HG12 VAL 589 2HG1 VAL 589 -9.555 -4.804 -8.860 866 HG13 VAL 589 3HG1 VAL 589 -10.735 -3.808 -8.007 867 HG21 VAL 589 3HG2 VAL 589 -10.854 -4.015 -12.242 868 HG22 VAL 589 1HG2 VAL 589 -10.324 -5.498 -11.454 869 HG23 VAL 589 2HG2 VAL 589 -9.341 -4.043 -11.342 870 HA PRO 590 HA PRO 590 -15.462 -5.639 -12.455 871 HB2 PRO 590 2HB PRO 590 -17.377 -3.752 -12.043 872 HB3 PRO 590 1HB PRO 590 -17.255 -5.226 -11.078 873 HG2 PRO 590 2HG PRO 590 -16.266 -2.472 -10.447 874 HG3 PRO 590 1HG PRO 590 -17.150 -3.605 -9.408 875 HD2 PRO 590 2HD PRO 590 -14.477 -3.296 -9.238 876 HD3 PRO 590 1HD PRO 590 -15.260 -4.861 -8.955 877 H GLU 591 H GLU 591 -13.267 -4.478 -13.360 878 HA GLU 591 HA GLU 591 -12.362 -3.160 -14.961 879 HB2 GLU 591 2HB GLU 591 -15.244 -3.265 -15.812 880 HB3 GLU 591 1HB GLU 591 -14.023 -2.445 -16.778 881 HG2 GLU 591 2HG GLU 591 -12.763 -4.524 -16.961 882 HG3 GLU 591 1HG GLU 591 -13.978 -5.347 -15.983 883 H GLU 592 H GLU 592 -15.444 -1.383 -14.883 884 HA GLU 592 HA GLU 592 -14.432 1.122 -15.183 885 HB2 GLU 592 2HB GLU 592 -16.890 0.207 -13.705 886 HB3 GLU 592 1HB GLU 592 -16.545 1.903 -14.012 887 HG2 GLU 592 2HG GLU 592 -16.498 0.033 -16.323 888 HG3 GLU 592 1HG GLU 592 -18.063 0.464 -15.632 889 H ILE 593 H ILE 593 -14.414 -0.753 -12.264 890 HA ILE 593 HA ILE 593 -13.974 1.432 -10.472 891 HB ILE 593 HB ILE 593 -13.805 -1.541 -10.266 892 HG12 ILE 593 2HG1 ILE 593 -15.940 -0.261 -9.956 893 HG13 ILE 593 1HG1 ILE 593 -15.496 -1.271 -8.588 894 HG21 ILE 593 1HG2 ILE 593 -12.552 0.381 -8.334 895 HG22 ILE 593 2HG2 ILE 593 -11.864 -1.079 -9.044 896 HG23 ILE 593 3HG2 ILE 593 -13.128 -1.205 -7.823 897 HD11 ILE 593 3HD1 ILE 593 -15.512 1.701 -8.825 898 HD12 ILE 593 1HD1 ILE 593 -14.450 0.922 -7.654 899 HD13 ILE 593 2HD1 ILE 593 -16.190 0.669 -7.570 900 H TRP 594 H TRP 594 -11.950 -0.544 -12.497 901 HA TRP 594 HA TRP 594 -9.505 0.200 -11.173 902 HB2 TRP 594 2HB TRP 594 -9.669 -1.972 -12.290 903 HB3 TRP 594 1HB TRP 594 -9.959 -1.170 -13.830 904 HD1 TRP 594 HD TRP 594 -7.869 0.051 -14.992 905 HE1 TRP 594 1HE TRP 594 -5.331 -0.263 -14.699 906 HE3 TRP 594 3HE TRP 594 -7.873 -2.529 -10.581 907 HZ2 TRP 594 2HZ TRP 594 -3.569 -1.461 -12.843 908 HZ3 TRP 594 3HZ TRP 594 -5.722 -3.226 -9.618 909 HH2 TRP 594 HH TRP 594 -3.614 -2.703 -10.727 910 H LYS 595 H LYS 595 -11.148 1.041 -14.190 911 HA LYS 595 HA LYS 595 -9.208 2.774 -15.206 912 HB2 LYS 595 2HB LYS 595 -12.155 3.304 -15.527 913 HB3 LYS 595 1HB LYS 595 -10.855 3.587 -16.677 914 HG2 LYS 595 2HG LYS 595 -10.602 1.009 -16.662 915 HG3 LYS 595 1HG LYS 595 -12.221 1.022 -15.962 916 HD2 LYS 595 2HD LYS 595 -11.361 2.110 -18.636 917 HD3 LYS 595 1HD LYS 595 -12.463 0.770 -18.319 918 HE2 LYS 595 2HE LYS 595 -13.965 2.435 -17.164 919 HE3 LYS 595 1HE LYS 595 -12.922 3.701 -17.809 920 HZ1 LYS 595 3HZ LYS 595 -13.749 3.452 -19.864 921 HZ2 LYS 595 1HZ LYS 595 -15.068 2.744 -19.075 922 HZ3 LYS 595 2HZ LYS 595 -13.863 1.769 -19.750 923 H LYS 596 H LYS 596 -11.952 3.397 -13.003 924 HA LYS 596 HA LYS 596 -11.437 6.169 -12.797 925 HB2 LYS 596 2HB LYS 596 -13.130 4.199 -11.305 926 HB3 LYS 596 1HB LYS 596 -12.915 5.816 -10.653 927 HG2 LYS 596 2HG LYS 596 -13.729 5.553 -13.505 928 HG3 LYS 596 1HG LYS 596 -14.928 5.220 -12.255 929 HD2 LYS 596 2HD LYS 596 -14.731 7.408 -11.354 930 HD3 LYS 596 1HD LYS 596 -13.282 7.743 -12.302 931 HE2 LYS 596 2HE LYS 596 -14.954 8.896 -13.435 932 HE3 LYS 596 1HE LYS 596 -14.803 7.400 -14.353 933 HZ1 LYS 596 3HZ LYS 596 -17.128 8.268 -13.675 934 HZ2 LYS 596 1HZ LYS 596 -16.769 7.576 -12.173 935 HZ3 LYS 596 2HZ LYS 596 -16.796 6.613 -13.564 936 H ALA 597 H ALA 597 -10.826 3.520 -10.420 937 HA ALA 597 HA ALA 597 -9.621 4.957 -8.440 938 HB1 ALA 597 1HB ALA 597 -10.140 2.533 -8.382 939 HB2 ALA 597 2HB ALA 597 -8.537 2.926 -7.761 940 HB3 ALA 597 3HB ALA 597 -8.714 2.243 -9.376 941 H GLU 598 H GLU 598 -8.217 3.821 -11.445 942 HA GLU 598 HA GLU 598 -5.521 4.455 -10.898 943 HB2 GLU 598 2HB GLU 598 -7.098 3.966 -13.396 944 HB3 GLU 598 1HB GLU 598 -5.476 4.627 -13.541 945 HG2 GLU 598 2HG GLU 598 -6.007 2.149 -11.940 946 HG3 GLU 598 1HG GLU 598 -5.786 2.086 -13.688 947 H GLU 599 H GLU 599 -8.217 6.366 -11.985 948 HA GLU 599 HA GLU 599 -6.759 8.623 -12.896 949 HB2 GLU 599 2HB GLU 599 -9.214 8.091 -13.323 950 HB3 GLU 599 1HB GLU 599 -9.533 8.699 -11.706 951 HG2 GLU 599 2HG GLU 599 -8.795 10.878 -12.288 952 HG3 GLU 599 1HG GLU 599 -8.152 10.315 -13.830 953 H ALA 600 H ALA 600 -8.229 7.819 -9.758 954 HA ALA 600 HA ALA 600 -7.692 10.187 -8.412 955 HB1 ALA 600 1HB ALA 600 -8.049 7.354 -7.550 956 HB2 ALA 600 2HB ALA 600 -9.076 8.756 -7.254 957 HB3 ALA 600 3HB ALA 600 -7.564 8.567 -6.365 958 H VAL 601 H VAL 601 -5.544 7.546 -9.214 959 HA VAL 601 HA VAL 601 -3.448 8.466 -7.453 960 HB VAL 601 HB VAL 601 -3.264 6.380 -9.628 961 HG11 VAL 601 1HG1 VAL 601 -1.073 6.710 -9.119 962 HG12 VAL 601 2HG1 VAL 601 -1.474 5.623 -7.793 963 HG13 VAL 601 3HG1 VAL 601 -1.418 7.362 -7.518 964 HG21 VAL 601 3HG2 VAL 601 -3.524 4.815 -7.651 965 HG22 VAL 601 1HG2 VAL 601 -4.974 5.676 -8.166 966 HG23 VAL 601 2HG2 VAL 601 -4.088 6.220 -6.744 967 H ASN 602 H ASN 602 -4.002 8.426 -10.955 968 HA ASN 602 HA ASN 602 -1.522 9.627 -11.637 969 HB2 ASN 602 2HB ASN 602 -4.155 9.446 -13.112 970 HB3 ASN 602 1HB ASN 602 -2.711 10.170 -13.813 971 HD21 ASN 602 1HD2 ASN 602 -1.241 8.883 -14.738 972 HD22 ASN 602 2HD2 ASN 602 -1.280 7.156 -14.713 973 H GLU 603 H GLU 603 -4.719 10.891 -10.887 974 HA GLU 603 HA GLU 603 -4.164 13.590 -11.558 975 HB2 GLU 603 2HB GLU 603 -6.242 12.279 -9.816 976 HB3 GLU 603 1HB GLU 603 -6.151 14.029 -9.978 977 HG2 GLU 603 2HG GLU 603 -6.351 13.703 -12.460 978 HG3 GLU 603 1HG GLU 603 -6.706 12.008 -12.132 979 H VAL 604 H VAL 604 -4.350 12.017 -8.315 980 HA VAL 604 HA VAL 604 -3.429 14.248 -6.932 981 HB VAL 604 HB VAL 604 -4.524 12.294 -5.855 982 HG11 VAL 604 1HG1 VAL 604 -3.395 10.315 -5.362 983 HG12 VAL 604 2HG1 VAL 604 -1.821 10.999 -5.773 984 HG13 VAL 604 3HG1 VAL 604 -2.982 10.629 -7.047 985 HG21 VAL 604 3HG2 VAL 604 -3.431 12.600 -3.788 986 HG22 VAL 604 1HG2 VAL 604 -3.214 14.105 -4.668 987 HG23 VAL 604 2HG2 VAL 604 -1.889 12.947 -4.560 988 H LYS 605 H LYS 605 -1.701 11.871 -8.737 989 HA LYS 605 HA LYS 605 0.878 12.385 -7.573 990 HB2 LYS 605 2HB LYS 605 -0.142 10.818 -9.886 991 HB3 LYS 605 1HB LYS 605 1.540 11.306 -9.939 992 HG2 LYS 605 2HG LYS 605 2.122 10.021 -8.101 993 HG3 LYS 605 1HG LYS 605 0.469 9.961 -7.495 994 HD2 LYS 605 2HD LYS 605 0.705 7.826 -8.308 995 HD3 LYS 605 1HD LYS 605 0.020 8.628 -9.718 996 HE2 LYS 605 2HE LYS 605 2.838 7.739 -9.223 997 HE3 LYS 605 1HE LYS 605 1.780 7.368 -10.579 998 HZ1 LYS 605 3HZ LYS 605 3.451 8.909 -11.274 999 HZ2 LYS 605 1HZ LYS 605 3.072 9.976 -10.019 1000 HZ3 LYS 605 2HZ LYS 605 1.960 9.706 -11.264 1001 H ARG 606 H ARG 606 -0.704 13.359 -10.600 1002 HA ARG 606 HA ARG 606 1.410 14.870 -11.632 1003 HB2 ARG 606 2HB ARG 606 -0.893 14.101 -12.663 1004 HB3 ARG 606 1HB ARG 606 -1.433 15.684 -12.130 1005 HG2 ARG 606 2HG ARG 606 1.065 15.498 -13.754 1006 HG3 ARG 606 1HG ARG 606 -0.491 15.293 -14.555 1007 HD2 ARG 606 2HD ARG 606 -1.216 17.452 -13.894 1008 HD3 ARG 606 1HD ARG 606 0.139 17.646 -12.786 1009 HE ARG 606 HE ARG 606 0.122 18.184 -15.585 1010 HH11 ARG 606 1HH1 ARG 606 2.173 17.139 -12.954 1011 HH12 ARG 606 2HH1 ARG 606 3.629 17.685 -13.712 1012 HH21 ARG 606 1HH2 ARG 606 2.042 18.901 -16.575 1013 HH22 ARG 606 2HH2 ARG 606 3.557 18.684 -15.763 1014 H GLN 607 H GLN 607 -1.146 15.759 -9.345 1015 HA GLN 607 HA GLN 607 -0.429 18.545 -9.401 1016 HB2 GLN 607 2HB GLN 607 -2.066 18.861 -7.666 1017 HB3 GLN 607 1HB GLN 607 -2.730 17.831 -8.928 1018 HG2 GLN 607 2HG GLN 607 -2.069 15.880 -7.458 1019 HG3 GLN 607 1HG GLN 607 -1.806 17.065 -6.186 1020 HE21 GLN 607 1HE2 GLN 607 -4.269 16.340 -8.640 1021 HE22 GLN 607 2HE2 GLN 607 -5.622 16.508 -7.579 1022 H ALA 608 H ALA 608 0.056 15.924 -6.976 1023 HA ALA 608 HA ALA 608 1.212 17.300 -4.927 1024 HB1 ALA 608 1HB ALA 608 0.848 14.992 -4.658 1025 HB2 ALA 608 2HB ALA 608 2.599 15.193 -4.592 1026 HB3 ALA 608 3HB ALA 608 1.835 14.595 -6.063 1027 H MET 609 H MET 609 2.669 16.370 -7.961 1028 HA MET 609 HA MET 609 5.312 17.172 -7.210 1029 HB2 MET 609 2HB MET 609 5.883 16.969 -9.612 1030 HB3 MET 609 1HB MET 609 5.129 15.534 -8.936 1031 HG2 MET 609 2HG MET 609 3.079 15.979 -10.021 1032 HG3 MET 609 1HG MET 609 3.586 17.609 -10.463 1033 HE1 MET 609 3HE MET 609 3.935 13.930 -10.818 1034 HE2 MET 609 1HE MET 609 5.673 14.021 -11.106 1035 HE3 MET 609 2HE MET 609 4.577 13.646 -12.436 1036 H THR 610 H THR 610 2.610 18.870 -8.717 1037 HA THR 610 HA THR 610 4.147 21.120 -9.561 1038 HB THR 610 HB THR 610 1.735 22.263 -9.129 1039 HG1 THR 610 1HG THR 610 0.927 20.338 -8.150 1040 HG21 THR 610 3HG2 THR 610 1.036 21.600 -11.363 1041 HG22 THR 610 1HG2 THR 610 2.290 20.361 -11.393 1042 HG23 THR 610 2HG2 THR 610 2.737 22.066 -11.328 1043 H GLU 611 H GLU 611 2.657 20.125 -6.560 1044 HA GLU 611 HA GLU 611 3.009 22.592 -5.178 1045 HB2 GLU 611 2HB GLU 611 1.875 21.524 -3.558 1046 HB3 GLU 611 1HB GLU 611 1.850 20.101 -4.585 1047 HG2 GLU 611 2HG GLU 611 2.629 19.404 -2.485 1048 HG3 GLU 611 1HG GLU 611 4.041 19.441 -3.534 1049 H LEU 612 H LEU 612 5.073 20.049 -6.105 1050 HA LEU 612 HA LEU 612 7.229 20.747 -4.272 1051 HB2 LEU 612 2HB LEU 612 6.940 18.687 -6.446 1052 HB3 LEU 612 1HB LEU 612 8.461 18.959 -5.622 1053 HG LEU 612 HG LEU 612 6.062 18.428 -3.931 1054 HD11 LEU 612 1HD1 LEU 612 7.004 15.891 -4.291 1055 HD12 LEU 612 2HD1 LEU 612 7.058 16.532 -5.933 1056 HD13 LEU 612 3HD1 LEU 612 5.548 16.551 -5.028 1057 HD21 LEU 612 3HD2 LEU 612 7.792 17.168 -2.628 1058 HD22 LEU 612 1HD2 LEU 612 8.097 18.896 -2.800 1059 HD23 LEU 612 2HD2 LEU 612 8.987 17.741 -3.789 1060 H GLN 613 H GLN 613 6.517 20.871 -7.731 1061 HA GLN 613 HA GLN 613 8.960 21.945 -8.583 1062 HB2 GLN 613 2HB GLN 613 6.189 22.238 -9.758 1063 HB3 GLN 613 1HB GLN 613 7.666 22.711 -10.582 1064 HG2 GLN 613 2HG GLN 613 7.698 19.945 -9.615 1065 HG3 GLN 613 1HG GLN 613 6.427 20.275 -10.790 1066 HE21 GLN 613 1HE2 GLN 613 9.846 21.102 -10.310 1067 HE22 GLN 613 2HE2 GLN 613 10.328 20.781 -11.936 1068 H LYS 614 H LYS 614 6.344 23.370 -6.870 1069 HA LYS 614 HA LYS 614 7.738 25.867 -6.641 1070 HB2 LYS 614 2HB LYS 614 5.805 27.230 -7.519 1071 HB3 LYS 614 1HB LYS 614 6.737 26.375 -8.741 1072 HG2 LYS 614 2HG LYS 614 5.005 24.585 -8.715 1073 HG3 LYS 614 1HG LYS 614 4.047 25.597 -7.637 1074 HD2 LYS 614 2HD LYS 614 5.015 26.525 -10.336 1075 HD3 LYS 614 1HD LYS 614 3.464 25.721 -10.097 1076 HE2 LYS 614 2HE LYS 614 2.895 27.968 -10.018 1077 HE3 LYS 614 1HE LYS 614 3.052 27.552 -8.314 1078 HZ1 LYS 614 3HZ LYS 614 4.682 29.018 -8.076 1079 HZ2 LYS 614 1HZ LYS 614 4.341 29.583 -9.634 1080 HZ3 LYS 614 2HZ LYS 614 5.538 28.411 -9.402 1081 H ALA 615 H ALA 615 7.413 24.595 -4.513 1082 HA ALA 615 HA ALA 615 4.892 24.543 -3.267 1083 HB1 ALA 615 1HB ALA 615 7.522 24.792 -1.822 1084 HB2 ALA 615 2HB ALA 615 6.971 23.289 -2.561 1085 HB3 ALA 615 3HB ALA 615 6.037 24.026 -1.258 Start of MODEL 10 1 H1 GLY -7 1HT GLY -7 -17.677 -4.405 -13.795 2 H2 GLY -7 2HT GLY -7 -17.461 -2.732 -13.663 3 H3 GLY -7 3HT GLY -7 -18.815 -3.348 -14.465 4 HA2 GLY -7 1HA GLY -7 -18.254 -3.223 -11.582 5 HA3 GLY -7 2HA GLY -7 -19.715 -2.767 -12.445 6 H ALA -6 H ALA -6 -20.064 -5.091 -13.984 7 HA ALA -6 HA ALA -6 -21.099 -7.115 -13.882 8 HB1 ALA -6 1HB ALA -6 -19.340 -7.645 -11.495 9 HB2 ALA -6 2HB ALA -6 -18.795 -7.769 -13.168 10 HB3 ALA -6 3HB ALA -6 -20.073 -8.830 -12.575 11 H MET -5 H MET -5 -22.315 -4.919 -12.503 12 HA MET -5 HA MET -5 -24.149 -4.534 -11.220 13 HB2 MET -5 2HB MET -5 -24.729 -6.914 -12.078 14 HB3 MET -5 1HB MET -5 -24.270 -7.447 -10.467 15 HG2 MET -5 2HG MET -5 -26.610 -7.179 -10.456 16 HG3 MET -5 1HG MET -5 -25.941 -5.820 -9.554 17 HE1 MET -5 3HE MET -5 -25.955 -3.306 -10.411 18 HE2 MET -5 1HE MET -5 -27.446 -3.878 -9.662 19 HE3 MET -5 2HE MET -5 -27.515 -2.877 -11.113 20 H GLY -4 H GLY -4 -21.541 -4.287 -10.190 21 HA2 GLY -4 2HA GLY -4 -21.364 -5.401 -7.567 22 HA3 GLY -4 1HA GLY -4 -20.362 -4.119 -8.225 23 H SER -3 H SER -3 -23.759 -4.590 -7.238 24 HA SER -3 HA SER -3 -25.187 -3.284 -6.043 25 HB2 SER -3 2HB SER -3 -23.407 -3.699 -4.312 26 HB3 SER -3 1HB SER -3 -22.693 -2.149 -4.759 27 HG SER -3 HG SER -3 -24.048 -1.782 -3.043 28 H MET -2 H MET -2 -26.028 -2.003 -7.651 29 HA MET -2 HA MET -2 -26.551 -0.088 -8.754 30 HB2 MET -2 2HB MET -2 -26.399 0.807 -6.392 31 HB3 MET -2 1HB MET -2 -24.769 1.342 -6.781 32 HG2 MET -2 2HG MET -2 -25.585 2.826 -8.466 33 HG3 MET -2 1HG MET -2 -27.221 2.187 -8.303 34 HE1 MET -2 3HE MET -2 -24.893 5.064 -5.773 35 HE2 MET -2 1HE MET -2 -24.283 3.618 -6.579 36 HE3 MET -2 2HE MET -2 -24.893 3.516 -4.928 37 H SER -1 H SER -1 -25.842 0.641 -10.658 38 HA SER -1 HA SER -1 -23.006 0.424 -11.292 39 HB2 SER -1 2HB SER -1 -25.428 0.996 -13.018 40 HB3 SER -1 1HB SER -1 -23.778 0.881 -13.630 41 HG SER -1 HG SER -1 -24.974 -1.200 -12.136 42 H HIS 2 H HIS 2 -22.707 2.287 -9.712 43 HA HIS 2 HA HIS 2 -22.516 4.753 -11.258 44 HB2 HIS 2 2HB HIS 2 -24.666 4.744 -9.843 45 HB3 HIS 2 1HB HIS 2 -23.605 4.850 -8.443 46 HD1 HIS 2 1HD HIS 2 -25.435 6.924 -10.698 47 HD2 HIS 2 2HD HIS 2 -21.782 7.237 -8.741 48 HE1 HIS 2 1HE HIS 2 -24.858 9.371 -10.738 49 HE2 HIS 2 2HE HIS 2 -22.686 9.546 -9.474 50 H ILE 3 H ILE 3 -20.502 5.376 -11.141 51 HA ILE 3 HA ILE 3 -18.999 5.141 -8.629 52 HB ILE 3 HB ILE 3 -17.802 4.380 -11.295 53 HG12 ILE 3 2HG1 ILE 3 -18.672 2.495 -9.093 54 HG13 ILE 3 1HG1 ILE 3 -19.573 2.759 -10.582 55 HG21 ILE 3 1HG2 ILE 3 -16.249 5.226 -9.587 56 HG22 ILE 3 2HG2 ILE 3 -15.965 3.526 -9.960 57 HG23 ILE 3 3HG2 ILE 3 -16.809 3.974 -8.478 58 HD11 ILE 3 3HD1 ILE 3 -18.164 1.514 -11.816 59 HD12 ILE 3 1HD1 ILE 3 -17.833 0.768 -10.256 60 HD13 ILE 3 2HD1 ILE 3 -16.740 1.996 -10.896 61 H GLN 4 H GLN 4 -18.748 7.273 -8.203 62 HA GLN 4 HA GLN 4 -17.617 8.974 -10.337 63 HB2 GLN 4 2HB GLN 4 -18.697 10.896 -9.132 64 HB3 GLN 4 1HB GLN 4 -19.816 9.776 -9.894 65 HG2 GLN 4 2HG GLN 4 -20.215 8.715 -7.718 66 HG3 GLN 4 1HG GLN 4 -19.125 9.879 -6.967 67 HE21 GLN 4 1HE2 GLN 4 -19.707 12.219 -7.510 68 HE22 GLN 4 2HE2 GLN 4 -21.381 12.627 -7.383 69 H ILE 5 H ILE 5 -15.618 9.689 -9.954 70 HA ILE 5 HA ILE 5 -14.034 9.074 -7.813 71 HB ILE 5 HB ILE 5 -13.864 11.592 -9.476 72 HG12 ILE 5 2HG1 ILE 5 -13.786 9.627 -10.885 73 HG13 ILE 5 1HG1 ILE 5 -12.163 10.293 -10.759 74 HG21 ILE 5 1HG2 ILE 5 -11.902 10.303 -7.597 75 HG22 ILE 5 2HG2 ILE 5 -12.497 11.963 -7.595 76 HG23 ILE 5 3HG2 ILE 5 -11.403 11.423 -8.866 77 HD11 ILE 5 3HD1 ILE 5 -11.872 8.562 -8.856 78 HD12 ILE 5 1HD1 ILE 5 -11.799 8.034 -10.536 79 HD13 ILE 5 2HD1 ILE 5 -13.269 7.781 -9.596 80 HA PRO 6 HA PRO 6 -16.347 11.419 -4.647 81 HB2 PRO 6 2HB PRO 6 -14.081 10.342 -3.021 82 HB3 PRO 6 1HB PRO 6 -15.813 10.354 -2.670 83 HG2 PRO 6 2HG PRO 6 -14.611 8.119 -3.459 84 HG3 PRO 6 1HG PRO 6 -16.238 8.528 -4.037 85 HD2 PRO 6 2HD PRO 6 -13.616 8.720 -5.458 86 HD3 PRO 6 1HD PRO 6 -15.210 8.270 -6.086 87 HA PRO 7 HA PRO 7 -13.596 14.907 -4.271 88 HB2 PRO 7 2HB PRO 7 -14.976 16.324 -2.374 89 HB3 PRO 7 1HB PRO 7 -15.499 16.164 -4.051 90 HG2 PRO 7 2HG PRO 7 -16.708 15.047 -1.662 91 HG3 PRO 7 1HG PRO 7 -17.330 15.057 -3.319 92 HD2 PRO 7 2HD PRO 7 -15.951 12.912 -1.862 93 HD3 PRO 7 1HD PRO 7 -16.913 12.827 -3.348 94 H GLY 8 H GLY 8 -12.089 16.002 -2.894 95 HA2 GLY 8 2HA GLY 8 -10.796 16.317 -0.985 96 HA3 GLY 8 1HA GLY 8 -11.785 15.135 -0.143 97 H LEU 9 H LEU 9 -11.258 13.302 -2.577 98 HA LEU 9 HA LEU 9 -9.305 11.703 -1.436 99 HB2 LEU 9 2HB LEU 9 -10.675 11.849 -4.042 100 HB3 LEU 9 1HB LEU 9 -9.120 11.044 -4.093 101 HG LEU 9 HG LEU 9 -11.213 10.242 -2.087 102 HD11 LEU 9 1HD1 LEU 9 -12.027 8.568 -3.599 103 HD12 LEU 9 2HD1 LEU 9 -10.876 9.066 -4.840 104 HD13 LEU 9 3HD1 LEU 9 -12.187 10.147 -4.367 105 HD21 LEU 9 3HD2 LEU 9 -10.001 8.095 -2.209 106 HD22 LEU 9 1HD2 LEU 9 -8.974 9.425 -1.678 107 HD23 LEU 9 2HD2 LEU 9 -8.858 8.829 -3.333 108 H THR 10 H THR 10 -8.960 14.070 -4.074 109 HA THR 10 HA THR 10 -6.264 13.625 -4.598 110 HB THR 10 HB THR 10 -6.433 16.209 -5.256 111 HG1 THR 10 1HG THR 10 -9.150 15.499 -5.387 112 HG21 THR 10 3HG2 THR 10 -7.718 15.528 -7.335 113 HG22 THR 10 1HG2 THR 10 -7.751 13.905 -6.648 114 HG23 THR 10 2HG2 THR 10 -6.206 14.680 -7.006 115 H GLU 11 H GLU 11 -7.744 16.031 -2.442 116 HA GLU 11 HA GLU 11 -5.363 17.193 -1.536 117 HB2 GLU 11 2HB GLU 11 -7.694 18.085 -1.211 118 HB3 GLU 11 1HB GLU 11 -7.904 16.897 0.069 119 HG2 GLU 11 2HG GLU 11 -6.022 17.899 1.285 120 HG3 GLU 11 1HG GLU 11 -5.867 19.112 0.015 121 H LEU 12 H LEU 12 -7.118 14.347 -0.411 122 HA LEU 12 HA LEU 12 -5.524 13.982 1.929 123 HB2 LEU 12 2HB LEU 12 -7.925 13.015 1.082 124 HB3 LEU 12 1HB LEU 12 -6.895 11.631 0.789 125 HG LEU 12 HG LEU 12 -6.352 11.422 3.102 126 HD11 LEU 12 1HD1 LEU 12 -7.406 14.201 3.299 127 HD12 LEU 12 2HD1 LEU 12 -5.992 13.468 4.057 128 HD13 LEU 12 3HD1 LEU 12 -7.602 13.135 4.690 129 HD21 LEU 12 3HD2 LEU 12 -8.652 10.727 2.238 130 HD22 LEU 12 1HD2 LEU 12 -9.268 12.117 3.132 131 HD23 LEU 12 2HD2 LEU 12 -8.425 10.823 3.984 132 H LEU 13 H LEU 13 -5.552 12.502 -1.290 133 HA LEU 13 HA LEU 13 -3.422 10.700 -0.720 134 HB2 LEU 13 2HB LEU 13 -4.989 11.496 -3.115 135 HB3 LEU 13 1HB LEU 13 -3.423 10.762 -3.400 136 HG LEU 13 HG LEU 13 -4.107 8.763 -2.206 137 HD11 LEU 13 1HD1 LEU 13 -6.761 10.136 -1.819 138 HD12 LEU 13 2HD1 LEU 13 -5.573 9.827 -0.553 139 HD13 LEU 13 3HD1 LEU 13 -6.366 8.479 -1.367 140 HD21 LEU 13 3HD2 LEU 13 -5.954 9.748 -4.369 141 HD22 LEU 13 1HD2 LEU 13 -6.061 8.112 -3.715 142 HD23 LEU 13 2HD2 LEU 13 -4.581 8.649 -4.507 143 H GLN 14 H GLN 14 -3.621 13.888 -2.266 144 HA GLN 14 HA GLN 14 -0.978 14.003 -3.192 145 HB2 GLN 14 2HB GLN 14 -2.966 15.650 -3.602 146 HB3 GLN 14 1HB GLN 14 -2.355 16.473 -2.178 147 HG2 GLN 14 2HG GLN 14 -0.106 16.045 -3.781 148 HG3 GLN 14 1HG GLN 14 -1.381 16.512 -4.902 149 HE21 GLN 14 1HE2 GLN 14 -2.820 18.263 -3.332 150 HE22 GLN 14 2HE2 GLN 14 -1.851 19.651 -2.990 151 H GLY 15 H GLY 15 -2.370 14.767 -0.048 152 HA2 GLY 15 2HA GLY 15 -0.148 15.991 1.138 153 HA3 GLY 15 1HA GLY 15 -1.373 15.068 2.002 154 H TYR 16 H TYR 16 -1.054 12.572 0.925 155 HA TYR 16 HA TYR 16 1.233 11.626 2.339 156 HB2 TYR 16 2HB TYR 16 -0.713 10.238 2.273 157 HB3 TYR 16 1HB TYR 16 -0.771 10.287 0.517 158 HD1 TYR 16 2HD TYR 16 2.275 9.632 2.564 159 HD2 TYR 16 1HD TYR 16 -0.750 7.975 0.074 160 HE1 TYR 16 2HE TYR 16 3.516 7.507 2.466 161 HE2 TYR 16 1HE TYR 16 0.488 5.856 -0.030 162 HH TYR 16 HH TYR 16 3.227 5.222 1.973 163 H THR 17 H THR 17 0.388 11.792 -1.110 164 HA THR 17 HA THR 17 2.666 10.650 -2.198 165 HB THR 17 HB THR 17 1.050 12.923 -3.361 166 HG1 THR 17 1HG THR 17 -0.313 11.397 -4.105 167 HG21 THR 17 3HG2 THR 17 2.257 10.771 -5.019 168 HG22 THR 17 1HG2 THR 17 3.273 12.117 -4.507 169 HG23 THR 17 2HG2 THR 17 1.821 12.423 -5.456 170 H VAL 18 H VAL 18 2.069 14.163 -1.915 171 HA VAL 18 HA VAL 18 4.567 15.014 -2.745 172 HB VAL 18 HB VAL 18 2.516 16.446 -2.309 173 HG11 VAL 18 1HG1 VAL 18 3.635 16.722 0.469 174 HG12 VAL 18 2HG1 VAL 18 2.284 15.657 0.082 175 HG13 VAL 18 3HG1 VAL 18 2.140 17.393 -0.181 176 HG21 VAL 18 3HG2 VAL 18 5.248 17.350 -1.427 177 HG22 VAL 18 1HG2 VAL 18 3.902 18.448 -1.721 178 HG23 VAL 18 2HG2 VAL 18 4.543 17.466 -3.040 179 H GLU 19 H GLU 19 3.662 13.652 0.315 180 HA GLU 19 HA GLU 19 5.936 14.610 1.758 181 HB2 GLU 19 2HB GLU 19 3.602 13.581 2.562 182 HB3 GLU 19 1HB GLU 19 4.555 12.107 2.606 183 HG2 GLU 19 2HG GLU 19 4.885 12.834 4.734 184 HG3 GLU 19 1HG GLU 19 6.236 13.646 3.942 185 H VAL 20 H VAL 20 5.331 11.979 -0.390 186 HA VAL 20 HA VAL 20 7.543 10.370 0.455 187 HB VAL 20 HB VAL 20 5.309 9.762 -0.921 188 HG11 VAL 20 1HG1 VAL 20 6.145 10.946 -2.954 189 HG12 VAL 20 2HG1 VAL 20 5.752 9.249 -3.208 190 HG13 VAL 20 3HG1 VAL 20 7.433 9.750 -3.054 191 HG21 VAL 20 3HG2 VAL 20 6.744 8.175 0.219 192 HG22 VAL 20 1HG2 VAL 20 7.929 8.282 -1.083 193 HG23 VAL 20 2HG2 VAL 20 6.336 7.590 -1.394 194 H LEU 21 H LEU 21 7.027 12.710 -2.145 195 HA LEU 21 HA LEU 21 9.507 12.185 -3.451 196 HB2 LEU 21 2HB LEU 21 7.298 14.102 -3.733 197 HB3 LEU 21 1HB LEU 21 8.862 14.753 -4.186 198 HG LEU 21 HG LEU 21 9.144 12.771 -5.714 199 HD11 LEU 21 1HD1 LEU 21 7.042 11.624 -6.385 200 HD12 LEU 21 2HD1 LEU 21 6.253 12.355 -4.986 201 HD13 LEU 21 3HD1 LEU 21 7.590 11.230 -4.758 202 HD21 LEU 21 3HD2 LEU 21 7.731 13.695 -7.460 203 HD22 LEU 21 1HD2 LEU 21 8.481 14.981 -6.517 204 HD23 LEU 21 2HD2 LEU 21 6.791 14.573 -6.252 205 H ARG 22 H ARG 22 8.506 14.431 -0.927 206 HA ARG 22 HA ARG 22 10.950 15.919 -0.978 207 HB2 ARG 22 2HB ARG 22 10.143 17.012 1.009 208 HB3 ARG 22 1HB ARG 22 8.863 16.902 -0.190 209 HG2 ARG 22 2HG ARG 22 7.867 15.054 1.003 210 HG3 ARG 22 1HG ARG 22 9.180 15.078 2.181 211 HD2 ARG 22 2HD ARG 22 7.435 16.257 3.210 212 HD3 ARG 22 1HD ARG 22 8.540 17.493 2.612 213 HE ARG 22 HE ARG 22 6.543 16.973 0.688 214 HH11 ARG 22 1HH1 ARG 22 6.994 18.503 3.793 215 HH12 ARG 22 2HH1 ARG 22 5.723 19.654 3.552 216 HH21 ARG 22 1HH2 ARG 22 4.874 18.491 0.367 217 HH22 ARG 22 2HH2 ARG 22 4.519 19.647 1.606 218 H GLN 23 H GLN 23 9.878 13.057 0.766 219 HA GLN 23 HA GLN 23 12.378 13.102 2.346 220 HB2 GLN 23 2HB GLN 23 10.260 12.937 3.614 221 HB3 GLN 23 1HB GLN 23 9.885 11.447 2.763 222 HG2 GLN 23 2HG GLN 23 10.743 10.912 4.926 223 HG3 GLN 23 1HG GLN 23 11.932 10.439 3.714 224 HE21 GLN 23 1HE2 GLN 23 13.899 10.766 4.482 225 HE22 GLN 23 2HE2 GLN 23 14.428 12.149 5.372 226 H GLN 24 H GLN 24 10.289 10.848 0.570 227 HA GLN 24 HA GLN 24 10.708 8.980 -0.621 228 HB2 GLN 24 2HB GLN 24 13.450 10.184 -0.989 229 HB3 GLN 24 1HB GLN 24 12.715 8.943 -1.994 230 HG2 GLN 24 2HG GLN 24 11.063 10.475 -2.792 231 HG3 GLN 24 1HG GLN 24 11.593 11.712 -1.651 232 HE21 GLN 24 1HE2 GLN 24 11.539 12.692 -3.983 233 HE22 GLN 24 2HE2 GLN 24 13.071 12.735 -4.775 234 HA PRO 25 HA PRO 25 13.264 7.007 2.823 235 HB2 PRO 25 2HB PRO 25 11.283 5.788 4.191 236 HB3 PRO 25 1HB PRO 25 11.726 7.472 4.500 237 HG2 PRO 25 2HG PRO 25 9.494 6.368 2.849 238 HG3 PRO 25 1HG PRO 25 9.460 7.692 4.031 239 HD2 PRO 25 2HD PRO 25 9.609 8.115 1.340 240 HD3 PRO 25 1HD PRO 25 10.328 9.216 2.531 241 HA PRO 26 HA PRO 26 13.295 3.144 0.741 242 HB2 PRO 26 2HB PRO 26 13.857 1.312 2.658 243 HB3 PRO 26 1HB PRO 26 15.025 2.517 2.104 244 HG2 PRO 26 2HG PRO 26 13.255 2.576 4.525 245 HG3 PRO 26 1HG PRO 26 14.984 2.958 4.396 246 HD2 PRO 26 2HD PRO 26 13.101 4.881 4.445 247 HD3 PRO 26 1HD PRO 26 14.584 5.049 3.489 248 H ASP 27 H ASP 27 10.684 3.545 3.010 249 HA ASP 27 HA ASP 27 9.413 1.185 1.794 250 HB2 ASP 27 2HB ASP 27 9.572 1.889 4.710 251 HB3 ASP 27 1HB ASP 27 8.255 0.900 4.084 252 H LEU 28 H LEU 28 7.683 1.728 0.721 253 HA LEU 28 HA LEU 28 6.365 4.257 1.197 254 HB2 LEU 28 2HB LEU 28 5.620 2.045 -0.721 255 HB3 LEU 28 1HB LEU 28 5.013 3.689 -0.744 256 HG LEU 28 HG LEU 28 7.944 3.113 -1.095 257 HD11 LEU 28 1HD1 LEU 28 7.494 3.299 -3.561 258 HD12 LEU 28 2HD1 LEU 28 5.785 3.065 -3.192 259 HD13 LEU 28 3HD1 LEU 28 6.952 1.800 -2.805 260 HD21 LEU 28 3HD2 LEU 28 7.985 5.267 -2.144 261 HD22 LEU 28 1HD2 LEU 28 7.161 5.425 -0.594 262 HD23 LEU 28 2HD2 LEU 28 6.227 5.382 -2.088 263 H VAL 29 H VAL 29 5.725 0.814 1.584 264 HA VAL 29 HA VAL 29 3.033 1.048 2.406 265 HB VAL 29 HB VAL 29 4.157 -1.100 1.724 266 HG11 VAL 29 1HG1 VAL 29 5.489 -2.333 3.258 267 HG12 VAL 29 2HG1 VAL 29 5.214 -1.157 4.543 268 HG13 VAL 29 3HG1 VAL 29 6.191 -0.720 3.142 269 HG21 VAL 29 3HG2 VAL 29 2.028 -1.379 2.625 270 HG22 VAL 29 1HG2 VAL 29 2.533 -0.882 4.239 271 HG23 VAL 29 2HG2 VAL 29 3.020 -2.455 3.607 272 H GLU 30 H GLU 30 6.118 1.224 4.081 273 HA GLU 30 HA GLU 30 5.015 1.357 6.715 274 HB2 GLU 30 2HB GLU 30 7.389 0.714 6.197 275 HB3 GLU 30 1HB GLU 30 7.692 2.394 5.775 276 HG2 GLU 30 2HG GLU 30 6.996 3.022 8.086 277 HG3 GLU 30 1HG GLU 30 6.931 1.303 8.471 278 H PHE 31 H PHE 31 6.274 3.751 4.386 279 HA PHE 31 HA PHE 31 5.953 6.094 5.787 280 HB2 PHE 31 2HB PHE 31 6.698 5.666 3.338 281 HB3 PHE 31 1HB PHE 31 5.003 5.880 2.938 282 HD1 PHE 31 1HD PHE 31 4.211 8.092 4.712 283 HD2 PHE 31 2HD PHE 31 7.762 7.504 2.480 284 HE1 PHE 31 1HE PHE 31 4.591 10.520 4.681 285 HE2 PHE 31 2HE PHE 31 8.161 9.923 2.450 286 HZ PHE 31 HZ PHE 31 6.571 11.434 3.548 287 H ALA 32 H ALA 32 3.466 4.549 3.774 288 HA ALA 32 HA ALA 32 1.382 6.255 4.098 289 HB1 ALA 32 1HB ALA 32 0.971 3.292 4.176 290 HB2 ALA 32 2HB ALA 32 1.541 4.129 2.735 291 HB3 ALA 32 3HB ALA 32 -0.031 4.531 3.421 292 H VAL 33 H VAL 33 2.192 3.611 6.381 293 HA VAL 33 HA VAL 33 -0.025 4.133 8.086 294 HB VAL 33 HB VAL 33 2.593 2.752 8.708 295 HG11 VAL 33 1HG1 VAL 33 1.207 1.656 10.520 296 HG12 VAL 33 2HG1 VAL 33 0.006 2.916 10.236 297 HG13 VAL 33 3HG1 VAL 33 1.629 3.349 10.780 298 HG21 VAL 33 3HG2 VAL 33 -0.075 1.681 7.802 299 HG22 VAL 33 1HG2 VAL 33 1.253 0.682 8.393 300 HG23 VAL 33 2HG2 VAL 33 1.451 1.630 6.919 301 H GLU 34 H GLU 34 3.479 4.814 8.620 302 HA GLU 34 HA GLU 34 3.159 6.315 10.914 303 HB2 GLU 34 2HB GLU 34 5.296 7.433 10.343 304 HB3 GLU 34 1HB GLU 34 5.363 5.685 10.166 305 HG2 GLU 34 2HG GLU 34 5.030 5.957 7.744 306 HG3 GLU 34 1HG GLU 34 5.085 7.705 7.955 307 H TYR 35 H TYR 35 2.599 7.272 7.596 308 HA TYR 35 HA TYR 35 2.346 10.076 8.194 309 HB2 TYR 35 2HB TYR 35 3.078 9.492 6.000 310 HB3 TYR 35 1HB TYR 35 1.682 8.456 5.737 311 HD1 TYR 35 1HD TYR 35 -0.556 9.468 5.386 312 HD2 TYR 35 2HD TYR 35 2.953 11.860 5.640 313 HE1 TYR 35 1HE TYR 35 -1.776 11.352 4.384 314 HE2 TYR 35 2HE TYR 35 1.742 13.752 4.634 315 HH TYR 35 HH TYR 35 -0.505 14.537 4.323 316 H PHE 36 H PHE 36 -0.025 7.614 7.104 317 HA PHE 36 HA PHE 36 -2.254 9.291 7.505 318 HB2 PHE 36 2HB PHE 36 -1.879 6.374 7.024 319 HB3 PHE 36 1HB PHE 36 -3.439 6.898 7.643 320 HD1 PHE 36 1HD PHE 36 -4.709 8.659 6.377 321 HD2 PHE 36 2HD PHE 36 -1.352 6.631 4.733 322 HE1 PHE 36 1HE PHE 36 -5.420 9.326 4.119 323 HE2 PHE 36 2HE PHE 36 -2.056 7.292 2.470 324 HZ PHE 36 HZ PHE 36 -4.092 8.645 2.161 325 H THR 37 H THR 37 -0.484 7.267 9.739 326 HA THR 37 HA THR 37 -2.528 7.176 11.732 327 HB THR 37 HB THR 37 -0.658 6.515 13.269 328 HG1 THR 37 1HG THR 37 0.942 6.623 10.940 329 HG21 THR 37 3HG2 THR 37 0.023 4.445 11.985 330 HG22 THR 37 1HG2 THR 37 -1.009 5.043 10.687 331 HG23 THR 37 2HG2 THR 37 -1.699 4.687 12.270 332 H ARG 38 H ARG 38 0.490 9.061 11.497 333 HA ARG 38 HA ARG 38 0.138 10.636 13.750 334 HB2 ARG 38 2HB ARG 38 1.539 11.175 11.139 335 HB3 ARG 38 1HB ARG 38 1.562 12.334 12.460 336 HG2 ARG 38 2HG ARG 38 2.617 10.689 13.908 337 HG3 ARG 38 1HG ARG 38 2.568 9.499 12.606 338 HD2 ARG 38 2HD ARG 38 3.997 12.146 12.424 339 HD3 ARG 38 1HD ARG 38 4.775 10.636 12.896 340 HE ARG 38 HE ARG 38 3.428 10.342 10.420 341 HH11 ARG 38 1HH1 ARG 38 6.298 11.729 11.842 342 HH12 ARG 38 2HH1 ARG 38 7.224 11.623 10.383 343 HH21 ARG 38 1HH2 ARG 38 4.646 10.205 8.499 344 HH22 ARG 38 2HH2 ARG 38 6.286 10.760 8.486 345 H LEU 39 H LEU 39 -0.803 11.397 10.398 346 HA LEU 39 HA LEU 39 -1.902 13.883 10.756 347 HB2 LEU 39 2HB LEU 39 -1.690 12.327 8.644 348 HB3 LEU 39 1HB LEU 39 -3.350 11.914 9.026 349 HG LEU 39 HG LEU 39 -2.304 14.680 8.417 350 HD11 LEU 39 1HD1 LEU 39 -3.540 14.510 6.371 351 HD12 LEU 39 2HD1 LEU 39 -4.176 12.932 6.834 352 HD13 LEU 39 3HD1 LEU 39 -2.458 13.123 6.489 353 HD21 LEU 39 3HD2 LEU 39 -4.761 15.242 8.386 354 HD22 LEU 39 1HD2 LEU 39 -4.070 14.932 9.978 355 HD23 LEU 39 2HD2 LEU 39 -5.043 13.695 9.183 356 H ARG 40 H ARG 40 -3.722 10.805 10.958 357 HA ARG 40 HA ARG 40 -6.126 11.934 11.842 358 HB2 ARG 40 2HB ARG 40 -5.272 9.425 11.137 359 HB3 ARG 40 1HB ARG 40 -5.514 9.241 12.868 360 HG2 ARG 40 2HG ARG 40 -7.817 10.222 12.511 361 HG3 ARG 40 1HG ARG 40 -7.525 10.022 10.781 362 HD2 ARG 40 2HD ARG 40 -8.645 8.067 11.407 363 HD3 ARG 40 1HD ARG 40 -6.942 7.601 11.350 364 HE ARG 40 HE ARG 40 -7.590 8.449 13.948 365 HH11 ARG 40 1HH1 ARG 40 -8.203 5.795 11.768 366 HH12 ARG 40 2HH1 ARG 40 -8.421 4.638 13.038 367 HH21 ARG 40 1HH2 ARG 40 -7.874 6.925 15.621 368 HH22 ARG 40 2HH2 ARG 40 -8.234 5.278 15.223 369 H GLU 41 H GLU 41 -3.490 10.426 13.700 370 HA GLU 41 HA GLU 41 -4.515 10.659 16.245 371 HB2 GLU 41 2HB GLU 41 -1.683 10.845 15.234 372 HB3 GLU 41 1HB GLU 41 -2.060 10.886 16.951 373 HG2 GLU 41 2HG GLU 41 -2.985 8.657 15.167 374 HG3 GLU 41 1HG GLU 41 -1.407 8.646 15.953 375 H ALA 42 H ALA 42 -3.202 13.151 14.191 376 HA ALA 42 HA ALA 42 -2.609 15.135 16.040 377 HB1 ALA 42 1HB ALA 42 -2.227 15.162 13.532 378 HB2 ALA 42 2HB ALA 42 -2.744 16.682 14.263 379 HB3 ALA 42 3HB ALA 42 -3.903 15.689 13.380 380 H ARG 43 H ARG 43 -5.707 14.396 14.474 381 HA ARG 43 HA ARG 43 -7.078 16.272 16.251 382 HB2 ARG 43 2HB ARG 43 -9.005 15.970 14.791 383 HB3 ARG 43 1HB ARG 43 -7.585 16.463 13.884 384 HG2 ARG 43 2HG ARG 43 -7.361 14.414 12.847 385 HG3 ARG 43 1HG ARG 43 -8.258 13.559 14.102 386 HD2 ARG 43 2HD ARG 43 -9.718 15.640 12.581 387 HD3 ARG 43 1HD ARG 43 -9.314 14.155 11.721 388 HE ARG 43 HE ARG 43 -10.481 13.575 14.240 389 HH11 ARG 43 1HH1 ARG 43 -11.288 14.671 11.024 390 HH12 ARG 43 2HH1 ARG 43 -12.906 14.059 11.087 391 HH21 ARG 43 1HH2 ARG 43 -12.609 12.771 14.322 392 HH22 ARG 43 2HH2 ARG 43 -13.656 12.980 12.959 393 H ALA 44 H ALA 44 -9.475 15.322 16.694 394 HA ALA 44 HA ALA 44 -9.273 13.515 18.750 395 HB1 ALA 44 1HB ALA 44 -11.717 13.176 18.493 396 HB2 ALA 44 2HB ALA 44 -11.639 14.045 16.959 397 HB3 ALA 44 3HB ALA 44 -11.237 14.873 18.464 398 H1 GLY -7 1HT GLY -7 13.614 12.843 14.248 399 H2 GLY -7 2HT GLY -7 12.726 11.457 13.862 400 H3 GLY -7 3HT GLY -7 13.202 11.738 15.461 401 HA2 GLY -7 1HA GLY -7 10.832 12.227 15.075 402 HA3 GLY -7 2HA GLY -7 11.755 13.602 15.665 403 H ALA -6 H ALA -6 12.791 14.907 13.774 404 HA ALA -6 HA ALA -6 10.711 16.072 12.310 405 HB1 ALA -6 1HB ALA -6 12.879 17.155 12.937 406 HB2 ALA -6 2HB ALA -6 12.377 17.425 11.268 407 HB3 ALA -6 3HB ALA -6 13.640 16.248 11.630 408 H MET -5 H MET -5 11.166 16.435 9.781 409 HA MET -5 HA MET -5 12.014 14.151 8.307 410 HB2 MET -5 2HB MET -5 9.854 13.328 9.264 411 HB3 MET -5 1HB MET -5 9.030 14.624 8.408 412 HG2 MET -5 2HG MET -5 9.973 13.679 6.282 413 HG3 MET -5 1HG MET -5 10.514 12.294 7.227 414 HE1 MET -5 3HE MET -5 7.671 9.994 7.011 415 HE2 MET -5 1HE MET -5 8.721 10.466 8.349 416 HE3 MET -5 2HE MET -5 9.382 10.310 6.722 417 H GLY -4 H GLY -4 12.965 15.236 6.697 418 HA2 GLY -4 2HA GLY -4 11.518 16.583 4.716 419 HA3 GLY -4 1HA GLY -4 12.197 17.793 5.794 420 H SER -3 H SER -3 13.538 18.628 4.174 421 HA SER -3 HA SER -3 15.467 18.852 2.991 422 HB2 SER -3 2HB SER -3 16.527 16.461 4.501 423 HB3 SER -3 1HB SER -3 17.431 17.829 3.851 424 HG SER -3 HG SER -3 16.882 17.748 6.221 425 H MET -2 H MET -2 17.237 17.277 1.802 426 HA MET -2 HA MET -2 17.587 15.964 -0.014 427 HB2 MET -2 2HB MET -2 15.439 14.304 1.311 428 HB3 MET -2 1HB MET -2 16.387 13.768 -0.068 429 HG2 MET -2 2HG MET -2 17.621 14.620 2.534 430 HG3 MET -2 1HG MET -2 17.146 12.959 2.187 431 HE1 MET -2 3HE MET -2 20.621 12.359 2.180 432 HE2 MET -2 1HE MET -2 19.557 13.305 3.221 433 HE3 MET -2 2HE MET -2 20.878 14.094 2.358 434 H SER -1 H SER -1 16.794 15.402 -2.100 435 HA SER -1 HA SER -1 14.076 15.836 -2.849 436 HB2 SER -1 2HB SER -1 16.047 17.906 -3.842 437 HB3 SER -1 1HB SER -1 14.311 17.850 -4.142 438 HG SER -1 HG SER -1 13.920 18.472 -2.095 439 H HIS 2 H HIS 2 14.036 16.114 -5.391 440 HA HIS 2 HA HIS 2 15.913 15.381 -7.163 441 HB2 HIS 2 2HB HIS 2 16.565 13.389 -6.042 442 HB3 HIS 2 1HB HIS 2 14.898 12.888 -5.792 443 HD1 HIS 2 1HD HIS 2 17.718 12.266 -7.912 444 HD2 HIS 2 2HD HIS 2 13.604 12.334 -8.414 445 HE1 HIS 2 1HE HIS 2 17.287 10.995 -10.040 446 HE2 HIS 2 2HE HIS 2 14.797 11.164 -10.393 447 H ILE 3 H ILE 3 12.727 14.270 -6.124 448 HA ILE 3 HA ILE 3 10.677 14.422 -7.085 449 HB ILE 3 HB ILE 3 11.827 15.711 -9.546 450 HG12 ILE 3 2HG1 ILE 3 11.557 16.857 -6.795 451 HG13 ILE 3 1HG1 ILE 3 12.773 17.174 -8.024 452 HG21 ILE 3 1HG2 ILE 3 9.684 16.608 -9.846 453 HG22 ILE 3 2HG2 ILE 3 9.213 16.276 -8.181 454 HG23 ILE 3 3HG2 ILE 3 9.397 14.948 -9.326 455 HD11 ILE 3 3HD1 ILE 3 11.530 19.151 -7.813 456 HD12 ILE 3 1HD1 ILE 3 9.994 18.284 -7.839 457 HD13 ILE 3 2HD1 ILE 3 10.968 18.393 -9.304 458 H GLN 4 H GLN 4 10.413 12.229 -7.348 459 HA GLN 4 HA GLN 4 10.126 11.288 -10.001 460 HB2 GLN 4 2HB GLN 4 11.739 9.498 -10.047 461 HB3 GLN 4 1HB GLN 4 12.582 11.017 -9.801 462 HG2 GLN 4 2HG GLN 4 12.626 10.480 -7.347 463 HG3 GLN 4 1HG GLN 4 12.004 8.884 -7.764 464 HE21 GLN 4 1HE2 GLN 4 13.363 8.156 -9.931 465 HE22 GLN 4 2HE2 GLN 4 15.059 8.083 -9.611 466 H ILE 5 H ILE 5 8.375 10.110 -9.900 467 HA ILE 5 HA ILE 5 7.019 9.268 -7.666 468 HB ILE 5 HB ILE 5 6.909 7.858 -10.329 469 HG12 ILE 5 2HG1 ILE 5 6.724 10.333 -10.595 470 HG13 ILE 5 1HG1 ILE 5 5.274 9.470 -11.057 471 HG21 ILE 5 1HG2 ILE 5 4.544 7.487 -9.717 472 HG22 ILE 5 2HG2 ILE 5 4.876 8.193 -8.135 473 HG23 ILE 5 3HG2 ILE 5 5.681 6.701 -8.621 474 HD11 ILE 5 3HD1 ILE 5 5.746 11.260 -8.726 475 HD12 ILE 5 1HD1 ILE 5 4.489 10.028 -8.635 476 HD13 ILE 5 2HD1 ILE 5 4.430 11.253 -9.897 477 HA PRO 6 HA PRO 6 9.866 5.905 -6.408 478 HB2 PRO 6 2HB PRO 6 7.681 5.477 -4.434 479 HB3 PRO 6 1HB PRO 6 9.422 5.611 -4.174 480 HG2 PRO 6 2HG PRO 6 7.784 7.608 -3.534 481 HG3 PRO 6 1HG PRO 6 9.385 7.925 -4.230 482 HD2 PRO 6 2HD PRO 6 6.692 8.055 -5.526 483 HD3 PRO 6 1HD PRO 6 8.113 9.094 -5.763 484 HA PRO 7 HA PRO 7 7.628 2.945 -9.064 485 HB2 PRO 7 2HB PRO 7 9.791 1.260 -7.843 486 HB3 PRO 7 1HB PRO 7 9.217 1.311 -9.515 487 HG2 PRO 7 2HG PRO 7 11.465 2.546 -8.840 488 HG3 PRO 7 1HG PRO 7 10.328 3.302 -9.973 489 HD2 PRO 7 2HD PRO 7 10.878 3.959 -7.120 490 HD3 PRO 7 1HD PRO 7 10.389 5.026 -8.453 491 H GLY 8 H GLY 8 5.781 2.052 -8.401 492 HA2 GLY 8 2HA GLY 8 4.665 0.216 -7.324 493 HA3 GLY 8 1HA GLY 8 5.798 0.344 -5.992 494 H LEU 9 H LEU 9 5.526 3.284 -5.869 495 HA LEU 9 HA LEU 9 3.581 3.491 -3.908 496 HB2 LEU 9 2HB LEU 9 5.409 5.103 -4.260 497 HB3 LEU 9 1HB LEU 9 4.623 5.681 -5.711 498 HG LEU 9 HG LEU 9 4.412 7.071 -3.552 499 HD11 LEU 9 1HD1 LEU 9 1.770 6.439 -4.821 500 HD12 LEU 9 2HD1 LEU 9 3.045 7.276 -5.703 501 HD13 LEU 9 3HD1 LEU 9 2.379 7.982 -4.233 502 HD21 LEU 9 3HD2 LEU 9 2.209 5.112 -2.952 503 HD22 LEU 9 1HD2 LEU 9 2.749 6.481 -1.978 504 HD23 LEU 9 2HD2 LEU 9 3.786 5.067 -2.163 505 H THR 10 H THR 10 3.333 4.216 -7.368 506 HA THR 10 HA THR 10 0.798 5.325 -7.434 507 HB THR 10 HB THR 10 1.978 3.432 -9.475 508 HG1 THR 10 1HG THR 10 3.376 5.135 -9.133 509 HG21 THR 10 3HG2 THR 10 -0.180 3.716 -10.230 510 HG22 THR 10 1HG2 THR 10 0.670 5.037 -11.028 511 HG23 THR 10 2HG2 THR 10 -0.306 5.355 -9.594 512 H GLU 11 H GLU 11 1.720 1.912 -7.396 513 HA GLU 11 HA GLU 11 -0.892 0.874 -7.712 514 HB2 GLU 11 2HB GLU 11 1.679 -0.280 -6.658 515 HB3 GLU 11 1HB GLU 11 0.191 -1.214 -6.651 516 HG2 GLU 11 2HG GLU 11 1.674 -1.634 -8.600 517 HG3 GLU 11 1HG GLU 11 0.034 -1.141 -9.018 518 H LEU 12 H LEU 12 1.051 1.645 -4.846 519 HA LEU 12 HA LEU 12 -0.608 0.555 -2.897 520 HB2 LEU 12 2HB LEU 12 1.384 2.774 -2.941 521 HB3 LEU 12 1HB LEU 12 0.338 2.650 -1.541 522 HG LEU 12 HG LEU 12 2.430 1.551 -1.086 523 HD11 LEU 12 1HD1 LEU 12 0.629 -0.783 -1.511 524 HD12 LEU 12 2HD1 LEU 12 0.096 0.518 -0.447 525 HD13 LEU 12 3HD1 LEU 12 1.599 -0.339 -0.108 526 HD21 LEU 12 3HD2 LEU 12 3.194 1.047 -3.297 527 HD22 LEU 12 1HD2 LEU 12 1.851 -0.065 -3.562 528 HD23 LEU 12 2HD2 LEU 12 3.104 -0.461 -2.387 529 H LEU 13 H LEU 13 -0.601 3.896 -4.158 530 HA LEU 13 HA LEU 13 -2.837 4.796 -2.719 531 HB2 LEU 13 2HB LEU 13 -1.813 5.651 -5.429 532 HB3 LEU 13 1HB LEU 13 -3.019 6.525 -4.505 533 HG LEU 13 HG LEU 13 -0.170 6.049 -3.629 534 HD11 LEU 13 1HD1 LEU 13 -0.130 7.561 -5.461 535 HD12 LEU 13 2HD1 LEU 13 0.016 8.528 -3.995 536 HD13 LEU 13 3HD1 LEU 13 -1.526 8.446 -4.847 537 HD21 LEU 13 3HD2 LEU 13 -2.561 7.103 -2.276 538 HD22 LEU 13 1HD2 LEU 13 -1.114 8.100 -2.123 539 HD23 LEU 13 2HD2 LEU 13 -1.084 6.414 -1.609 540 H GLN 14 H GLN 14 -2.539 3.288 -5.898 541 HA GLN 14 HA GLN 14 -5.246 3.459 -6.633 542 HB2 GLN 14 2HB GLN 14 -3.146 2.797 -8.035 543 HB3 GLN 14 1HB GLN 14 -3.505 1.165 -7.491 544 HG2 GLN 14 2HG GLN 14 -5.944 1.920 -8.378 545 HG3 GLN 14 1HG GLN 14 -4.914 2.874 -9.441 546 HE21 GLN 14 1HE2 GLN 14 -2.760 1.013 -9.548 547 HE22 GLN 14 2HE2 GLN 14 -3.286 -0.334 -10.489 548 H GLY 15 H GLY 15 -3.424 0.906 -4.980 549 HA2 GLY 15 2HA GLY 15 -5.383 -1.048 -4.818 550 HA3 GLY 15 1HA GLY 15 -4.109 -0.817 -3.633 551 H TYR 16 H TYR 16 -4.906 1.765 -2.749 552 HA TYR 16 HA TYR 16 -6.969 0.988 -0.897 553 HB2 TYR 16 2HB TYR 16 -5.168 2.276 -0.011 554 HB3 TYR 16 1HB TYR 16 -5.335 3.502 -1.262 555 HD1 TYR 16 2HD TYR 16 -7.066 2.026 1.679 556 HD2 TYR 16 1HD TYR 16 -6.676 5.399 -0.887 557 HE1 TYR 16 2HE TYR 16 -8.512 3.328 3.181 558 HE2 TYR 16 1HE TYR 16 -8.122 6.712 0.610 559 HH TYR 16 HH TYR 16 -10.129 5.551 2.704 560 H THR 17 H THR 17 -6.621 3.433 -3.443 561 HA THR 17 HA THR 17 -9.065 4.700 -3.194 562 HB THR 17 HB THR 17 -7.739 4.140 -5.844 563 HG1 THR 17 1HG THR 17 -6.354 5.822 -5.389 564 HG21 THR 17 3HG2 THR 17 -8.769 6.807 -5.105 565 HG22 THR 17 1HG2 THR 17 -9.964 5.557 -5.455 566 HG23 THR 17 2HG2 THR 17 -8.755 5.983 -6.663 567 H VAL 18 H VAL 18 -8.311 1.723 -4.978 568 HA VAL 18 HA VAL 18 -10.790 1.460 -6.272 569 HB VAL 18 HB VAL 18 -10.284 -0.992 -6.398 570 HG11 VAL 18 1HG1 VAL 18 -8.220 -0.714 -7.773 571 HG12 VAL 18 2HG1 VAL 18 -8.130 0.951 -7.203 572 HG13 VAL 18 3HG1 VAL 18 -9.514 0.421 -8.158 573 HG21 VAL 18 3HG2 VAL 18 -8.377 -1.952 -5.462 574 HG22 VAL 18 1HG2 VAL 18 -8.999 -0.940 -4.161 575 HG23 VAL 18 2HG2 VAL 18 -7.635 -0.391 -5.128 576 H GLU 19 H GLU 19 -9.850 0.788 -2.994 577 HA GLU 19 HA GLU 19 -12.164 -0.821 -2.384 578 HB2 GLU 19 2HB GLU 19 -10.034 0.447 -0.664 579 HB3 GLU 19 1HB GLU 19 -11.390 -0.443 0.015 580 HG2 GLU 19 2HG GLU 19 -9.591 -1.681 -2.037 581 HG3 GLU 19 1HG GLU 19 -9.163 -1.666 -0.328 582 H VAL 20 H VAL 20 -11.118 2.508 -1.695 583 HA VAL 20 HA VAL 20 -13.259 3.390 -0.188 584 HB VAL 20 HB VAL 20 -11.880 5.016 -2.336 585 HG11 VAL 20 1HG1 VAL 20 -12.542 6.943 -1.186 586 HG12 VAL 20 2HG1 VAL 20 -12.963 6.044 0.269 587 HG13 VAL 20 3HG1 VAL 20 -13.980 5.924 -1.166 588 HG21 VAL 20 3HG2 VAL 20 -10.065 4.273 -1.123 589 HG22 VAL 20 1HG2 VAL 20 -10.976 4.159 0.382 590 HG23 VAL 20 2HG2 VAL 20 -10.486 5.736 -0.237 591 H LEU 21 H LEU 21 -12.932 3.332 -3.715 592 HA LEU 21 HA LEU 21 -15.443 4.425 -4.321 593 HB2 LEU 21 2HB LEU 21 -13.705 2.522 -5.890 594 HB3 LEU 21 1HB LEU 21 -15.125 3.316 -6.546 595 HG LEU 21 HG LEU 21 -12.911 4.968 -5.378 596 HD11 LEU 21 1HD1 LEU 21 -11.729 3.533 -6.884 597 HD12 LEU 21 2HD1 LEU 21 -11.926 5.105 -7.658 598 HD13 LEU 21 3HD1 LEU 21 -12.955 3.754 -8.135 599 HD21 LEU 21 3HD2 LEU 21 -15.113 5.956 -6.017 600 HD22 LEU 21 1HD2 LEU 21 -14.780 5.487 -7.684 601 HD23 LEU 21 2HD2 LEU 21 -13.732 6.646 -6.867 602 H ARG 22 H ARG 22 -14.398 1.090 -3.820 603 HA ARG 22 HA ARG 22 -16.936 -0.059 -4.481 604 HB2 ARG 22 2HB ARG 22 -14.564 -1.244 -3.038 605 HB3 ARG 22 1HB ARG 22 -15.944 -2.156 -3.631 606 HG2 ARG 22 2HG ARG 22 -14.520 -0.490 -5.621 607 HG3 ARG 22 1HG ARG 22 -13.644 -1.881 -4.990 608 HD2 ARG 22 2HD ARG 22 -14.762 -2.633 -6.927 609 HD3 ARG 22 1HD ARG 22 -15.672 -3.269 -5.561 610 HE ARG 22 HE ARG 22 -16.731 -0.783 -6.428 611 HH11 ARG 22 1HH1 ARG 22 -16.607 -4.169 -7.266 612 HH12 ARG 22 2HH1 ARG 22 -18.126 -4.146 -8.096 613 HH21 ARG 22 1HH2 ARG 22 -18.728 -0.753 -7.523 614 HH22 ARG 22 2HH2 ARG 22 -19.330 -2.208 -8.243 615 H GLN 23 H GLN 23 -15.488 1.074 -1.485 616 HA GLN 23 HA GLN 23 -17.719 -0.121 0.030 617 HB2 GLN 23 2HB GLN 23 -15.191 -0.481 0.604 618 HB3 GLN 23 1HB GLN 23 -15.317 1.115 1.330 619 HG2 GLN 23 2HG GLN 23 -15.690 -0.406 3.072 620 HG3 GLN 23 1HG GLN 23 -17.283 0.215 2.643 621 HE21 GLN 23 1HE2 GLN 23 -18.670 -1.393 2.977 622 HE22 GLN 23 2HE2 GLN 23 -18.497 -3.011 2.398 623 H GLN 24 H GLN 24 -15.887 2.902 -0.292 624 HA GLN 24 HA GLN 24 -16.479 5.068 0.014 625 HB2 GLN 24 2HB GLN 24 -19.355 4.170 0.220 626 HB3 GLN 24 1HB GLN 24 -18.750 5.749 -0.254 627 HG2 GLN 24 2HG GLN 24 -18.197 3.271 -1.857 628 HG3 GLN 24 1HG GLN 24 -19.637 4.256 -2.093 629 HE21 GLN 24 1HE2 GLN 24 -18.419 4.179 -4.273 630 HE22 GLN 24 2HE2 GLN 24 -17.386 5.530 -4.582 631 HA PRO 25 HA PRO 25 -16.952 4.069 4.571 632 HB2 PRO 25 2HB PRO 25 -14.497 4.871 5.368 633 HB3 PRO 25 1HB PRO 25 -14.799 3.251 4.725 634 HG2 PRO 25 2HG PRO 25 -13.717 5.668 3.317 635 HG3 PRO 25 1HG PRO 25 -13.121 4.001 3.285 636 HD2 PRO 25 2HD PRO 25 -14.660 5.011 1.311 637 HD3 PRO 25 1HD PRO 25 -14.751 3.309 1.799 638 HA PRO 26 HA PRO 26 -18.019 8.214 5.720 639 HB2 PRO 26 2HB PRO 26 -16.869 7.728 8.415 640 HB3 PRO 26 1HB PRO 26 -18.521 8.160 7.958 641 HG2 PRO 26 2HG PRO 26 -17.918 5.696 8.793 642 HG3 PRO 26 1HG PRO 26 -19.112 5.968 7.510 643 HD2 PRO 26 2HD PRO 26 -16.262 5.069 7.289 644 HD3 PRO 26 1HD PRO 26 -17.697 4.512 6.402 645 H ASP 27 H ASP 27 -14.840 7.111 6.870 646 HA ASP 27 HA ASP 27 -13.713 9.716 6.081 647 HB2 ASP 27 2HB ASP 27 -13.088 8.193 8.620 648 HB3 ASP 27 1HB ASP 27 -12.199 9.602 8.048 649 H LEU 28 H LEU 28 -11.964 9.585 4.839 650 HA LEU 28 HA LEU 28 -11.028 7.007 4.017 651 HB2 LEU 28 2HB LEU 28 -10.503 9.829 3.230 652 HB3 LEU 28 1HB LEU 28 -9.321 8.616 2.770 653 HG LEU 28 HG LEU 28 -11.159 7.352 1.636 654 HD11 LEU 28 1HD1 LEU 28 -13.247 8.524 1.161 655 HD12 LEU 28 2HD1 LEU 28 -12.741 9.855 2.201 656 HD13 LEU 28 3HD1 LEU 28 -13.039 8.260 2.892 657 HD21 LEU 28 3HD2 LEU 28 -11.185 8.736 -0.317 658 HD22 LEU 28 1HD2 LEU 28 -9.613 8.913 0.463 659 HD23 LEU 28 2HD2 LEU 28 -10.831 10.176 0.637 660 H VAL 29 H VAL 29 -9.505 9.796 5.655 661 HA VAL 29 HA VAL 29 -6.975 8.797 6.055 662 HB VAL 29 HB VAL 29 -7.636 11.067 6.721 663 HG11 VAL 29 1HG1 VAL 29 -8.841 11.482 8.792 664 HG12 VAL 29 2HG1 VAL 29 -9.033 9.749 9.047 665 HG13 VAL 29 3HG1 VAL 29 -9.821 10.532 7.677 666 HG21 VAL 29 3HG2 VAL 29 -6.379 9.366 8.869 667 HG22 VAL 29 1HG2 VAL 29 -6.456 11.124 8.961 668 HG23 VAL 29 2HG2 VAL 29 -5.577 10.348 7.646 669 H GLU 30 H GLU 30 -9.946 7.976 7.707 670 HA GLU 30 HA GLU 30 -8.683 6.414 9.763 671 HB2 GLU 30 2HB GLU 30 -10.933 7.556 9.965 672 HB3 GLU 30 1HB GLU 30 -11.574 6.317 8.895 673 HG2 GLU 30 2HG GLU 30 -10.738 4.620 10.564 674 HG3 GLU 30 1HG GLU 30 -10.441 5.973 11.654 675 H PHE 31 H PHE 31 -10.731 5.615 6.954 676 HA PHE 31 HA PHE 31 -10.430 2.841 7.088 677 HB2 PHE 31 2HB PHE 31 -12.126 3.974 5.714 678 HB3 PHE 31 1HB PHE 31 -10.861 4.568 4.643 679 HD1 PHE 31 2HD PHE 31 -11.902 1.295 6.109 680 HD2 PHE 31 1HD PHE 31 -10.681 3.445 2.647 681 HE1 PHE 31 2HE PHE 31 -12.100 -0.760 4.769 682 HE2 PHE 31 1HE PHE 31 -10.877 1.397 1.301 683 HZ PHE 31 HZ PHE 31 -11.587 -0.709 2.360 684 H ALA 32 H ALA 32 -8.266 5.286 5.931 685 HA ALA 32 HA ALA 32 -6.626 3.533 4.355 686 HB1 ALA 32 1HB ALA 32 -6.873 5.980 3.947 687 HB2 ALA 32 2HB ALA 32 -5.204 5.409 4.023 688 HB3 ALA 32 3HB ALA 32 -5.910 6.259 5.399 689 H VAL 33 H VAL 33 -6.299 5.023 7.568 690 HA VAL 33 HA VAL 33 -3.736 4.123 8.126 691 HB VAL 33 HB VAL 33 -5.424 5.645 9.512 692 HG11 VAL 33 1HG1 VAL 33 -6.325 4.656 11.449 693 HG12 VAL 33 2HG1 VAL 33 -5.490 3.132 11.160 694 HG13 VAL 33 3HG1 VAL 33 -6.818 3.623 10.111 695 HG21 VAL 33 3HG2 VAL 33 -3.114 4.039 10.570 696 HG22 VAL 33 1HG2 VAL 33 -3.884 5.329 11.497 697 HG23 VAL 33 2HG2 VAL 33 -3.108 5.693 9.954 698 H GLU 34 H GLU 34 -6.786 2.417 8.286 699 HA GLU 34 HA GLU 34 -5.720 0.115 9.638 700 HB2 GLU 34 2HB GLU 34 -8.332 0.678 8.243 701 HB3 GLU 34 1HB GLU 34 -7.951 -0.901 8.918 702 HG2 GLU 34 2HG GLU 34 -7.994 1.663 10.490 703 HG3 GLU 34 1HG GLU 34 -9.326 0.513 10.401 704 H TYR 35 H TYR 35 -6.641 0.890 6.309 705 HA TYR 35 HA TYR 35 -6.178 -1.609 5.156 706 HB2 TYR 35 2HB TYR 35 -7.345 0.153 3.962 707 HB3 TYR 35 1HB TYR 35 -5.894 1.149 3.949 708 HD1 TYR 35 2HD TYR 35 -3.930 0.441 2.570 709 HD2 TYR 35 1HD TYR 35 -7.696 -1.522 2.303 710 HE1 TYR 35 2HE TYR 35 -3.265 -0.531 0.412 711 HE2 TYR 35 1HE TYR 35 -7.040 -2.498 0.141 712 HH TYR 35 HH TYR 35 -5.058 -3.023 -1.117 713 H PHE 36 H PHE 36 -3.934 1.146 5.502 714 HA PHE 36 HA PHE 36 -1.763 -0.166 4.243 715 HB2 PHE 36 2HB PHE 36 -1.974 2.241 6.037 716 HB3 PHE 36 1HB PHE 36 -0.408 1.644 5.495 717 HD1 PHE 36 2HD PHE 36 -0.268 1.184 2.894 718 HD2 PHE 36 1HD PHE 36 -2.994 3.878 4.748 719 HE1 PHE 36 2HE PHE 36 -0.503 2.401 0.772 720 HE2 PHE 36 1HE PHE 36 -3.237 5.097 2.624 721 HZ PHE 36 HZ PHE 36 -1.987 4.359 0.633 722 H THR 37 H THR 37 -2.766 0.063 7.632 723 HA THR 37 HA THR 37 -0.442 -1.139 8.712 724 HB THR 37 HB THR 37 -1.937 -1.620 10.693 725 HG1 THR 37 1HG THR 37 -4.023 -0.842 10.620 726 HG21 THR 37 3HG2 THR 37 -0.906 0.396 11.009 727 HG22 THR 37 1HG2 THR 37 -2.598 0.889 10.990 728 HG23 THR 37 2HG2 THR 37 -1.601 1.107 9.553 729 H ARG 38 H ARG 38 -3.402 -2.408 7.367 730 HA ARG 38 HA ARG 38 -3.200 -5.073 8.250 731 HB2 ARG 38 2HB ARG 38 -4.528 -3.773 5.892 732 HB3 ARG 38 1HB ARG 38 -4.481 -5.525 6.005 733 HG2 ARG 38 2HG ARG 38 -5.648 -3.689 8.088 734 HG3 ARG 38 1HG ARG 38 -6.571 -4.559 6.864 735 HD2 ARG 38 2HD ARG 38 -6.773 -6.125 8.472 736 HD3 ARG 38 1HD ARG 38 -5.147 -6.593 7.976 737 HE ARG 38 HE ARG 38 -4.795 -4.638 9.872 738 HH11 ARG 38 1HH1 ARG 38 -6.347 -7.764 9.757 739 HH12 ARG 38 2HH1 ARG 38 -6.096 -8.087 11.439 740 HH21 ARG 38 1HH2 ARG 38 -4.466 -5.064 12.082 741 HH22 ARG 38 2HH2 ARG 38 -5.029 -6.556 12.759 742 H LEU 39 H LEU 39 -1.818 -3.401 5.478 743 HA LEU 39 HA LEU 39 -0.674 -5.700 4.259 744 HB2 LEU 39 2HB LEU 39 0.006 -2.769 4.023 745 HB3 LEU 39 1HB LEU 39 0.737 -4.019 3.034 746 HG LEU 39 HG LEU 39 -2.238 -3.519 3.098 747 HD11 LEU 39 1HD1 LEU 39 -1.228 -1.486 2.326 748 HD12 LEU 39 2HD1 LEU 39 -1.890 -2.347 0.937 749 HD13 LEU 39 3HD1 LEU 39 -0.154 -2.375 1.246 750 HD21 LEU 39 3HD2 LEU 39 -1.775 -5.681 2.261 751 HD22 LEU 39 1HD2 LEU 39 -0.403 -5.105 1.315 752 HD23 LEU 39 2HD2 LEU 39 -2.045 -4.666 0.846 753 H ARG 40 H ARG 40 0.813 -3.072 6.170 754 HA ARG 40 HA ARG 40 3.374 -4.115 6.337 755 HB2 ARG 40 2HB ARG 40 1.779 -2.162 7.868 756 HB3 ARG 40 1HB ARG 40 3.086 -2.895 8.786 757 HG2 ARG 40 2HG ARG 40 3.567 -1.707 6.079 758 HG3 ARG 40 1HG ARG 40 3.554 -0.711 7.534 759 HD2 ARG 40 2HD ARG 40 5.271 -3.165 7.251 760 HD3 ARG 40 1HD ARG 40 5.815 -1.562 6.762 761 HE ARG 40 HE ARG 40 4.852 -1.486 9.411 762 HH11 ARG 40 1HH1 ARG 40 7.559 -2.648 7.540 763 HH12 ARG 40 2HH1 ARG 40 8.676 -2.542 8.859 764 HH21 ARG 40 1HH2 ARG 40 6.321 -1.344 11.147 765 HH22 ARG 40 2HH2 ARG 40 7.973 -1.803 10.907 766 H GLU 41 H GLU 41 0.737 -4.528 8.702 767 HA GLU 41 HA GLU 41 2.091 -6.271 10.412 768 HB2 GLU 41 2HB GLU 41 -0.862 -5.993 9.847 769 HB3 GLU 41 1HB GLU 41 -0.205 -6.962 11.157 770 HG2 GLU 41 2HG GLU 41 0.744 -5.012 12.192 771 HG3 GLU 41 1HG GLU 41 0.260 -4.007 10.828 772 H ALA 42 H ALA 42 0.751 -6.840 7.293 773 HA ALA 42 HA ALA 42 0.061 -9.519 7.383 774 HB1 ALA 42 1HB ALA 42 -0.105 -7.849 5.437 775 HB2 ALA 42 2HB ALA 42 0.213 -9.541 5.056 776 HB3 ALA 42 3HB ALA 42 1.532 -8.370 5.033 777 H ARG 43 H ARG 43 3.209 -8.055 7.496 778 HA ARG 43 HA ARG 43 4.820 -10.175 6.678 779 HB2 ARG 43 2HB ARG 43 6.591 -9.125 8.037 780 HB3 ARG 43 1HB ARG 43 5.723 -7.959 7.051 781 HG2 ARG 43 2HG ARG 43 5.671 -6.762 8.956 782 HG3 ARG 43 1HG ARG 43 4.298 -7.795 9.346 783 HD2 ARG 43 2HD ARG 43 5.831 -7.692 11.223 784 HD3 ARG 43 1HD ARG 43 5.802 -9.319 10.549 785 HE ARG 43 HE ARG 43 8.011 -9.098 10.025 786 HH11 ARG 43 1HH1 ARG 43 6.705 -5.910 10.612 787 HH12 ARG 43 2HH1 ARG 43 8.246 -5.130 10.519 788 HH21 ARG 43 1HH2 ARG 43 10.034 -8.066 9.904 789 HH22 ARG 43 2HH2 ARG 43 10.133 -6.351 10.118 790 H ALA 44 H ALA 44 6.111 -11.648 7.970 791 HA ALA 44 HA ALA 44 6.312 -13.372 9.442 792 HB1 ALA 44 1HB ALA 44 6.041 -12.883 11.771 793 HB2 ALA 44 2HB ALA 44 4.985 -11.517 11.413 794 HB3 ALA 44 3HB ALA 44 6.694 -11.450 10.980 795 H1 ALA 578 1HT ALA 578 10.109 -9.595 -26.971 796 H2 ALA 578 2HT ALA 578 9.349 -8.138 -27.468 797 H3 ALA 578 3HT ALA 578 10.965 -8.470 -27.941 798 HA ALA 578 HA ALA 578 9.130 -8.805 -29.608 799 HB1 ALA 578 2HB ALA 578 11.378 -9.510 -30.034 800 HB2 ALA 578 3HB ALA 578 10.293 -10.820 -30.499 801 HB3 ALA 578 1HB ALA 578 11.190 -10.914 -28.982 802 H MET 579 H MET 579 9.732 -11.680 -27.578 803 HA MET 579 HA MET 579 7.233 -12.868 -28.335 804 HB2 MET 579 2HB MET 579 9.278 -13.640 -26.247 805 HB3 MET 579 1HB MET 579 7.869 -14.610 -26.654 806 HG2 MET 579 2HG MET 579 8.667 -14.991 -28.860 807 HG3 MET 579 1HG MET 579 9.965 -13.816 -28.655 808 HE1 MET 579 3HE MET 579 11.857 -13.977 -27.244 809 HE2 MET 579 1HE MET 579 12.507 -15.073 -28.463 810 HE3 MET 579 2HE MET 579 12.657 -15.469 -26.751 811 H ALA 580 H ALA 580 5.367 -12.085 -27.577 812 HA ALA 580 HA ALA 580 5.220 -10.831 -24.956 813 HB1 ALA 580 1HB ALA 580 3.034 -11.230 -26.994 814 HB2 ALA 580 2HB ALA 580 4.102 -9.829 -26.925 815 HB3 ALA 580 3HB ALA 580 2.996 -10.161 -25.591 816 H ASP 581 H ASP 581 4.845 -12.016 -23.197 817 HA ASP 581 HA ASP 581 2.717 -13.961 -23.141 818 HB2 ASP 581 2HB ASP 581 5.588 -14.827 -22.754 819 HB3 ASP 581 1HB ASP 581 4.200 -15.788 -22.254 820 H ILE 582 H ILE 582 1.826 -12.644 -21.559 821 HA ILE 582 HA ILE 582 3.097 -12.844 -18.924 822 HB ILE 582 HB ILE 582 3.492 -10.579 -19.993 823 HG12 ILE 582 2HG1 ILE 582 3.648 -11.025 -17.561 824 HG13 ILE 582 1HG1 ILE 582 3.166 -9.376 -17.932 825 HG21 ILE 582 1HG2 ILE 582 0.597 -10.067 -19.368 826 HG22 ILE 582 2HG2 ILE 582 1.192 -10.438 -20.986 827 HG23 ILE 582 3HG2 ILE 582 1.752 -8.989 -20.150 828 HD11 ILE 582 3HD1 ILE 582 1.675 -9.775 -16.299 829 HD12 ILE 582 1HD1 ILE 582 1.701 -11.518 -16.546 830 HD13 ILE 582 2HD1 ILE 582 0.742 -10.490 -17.611 831 H GLY 583 H GLY 583 1.738 -13.616 -17.447 832 HA2 GLY 583 2HA GLY 583 -0.956 -14.253 -18.099 833 HA3 GLY 583 1HA GLY 583 -0.199 -14.448 -16.524 834 H SER 584 H SER 584 -1.300 -13.409 -15.003 835 HA SER 584 HA SER 584 -1.775 -10.618 -15.108 836 HB2 SER 584 2HB SER 584 -4.268 -10.702 -15.015 837 HB3 SER 584 1HB SER 584 -3.616 -11.202 -16.576 838 HG SER 584 HG SER 584 -4.600 -12.859 -14.497 839 H ALA 585 H ALA 585 -2.040 -9.814 -13.082 840 HA ALA 585 HA ALA 585 -1.711 -11.588 -10.871 841 HB1 ALA 585 1HB ALA 585 -0.655 -9.427 -10.826 842 HB2 ALA 585 2HB ALA 585 -1.825 -9.520 -9.508 843 HB3 ALA 585 3HB ALA 585 -2.215 -8.618 -10.973 844 H SER 586 H SER 586 -4.299 -9.263 -11.674 845 HA SER 586 HA SER 586 -6.510 -9.207 -11.153 846 HB2 SER 586 2HB SER 586 -7.729 -11.189 -11.386 847 HB3 SER 586 1HB SER 586 -6.257 -11.530 -12.294 848 HG SER 586 HG SER 586 -5.491 -12.715 -10.558 849 H GLY 587 H GLY 587 -8.161 -9.930 -9.391 850 HA2 GLY 587 2HA GLY 587 -7.174 -10.777 -6.869 851 HA3 GLY 587 1HA GLY 587 -7.266 -9.024 -6.922 852 H TYR 588 H TYR 588 -9.464 -8.286 -7.964 853 HA TYR 588 HA TYR 588 -11.819 -9.666 -7.849 854 HB2 TYR 588 2HB TYR 588 -12.772 -9.182 -5.641 855 HB3 TYR 588 1HB TYR 588 -11.340 -10.184 -5.480 856 HD1 TYR 588 1HD TYR 588 -9.262 -9.242 -4.541 857 HD2 TYR 588 2HD TYR 588 -12.819 -6.920 -4.798 858 HE1 TYR 588 1HE TYR 588 -8.301 -7.606 -2.980 859 HE2 TYR 588 2HE TYR 588 -11.867 -5.278 -3.240 860 HH TYR 588 HH TYR 588 -9.021 -4.748 -2.636 861 H VAL 589 H VAL 589 -10.427 -7.294 -8.934 862 HA VAL 589 HA VAL 589 -12.381 -5.177 -8.320 863 HB VAL 589 HB VAL 589 -9.726 -4.843 -9.716 864 HG11 VAL 589 1HG1 VAL 589 -11.668 -2.905 -8.476 865 HG12 VAL 589 2HG1 VAL 589 -11.196 -3.023 -10.172 866 HG13 VAL 589 3HG1 VAL 589 -10.029 -2.475 -8.967 867 HG21 VAL 589 3HG2 VAL 589 -9.198 -5.677 -7.553 868 HG22 VAL 589 1HG2 VAL 589 -10.402 -4.640 -6.789 869 HG23 VAL 589 2HG2 VAL 589 -8.953 -3.932 -7.502 870 HA PRO 590 HA PRO 590 -13.904 -6.018 -12.462 871 HB2 PRO 590 2HB PRO 590 -15.852 -4.140 -12.568 872 HB3 PRO 590 1HB PRO 590 -16.010 -5.619 -11.615 873 HG2 PRO 590 2HG PRO 590 -15.288 -2.863 -10.729 874 HG3 PRO 590 1HG PRO 590 -16.362 -4.039 -9.955 875 HD2 PRO 590 2HD PRO 590 -13.779 -3.604 -9.163 876 HD3 PRO 590 1HD PRO 590 -14.622 -5.151 -8.949 877 H GLU 591 H GLU 591 -14.741 -4.273 -14.298 878 HA GLU 591 HA GLU 591 -12.325 -3.073 -15.184 879 HB2 GLU 591 2HB GLU 591 -15.126 -3.096 -16.288 880 HB3 GLU 591 1HB GLU 591 -13.799 -2.275 -17.097 881 HG2 GLU 591 2HG GLU 591 -14.199 -4.487 -18.030 882 HG3 GLU 591 1HG GLU 591 -12.596 -4.366 -17.309 883 H GLU 592 H GLU 592 -15.509 -1.437 -14.956 884 HA GLU 592 HA GLU 592 -14.643 1.127 -15.187 885 HB2 GLU 592 2HB GLU 592 -16.965 0.017 -13.626 886 HB3 GLU 592 1HB GLU 592 -16.727 1.740 -13.889 887 HG2 GLU 592 2HG GLU 592 -16.855 1.416 -16.288 888 HG3 GLU 592 1HG GLU 592 -17.026 -0.324 -16.059 889 H ILE 593 H ILE 593 -14.524 -0.813 -12.253 890 HA ILE 593 HA ILE 593 -14.030 1.391 -10.508 891 HB ILE 593 HB ILE 593 -13.571 -1.567 -10.162 892 HG12 ILE 593 2HG1 ILE 593 -15.931 -0.587 -10.251 893 HG13 ILE 593 1HG1 ILE 593 -15.535 -1.562 -8.842 894 HG21 ILE 593 1HG2 ILE 593 -13.314 -0.964 -7.701 895 HG22 ILE 593 2HG2 ILE 593 -13.006 0.681 -8.254 896 HG23 ILE 593 3HG2 ILE 593 -11.941 -0.630 -8.756 897 HD11 ILE 593 3HD1 ILE 593 -15.164 0.494 -7.549 898 HD12 ILE 593 1HD1 ILE 593 -16.798 0.393 -8.198 899 HD13 ILE 593 2HD1 ILE 593 -15.611 1.449 -8.959 900 H TRP 594 H TRP 594 -12.040 -0.574 -12.582 901 HA TRP 594 HA TRP 594 -9.583 0.188 -11.302 902 HB2 TRP 594 2HB TRP 594 -9.863 -1.982 -12.526 903 HB3 TRP 594 1HB TRP 594 -9.935 -1.062 -14.029 904 HD1 TRP 594 HD TRP 594 -7.673 -0.097 -14.986 905 HE1 TRP 594 1HE TRP 594 -5.202 -0.471 -14.368 906 HE3 TRP 594 3HE TRP 594 -8.318 -2.455 -10.508 907 HZ2 TRP 594 2HZ TRP 594 -3.721 -1.632 -12.247 908 HZ3 TRP 594 3HZ TRP 594 -6.334 -3.164 -9.245 909 HH2 TRP 594 HH TRP 594 -4.089 -2.765 -10.096 910 H LYS 595 H LYS 595 -11.284 1.061 -14.281 911 HA LYS 595 HA LYS 595 -9.370 2.829 -15.288 912 HB2 LYS 595 2HB LYS 595 -12.348 3.246 -15.538 913 HB3 LYS 595 1HB LYS 595 -11.089 3.716 -16.672 914 HG2 LYS 595 2HG LYS 595 -10.634 1.189 -16.885 915 HG3 LYS 595 1HG LYS 595 -12.219 0.994 -16.135 916 HD2 LYS 595 2HD LYS 595 -11.566 2.380 -18.731 917 HD3 LYS 595 1HD LYS 595 -12.522 0.914 -18.500 918 HE2 LYS 595 2HE LYS 595 -14.127 2.322 -17.152 919 HE3 LYS 595 1HE LYS 595 -13.237 3.733 -17.723 920 HZ1 LYS 595 3HZ LYS 595 -13.711 2.460 -20.019 921 HZ2 LYS 595 1HZ LYS 595 -14.732 3.648 -19.378 922 HZ3 LYS 595 2HZ LYS 595 -15.086 2.012 -19.144 923 H LYS 596 H LYS 596 -12.118 3.395 -13.067 924 HA LYS 596 HA LYS 596 -11.658 6.158 -12.816 925 HB2 LYS 596 2HB LYS 596 -13.504 4.214 -11.763 926 HB3 LYS 596 1HB LYS 596 -12.924 5.221 -10.448 927 HG2 LYS 596 2HG LYS 596 -14.860 6.273 -11.233 928 HG3 LYS 596 1HG LYS 596 -13.524 7.216 -11.896 929 HD2 LYS 596 2HD LYS 596 -13.752 5.856 -14.002 930 HD3 LYS 596 1HD LYS 596 -15.234 5.183 -13.318 931 HE2 LYS 596 2HE LYS 596 -16.045 7.562 -13.056 932 HE3 LYS 596 1HE LYS 596 -14.659 8.051 -14.031 933 HZ1 LYS 596 3HZ LYS 596 -16.379 5.939 -15.090 934 HZ2 LYS 596 1HZ LYS 596 -15.550 7.170 -15.905 935 HZ3 LYS 596 2HZ LYS 596 -16.993 7.515 -15.094 936 H ALA 597 H ALA 597 -10.969 3.566 -10.387 937 HA ALA 597 HA ALA 597 -9.718 5.087 -8.511 938 HB1 ALA 597 1HB ALA 597 -10.282 2.618 -8.453 939 HB2 ALA 597 2HB ALA 597 -8.792 3.114 -7.654 940 HB3 ALA 597 3HB ALA 597 -8.728 2.351 -9.242 941 H GLU 598 H GLU 598 -8.346 3.851 -11.502 942 HA GLU 598 HA GLU 598 -5.644 4.462 -10.935 943 HB2 GLU 598 2HB GLU 598 -7.184 3.855 -13.430 944 HB3 GLU 598 1HB GLU 598 -5.550 4.486 -13.578 945 HG2 GLU 598 2HG GLU 598 -4.879 2.587 -11.992 946 HG3 GLU 598 1HG GLU 598 -6.463 1.904 -12.360 947 H GLU 599 H GLU 599 -8.235 6.334 -12.440 948 HA GLU 599 HA GLU 599 -6.667 8.504 -13.311 949 HB2 GLU 599 2HB GLU 599 -9.563 8.346 -12.471 950 HB3 GLU 599 1HB GLU 599 -8.838 9.811 -13.120 951 HG2 GLU 599 2HG GLU 599 -8.795 7.198 -14.597 952 HG3 GLU 599 1HG GLU 599 -10.120 8.352 -14.740 953 H ALA 600 H ALA 600 -8.311 7.885 -10.222 954 HA ALA 600 HA ALA 600 -7.863 10.306 -8.962 955 HB1 ALA 600 1HB ALA 600 -8.345 9.241 -6.953 956 HB2 ALA 600 2HB ALA 600 -7.633 7.717 -7.480 957 HB3 ALA 600 3HB ALA 600 -9.169 8.253 -8.158 958 H VAL 601 H VAL 601 -5.683 7.508 -9.158 959 HA VAL 601 HA VAL 601 -3.689 8.700 -7.505 960 HB VAL 601 HB VAL 601 -3.221 6.467 -9.483 961 HG11 VAL 601 1HG1 VAL 601 -1.536 5.815 -7.723 962 HG12 VAL 601 2HG1 VAL 601 -1.829 7.387 -6.980 963 HG13 VAL 601 3HG1 VAL 601 -1.177 7.295 -8.613 964 HG21 VAL 601 3HG2 VAL 601 -5.078 5.736 -8.206 965 HG22 VAL 601 1HG2 VAL 601 -4.408 6.397 -6.715 966 HG23 VAL 601 2HG2 VAL 601 -3.663 4.989 -7.470 967 H ASN 602 H ASN 602 -4.124 8.432 -11.002 968 HA ASN 602 HA ASN 602 -1.631 9.528 -11.743 969 HB2 ASN 602 2HB ASN 602 -4.282 9.463 -13.190 970 HB3 ASN 602 1HB ASN 602 -2.785 10.032 -13.924 971 HD21 ASN 602 1HD2 ASN 602 -2.235 8.523 -15.350 972 HD22 ASN 602 2HD2 ASN 602 -2.105 6.831 -15.024 973 H GLU 603 H GLU 603 -4.801 11.012 -11.228 974 HA GLU 603 HA GLU 603 -4.024 13.639 -11.911 975 HB2 GLU 603 2HB GLU 603 -6.274 12.532 -10.235 976 HB3 GLU 603 1HB GLU 603 -6.077 14.260 -10.504 977 HG2 GLU 603 2HG GLU 603 -6.239 12.332 -12.794 978 HG3 GLU 603 1HG GLU 603 -7.687 12.968 -12.017 979 H VAL 604 H VAL 604 -4.434 12.146 -8.667 980 HA VAL 604 HA VAL 604 -3.445 14.417 -7.327 981 HB VAL 604 HB VAL 604 -4.879 12.508 -6.383 982 HG11 VAL 604 1HG1 VAL 604 -2.327 11.336 -5.384 983 HG12 VAL 604 2HG1 VAL 604 -2.913 10.845 -6.974 984 HG13 VAL 604 3HG1 VAL 604 -3.922 10.603 -5.550 985 HG21 VAL 604 3HG2 VAL 604 -4.068 12.990 -4.125 986 HG22 VAL 604 1HG2 VAL 604 -4.151 14.439 -5.117 987 HG23 VAL 604 2HG2 VAL 604 -2.596 13.671 -4.801 988 H LYS 605 H LYS 605 -1.851 11.702 -8.764 989 HA LYS 605 HA LYS 605 0.631 12.007 -7.369 990 HB2 LYS 605 2HB LYS 605 -0.029 9.860 -8.347 991 HB3 LYS 605 1HB LYS 605 -0.023 10.578 -9.953 992 HG2 LYS 605 2HG LYS 605 2.492 11.125 -9.206 993 HG3 LYS 605 1HG LYS 605 2.219 9.669 -8.255 994 HD2 LYS 605 2HD LYS 605 1.751 9.883 -11.232 995 HD3 LYS 605 1HD LYS 605 3.214 9.242 -10.496 996 HE2 LYS 605 2HE LYS 605 2.106 7.285 -10.807 997 HE3 LYS 605 1HE LYS 605 1.444 7.708 -9.229 998 HZ1 LYS 605 3HZ LYS 605 -0.218 7.014 -10.931 999 HZ2 LYS 605 1HZ LYS 605 0.141 8.425 -11.791 1000 HZ3 LYS 605 2HZ LYS 605 -0.520 8.527 -10.239 1001 H ARG 606 H ARG 606 -0.475 12.773 -10.654 1002 HA ARG 606 HA ARG 606 1.872 14.078 -11.495 1003 HB2 ARG 606 2HB ARG 606 -0.086 13.355 -12.944 1004 HB3 ARG 606 1HB ARG 606 -0.929 14.791 -12.376 1005 HG2 ARG 606 2HG ARG 606 1.091 16.100 -13.238 1006 HG3 ARG 606 1HG ARG 606 1.537 14.616 -14.079 1007 HD2 ARG 606 2HD ARG 606 0.083 15.064 -15.715 1008 HD3 ARG 606 1HD ARG 606 -1.240 15.188 -14.561 1009 HE ARG 606 HE ARG 606 -1.133 17.454 -14.770 1010 HH11 ARG 606 1HH1 ARG 606 1.937 16.127 -15.772 1011 HH12 ARG 606 2HH1 ARG 606 2.543 17.642 -16.350 1012 HH21 ARG 606 1HH2 ARG 606 -0.339 19.444 -15.535 1013 HH22 ARG 606 2HH2 ARG 606 1.251 19.524 -16.216 1014 H GLN 607 H GLN 607 -0.697 15.045 -9.392 1015 HA GLN 607 HA GLN 607 -0.217 17.866 -9.599 1016 HB2 GLN 607 2HB GLN 607 -1.958 16.112 -7.933 1017 HB3 GLN 607 1HB GLN 607 -1.656 17.753 -7.376 1018 HG2 GLN 607 2HG GLN 607 -2.490 18.618 -9.512 1019 HG3 GLN 607 1HG GLN 607 -2.827 16.971 -10.038 1020 HE21 GLN 607 1HE2 GLN 607 -4.392 15.746 -8.794 1021 HE22 GLN 607 2HE2 GLN 607 -5.690 16.578 -8.012 1022 H ALA 608 H ALA 608 0.528 15.458 -6.983 1023 HA ALA 608 HA ALA 608 1.607 17.122 -5.118 1024 HB1 ALA 608 1HB ALA 608 1.295 14.644 -4.948 1025 HB2 ALA 608 2HB ALA 608 2.799 15.253 -4.260 1026 HB3 ALA 608 3HB ALA 608 2.807 14.459 -5.830 1027 H MET 609 H MET 609 3.019 16.197 -8.146 1028 HA MET 609 HA MET 609 5.698 16.955 -7.548 1029 HB2 MET 609 2HB MET 609 4.187 16.510 -10.099 1030 HB3 MET 609 1HB MET 609 5.764 17.281 -10.167 1031 HG2 MET 609 2HG MET 609 6.380 15.115 -10.466 1032 HG3 MET 609 1HG MET 609 6.486 15.210 -8.712 1033 HE1 MET 609 3HE MET 609 4.652 14.552 -7.135 1034 HE2 MET 609 1HE MET 609 5.516 13.037 -7.377 1035 HE3 MET 609 2HE MET 609 3.754 13.054 -7.373 1036 H THR 610 H THR 610 2.876 18.741 -8.611 1037 HA THR 610 HA THR 610 4.218 21.130 -9.348 1038 HB THR 610 HB THR 610 1.429 21.025 -8.202 1039 HG1 THR 610 1HG THR 610 1.283 19.426 -9.646 1040 HG21 THR 610 3HG2 THR 610 0.971 22.652 -10.011 1041 HG22 THR 610 1HG2 THR 610 2.697 22.671 -10.371 1042 HG23 THR 610 2HG2 THR 610 2.118 23.227 -8.800 1043 H GLU 611 H GLU 611 2.864 19.884 -6.357 1044 HA GLU 611 HA GLU 611 3.224 22.186 -4.768 1045 HB2 GLU 611 2HB GLU 611 1.860 20.123 -4.221 1046 HB3 GLU 611 1HB GLU 611 3.372 19.330 -3.803 1047 HG2 GLU 611 2HG GLU 611 2.298 20.140 -1.812 1048 HG3 GLU 611 1HG GLU 611 3.780 21.052 -2.096 1049 H LEU 612 H LEU 612 5.379 19.765 -5.899 1050 HA LEU 612 HA LEU 612 7.522 20.485 -4.067 1051 HB2 LEU 612 2HB LEU 612 6.884 18.172 -5.525 1052 HB3 LEU 612 1HB LEU 612 8.334 18.793 -6.281 1053 HG LEU 612 HG LEU 612 9.012 18.928 -3.626 1054 HD11 LEU 612 1HD1 LEU 612 7.013 17.803 -2.880 1055 HD12 LEU 612 2HD1 LEU 612 8.410 16.754 -2.642 1056 HD13 LEU 612 3HD1 LEU 612 7.313 16.467 -3.992 1057 HD21 LEU 612 3HD2 LEU 612 10.570 18.093 -5.143 1058 HD22 LEU 612 1HD2 LEU 612 9.483 16.832 -5.721 1059 HD23 LEU 612 2HD2 LEU 612 10.208 16.705 -4.119 1060 H GLN 613 H GLN 613 6.481 21.183 -7.300 1061 HA GLN 613 HA GLN 613 9.017 22.262 -8.157 1062 HB2 GLN 613 2HB GLN 613 7.182 21.195 -9.623 1063 HB3 GLN 613 1HB GLN 613 6.376 22.752 -9.515 1064 HG2 GLN 613 2HG GLN 613 8.164 23.852 -10.617 1065 HG3 GLN 613 1HG GLN 613 9.202 22.433 -10.486 1066 HE21 GLN 613 1HE2 GLN 613 8.111 20.411 -11.490 1067 HE22 GLN 613 2HE2 GLN 613 7.449 20.647 -13.068 1068 H LYS 614 H LYS 614 7.225 23.376 -5.823 1069 HA LYS 614 HA LYS 614 7.821 26.165 -6.445 1070 HB2 LYS 614 2HB LYS 614 5.639 26.965 -5.758 1071 HB3 LYS 614 1HB LYS 614 5.459 25.836 -7.093 1072 HG2 LYS 614 2HG LYS 614 4.831 24.075 -5.504 1073 HG3 LYS 614 1HG LYS 614 4.979 25.231 -4.181 1074 HD2 LYS 614 2HD LYS 614 2.651 24.986 -4.833 1075 HD3 LYS 614 1HD LYS 614 3.223 26.612 -5.202 1076 HE2 LYS 614 2HE LYS 614 3.145 26.271 -7.472 1077 HE3 LYS 614 1HE LYS 614 3.399 24.532 -7.330 1078 HZ1 LYS 614 3HZ LYS 614 1.134 25.154 -8.041 1079 HZ2 LYS 614 1HZ LYS 614 0.892 25.915 -6.548 1080 HZ3 LYS 614 2HZ LYS 614 1.154 24.245 -6.613 1081 H ALA 615 H ALA 615 8.980 24.153 -4.704 1082 HA ALA 615 HA ALA 615 8.205 24.622 -2.009 1083 HB1 ALA 615 1HB ALA 615 9.366 22.597 -2.582 1084 HB2 ALA 615 2HB ALA 615 10.360 23.520 -1.455 1085 HB3 ALA 615 3HB ALA 615 10.755 23.511 -3.173 Start of MODEL 11 1 H1 GLY -7 1HT GLY -7 -22.310 -4.490 1.222 2 H2 GLY -7 2HT GLY -7 -23.265 -4.271 -0.157 3 H3 GLY -7 3HT GLY -7 -23.665 -5.470 0.967 4 HA2 GLY -7 1HA GLY -7 -25.111 -3.513 1.149 5 HA3 GLY -7 2HA GLY -7 -24.219 -3.858 2.622 6 H ALA -6 H ALA -6 -25.376 -1.343 1.364 7 HA ALA -6 HA ALA -6 -24.866 0.872 1.255 8 HB1 ALA -6 1HB ALA -6 -22.414 0.156 2.852 9 HB2 ALA -6 2HB ALA -6 -24.024 0.350 3.547 10 HB3 ALA -6 3HB ALA -6 -23.227 1.719 2.773 11 H MET -5 H MET -5 -24.028 -0.732 -0.924 12 HA MET -5 HA MET -5 -22.273 1.068 -2.225 13 HB2 MET -5 2HB MET -5 -20.385 -0.471 -2.629 14 HB3 MET -5 1HB MET -5 -20.547 -0.041 -0.934 15 HG2 MET -5 2HG MET -5 -20.140 -2.296 -0.807 16 HG3 MET -5 1HG MET -5 -21.900 -2.249 -0.760 17 HE1 MET -5 3HE MET -5 -19.449 -4.743 -3.465 18 HE2 MET -5 1HE MET -5 -19.600 -4.643 -1.711 19 HE3 MET -5 2HE MET -5 -18.738 -3.384 -2.596 20 H GLY -4 H GLY -4 -22.364 0.842 -4.426 21 HA2 GLY -4 2HA GLY -4 -24.227 -1.199 -5.418 22 HA3 GLY -4 1HA GLY -4 -23.761 0.274 -6.253 23 H SER -3 H SER -3 -21.068 0.188 -6.293 24 HA SER -3 HA SER -3 -19.243 -0.727 -7.294 25 HB2 SER -3 2HB SER -3 -18.782 -2.975 -7.013 26 HB3 SER -3 1HB SER -3 -20.033 -2.753 -5.792 27 HG SER -3 HG SER -3 -21.496 -3.730 -7.101 28 H MET -2 H MET -2 -22.062 -0.264 -8.676 29 HA MET -2 HA MET -2 -21.118 -0.410 -11.309 30 HB2 MET -2 2HB MET -2 -22.723 -2.192 -12.141 31 HB3 MET -2 1HB MET -2 -21.320 -2.771 -11.255 32 HG2 MET -2 2HG MET -2 -22.649 -3.103 -9.276 33 HG3 MET -2 1HG MET -2 -24.058 -2.396 -10.067 34 HE1 MET -2 3HE MET -2 -25.807 -5.553 -10.783 35 HE2 MET -2 1HE MET -2 -25.851 -3.800 -10.598 36 HE3 MET -2 2HE MET -2 -25.371 -4.818 -9.240 37 H SER -1 H SER -1 -22.245 1.632 -10.040 38 HA SER -1 HA SER -1 -24.418 2.348 -11.691 39 HB2 SER -1 2HB SER -1 -26.135 2.617 -9.857 40 HB3 SER -1 1HB SER -1 -25.793 0.947 -10.309 41 HG SER -1 HG SER -1 -24.759 2.348 -8.067 42 H HIS 2 H HIS 2 -22.861 2.899 -8.565 43 HA HIS 2 HA HIS 2 -22.673 5.772 -9.202 44 HB2 HIS 2 2HB HIS 2 -24.449 5.407 -7.513 45 HB3 HIS 2 1HB HIS 2 -23.281 4.595 -6.477 46 HD1 HIS 2 1HD HIS 2 -24.689 7.857 -7.186 47 HD2 HIS 2 2HD HIS 2 -21.125 6.409 -5.615 48 HE1 HIS 2 1HE HIS 2 -23.641 9.805 -5.990 49 HE2 HIS 2 2HE HIS 2 -21.530 8.881 -4.973 50 H ILE 3 H ILE 3 -20.569 5.737 -9.788 51 HA ILE 3 HA ILE 3 -18.608 5.141 -7.682 52 HB ILE 3 HB ILE 3 -18.104 4.423 -10.569 53 HG12 ILE 3 2HG1 ILE 3 -18.759 2.473 -8.356 54 HG13 ILE 3 1HG1 ILE 3 -19.952 3.037 -9.520 55 HG21 ILE 3 1HG2 ILE 3 -16.207 3.205 -9.664 56 HG22 ILE 3 2HG2 ILE 3 -16.671 3.669 -8.027 57 HG23 ILE 3 3HG2 ILE 3 -16.146 4.897 -9.175 58 HD11 ILE 3 3HD1 ILE 3 -19.157 1.753 -11.158 59 HD12 ILE 3 1HD1 ILE 3 -18.483 0.819 -9.824 60 HD13 ILE 3 2HD1 ILE 3 -17.477 1.988 -10.681 61 H GLN 4 H GLN 4 -18.783 7.440 -7.459 62 HA GLN 4 HA GLN 4 -17.432 8.994 -9.571 63 HB2 GLN 4 2HB GLN 4 -18.428 10.986 -8.368 64 HB3 GLN 4 1HB GLN 4 -19.572 9.921 -9.173 65 HG2 GLN 4 2HG GLN 4 -20.248 8.952 -7.115 66 HG3 GLN 4 1HG GLN 4 -18.941 9.748 -6.240 67 HE21 GLN 4 1HE2 GLN 4 -19.087 11.958 -5.810 68 HE22 GLN 4 2HE2 GLN 4 -20.591 12.805 -5.890 69 H ILE 5 H ILE 5 -15.463 9.863 -9.189 70 HA ILE 5 HA ILE 5 -13.847 9.174 -7.085 71 HB ILE 5 HB ILE 5 -13.709 11.766 -8.625 72 HG12 ILE 5 2HG1 ILE 5 -13.596 9.979 -10.198 73 HG13 ILE 5 1HG1 ILE 5 -11.936 10.488 -9.926 74 HG21 ILE 5 1HG2 ILE 5 -11.714 10.374 -6.856 75 HG22 ILE 5 2HG2 ILE 5 -12.336 12.019 -6.719 76 HG23 ILE 5 3HG2 ILE 5 -11.252 11.595 -8.043 77 HD11 ILE 5 3HD1 ILE 5 -11.799 8.183 -9.913 78 HD12 ILE 5 1HD1 ILE 5 -13.310 7.996 -9.029 79 HD13 ILE 5 2HD1 ILE 5 -11.868 8.580 -8.198 80 HA PRO 6 HA PRO 6 -16.160 11.298 -3.779 81 HB2 PRO 6 2HB PRO 6 -13.834 10.204 -2.255 82 HB3 PRO 6 1HB PRO 6 -15.560 10.150 -1.873 83 HG2 PRO 6 2HG PRO 6 -14.331 7.990 -2.791 84 HG3 PRO 6 1HG PRO 6 -15.964 8.401 -3.352 85 HD2 PRO 6 2HD PRO 6 -13.336 8.752 -4.739 86 HD3 PRO 6 1HD PRO 6 -14.905 8.257 -5.403 87 HA PRO 7 HA PRO 7 -13.650 15.071 -4.225 88 HB2 PRO 7 2HB PRO 7 -15.532 15.839 -2.020 89 HB3 PRO 7 1HB PRO 7 -15.049 16.753 -3.455 90 HG2 PRO 7 2HG PRO 7 -17.418 15.554 -3.358 91 HG3 PRO 7 1HG PRO 7 -16.467 15.562 -4.855 92 HD2 PRO 7 2HD PRO 7 -16.933 13.344 -2.916 93 HD3 PRO 7 1HD PRO 7 -16.707 13.281 -4.676 94 H GLY 8 H GLY 8 -11.935 15.922 -3.026 95 HA2 GLY 8 2HA GLY 8 -10.625 16.303 -1.132 96 HA3 GLY 8 1HA GLY 8 -11.710 15.291 -0.195 97 H LEU 9 H LEU 9 -11.434 13.134 -2.325 98 HA LEU 9 HA LEU 9 -9.542 11.549 -1.078 99 HB2 LEU 9 2HB LEU 9 -11.365 10.875 -2.709 100 HB3 LEU 9 1HB LEU 9 -10.258 11.310 -3.995 101 HG LEU 9 HG LEU 9 -9.427 9.326 -1.899 102 HD11 LEU 9 1HD1 LEU 9 -11.013 8.680 -4.380 103 HD12 LEU 9 2HD1 LEU 9 -11.592 8.549 -2.719 104 HD13 LEU 9 3HD1 LEU 9 -10.280 7.513 -3.280 105 HD21 LEU 9 3HD2 LEU 9 -8.658 9.861 -4.762 106 HD22 LEU 9 1HD2 LEU 9 -8.148 8.425 -3.874 107 HD23 LEU 9 2HD2 LEU 9 -7.660 10.022 -3.318 108 H THR 10 H THR 10 -9.155 13.326 -4.144 109 HA THR 10 HA THR 10 -6.516 12.666 -4.643 110 HB THR 10 HB THR 10 -6.630 15.216 -5.615 111 HG1 THR 10 1HG THR 10 -8.624 15.719 -4.833 112 HG21 THR 10 3HG2 THR 10 -6.267 13.500 -7.152 113 HG22 THR 10 1HG2 THR 10 -7.802 14.219 -7.639 114 HG23 THR 10 2HG2 THR 10 -7.784 12.696 -6.751 115 H GLU 11 H GLU 11 -7.818 15.229 -2.594 116 HA GLU 11 HA GLU 11 -5.367 16.499 -2.031 117 HB2 GLU 11 2HB GLU 11 -7.654 17.451 -1.636 118 HB3 GLU 11 1HB GLU 11 -7.797 16.388 -0.243 119 HG2 GLU 11 2HG GLU 11 -5.750 17.469 0.691 120 HG3 GLU 11 1HG GLU 11 -5.830 18.627 -0.636 121 H LEU 12 H LEU 12 -6.996 13.750 -0.535 122 HA LEU 12 HA LEU 12 -5.332 13.647 1.766 123 HB2 LEU 12 2HB LEU 12 -7.372 11.902 0.522 124 HB3 LEU 12 1HB LEU 12 -6.197 11.091 1.537 125 HG LEU 12 HG LEU 12 -8.249 11.667 2.757 126 HD11 LEU 12 1HD1 LEU 12 -6.068 13.394 3.868 127 HD12 LEU 12 2HD1 LEU 12 -5.890 11.641 3.790 128 HD13 LEU 12 3HD1 LEU 12 -7.212 12.354 4.713 129 HD21 LEU 12 3HD2 LEU 12 -8.959 13.649 1.636 130 HD22 LEU 12 1HD2 LEU 12 -7.477 14.497 2.073 131 HD23 LEU 12 2HD2 LEU 12 -8.646 14.067 3.320 132 H LEU 13 H LEU 13 -5.250 11.964 -1.356 133 HA LEU 13 HA LEU 13 -2.983 10.373 -0.705 134 HB2 LEU 13 2HB LEU 13 -4.483 11.039 -3.204 135 HB3 LEU 13 1HB LEU 13 -2.922 10.252 -3.338 136 HG LEU 13 HG LEU 13 -3.708 8.320 -2.174 137 HD11 LEU 13 1HD1 LEU 13 -6.103 8.222 -1.392 138 HD12 LEU 13 2HD1 LEU 13 -6.147 9.976 -1.573 139 HD13 LEU 13 3HD1 LEU 13 -5.024 9.234 -0.434 140 HD21 LEU 13 3HD2 LEU 13 -4.277 8.265 -4.479 141 HD22 LEU 13 1HD2 LEU 13 -5.665 9.325 -4.235 142 HD23 LEU 13 2HD2 LEU 13 -5.687 7.680 -3.598 143 H GLN 14 H GLN 14 -3.426 13.596 -1.923 144 HA GLN 14 HA GLN 14 -0.885 13.964 -3.091 145 HB2 GLN 14 2HB GLN 14 -3.153 15.460 -2.993 146 HB3 GLN 14 1HB GLN 14 -2.145 16.343 -1.859 147 HG2 GLN 14 2HG GLN 14 -0.438 16.624 -3.550 148 HG3 GLN 14 1HG GLN 14 -1.376 15.652 -4.686 149 HE21 GLN 14 1HE2 GLN 14 -0.867 18.747 -3.354 150 HE22 GLN 14 2HE2 GLN 14 -2.118 19.577 -4.207 151 H GLY 15 H GLY 15 -2.084 14.598 0.186 152 HA2 GLY 15 2HA GLY 15 0.151 15.885 1.234 153 HA3 GLY 15 1HA GLY 15 -0.938 14.865 2.165 154 H TYR 16 H TYR 16 -0.522 12.411 1.026 155 HA TYR 16 HA TYR 16 1.911 11.609 2.260 156 HB2 TYR 16 2HB TYR 16 0.057 10.078 2.238 157 HB3 TYR 16 1HB TYR 16 -0.044 10.140 0.483 158 HD1 TYR 16 1HD TYR 16 1.770 8.744 3.347 159 HD2 TYR 16 2HD TYR 16 1.523 8.892 -0.898 160 HE1 TYR 16 1HE TYR 16 3.252 6.783 3.199 161 HE2 TYR 16 2HE TYR 16 2.997 6.932 -1.057 162 HH TYR 16 HH TYR 16 3.577 4.868 1.315 163 H THR 17 H THR 17 0.867 11.872 -1.113 164 HA THR 17 HA THR 17 3.127 10.874 -2.364 165 HB THR 17 HB THR 17 1.375 13.100 -3.397 166 HG1 THR 17 1HG THR 17 0.122 11.379 -4.244 167 HG21 THR 17 3HG2 THR 17 3.391 12.564 -4.764 168 HG22 THR 17 1HG2 THR 17 1.851 12.298 -5.579 169 HG23 THR 17 2HG2 THR 17 2.756 10.927 -4.943 170 H VAL 18 H VAL 18 2.398 14.358 -1.911 171 HA VAL 18 HA VAL 18 4.800 15.351 -2.878 172 HB VAL 18 HB VAL 18 4.400 17.375 -1.557 173 HG11 VAL 18 1HG1 VAL 18 2.134 17.891 -2.436 174 HG12 VAL 18 2HG1 VAL 18 1.966 16.192 -2.877 175 HG13 VAL 18 3HG1 VAL 18 3.226 17.178 -3.625 176 HG21 VAL 18 3HG2 VAL 18 2.258 17.398 -0.154 177 HG22 VAL 18 1HG2 VAL 18 3.679 16.614 0.540 178 HG23 VAL 18 2HG2 VAL 18 2.388 15.640 -0.156 179 H GLU 19 H GLU 19 4.026 14.093 0.304 180 HA GLU 19 HA GLU 19 6.401 15.005 1.574 181 HB2 GLU 19 2HB GLU 19 4.144 14.228 2.604 182 HB3 GLU 19 1HB GLU 19 4.834 12.617 2.501 183 HG2 GLU 19 2HG GLU 19 5.282 13.368 4.672 184 HG3 GLU 19 1HG GLU 19 6.803 13.522 3.796 185 H VAL 20 H VAL 20 5.548 12.144 -0.251 186 HA VAL 20 HA VAL 20 7.823 10.595 0.508 187 HB VAL 20 HB VAL 20 5.821 10.384 -1.731 188 HG11 VAL 20 1HG1 VAL 20 7.009 8.055 -2.058 189 HG12 VAL 20 2HG1 VAL 20 8.415 8.931 -1.463 190 HG13 VAL 20 3HG1 VAL 20 7.580 9.487 -2.911 191 HG21 VAL 20 3HG2 VAL 20 6.474 8.470 0.503 192 HG22 VAL 20 1HG2 VAL 20 5.087 8.422 -0.584 193 HG23 VAL 20 2HG2 VAL 20 5.232 9.716 0.603 194 H LEU 21 H LEU 21 7.106 12.828 -2.127 195 HA LEU 21 HA LEU 21 9.526 12.329 -3.560 196 HB2 LEU 21 2HB LEU 21 7.677 14.707 -3.688 197 HB3 LEU 21 1HB LEU 21 8.909 14.298 -4.868 198 HG LEU 21 HG LEU 21 6.555 12.515 -4.251 199 HD11 LEU 21 1HD1 LEU 21 5.562 13.361 -6.323 200 HD12 LEU 21 2HD1 LEU 21 6.866 14.540 -6.463 201 HD13 LEU 21 3HD1 LEU 21 5.734 14.634 -5.114 202 HD21 LEU 21 3HD2 LEU 21 7.157 11.598 -6.513 203 HD22 LEU 21 1HD2 LEU 21 8.330 11.281 -5.235 204 HD23 LEU 21 2HD2 LEU 21 8.641 12.548 -6.422 205 H ARG 22 H ARG 22 8.571 14.500 -0.989 206 HA ARG 22 HA ARG 22 10.944 16.133 -1.224 207 HB2 ARG 22 2HB ARG 22 8.742 16.071 0.839 208 HB3 ARG 22 1HB ARG 22 10.037 17.258 0.799 209 HG2 ARG 22 2HG ARG 22 8.313 16.891 -1.615 210 HG3 ARG 22 1HG ARG 22 7.694 17.798 -0.236 211 HD2 ARG 22 2HD ARG 22 8.645 19.418 -1.626 212 HD3 ARG 22 1HD ARG 22 9.857 19.150 -0.377 213 HE ARG 22 HE ARG 22 10.284 17.505 -2.670 214 HH11 ARG 22 1HH1 ARG 22 10.747 20.734 -1.418 215 HH12 ARG 22 2HH1 ARG 22 12.116 21.059 -2.427 216 HH21 ARG 22 1HH2 ARG 22 12.082 17.939 -3.997 217 HH22 ARG 22 2HH2 ARG 22 12.873 19.476 -3.890 218 H GLN 23 H GLN 23 9.955 13.334 0.619 219 HA GLN 23 HA GLN 23 12.390 13.585 2.275 220 HB2 GLN 23 2HB GLN 23 10.175 13.495 3.461 221 HB3 GLN 23 1HB GLN 23 9.988 11.855 2.855 222 HG2 GLN 23 2HG GLN 23 11.769 11.051 4.139 223 HG3 GLN 23 1HG GLN 23 12.398 12.669 4.441 224 HE21 GLN 23 1HE2 GLN 23 10.862 14.118 5.659 225 HE22 GLN 23 2HE2 GLN 23 10.014 13.409 6.986 226 H GLN 24 H GLN 24 10.451 11.262 0.417 227 HA GLN 24 HA GLN 24 11.021 9.338 -0.656 228 HB2 GLN 24 2HB GLN 24 13.915 10.107 -0.289 229 HB3 GLN 24 1HB GLN 24 13.218 9.089 -1.540 230 HG2 GLN 24 2HG GLN 24 12.505 11.992 -1.274 231 HG3 GLN 24 1HG GLN 24 13.909 11.447 -2.187 232 HE21 GLN 24 1HE2 GLN 24 12.427 12.729 -3.748 233 HE22 GLN 24 2HE2 GLN 24 11.369 11.759 -4.709 234 HA PRO 25 HA PRO 25 12.041 7.394 3.431 235 HB2 PRO 25 2HB PRO 25 9.760 6.004 3.762 236 HB3 PRO 25 1HB PRO 25 9.876 7.719 4.174 237 HG2 PRO 25 2HG PRO 25 8.742 6.440 1.714 238 HG3 PRO 25 1HG PRO 25 8.083 7.766 2.687 239 HD2 PRO 25 2HD PRO 25 9.453 8.149 0.361 240 HD3 PRO 25 1HD PRO 25 9.424 9.338 1.676 241 HA PRO 26 HA PRO 26 13.333 3.510 1.781 242 HB2 PRO 26 2HB PRO 26 12.659 2.076 4.256 243 HB3 PRO 26 1HB PRO 26 14.245 2.429 3.566 244 HG2 PRO 26 2HG PRO 26 13.351 3.635 5.807 245 HG3 PRO 26 1HG PRO 26 14.413 4.456 4.647 246 HD2 PRO 26 2HD PRO 26 11.443 4.692 4.994 247 HD3 PRO 26 1HD PRO 26 12.652 5.962 4.714 248 H ASP 27 H ASP 27 10.252 3.407 3.531 249 HA ASP 27 HA ASP 27 9.256 1.484 1.537 250 HB2 ASP 27 2HB ASP 27 8.851 1.361 4.529 251 HB3 ASP 27 1HB ASP 27 7.925 0.410 3.373 252 H LEU 28 H LEU 28 7.150 1.697 0.942 253 HA LEU 28 HA LEU 28 5.977 4.301 1.383 254 HB2 LEU 28 2HB LEU 28 4.990 1.960 -0.257 255 HB3 LEU 28 1HB LEU 28 4.298 3.568 -0.265 256 HG LEU 28 HG LEU 28 5.606 3.372 -2.232 257 HD11 LEU 28 1HD1 LEU 28 7.074 5.199 -2.050 258 HD12 LEU 28 2HD1 LEU 28 7.398 4.876 -0.347 259 HD13 LEU 28 3HD1 LEU 28 5.817 5.480 -0.845 260 HD21 LEU 28 3HD2 LEU 28 7.743 2.499 -2.414 261 HD22 LEU 28 1HD2 LEU 28 7.003 1.443 -1.213 262 HD23 LEU 28 2HD2 LEU 28 8.100 2.726 -0.703 263 H VAL 29 H VAL 29 5.047 0.912 1.927 264 HA VAL 29 HA VAL 29 2.561 1.386 3.105 265 HB VAL 29 HB VAL 29 3.304 -0.851 2.391 266 HG11 VAL 29 1HG1 VAL 29 4.953 -0.982 4.904 267 HG12 VAL 29 2HG1 VAL 29 5.639 -0.590 3.327 268 HG13 VAL 29 3HG1 VAL 29 4.868 -2.153 3.590 269 HG21 VAL 29 3HG2 VAL 29 2.363 -2.112 4.274 270 HG22 VAL 29 1HG2 VAL 29 1.427 -0.658 3.926 271 HG23 VAL 29 2HG2 VAL 29 2.528 -0.690 5.303 272 H GLU 30 H GLU 30 5.776 1.116 4.591 273 HA GLU 30 HA GLU 30 4.911 1.383 7.258 274 HB2 GLU 30 2HB GLU 30 7.190 0.602 6.410 275 HB3 GLU 30 1HB GLU 30 7.587 2.304 6.218 276 HG2 GLU 30 2HG GLU 30 7.060 2.612 8.642 277 HG3 GLU 30 1HG GLU 30 6.914 0.859 8.766 278 H PHE 31 H PHE 31 6.138 3.760 4.931 279 HA PHE 31 HA PHE 31 5.945 5.986 6.641 280 HB2 PHE 31 2HB PHE 31 7.256 5.822 4.491 281 HB3 PHE 31 1HB PHE 31 5.732 6.056 3.638 282 HD1 PHE 31 2HD PHE 31 7.936 7.603 6.195 283 HD2 PHE 31 1HD PHE 31 4.951 8.200 3.231 284 HE1 PHE 31 2HE PHE 31 8.193 10.038 6.437 285 HE2 PHE 31 1HE PHE 31 5.199 10.635 3.464 286 HZ PHE 31 HZ PHE 31 6.823 11.559 5.069 287 H ALA 32 H ALA 32 3.574 4.376 4.654 288 HA ALA 32 HA ALA 32 1.673 6.474 4.566 289 HB1 ALA 32 1HB ALA 32 0.072 4.699 3.966 290 HB2 ALA 32 2HB ALA 32 1.308 3.496 4.339 291 HB3 ALA 32 3HB ALA 32 1.561 4.643 3.020 292 H VAL 33 H VAL 33 2.133 3.766 6.804 293 HA VAL 33 HA VAL 33 -0.122 4.331 8.444 294 HB VAL 33 HB VAL 33 2.487 2.960 9.143 295 HG11 VAL 33 1HG1 VAL 33 -0.163 2.736 10.556 296 HG12 VAL 33 2HG1 VAL 33 1.166 3.758 11.104 297 HG13 VAL 33 3HG1 VAL 33 1.372 2.011 11.030 298 HG21 VAL 33 3HG2 VAL 33 -0.151 1.836 8.212 299 HG22 VAL 33 1HG2 VAL 33 1.226 0.884 8.769 300 HG23 VAL 33 2HG2 VAL 33 1.363 1.858 7.309 301 H GLU 34 H GLU 34 3.367 4.938 8.961 302 HA GLU 34 HA GLU 34 3.222 6.506 11.205 303 HB2 GLU 34 2HB GLU 34 5.077 6.795 8.836 304 HB3 GLU 34 1HB GLU 34 5.312 7.622 10.369 305 HG2 GLU 34 2HG GLU 34 5.065 4.641 10.261 306 HG3 GLU 34 1HG GLU 34 6.597 5.436 9.913 307 H TYR 35 H TYR 35 2.526 7.406 7.891 308 HA TYR 35 HA TYR 35 2.279 10.218 8.439 309 HB2 TYR 35 2HB TYR 35 2.933 9.326 6.214 310 HB3 TYR 35 1HB TYR 35 1.315 8.655 6.036 311 HD1 TYR 35 2HD TYR 35 -0.659 10.274 6.055 312 HD2 TYR 35 1HD TYR 35 3.374 11.552 5.590 313 HE1 TYR 35 2HE TYR 35 -1.446 12.397 5.099 314 HE2 TYR 35 1HE TYR 35 2.596 13.679 4.632 315 HH TYR 35 HH TYR 35 0.786 14.757 3.754 316 H PHE 36 H PHE 36 -0.088 7.648 7.612 317 HA PHE 36 HA PHE 36 -2.333 9.319 8.013 318 HB2 PHE 36 2HB PHE 36 -1.919 6.377 7.671 319 HB3 PHE 36 1HB PHE 36 -3.487 6.952 8.227 320 HD1 PHE 36 1HD PHE 36 -4.457 8.976 6.826 321 HD2 PHE 36 2HD PHE 36 -1.615 6.155 5.381 322 HE1 PHE 36 1HE PHE 36 -5.113 9.503 4.515 323 HE2 PHE 36 2HE PHE 36 -2.266 6.680 3.068 324 HZ PHE 36 HZ PHE 36 -4.018 8.357 2.632 325 H THR 37 H THR 37 -0.865 6.830 10.134 326 HA THR 37 HA THR 37 -2.673 6.974 12.228 327 HB THR 37 HB THR 37 -0.724 6.352 13.717 328 HG1 THR 37 1HG THR 37 0.641 6.899 11.341 329 HG21 THR 37 3HG2 THR 37 -0.971 4.731 11.206 330 HG22 THR 37 1HG2 THR 37 -2.052 4.642 12.595 331 HG23 THR 37 2HG2 THR 37 -0.360 4.178 12.766 332 H ARG 38 H ARG 38 0.346 8.833 11.887 333 HA ARG 38 HA ARG 38 0.059 10.419 14.149 334 HB2 ARG 38 2HB ARG 38 2.110 10.201 12.742 335 HB3 ARG 38 1HB ARG 38 1.349 11.224 11.534 336 HG2 ARG 38 2HG ARG 38 1.612 12.209 14.344 337 HG3 ARG 38 1HG ARG 38 3.017 12.227 13.281 338 HD2 ARG 38 2HD ARG 38 0.723 13.318 11.909 339 HD3 ARG 38 1HD ARG 38 0.960 14.139 13.449 340 HE ARG 38 HE ARG 38 3.407 13.897 12.028 341 HH11 ARG 38 1HH1 ARG 38 0.430 15.718 12.118 342 HH12 ARG 38 2HH1 ARG 38 1.132 17.136 11.417 343 HH21 ARG 38 1HH2 ARG 38 4.329 15.761 11.106 344 HH22 ARG 38 2HH2 ARG 38 3.344 17.161 10.842 345 H LEU 39 H LEU 39 -1.324 10.747 10.942 346 HA LEU 39 HA LEU 39 -2.225 13.395 11.126 347 HB2 LEU 39 2HB LEU 39 -2.230 11.677 9.137 348 HB3 LEU 39 1HB LEU 39 -3.847 11.312 9.709 349 HG LEU 39 HG LEU 39 -2.916 14.070 8.907 350 HD11 LEU 39 1HD1 LEU 39 -2.886 12.647 6.965 351 HD12 LEU 39 2HD1 LEU 39 -4.297 13.702 6.888 352 HD13 LEU 39 3HD1 LEU 39 -4.482 12.013 7.360 353 HD21 LEU 39 3HD2 LEU 39 -5.598 12.924 9.652 354 HD22 LEU 39 1HD2 LEU 39 -5.403 14.466 8.817 355 HD23 LEU 39 2HD2 LEU 39 -4.726 14.245 10.430 356 H ARG 40 H ARG 40 -4.035 10.370 11.763 357 HA ARG 40 HA ARG 40 -6.336 11.567 12.768 358 HB2 ARG 40 2HB ARG 40 -5.703 9.076 12.157 359 HB3 ARG 40 1HB ARG 40 -5.423 8.973 13.889 360 HG2 ARG 40 2HG ARG 40 -7.652 9.340 14.404 361 HG3 ARG 40 1HG ARG 40 -7.997 10.087 12.843 362 HD2 ARG 40 2HD ARG 40 -8.868 7.736 13.223 363 HD3 ARG 40 1HD ARG 40 -7.973 8.039 11.731 364 HE ARG 40 HE ARG 40 -6.009 7.163 13.145 365 HH11 ARG 40 1HH1 ARG 40 -9.280 5.910 13.206 366 HH12 ARG 40 2HH1 ARG 40 -8.789 4.329 13.709 367 HH21 ARG 40 1HH2 ARG 40 -5.381 5.076 13.797 368 HH22 ARG 40 2HH2 ARG 40 -6.586 3.855 14.041 369 H GLU 41 H GLU 41 -3.434 10.425 14.425 370 HA GLU 41 HA GLU 41 -4.314 10.991 17.044 371 HB2 GLU 41 2HB GLU 41 -1.506 10.763 15.953 372 HB3 GLU 41 1HB GLU 41 -1.931 10.754 17.660 373 HG2 GLU 41 2HG GLU 41 -3.035 8.737 15.725 374 HG3 GLU 41 1HG GLU 41 -1.493 8.508 16.550 375 H ALA 42 H ALA 42 -2.869 12.969 14.572 376 HA ALA 42 HA ALA 42 -1.936 15.060 16.236 377 HB1 ALA 42 1HB ALA 42 -1.158 14.817 13.951 378 HB2 ALA 42 2HB ALA 42 -1.886 16.405 14.182 379 HB3 ALA 42 3HB ALA 42 -2.779 15.138 13.341 380 H ARG 43 H ARG 43 -5.008 14.492 14.582 381 HA ARG 43 HA ARG 43 -6.126 16.948 15.700 382 HB2 ARG 43 2HB ARG 43 -8.002 16.596 14.244 383 HB3 ARG 43 1HB ARG 43 -6.531 16.353 13.316 384 HG2 ARG 43 2HG ARG 43 -7.769 14.578 12.589 385 HG3 ARG 43 1HG ARG 43 -6.909 13.832 13.931 386 HD2 ARG 43 2HD ARG 43 -9.248 14.927 15.052 387 HD3 ARG 43 1HD ARG 43 -9.750 14.185 13.536 388 HE ARG 43 HE ARG 43 -8.069 12.446 15.030 389 HH11 ARG 43 1HH1 ARG 43 -11.328 13.691 14.887 390 HH12 ARG 43 2HH1 ARG 43 -12.027 12.289 15.625 391 HH21 ARG 43 1HH2 ARG 43 -8.985 10.607 16.000 392 HH22 ARG 43 2HH2 ARG 43 -10.697 10.538 16.258 393 H ALA 44 H ALA 44 -7.798 17.006 17.161 394 HA ALA 44 HA ALA 44 -9.045 16.342 18.945 395 HB1 ALA 44 1HB ALA 44 -9.336 13.750 17.435 396 HB2 ALA 44 2HB ALA 44 -10.292 15.200 17.129 397 HB3 ALA 44 3HB ALA 44 -10.408 14.379 18.686 398 H1 GLY -7 1HT GLY -7 23.629 4.917 -10.035 399 H2 GLY -7 2HT GLY -7 24.150 4.459 -11.577 400 H3 GLY -7 3HT GLY -7 25.177 4.268 -10.247 401 HA2 GLY -7 1HA GLY -7 22.794 2.704 -10.993 402 HA3 GLY -7 2HA GLY -7 24.406 2.128 -10.597 403 H ALA -6 H ALA -6 25.115 2.454 -8.322 404 HA ALA -6 HA ALA -6 22.908 1.786 -6.522 405 HB1 ALA -6 1HB ALA -6 24.764 0.254 -6.524 406 HB2 ALA -6 2HB ALA -6 24.707 1.088 -4.972 407 HB3 ALA -6 3HB ALA -6 25.896 1.564 -6.185 408 H MET -5 H MET -5 23.644 4.586 -7.470 409 HA MET -5 HA MET -5 24.172 5.835 -4.852 410 HB2 MET -5 2HB MET -5 24.677 7.882 -6.190 411 HB3 MET -5 1HB MET -5 25.765 6.537 -6.502 412 HG2 MET -5 2HG MET -5 24.758 6.075 -8.584 413 HG3 MET -5 1HG MET -5 23.387 7.126 -8.236 414 HE1 MET -5 3HE MET -5 27.265 7.164 -8.294 415 HE2 MET -5 1HE MET -5 26.936 8.484 -7.172 416 HE3 MET -5 2HE MET -5 27.637 8.826 -8.754 417 H GLY -4 H GLY -4 21.872 5.549 -7.454 418 HA2 GLY -4 2HA GLY -4 19.767 6.595 -5.832 419 HA3 GLY -4 1HA GLY -4 20.239 7.739 -7.080 420 H SER -3 H SER -3 17.690 6.445 -6.803 421 HA SER -3 HA SER -3 17.447 4.285 -8.624 422 HB2 SER -3 2HB SER -3 15.022 4.747 -8.517 423 HB3 SER -3 1HB SER -3 15.752 4.713 -6.912 424 HG SER -3 HG SER -3 15.772 6.990 -6.948 425 H MET -2 H MET -2 15.769 7.365 -9.120 426 HA MET -2 HA MET -2 16.457 7.214 -11.974 427 HB2 MET -2 2HB MET -2 14.075 7.990 -10.488 428 HB3 MET -2 1HB MET -2 14.548 9.239 -11.630 429 HG2 MET -2 2HG MET -2 14.259 6.360 -12.426 430 HG3 MET -2 1HG MET -2 12.907 7.490 -12.439 431 HE1 MET -2 3HE MET -2 14.918 5.676 -14.562 432 HE2 MET -2 1HE MET -2 16.398 6.571 -14.213 433 HE3 MET -2 2HE MET -2 15.639 6.704 -15.800 434 H SER -1 H SER -1 15.709 9.937 -9.798 435 HA SER -1 HA SER -1 18.288 11.101 -9.984 436 HB2 SER -1 2HB SER -1 17.706 13.052 -11.389 437 HB3 SER -1 1HB SER -1 17.621 11.540 -12.294 438 HG SER -1 HG SER -1 15.800 13.162 -12.428 439 H HIS 2 H HIS 2 15.032 12.564 -10.089 440 HA HIS 2 HA HIS 2 14.708 12.936 -7.352 441 HB2 HIS 2 2HB HIS 2 16.707 14.637 -8.270 442 HB3 HIS 2 1HB HIS 2 15.277 15.657 -8.331 443 HD1 HIS 2 1HD HIS 2 17.613 13.992 -5.971 444 HD2 HIS 2 2HD HIS 2 14.118 16.233 -5.813 445 HE1 HIS 2 1HE HIS 2 17.363 14.677 -3.565 446 HE2 HIS 2 2HE HIS 2 15.191 15.952 -3.476 447 H ILE 3 H ILE 3 12.625 13.458 -7.038 448 HA ILE 3 HA ILE 3 10.475 14.057 -7.448 449 HB ILE 3 HB ILE 3 11.594 15.711 -9.722 450 HG12 ILE 3 2HG1 ILE 3 10.982 16.334 -6.831 451 HG13 ILE 3 1HG1 ILE 3 12.508 16.539 -7.681 452 HG21 ILE 3 1HG2 ILE 3 9.268 15.237 -10.092 453 HG22 ILE 3 2HG2 ILE 3 9.428 16.908 -9.569 454 HG23 ILE 3 3HG2 ILE 3 8.873 15.679 -8.433 455 HD11 ILE 3 3HD1 ILE 3 9.998 18.160 -8.024 456 HD12 ILE 3 1HD1 ILE 3 11.421 18.306 -9.056 457 HD13 ILE 3 2HD1 ILE 3 11.537 18.687 -7.338 458 H GLN 4 H GLN 4 10.037 11.898 -7.971 459 HA GLN 4 HA GLN 4 8.816 11.475 -10.457 460 HB2 GLN 4 2HB GLN 4 11.613 11.049 -10.541 461 HB3 GLN 4 1HB GLN 4 10.888 9.450 -10.517 462 HG2 GLN 4 2HG GLN 4 10.097 11.616 -12.448 463 HG3 GLN 4 1HG GLN 4 11.316 10.388 -12.785 464 HE21 GLN 4 1HE2 GLN 4 7.942 11.052 -12.401 465 HE22 GLN 4 2HE2 GLN 4 7.362 9.529 -12.976 466 H ILE 5 H ILE 5 7.193 10.183 -9.929 467 HA ILE 5 HA ILE 5 6.858 8.847 -7.546 468 HB ILE 5 HB ILE 5 5.599 8.476 -10.243 469 HG12 ILE 5 2HG1 ILE 5 3.584 9.251 -8.941 470 HG13 ILE 5 1HG1 ILE 5 4.642 9.488 -7.558 471 HG21 ILE 5 1HG2 ILE 5 3.900 7.002 -8.986 472 HG22 ILE 5 2HG2 ILE 5 5.206 6.744 -7.830 473 HG23 ILE 5 3HG2 ILE 5 5.415 6.270 -9.514 474 HD11 ILE 5 3HD1 ILE 5 4.096 11.529 -8.943 475 HD12 ILE 5 1HD1 ILE 5 5.124 10.831 -10.196 476 HD13 ILE 5 2HD1 ILE 5 5.805 11.231 -8.619 477 HA PRO 6 HA PRO 6 10.051 5.649 -8.086 478 HB2 PRO 6 2HB PRO 6 8.592 4.633 -5.676 479 HB3 PRO 6 1HB PRO 6 10.332 4.786 -5.955 480 HG2 PRO 6 2HG PRO 6 9.053 6.539 -4.421 481 HG3 PRO 6 1HG PRO 6 10.330 7.069 -5.532 482 HD2 PRO 6 2HD PRO 6 7.369 7.349 -5.777 483 HD3 PRO 6 1HD PRO 6 8.658 8.448 -6.305 484 HA PRO 7 HA PRO 7 7.702 2.271 -9.751 485 HB2 PRO 7 2HB PRO 7 9.497 0.175 -9.011 486 HB3 PRO 7 1HB PRO 7 9.480 1.091 -10.517 487 HG2 PRO 7 2HG PRO 7 11.491 1.194 -8.599 488 HG3 PRO 7 1HG PRO 7 11.212 2.407 -9.859 489 HD2 PRO 7 2HD PRO 7 10.411 2.443 -6.977 490 HD3 PRO 7 1HD PRO 7 10.981 3.769 -8.012 491 H GLY 8 H GLY 8 5.821 1.792 -8.749 492 HA2 GLY 8 2HA GLY 8 4.747 -0.163 -7.675 493 HA3 GLY 8 1HA GLY 8 5.938 -0.010 -6.395 494 H LEU 9 H LEU 9 5.805 2.857 -6.203 495 HA LEU 9 HA LEU 9 3.959 3.219 -4.218 496 HB2 LEU 9 2HB LEU 9 5.853 4.768 -5.141 497 HB3 LEU 9 1HB LEU 9 4.558 5.494 -6.071 498 HG LEU 9 HG LEU 9 4.606 5.283 -3.060 499 HD11 LEU 9 1HD1 LEU 9 5.196 7.603 -4.890 500 HD12 LEU 9 2HD1 LEU 9 6.323 6.793 -3.801 501 HD13 LEU 9 3HD1 LEU 9 4.977 7.723 -3.143 502 HD21 LEU 9 3HD2 LEU 9 2.770 7.053 -3.366 503 HD22 LEU 9 1HD2 LEU 9 2.358 5.367 -3.670 504 HD23 LEU 9 2HD2 LEU 9 2.663 6.457 -5.022 505 H THR 10 H THR 10 3.475 3.999 -7.675 506 HA THR 10 HA THR 10 0.922 5.039 -7.537 507 HB THR 10 HB THR 10 1.890 3.148 -9.692 508 HG1 THR 10 1HG THR 10 2.169 5.960 -9.660 509 HG21 THR 10 3HG2 THR 10 0.389 4.131 -11.163 510 HG22 THR 10 1HG2 THR 10 0.108 5.516 -10.110 511 HG23 THR 10 2HG2 THR 10 -0.557 3.940 -9.688 512 H GLU 11 H GLU 11 1.949 1.672 -7.490 513 HA GLU 11 HA GLU 11 -0.583 0.478 -7.678 514 HB2 GLU 11 2HB GLU 11 1.748 -0.589 -7.883 515 HB3 GLU 11 1HB GLU 11 1.711 -0.705 -6.129 516 HG2 GLU 11 2HG GLU 11 -0.373 -2.016 -6.298 517 HG3 GLU 11 1HG GLU 11 -0.230 -1.964 -8.054 518 H LEU 12 H LEU 12 1.238 1.694 -4.907 519 HA LEU 12 HA LEU 12 -0.443 0.588 -2.914 520 HB2 LEU 12 2HB LEU 12 1.556 2.826 -2.942 521 HB3 LEU 12 1HB LEU 12 0.561 2.553 -1.525 522 HG LEU 12 HG LEU 12 2.761 1.510 -1.299 523 HD11 LEU 12 1HD1 LEU 12 0.824 -0.752 -1.612 524 HD12 LEU 12 2HD1 LEU 12 0.568 0.489 -0.384 525 HD13 LEU 12 3HD1 LEU 12 2.040 -0.480 -0.365 526 HD21 LEU 12 3HD2 LEU 12 1.963 -0.241 -3.619 527 HD22 LEU 12 1HD2 LEU 12 3.464 -0.314 -2.696 528 HD23 LEU 12 2HD2 LEU 12 3.122 1.087 -3.710 529 H LEU 13 H LEU 13 -0.282 3.921 -4.217 530 HA LEU 13 HA LEU 13 -2.547 4.882 -2.853 531 HB2 LEU 13 2HB LEU 13 -1.503 5.732 -5.559 532 HB3 LEU 13 1HB LEU 13 -2.599 6.657 -4.554 533 HG LEU 13 HG LEU 13 0.144 5.925 -3.564 534 HD11 LEU 13 1HD1 LEU 13 0.511 7.013 -5.699 535 HD12 LEU 13 2HD1 LEU 13 0.939 8.108 -4.384 536 HD13 LEU 13 3HD1 LEU 13 -0.584 8.320 -5.248 537 HD21 LEU 13 3HD2 LEU 13 -1.659 6.842 -2.042 538 HD22 LEU 13 1HD2 LEU 13 -1.537 8.344 -2.959 539 HD23 LEU 13 2HD2 LEU 13 -0.140 7.734 -2.074 540 H GLN 14 H GLN 14 -2.126 3.134 -5.832 541 HA GLN 14 HA GLN 14 -4.798 3.399 -6.788 542 HB2 GLN 14 2HB GLN 14 -3.072 2.973 -8.370 543 HB3 GLN 14 1HB GLN 14 -2.504 1.576 -7.474 544 HG2 GLN 14 2HG GLN 14 -5.287 1.466 -8.458 545 HG3 GLN 14 1HG GLN 14 -4.010 1.410 -9.671 546 HE21 GLN 14 1HE2 GLN 14 -5.665 -0.295 -7.207 547 HE22 GLN 14 2HE2 GLN 14 -4.803 -1.787 -7.342 548 H GLY 15 H GLY 15 -3.043 0.819 -5.075 549 HA2 GLY 15 2HA GLY 15 -5.053 -1.111 -5.057 550 HA3 GLY 15 1HA GLY 15 -3.810 -0.951 -3.826 551 H TYR 16 H TYR 16 -4.722 1.777 -3.154 552 HA TYR 16 HA TYR 16 -6.688 1.032 -1.187 553 HB2 TYR 16 2HB TYR 16 -4.845 2.537 -0.622 554 HB3 TYR 16 1HB TYR 16 -5.397 3.692 -1.826 555 HD1 TYR 16 1HD TYR 16 -6.908 1.816 1.045 556 HD2 TYR 16 2HD TYR 16 -6.449 5.550 -0.948 557 HE1 TYR 16 1HE TYR 16 -8.298 2.899 2.763 558 HE2 TYR 16 2HE TYR 16 -7.838 6.640 0.761 559 HH TYR 16 HH TYR 16 -8.646 6.353 2.937 560 H THR 17 H THR 17 -6.572 3.234 -3.971 561 HA THR 17 HA THR 17 -9.081 4.375 -3.757 562 HB THR 17 HB THR 17 -8.926 4.496 -6.343 563 HG1 THR 17 1HG THR 17 -6.919 2.810 -5.841 564 HG21 THR 17 3HG2 THR 17 -6.816 5.999 -6.164 565 HG22 THR 17 1HG2 THR 17 -7.036 5.758 -4.431 566 HG23 THR 17 2HG2 THR 17 -8.328 6.477 -5.394 567 H VAL 18 H VAL 18 -8.262 1.493 -5.732 568 HA VAL 18 HA VAL 18 -10.712 0.935 -6.773 569 HB VAL 18 HB VAL 18 -10.114 -1.402 -6.923 570 HG11 VAL 18 1HG1 VAL 18 -8.984 -0.187 -8.557 571 HG12 VAL 18 2HG1 VAL 18 -7.701 -1.126 -7.797 572 HG13 VAL 18 3HG1 VAL 18 -7.904 0.575 -7.393 573 HG21 VAL 18 3HG2 VAL 18 -8.109 -0.730 -4.790 574 HG22 VAL 18 1HG2 VAL 18 -7.945 -2.157 -5.815 575 HG23 VAL 18 2HG2 VAL 18 -9.359 -1.976 -4.775 576 H GLU 19 H GLU 19 -9.660 0.336 -3.495 577 HA GLU 19 HA GLU 19 -12.027 -1.157 -2.778 578 HB2 GLU 19 2HB GLU 19 -9.748 -0.019 -1.157 579 HB3 GLU 19 1HB GLU 19 -11.114 -0.853 -0.427 580 HG2 GLU 19 2HG GLU 19 -10.480 -2.755 -2.106 581 HG3 GLU 19 1HG GLU 19 -8.918 -1.939 -2.131 582 H VAL 20 H VAL 20 -10.738 2.079 -2.095 583 HA VAL 20 HA VAL 20 -12.776 3.063 -0.493 584 HB VAL 20 HB VAL 20 -11.099 4.547 -2.526 585 HG11 VAL 20 1HG1 VAL 20 -12.936 5.965 -2.074 586 HG12 VAL 20 2HG1 VAL 20 -11.617 6.546 -1.058 587 HG13 VAL 20 3HG1 VAL 20 -12.909 5.574 -0.355 588 HG21 VAL 20 3HG2 VAL 20 -10.085 3.257 -0.458 589 HG22 VAL 20 1HG2 VAL 20 -10.644 4.680 0.419 590 HG23 VAL 20 2HG2 VAL 20 -9.499 4.857 -0.909 591 H LEU 21 H LEU 21 -12.456 3.397 -4.014 592 HA LEU 21 HA LEU 21 -14.815 4.759 -4.511 593 HB2 LEU 21 2HB LEU 21 -13.103 2.923 -6.140 594 HB3 LEU 21 1HB LEU 21 -14.610 3.512 -6.810 595 HG LEU 21 HG LEU 21 -12.480 4.777 -7.412 596 HD11 LEU 21 1HD1 LEU 21 -13.676 7.037 -6.979 597 HD12 LEU 21 2HD1 LEU 21 -14.997 6.026 -6.401 598 HD13 LEU 21 3HD1 LEU 21 -14.406 5.849 -8.053 599 HD21 LEU 21 3HD2 LEU 21 -11.472 4.857 -5.198 600 HD22 LEU 21 1HD2 LEU 21 -12.820 5.823 -4.600 601 HD23 LEU 21 2HD2 LEU 21 -11.738 6.480 -5.824 602 H ARG 22 H ARG 22 -14.284 1.253 -4.366 603 HA ARG 22 HA ARG 22 -17.046 0.689 -5.001 604 HB2 ARG 22 2HB ARG 22 -15.366 -0.747 -5.899 605 HB3 ARG 22 1HB ARG 22 -14.669 -1.022 -4.315 606 HG2 ARG 22 2HG ARG 22 -17.449 -1.837 -4.370 607 HG3 ARG 22 1HG ARG 22 -16.529 -2.618 -5.652 608 HD2 ARG 22 2HD ARG 22 -15.920 -2.629 -2.704 609 HD3 ARG 22 1HD ARG 22 -16.432 -3.999 -3.689 610 HE ARG 22 HE ARG 22 -13.782 -2.968 -3.410 611 HH11 ARG 22 1HH1 ARG 22 -15.930 -4.598 -5.633 612 HH12 ARG 22 2HH1 ARG 22 -14.643 -5.316 -6.540 613 HH21 ARG 22 1HH2 ARG 22 -12.095 -3.920 -4.601 614 HH22 ARG 22 2HH2 ARG 22 -12.468 -4.938 -5.951 615 H GLN 23 H GLN 23 -15.174 1.082 -2.092 616 HA GLN 23 HA GLN 23 -17.189 -0.303 -0.477 617 HB2 GLN 23 2HB GLN 23 -14.545 0.961 0.262 618 HB3 GLN 23 1HB GLN 23 -15.627 0.192 1.411 619 HG2 GLN 23 2HG GLN 23 -15.120 -1.607 -0.769 620 HG3 GLN 23 1HG GLN 23 -13.593 -1.006 -0.130 621 HE21 GLN 23 1HE2 GLN 23 -16.000 -3.286 0.231 622 HE22 GLN 23 2HE2 GLN 23 -15.614 -3.830 1.825 623 H GLN 24 H GLN 24 -15.845 2.894 -1.016 624 HA GLN 24 HA GLN 24 -16.514 4.969 -0.424 625 HB2 GLN 24 2HB GLN 24 -19.222 3.634 -0.285 626 HB3 GLN 24 1HB GLN 24 -18.950 5.371 -0.322 627 HG2 GLN 24 2HG GLN 24 -18.022 3.522 -2.499 628 HG3 GLN 24 1HG GLN 24 -19.603 4.302 -2.502 629 HE21 GLN 24 1HE2 GLN 24 -17.767 4.694 -4.523 630 HE22 GLN 24 2HE2 GLN 24 -17.212 6.329 -4.479 631 HA PRO 25 HA PRO 25 -16.654 4.000 4.081 632 HB2 PRO 25 2HB PRO 25 -14.292 4.986 4.809 633 HB3 PRO 25 1HB PRO 25 -14.396 3.441 3.954 634 HG2 PRO 25 2HG PRO 25 -13.726 6.155 2.875 635 HG3 PRO 25 1HG PRO 25 -12.938 4.602 2.550 636 HD2 PRO 25 2HD PRO 25 -14.823 5.763 0.903 637 HD3 PRO 25 1HD PRO 25 -14.475 4.024 0.951 638 HA PRO 26 HA PRO 26 -17.956 8.031 5.401 639 HB2 PRO 26 2HB PRO 26 -17.034 7.573 8.140 640 HB3 PRO 26 1HB PRO 26 -18.685 7.635 7.520 641 HG2 PRO 26 2HG PRO 26 -17.533 5.344 8.402 642 HG3 PRO 26 1HG PRO 26 -18.761 5.374 7.123 643 HD2 PRO 26 2HD PRO 26 -15.781 5.143 6.885 644 HD3 PRO 26 1HD PRO 26 -17.055 4.273 6.008 645 H ASP 27 H ASP 27 -14.766 7.018 6.583 646 HA ASP 27 HA ASP 27 -13.792 9.761 6.146 647 HB2 ASP 27 2HB ASP 27 -13.261 7.998 8.541 648 HB3 ASP 27 1HB ASP 27 -12.298 9.420 8.154 649 H LEU 28 H LEU 28 -11.887 9.923 5.131 650 HA LEU 28 HA LEU 28 -10.808 7.583 3.889 651 HB2 LEU 28 2HB LEU 28 -9.865 10.447 3.876 652 HB3 LEU 28 1HB LEU 28 -9.204 9.177 2.865 653 HG LEU 28 HG LEU 28 -12.116 9.938 2.756 654 HD11 LEU 28 1HD1 LEU 28 -9.838 11.096 1.161 655 HD12 LEU 28 2HD1 LEU 28 -10.889 11.957 2.284 656 HD13 LEU 28 3HD1 LEU 28 -11.547 11.308 0.783 657 HD21 LEU 28 3HD2 LEU 28 -11.867 8.989 0.448 658 HD22 LEU 28 1HD2 LEU 28 -11.667 7.823 1.755 659 HD23 LEU 28 2HD2 LEU 28 -10.253 8.454 0.912 660 H VAL 29 H VAL 29 -9.696 9.846 6.376 661 HA VAL 29 HA VAL 29 -7.103 8.856 6.694 662 HB VAL 29 HB VAL 29 -7.901 10.970 7.696 663 HG11 VAL 29 1HG1 VAL 29 -9.245 11.042 9.646 664 HG12 VAL 29 2HG1 VAL 29 -9.182 9.290 9.839 665 HG13 VAL 29 3HG1 VAL 29 -10.083 9.998 8.499 666 HG21 VAL 29 3HG2 VAL 29 -6.771 9.058 9.738 667 HG22 VAL 29 1HG2 VAL 29 -6.627 10.815 9.748 668 HG23 VAL 29 2HG2 VAL 29 -5.836 9.874 8.484 669 H GLU 30 H GLU 30 -10.143 7.838 8.196 670 HA GLU 30 HA GLU 30 -8.895 5.902 9.904 671 HB2 GLU 30 2HB GLU 30 -11.783 6.297 9.109 672 HB3 GLU 30 1HB GLU 30 -11.234 5.144 10.319 673 HG2 GLU 30 2HG GLU 30 -10.197 7.120 11.520 674 HG3 GLU 30 1HG GLU 30 -11.128 8.140 10.424 675 H PHE 31 H PHE 31 -10.576 5.798 6.791 676 HA PHE 31 HA PHE 31 -10.510 2.952 6.580 677 HB2 PHE 31 2HB PHE 31 -12.080 4.531 5.363 678 HB3 PHE 31 1HB PHE 31 -10.735 4.903 4.292 679 HD1 PHE 31 2HD PHE 31 -12.664 2.013 5.631 680 HD2 PHE 31 1HD PHE 31 -10.423 3.619 2.395 681 HE1 PHE 31 2HE PHE 31 -13.225 0.040 4.271 682 HE2 PHE 31 1HE PHE 31 -10.977 1.650 1.025 683 HZ PHE 31 HZ PHE 31 -12.381 -0.143 1.964 684 H ALA 32 H ALA 32 -8.294 5.515 5.776 685 HA ALA 32 HA ALA 32 -6.623 3.910 4.073 686 HB1 ALA 32 1HB ALA 32 -5.025 5.843 4.326 687 HB2 ALA 32 2HB ALA 32 -6.251 6.612 5.335 688 HB3 ALA 32 3HB ALA 32 -6.609 6.235 3.648 689 H VAL 33 H VAL 33 -6.247 5.247 7.350 690 HA VAL 33 HA VAL 33 -3.775 4.177 7.912 691 HB VAL 33 HB VAL 33 -5.105 5.791 9.338 692 HG11 VAL 33 1HG1 VAL 33 -6.210 3.298 10.608 693 HG12 VAL 33 2HG1 VAL 33 -7.123 4.377 9.553 694 HG13 VAL 33 3HG1 VAL 33 -6.499 4.970 11.086 695 HG21 VAL 33 3HG2 VAL 33 -3.988 5.132 11.396 696 HG22 VAL 33 1HG2 VAL 33 -2.932 4.912 10.000 697 HG23 VAL 33 2HG2 VAL 33 -3.717 3.517 10.742 698 H GLU 34 H GLU 34 -6.938 2.638 8.520 699 HA GLU 34 HA GLU 34 -5.948 0.260 9.618 700 HB2 GLU 34 2HB GLU 34 -8.478 0.771 8.046 701 HB3 GLU 34 1HB GLU 34 -8.145 -0.714 8.927 702 HG2 GLU 34 2HG GLU 34 -8.043 0.533 11.014 703 HG3 GLU 34 1HG GLU 34 -8.343 2.034 10.139 704 H TYR 35 H TYR 35 -6.528 1.195 6.270 705 HA TYR 35 HA TYR 35 -6.116 -1.325 5.090 706 HB2 TYR 35 2HB TYR 35 -7.126 0.563 3.886 707 HB3 TYR 35 1HB TYR 35 -5.592 1.422 3.935 708 HD1 TYR 35 2HD TYR 35 -3.596 0.368 2.732 709 HD2 TYR 35 1HD TYR 35 -7.609 -0.913 2.117 710 HE1 TYR 35 2HE TYR 35 -2.933 -0.671 0.606 711 HE2 TYR 35 1HE TYR 35 -6.953 -1.953 -0.013 712 HH TYR 35 HH TYR 35 -4.758 -2.891 -1.006 713 H PHE 36 H PHE 36 -3.836 1.362 5.654 714 HA PHE 36 HA PHE 36 -1.605 -0.113 4.627 715 HB2 PHE 36 2HB PHE 36 -1.871 2.504 6.095 716 HB3 PHE 36 1HB PHE 36 -0.297 1.820 5.703 717 HD1 PHE 36 1HD PHE 36 0.220 1.320 3.274 718 HD2 PHE 36 2HD PHE 36 -3.061 3.739 4.495 719 HE1 PHE 36 1HE PHE 36 0.105 2.296 1.019 720 HE2 PHE 36 2HE PHE 36 -3.186 4.716 2.241 721 HZ PHE 36 HZ PHE 36 -1.601 3.996 0.500 722 H THR 37 H THR 37 -2.667 0.791 7.913 723 HA THR 37 HA THR 37 -0.498 -0.392 9.246 724 HB THR 37 HB THR 37 -3.153 -0.348 10.606 725 HG1 THR 37 1HG THR 37 -1.864 1.908 9.522 726 HG21 THR 37 3HG2 THR 37 -0.379 0.539 11.327 727 HG22 THR 37 1HG2 THR 37 -1.349 -0.739 12.061 728 HG23 THR 37 2HG2 THR 37 -1.797 0.954 12.290 729 H ARG 38 H ARG 38 -3.346 -1.780 7.852 730 HA ARG 38 HA ARG 38 -3.150 -4.288 9.278 731 HB2 ARG 38 2HB ARG 38 -5.326 -3.555 8.485 732 HB3 ARG 38 1HB ARG 38 -4.741 -3.482 6.830 733 HG2 ARG 38 2HG ARG 38 -4.729 -6.048 8.388 734 HG3 ARG 38 1HG ARG 38 -6.169 -5.492 7.539 735 HD2 ARG 38 2HD ARG 38 -4.268 -5.252 5.588 736 HD3 ARG 38 1HD ARG 38 -3.681 -6.652 6.481 737 HE ARG 38 HE ARG 38 -5.379 -7.860 5.580 738 HH11 ARG 38 1HH1 ARG 38 -6.264 -4.485 5.441 739 HH12 ARG 38 2HH1 ARG 38 -7.719 -4.777 4.548 740 HH21 ARG 38 1HH2 ARG 38 -7.290 -8.242 4.405 741 HH22 ARG 38 2HH2 ARG 38 -8.302 -6.909 3.962 742 H LEU 39 H LEU 39 -2.224 -2.991 6.153 743 HA LEU 39 HA LEU 39 -1.412 -5.327 4.877 744 HB2 LEU 39 2HB LEU 39 -1.571 -2.815 4.080 745 HB3 LEU 39 1HB LEU 39 0.140 -2.808 4.459 746 HG LEU 39 HG LEU 39 -1.161 -4.754 2.553 747 HD11 LEU 39 1HD1 LEU 39 -0.202 -3.420 0.765 748 HD12 LEU 39 2HD1 LEU 39 0.413 -2.257 1.941 749 HD13 LEU 39 3HD1 LEU 39 -1.325 -2.456 1.723 750 HD21 LEU 39 3HD2 LEU 39 1.257 -5.008 1.820 751 HD22 LEU 39 1HD2 LEU 39 0.826 -5.715 3.376 752 HD23 LEU 39 2HD2 LEU 39 1.691 -4.179 3.314 753 H ARG 40 H ARG 40 0.530 -3.107 6.872 754 HA ARG 40 HA ARG 40 3.005 -4.247 6.650 755 HB2 ARG 40 2HB ARG 40 1.701 -3.077 9.109 756 HB3 ARG 40 1HB ARG 40 3.418 -3.444 8.990 757 HG2 ARG 40 2HG ARG 40 3.517 -1.904 7.020 758 HG3 ARG 40 1HG ARG 40 1.859 -1.429 7.396 759 HD2 ARG 40 2HD ARG 40 3.365 0.168 8.366 760 HD3 ARG 40 1HD ARG 40 2.613 -0.764 9.659 761 HE ARG 40 HE ARG 40 5.078 -1.929 8.907 762 HH11 ARG 40 1HH1 ARG 40 3.758 0.803 10.632 763 HH12 ARG 40 2HH1 ARG 40 5.131 0.967 11.675 764 HH21 ARG 40 1HH2 ARG 40 6.884 -1.715 10.279 765 HH22 ARG 40 2HH2 ARG 40 6.907 -0.462 11.474 766 H GLU 41 H GLU 41 0.357 -5.334 8.737 767 HA GLU 41 HA GLU 41 1.878 -7.370 10.026 768 HB2 GLU 41 2HB GLU 41 -1.116 -7.061 9.761 769 HB3 GLU 41 1HB GLU 41 -0.299 -8.167 10.858 770 HG2 GLU 41 2HG GLU 41 0.800 -6.155 11.892 771 HG3 GLU 41 1HG GLU 41 -0.292 -5.164 10.928 772 H ALA 42 H ALA 42 0.732 -7.164 6.892 773 HA ALA 42 HA ALA 42 -0.204 -9.774 6.416 774 HB1 ALA 42 1HB ALA 42 0.032 -9.284 4.095 775 HB2 ALA 42 2HB ALA 42 1.191 -7.996 4.426 776 HB3 ALA 42 3HB ALA 42 -0.496 -7.807 4.902 777 H ARG 43 H ARG 43 3.036 -8.354 5.990 778 HA ARG 43 HA ARG 43 4.266 -10.676 5.015 779 HB2 ARG 43 2HB ARG 43 6.413 -9.574 5.933 780 HB3 ARG 43 1HB ARG 43 5.515 -8.738 4.679 781 HG2 ARG 43 2HG ARG 43 6.338 -7.253 6.458 782 HG3 ARG 43 1HG ARG 43 4.590 -7.206 6.274 783 HD2 ARG 43 2HD ARG 43 5.362 -7.237 8.639 784 HD3 ARG 43 1HD ARG 43 4.282 -8.562 8.225 785 HE ARG 43 HE ARG 43 5.967 -10.019 8.729 786 HH11 ARG 43 1HH1 ARG 43 7.379 -6.863 8.200 787 HH12 ARG 43 2HH1 ARG 43 8.971 -7.369 8.646 788 HH21 ARG 43 1HH2 ARG 43 8.062 -10.673 9.321 789 HH22 ARG 43 2HH2 ARG 43 9.360 -9.527 9.283 790 H ALA 44 H ALA 44 6.143 -11.748 6.224 791 HA ALA 44 HA ALA 44 6.495 -12.084 8.870 792 HB1 ALA 44 1HB ALA 44 4.956 -14.204 9.234 793 HB2 ALA 44 2HB ALA 44 3.943 -13.382 8.047 794 HB3 ALA 44 3HB ALA 44 4.364 -12.574 9.556 795 H1 ALA 578 1HT ALA 578 3.356 -2.253 0.375 796 H2 ALA 578 2HT ALA 578 4.173 -1.171 -0.676 797 H3 ALA 578 3HT ALA 578 4.895 -1.637 0.808 798 HA ALA 578 HA ALA 578 4.738 -3.973 -0.074 799 HB1 ALA 578 2HB ALA 578 4.636 -2.473 -2.684 800 HB2 ALA 578 3HB ALA 578 3.255 -3.302 -1.966 801 HB3 ALA 578 1HB ALA 578 4.681 -4.221 -2.449 802 H MET 579 H MET 579 6.769 -4.366 0.534 803 HA MET 579 HA MET 579 8.917 -2.559 0.149 804 HB2 MET 579 2HB MET 579 8.482 -4.750 1.760 805 HB3 MET 579 1HB MET 579 9.662 -5.374 0.617 806 HG2 MET 579 2HG MET 579 10.954 -3.176 1.185 807 HG3 MET 579 1HG MET 579 9.934 -3.176 2.620 808 HE1 MET 579 3HE MET 579 13.687 -5.501 1.888 809 HE2 MET 579 1HE MET 579 13.487 -3.771 2.162 810 HE3 MET 579 2HE MET 579 12.808 -4.520 0.716 811 H ALA 580 H ALA 580 11.058 -4.130 -0.657 812 HA ALA 580 HA ALA 580 10.561 -4.297 -3.542 813 HB1 ALA 580 1HB ALA 580 12.973 -4.165 -3.788 814 HB2 ALA 580 2HB ALA 580 13.176 -4.251 -2.038 815 HB3 ALA 580 3HB ALA 580 12.388 -2.851 -2.767 816 H ASP 581 H ASP 581 9.556 -6.400 -1.954 817 HA ASP 581 HA ASP 581 10.873 -8.639 -3.220 818 HB2 ASP 581 2HB ASP 581 12.137 -8.338 -1.083 819 HB3 ASP 581 1HB ASP 581 10.633 -8.596 -0.204 820 H ILE 582 H ILE 582 9.499 -10.293 -3.605 821 HA ILE 582 HA ILE 582 7.375 -11.001 -4.179 822 HB ILE 582 HB ILE 582 8.257 -12.428 -2.360 823 HG12 ILE 582 2HG1 ILE 582 5.884 -13.320 -1.701 824 HG13 ILE 582 1HG1 ILE 582 5.310 -12.091 -2.820 825 HG21 ILE 582 1HG2 ILE 582 7.668 -12.225 -0.128 826 HG22 ILE 582 2HG2 ILE 582 6.307 -11.163 -0.475 827 HG23 ILE 582 3HG2 ILE 582 7.955 -10.554 -0.604 828 HD11 ILE 582 3HD1 ILE 582 6.984 -13.189 -4.473 829 HD12 ILE 582 1HD1 ILE 582 5.436 -13.964 -4.146 830 HD13 ILE 582 2HD1 ILE 582 6.899 -14.554 -3.361 831 H GLY 583 H GLY 583 5.871 -9.677 -4.875 832 HA2 GLY 583 2HA GLY 583 4.698 -7.617 -3.250 833 HA3 GLY 583 1HA GLY 583 4.241 -8.037 -4.893 834 H SER 584 H SER 584 2.178 -8.603 -5.018 835 HA SER 584 HA SER 584 1.098 -10.637 -3.274 836 HB2 SER 584 2HB SER 584 -0.115 -7.861 -3.298 837 HB3 SER 584 1HB SER 584 -0.828 -9.280 -2.532 838 HG SER 584 HG SER 584 1.443 -7.803 -1.793 839 H ALA 585 H ALA 585 1.214 -11.532 -5.492 840 HA ALA 585 HA ALA 585 -0.322 -10.577 -7.629 841 HB1 ALA 585 1HB ALA 585 0.395 -13.443 -7.023 842 HB2 ALA 585 2HB ALA 585 1.440 -12.282 -7.843 843 HB3 ALA 585 3HB ALA 585 -0.076 -12.785 -8.591 844 H SER 586 H SER 586 -2.321 -9.910 -6.701 845 HA SER 586 HA SER 586 -4.377 -11.869 -6.903 846 HB2 SER 586 2HB SER 586 -3.738 -10.779 -4.152 847 HB3 SER 586 1HB SER 586 -5.251 -11.585 -4.566 848 HG SER 586 HG SER 586 -3.447 -12.889 -3.625 849 H GLY 587 H GLY 587 -5.166 -10.373 -8.426 850 HA2 GLY 587 2HA GLY 587 -5.798 -7.676 -7.585 851 HA3 GLY 587 1HA GLY 587 -6.071 -8.375 -9.174 852 H TYR 588 H TYR 588 -8.088 -7.124 -8.794 853 HA TYR 588 HA TYR 588 -10.309 -8.673 -8.649 854 HB2 TYR 588 2HB TYR 588 -10.004 -9.280 -6.388 855 HB3 TYR 588 1HB TYR 588 -9.502 -7.658 -5.927 856 HD1 TYR 588 1HD TYR 588 -12.472 -8.698 -7.881 857 HD2 TYR 588 2HD TYR 588 -11.007 -7.094 -4.233 858 HE1 TYR 588 1HE TYR 588 -14.786 -8.234 -7.163 859 HE2 TYR 588 2HE TYR 588 -13.302 -6.612 -3.502 860 HH TYR 588 HH TYR 588 -15.634 -7.546 -4.033 861 H VAL 589 H VAL 589 -9.235 -6.322 -9.894 862 HA VAL 589 HA VAL 589 -11.083 -4.184 -9.118 863 HB VAL 589 HB VAL 589 -9.747 -2.705 -10.494 864 HG11 VAL 589 1HG1 VAL 589 -8.134 -4.448 -8.639 865 HG12 VAL 589 2HG1 VAL 589 -9.023 -2.982 -8.230 866 HG13 VAL 589 3HG1 VAL 589 -7.594 -2.888 -9.259 867 HG21 VAL 589 3HG2 VAL 589 -8.602 -5.243 -11.505 868 HG22 VAL 589 1HG2 VAL 589 -7.458 -3.924 -11.261 869 HG23 VAL 589 2HG2 VAL 589 -8.845 -3.702 -12.324 870 HA PRO 590 HA PRO 590 -13.404 -5.847 -12.699 871 HB2 PRO 590 2HB PRO 590 -15.709 -4.398 -12.156 872 HB3 PRO 590 1HB PRO 590 -15.366 -6.025 -11.570 873 HG2 PRO 590 2HG PRO 590 -15.179 -3.429 -10.162 874 HG3 PRO 590 1HG PRO 590 -15.567 -5.030 -9.523 875 HD2 PRO 590 2HD PRO 590 -13.143 -3.788 -9.194 876 HD3 PRO 590 1HD PRO 590 -13.370 -5.546 -9.150 877 H GLU 591 H GLU 591 -15.067 -4.378 -14.173 878 HA GLU 591 HA GLU 591 -13.381 -2.763 -15.671 879 HB2 GLU 591 2HB GLU 591 -16.362 -3.112 -15.635 880 HB3 GLU 591 1HB GLU 591 -15.597 -1.984 -16.746 881 HG2 GLU 591 2HG GLU 591 -15.934 -4.021 -17.905 882 HG3 GLU 591 1HG GLU 591 -14.206 -3.872 -17.587 883 H GLU 592 H GLU 592 -16.395 -1.256 -14.637 884 HA GLU 592 HA GLU 592 -15.551 1.321 -14.730 885 HB2 GLU 592 2HB GLU 592 -17.655 0.103 -12.953 886 HB3 GLU 592 1HB GLU 592 -17.454 1.834 -13.185 887 HG2 GLU 592 2HG GLU 592 -17.767 1.439 -15.644 888 HG3 GLU 592 1HG GLU 592 -18.216 -0.219 -15.243 889 H ILE 593 H ILE 593 -14.978 -0.886 -12.082 890 HA ILE 593 HA ILE 593 -14.320 1.153 -10.180 891 HB ILE 593 HB ILE 593 -13.771 -1.808 -10.193 892 HG12 ILE 593 2HG1 ILE 593 -16.133 -1.161 -9.965 893 HG13 ILE 593 1HG1 ILE 593 -15.525 -1.884 -8.481 894 HG21 ILE 593 1HG2 ILE 593 -13.308 -1.423 -7.705 895 HG22 ILE 593 2HG2 ILE 593 -13.062 0.267 -8.145 896 HG23 ILE 593 3HG2 ILE 593 -12.041 -0.985 -8.850 897 HD11 ILE 593 3HD1 ILE 593 -15.115 0.592 -7.773 898 HD12 ILE 593 1HD1 ILE 593 -16.730 -0.107 -7.682 899 HD13 ILE 593 2HD1 ILE 593 -16.297 0.936 -9.034 900 H TRP 594 H TRP 594 -12.542 -0.578 -12.637 901 HA TRP 594 HA TRP 594 -9.978 0.140 -11.562 902 HB2 TRP 594 2HB TRP 594 -10.272 -1.936 -12.870 903 HB3 TRP 594 1HB TRP 594 -10.645 -0.965 -14.293 904 HD1 TRP 594 HD TRP 594 -8.614 -0.956 -15.854 905 HE1 TRP 594 1HE TRP 594 -6.063 -0.757 -15.565 906 HE3 TRP 594 3HE TRP 594 -8.376 -0.822 -10.748 907 HZ2 TRP 594 2HZ TRP 594 -4.203 -0.567 -13.447 908 HZ3 TRP 594 3HZ TRP 594 -6.188 -0.621 -9.681 909 HH2 TRP 594 HH TRP 594 -4.136 -0.503 -10.996 910 H LYS 595 H LYS 595 -11.929 1.209 -14.330 911 HA LYS 595 HA LYS 595 -10.110 3.048 -15.368 912 HB2 LYS 595 2HB LYS 595 -13.104 2.865 -15.393 913 HB3 LYS 595 1HB LYS 595 -12.319 4.287 -16.065 914 HG2 LYS 595 2HG LYS 595 -11.310 3.084 -17.778 915 HG3 LYS 595 1HG LYS 595 -11.503 1.542 -16.945 916 HD2 LYS 595 2HD LYS 595 -13.942 3.088 -17.736 917 HD3 LYS 595 1HD LYS 595 -13.062 2.182 -18.966 918 HE2 LYS 595 2HE LYS 595 -13.425 0.130 -17.860 919 HE3 LYS 595 1HE LYS 595 -13.945 0.932 -16.378 920 HZ1 LYS 595 3HZ LYS 595 -16.016 1.241 -17.166 921 HZ2 LYS 595 1HZ LYS 595 -15.628 -0.068 -18.167 922 HZ3 LYS 595 2HZ LYS 595 -15.508 1.513 -18.756 923 H LYS 596 H LYS 596 -12.549 3.467 -12.795 924 HA LYS 596 HA LYS 596 -12.050 6.225 -12.456 925 HB2 LYS 596 2HB LYS 596 -13.275 4.218 -10.569 926 HB3 LYS 596 1HB LYS 596 -13.351 5.958 -10.375 927 HG2 LYS 596 2HG LYS 596 -14.454 4.498 -12.764 928 HG3 LYS 596 1HG LYS 596 -15.403 4.874 -11.331 929 HD2 LYS 596 2HD LYS 596 -14.147 6.801 -13.278 930 HD3 LYS 596 1HD LYS 596 -15.863 6.547 -12.962 931 HE2 LYS 596 2HE LYS 596 -15.237 7.272 -10.532 932 HE3 LYS 596 1HE LYS 596 -13.820 7.977 -11.312 933 HZ1 LYS 596 3HZ LYS 596 -15.368 9.175 -12.803 934 HZ2 LYS 596 1HZ LYS 596 -15.519 9.622 -11.179 935 HZ3 LYS 596 2HZ LYS 596 -16.665 8.598 -11.885 936 H ALA 597 H ALA 597 -11.164 3.510 -10.251 937 HA ALA 597 HA ALA 597 -9.769 4.885 -8.377 938 HB1 ALA 597 1HB ALA 597 -10.373 2.493 -8.320 939 HB2 ALA 597 2HB ALA 597 -8.716 2.806 -7.811 940 HB3 ALA 597 3HB ALA 597 -9.036 2.161 -9.418 941 H GLU 598 H GLU 598 -8.466 3.650 -11.430 942 HA GLU 598 HA GLU 598 -5.769 4.297 -10.886 943 HB2 GLU 598 2HB GLU 598 -5.422 4.135 -13.357 944 HB3 GLU 598 1HB GLU 598 -6.203 2.737 -12.636 945 HG2 GLU 598 2HG GLU 598 -7.657 2.922 -14.316 946 HG3 GLU 598 1HG GLU 598 -8.352 4.237 -13.377 947 H GLU 599 H GLU 599 -8.415 6.201 -12.113 948 HA GLU 599 HA GLU 599 -6.862 8.363 -13.103 949 HB2 GLU 599 2HB GLU 599 -8.849 9.253 -13.696 950 HB3 GLU 599 1HB GLU 599 -9.538 7.733 -13.154 951 HG2 GLU 599 2HG GLU 599 -9.864 8.784 -10.909 952 HG3 GLU 599 1HG GLU 599 -9.362 10.314 -11.621 953 H ALA 600 H ALA 600 -8.268 7.662 -9.927 954 HA ALA 600 HA ALA 600 -7.752 10.083 -8.666 955 HB1 ALA 600 1HB ALA 600 -9.089 8.617 -7.469 956 HB2 ALA 600 2HB ALA 600 -7.573 8.579 -6.569 957 HB3 ALA 600 3HB ALA 600 -7.974 7.269 -7.680 958 H VAL 601 H VAL 601 -5.564 7.443 -9.409 959 HA VAL 601 HA VAL 601 -3.454 8.496 -7.738 960 HB VAL 601 HB VAL 601 -3.174 6.332 -9.823 961 HG11 VAL 601 1HG1 VAL 601 -1.352 5.600 -8.287 962 HG12 VAL 601 2HG1 VAL 601 -1.575 7.106 -7.394 963 HG13 VAL 601 3HG1 VAL 601 -1.063 7.150 -9.080 964 HG21 VAL 601 3HG2 VAL 601 -4.499 6.328 -7.185 965 HG22 VAL 601 1HG2 VAL 601 -3.353 5.017 -7.458 966 HG23 VAL 601 2HG2 VAL 601 -4.709 5.244 -8.561 967 H ASN 602 H ASN 602 -4.122 8.331 -11.210 968 HA ASN 602 HA ASN 602 -1.681 9.501 -12.053 969 HB2 ASN 602 2HB ASN 602 -4.387 9.179 -13.337 970 HB3 ASN 602 1HB ASN 602 -3.105 10.076 -14.145 971 HD21 ASN 602 1HD2 ASN 602 -3.749 6.965 -12.580 972 HD22 ASN 602 2HD2 ASN 602 -2.757 6.031 -13.641 973 H GLU 603 H GLU 603 -4.739 10.786 -10.976 974 HA GLU 603 HA GLU 603 -4.194 13.488 -11.776 975 HB2 GLU 603 2HB GLU 603 -6.249 12.267 -9.932 976 HB3 GLU 603 1HB GLU 603 -6.165 13.991 -10.259 977 HG2 GLU 603 2HG GLU 603 -6.475 11.924 -12.416 978 HG3 GLU 603 1HG GLU 603 -7.838 12.697 -11.607 979 H VAL 604 H VAL 604 -4.324 11.938 -8.520 980 HA VAL 604 HA VAL 604 -3.373 14.212 -7.198 981 HB VAL 604 HB VAL 604 -4.541 12.349 -6.068 982 HG11 VAL 604 1HG1 VAL 604 -1.919 10.904 -5.937 983 HG12 VAL 604 2HG1 VAL 604 -3.064 10.592 -7.239 984 HG13 VAL 604 3HG1 VAL 604 -3.539 10.312 -5.563 985 HG21 VAL 604 3HG2 VAL 604 -1.862 12.920 -4.825 986 HG22 VAL 604 1HG2 VAL 604 -3.388 12.605 -4.012 987 HG23 VAL 604 2HG2 VAL 604 -3.168 14.103 -4.902 988 H LYS 605 H LYS 605 -1.651 11.688 -8.852 989 HA LYS 605 HA LYS 605 0.880 12.302 -7.618 990 HB2 LYS 605 2HB LYS 605 1.901 10.796 -9.213 991 HB3 LYS 605 1HB LYS 605 0.470 10.060 -8.515 992 HG2 LYS 605 2HG LYS 605 0.071 9.500 -10.655 993 HG3 LYS 605 1HG LYS 605 -0.622 11.114 -10.716 994 HD2 LYS 605 2HD LYS 605 0.738 11.158 -12.573 995 HD3 LYS 605 1HD LYS 605 1.830 11.814 -11.355 996 HE2 LYS 605 2HE LYS 605 3.109 10.221 -12.499 997 HE3 LYS 605 1HE LYS 605 2.615 9.406 -11.016 998 HZ1 LYS 605 3HZ LYS 605 0.620 8.733 -12.642 999 HZ2 LYS 605 1HZ LYS 605 2.019 7.800 -12.450 1000 HZ3 LYS 605 2HZ LYS 605 1.878 8.852 -13.766 1001 H ARG 606 H ARG 606 -0.666 13.105 -10.696 1002 HA ARG 606 HA ARG 606 1.491 14.606 -11.742 1003 HB2 ARG 606 2HB ARG 606 -1.389 14.275 -12.354 1004 HB3 ARG 606 1HB ARG 606 -0.696 15.808 -12.861 1005 HG2 ARG 606 2HG ARG 606 0.688 13.254 -13.564 1006 HG3 ARG 606 1HG ARG 606 -0.718 13.779 -14.489 1007 HD2 ARG 606 2HD ARG 606 1.679 15.531 -13.985 1008 HD3 ARG 606 1HD ARG 606 1.530 14.489 -15.397 1009 HE ARG 606 HE ARG 606 0.246 17.000 -14.975 1010 HH11 ARG 606 1HH1 ARG 606 -0.133 13.894 -16.533 1011 HH12 ARG 606 2HH1 ARG 606 -1.219 14.495 -17.738 1012 HH21 ARG 606 1HH2 ARG 606 -1.183 17.785 -16.562 1013 HH22 ARG 606 2HH2 ARG 606 -1.814 16.701 -17.756 1014 H GLN 607 H GLN 607 -0.955 15.268 -9.367 1015 HA GLN 607 HA GLN 607 -0.647 18.126 -9.435 1016 HB2 GLN 607 2HB GLN 607 -2.220 16.172 -7.854 1017 HB3 GLN 607 1HB GLN 607 -1.832 17.675 -7.034 1018 HG2 GLN 607 2HG GLN 607 -3.755 18.373 -7.961 1019 HG3 GLN 607 1HG GLN 607 -2.746 18.659 -9.374 1020 HE21 GLN 607 1HE2 GLN 607 -5.212 16.706 -7.958 1021 HE22 GLN 607 2HE2 GLN 607 -5.622 15.817 -9.379 1022 H ALA 608 H ALA 608 0.298 15.657 -6.966 1023 HA ALA 608 HA ALA 608 1.539 17.226 -5.133 1024 HB1 ALA 608 1HB ALA 608 2.257 14.485 -6.129 1025 HB2 ALA 608 2HB ALA 608 1.281 14.917 -4.727 1026 HB3 ALA 608 3HB ALA 608 3.017 15.225 -4.720 1027 H MET 609 H MET 609 2.776 16.298 -8.261 1028 HA MET 609 HA MET 609 5.471 17.040 -7.790 1029 HB2 MET 609 2HB MET 609 5.879 16.655 -10.026 1030 HB3 MET 609 1HB MET 609 4.412 15.712 -9.794 1031 HG2 MET 609 2HG MET 609 3.201 17.866 -10.578 1032 HG3 MET 609 1HG MET 609 4.781 18.323 -11.207 1033 HE1 MET 609 3HE MET 609 3.887 17.251 -14.658 1034 HE2 MET 609 1HE MET 609 4.886 18.258 -13.610 1035 HE3 MET 609 2HE MET 609 3.131 18.425 -13.579 1036 H THR 610 H THR 610 2.630 18.879 -8.657 1037 HA THR 610 HA THR 610 3.968 21.262 -9.443 1038 HB THR 610 HB THR 610 1.197 20.885 -8.282 1039 HG1 THR 610 1HG THR 610 1.366 19.805 -10.211 1040 HG21 THR 610 3HG2 THR 610 0.710 22.996 -9.571 1041 HG22 THR 610 1HG2 THR 610 2.454 23.242 -9.638 1042 HG23 THR 610 2HG2 THR 610 1.633 23.180 -8.079 1043 H GLU 611 H GLU 611 2.845 19.960 -6.385 1044 HA GLU 611 HA GLU 611 3.218 22.224 -4.770 1045 HB2 GLU 611 2HB GLU 611 2.132 19.953 -4.205 1046 HB3 GLU 611 1HB GLU 611 3.762 19.415 -3.829 1047 HG2 GLU 611 2HG GLU 611 2.666 20.081 -1.813 1048 HG3 GLU 611 1HG GLU 611 3.947 21.236 -2.178 1049 H LEU 612 H LEU 612 5.431 20.028 -6.188 1050 HA LEU 612 HA LEU 612 7.690 20.867 -4.546 1051 HB2 LEU 612 2HB LEU 612 7.306 18.816 -6.694 1052 HB3 LEU 612 1HB LEU 612 8.927 19.342 -6.280 1053 HG LEU 612 HG LEU 612 8.239 18.747 -3.838 1054 HD11 LEU 612 1HD1 LEU 612 5.862 18.411 -4.322 1055 HD12 LEU 612 2HD1 LEU 612 6.610 16.958 -3.661 1056 HD13 LEU 612 3HD1 LEU 612 6.275 17.068 -5.388 1057 HD21 LEU 612 3HD2 LEU 612 8.676 16.542 -5.847 1058 HD22 LEU 612 1HD2 LEU 612 9.050 16.497 -4.125 1059 HD23 LEU 612 2HD2 LEU 612 9.942 17.579 -5.191 1060 H GLN 613 H GLN 613 6.938 20.851 -8.030 1061 HA GLN 613 HA GLN 613 9.097 22.389 -8.867 1062 HB2 GLN 613 2HB GLN 613 6.330 22.109 -10.038 1063 HB3 GLN 613 1HB GLN 613 7.653 22.927 -10.859 1064 HG2 GLN 613 2HG GLN 613 7.831 20.077 -9.929 1065 HG3 GLN 613 1HG GLN 613 7.221 20.531 -11.519 1066 HE21 GLN 613 1HE2 GLN 613 9.111 19.065 -12.024 1067 HE22 GLN 613 2HE2 GLN 613 10.642 19.832 -12.260 1068 H LYS 614 H LYS 614 6.259 23.375 -7.173 1069 HA LYS 614 HA LYS 614 7.241 26.062 -6.956 1070 HB2 LYS 614 2HB LYS 614 5.116 27.088 -7.872 1071 HB3 LYS 614 1HB LYS 614 6.209 26.404 -9.067 1072 HG2 LYS 614 2HG LYS 614 4.832 24.395 -9.190 1073 HG3 LYS 614 1HG LYS 614 3.734 25.066 -7.984 1074 HD2 LYS 614 2HD LYS 614 4.321 26.603 -10.491 1075 HD3 LYS 614 1HD LYS 614 3.171 25.268 -10.533 1076 HE2 LYS 614 2HE LYS 614 2.990 27.560 -8.587 1077 HE3 LYS 614 1HE LYS 614 2.171 27.540 -10.147 1078 HZ1 LYS 614 3HZ LYS 614 1.271 25.281 -9.280 1079 HZ2 LYS 614 1HZ LYS 614 0.560 26.725 -8.759 1080 HZ3 LYS 614 2HZ LYS 614 1.654 25.910 -7.759 1081 H ALA 615 H ALA 615 7.109 24.861 -4.802 1082 HA ALA 615 HA ALA 615 4.656 24.321 -3.572 1083 HB1 ALA 615 1HB ALA 615 5.840 24.071 -1.582 1084 HB2 ALA 615 2HB ALA 615 7.024 25.304 -2.015 1085 HB3 ALA 615 3HB ALA 615 7.056 23.734 -2.814 Start of MODEL 12 1 H1 GLY -7 1HT GLY -7 -28.680 10.334 3.497 2 H2 GLY -7 2HT GLY -7 -29.262 9.932 1.961 3 H3 GLY -7 3HT GLY -7 -27.658 9.589 2.373 4 HA2 GLY -7 1HA GLY -7 -28.633 8.150 4.226 5 HA3 GLY -7 2HA GLY -7 -30.126 8.267 3.307 6 H ALA -6 H ALA -6 -28.360 5.958 3.921 7 HA ALA -6 HA ALA -6 -27.621 4.062 2.904 8 HB1 ALA -6 1HB ALA -6 -29.846 4.326 1.768 9 HB2 ALA -6 2HB ALA -6 -28.646 3.403 0.864 10 HB3 ALA -6 3HB ALA -6 -28.990 5.074 0.420 11 H MET -5 H MET -5 -26.058 3.223 1.388 12 HA MET -5 HA MET -5 -24.136 5.270 0.578 13 HB2 MET -5 2HB MET -5 -23.989 2.310 1.062 14 HB3 MET -5 1HB MET -5 -22.737 3.103 0.115 15 HG2 MET -5 2HG MET -5 -22.133 2.852 2.476 16 HG3 MET -5 1HG MET -5 -22.180 4.537 1.960 17 HE1 MET -5 3HE MET -5 -23.840 5.937 4.934 18 HE2 MET -5 1HE MET -5 -23.561 6.373 3.247 19 HE3 MET -5 2HE MET -5 -22.276 5.612 4.186 20 H GLY -4 H GLY -4 -24.763 2.121 -0.942 21 HA2 GLY -4 2HA GLY -4 -26.107 2.776 -3.204 22 HA3 GLY -4 1HA GLY -4 -24.468 3.299 -3.563 23 H SER -3 H SER -3 -25.846 1.320 -5.011 24 HA SER -3 HA SER -3 -23.905 -0.741 -5.030 25 HB2 SER -3 2HB SER -3 -25.277 -1.433 -3.038 26 HB3 SER -3 1HB SER -3 -26.654 -1.622 -4.123 27 HG SER -3 HG SER -3 -24.284 -3.123 -3.969 28 H MET -2 H MET -2 -24.118 0.391 -7.162 29 HA MET -2 HA MET -2 -25.467 -1.291 -9.009 30 HB2 MET -2 2HB MET -2 -27.068 0.263 -9.929 31 HB3 MET -2 1HB MET -2 -27.379 0.087 -8.210 32 HG2 MET -2 2HG MET -2 -26.050 2.193 -7.866 33 HG3 MET -2 1HG MET -2 -26.071 2.394 -9.617 34 HE1 MET -2 3HE MET -2 -29.559 2.718 -6.693 35 HE2 MET -2 1HE MET -2 -28.041 3.575 -6.431 36 HE3 MET -2 2HE MET -2 -28.060 1.812 -6.482 37 H SER -1 H SER -1 -25.498 0.068 -11.286 38 HA SER -1 HA SER -1 -22.755 0.471 -11.874 39 HB2 SER -1 2HB SER -1 -25.167 1.178 -13.563 40 HB3 SER -1 1HB SER -1 -23.510 0.992 -14.136 41 HG SER -1 HG SER -1 -23.720 -1.224 -13.217 42 H HIS 2 H HIS 2 -22.570 2.150 -10.095 43 HA HIS 2 HA HIS 2 -22.535 4.778 -11.338 44 HB2 HIS 2 2HB HIS 2 -24.736 4.402 -9.989 45 HB3 HIS 2 1HB HIS 2 -23.709 4.569 -8.571 46 HD1 HIS 2 1HD HIS 2 -26.012 6.575 -9.559 47 HD2 HIS 2 2HD HIS 2 -21.909 7.100 -9.943 48 HE1 HIS 2 1HE HIS 2 -25.669 9.057 -9.769 49 HE2 HIS 2 2HE HIS 2 -23.184 9.348 -10.062 50 H ILE 3 H ILE 3 -20.553 5.513 -11.051 51 HA ILE 3 HA ILE 3 -19.209 5.192 -8.474 52 HB ILE 3 HB ILE 3 -17.678 4.564 -10.987 53 HG12 ILE 3 2HG1 ILE 3 -19.115 2.541 -9.250 54 HG13 ILE 3 1HG1 ILE 3 -19.557 2.964 -10.899 55 HG21 ILE 3 1HG2 ILE 3 -17.223 3.666 -8.151 56 HG22 ILE 3 2HG2 ILE 3 -16.531 5.134 -8.839 57 HG23 ILE 3 3HG2 ILE 3 -16.105 3.562 -9.511 58 HD11 ILE 3 3HD1 ILE 3 -17.800 0.960 -10.043 59 HD12 ILE 3 1HD1 ILE 3 -16.808 2.184 -10.837 60 HD13 ILE 3 2HD1 ILE 3 -18.164 1.455 -11.695 61 H GLN 4 H GLN 4 -17.649 6.793 -8.051 62 HA GLN 4 HA GLN 4 -16.864 8.671 -10.079 63 HB2 GLN 4 2HB GLN 4 -17.853 10.650 -8.849 64 HB3 GLN 4 1HB GLN 4 -18.993 9.647 -9.732 65 HG2 GLN 4 2HG GLN 4 -18.506 9.183 -6.816 66 HG3 GLN 4 1HG GLN 4 -19.590 10.462 -7.356 67 HE21 GLN 4 1HE2 GLN 4 -19.186 7.108 -6.851 68 HE22 GLN 4 2HE2 GLN 4 -20.754 6.607 -7.374 69 H ILE 5 H ILE 5 -14.873 9.464 -9.580 70 HA ILE 5 HA ILE 5 -13.407 8.639 -7.409 71 HB ILE 5 HB ILE 5 -13.103 10.970 -9.256 72 HG12 ILE 5 2HG1 ILE 5 -10.710 9.718 -9.248 73 HG13 ILE 5 1HG1 ILE 5 -11.718 8.384 -8.704 74 HG21 ILE 5 1HG2 ILE 5 -11.606 10.659 -6.671 75 HG22 ILE 5 2HG2 ILE 5 -12.382 12.098 -7.334 76 HG23 ILE 5 3HG2 ILE 5 -10.899 11.484 -8.059 77 HD11 ILE 5 3HD1 ILE 5 -13.176 8.956 -10.742 78 HD12 ILE 5 1HD1 ILE 5 -11.641 8.120 -10.988 79 HD13 ILE 5 2HD1 ILE 5 -11.762 9.852 -11.298 80 HA PRO 6 HA PRO 6 -15.757 10.632 -4.080 81 HB2 PRO 6 2HB PRO 6 -13.254 9.793 -2.665 82 HB3 PRO 6 1HB PRO 6 -14.942 9.625 -2.163 83 HG2 PRO 6 2HG PRO 6 -13.619 7.537 -3.125 84 HG3 PRO 6 1HG PRO 6 -15.315 7.813 -3.567 85 HD2 PRO 6 2HD PRO 6 -12.841 8.249 -5.178 86 HD3 PRO 6 1HD PRO 6 -14.457 7.733 -5.701 87 HA PRO 7 HA PRO 7 -13.598 14.620 -4.769 88 HB2 PRO 7 2HB PRO 7 -15.726 15.331 -2.777 89 HB3 PRO 7 1HB PRO 7 -15.217 16.195 -4.235 90 HG2 PRO 7 2HG PRO 7 -17.450 14.761 -4.244 91 HG3 PRO 7 1HG PRO 7 -16.367 14.750 -5.650 92 HD2 PRO 7 2HD PRO 7 -16.783 12.660 -3.560 93 HD3 PRO 7 1HD PRO 7 -16.412 12.475 -5.286 94 H GLY 8 H GLY 8 -12.197 15.887 -3.456 95 HA2 GLY 8 2HA GLY 8 -11.010 16.470 -1.560 96 HA3 GLY 8 1HA GLY 8 -12.098 15.477 -0.606 97 H LEU 9 H LEU 9 -11.464 13.175 -2.535 98 HA LEU 9 HA LEU 9 -9.590 11.860 -0.971 99 HB2 LEU 9 2HB LEU 9 -11.141 10.721 -2.449 100 HB3 LEU 9 1HB LEU 9 -10.317 11.374 -3.851 101 HG LEU 9 HG LEU 9 -8.561 9.864 -2.031 102 HD11 LEU 9 1HD1 LEU 9 -10.598 8.551 -1.777 103 HD12 LEU 9 2HD1 LEU 9 -9.370 7.673 -2.691 104 HD13 LEU 9 3HD1 LEU 9 -10.735 8.412 -3.530 105 HD21 LEU 9 3HD2 LEU 9 -7.773 10.624 -4.168 106 HD22 LEU 9 1HD2 LEU 9 -9.097 9.807 -4.997 107 HD23 LEU 9 2HD2 LEU 9 -7.851 8.862 -4.182 108 H THR 10 H THR 10 -9.124 13.647 -4.000 109 HA THR 10 HA THR 10 -6.475 13.031 -4.487 110 HB THR 10 HB THR 10 -6.491 15.555 -5.375 111 HG1 THR 10 1HG THR 10 -9.252 15.005 -5.380 112 HG21 THR 10 3HG2 THR 10 -6.397 13.880 -6.992 113 HG22 THR 10 1HG2 THR 10 -7.872 14.773 -7.363 114 HG23 THR 10 2HG2 THR 10 -7.967 13.220 -6.532 115 H GLU 11 H GLU 11 -7.810 15.505 -2.340 116 HA GLU 11 HA GLU 11 -5.365 16.715 -1.644 117 HB2 GLU 11 2HB GLU 11 -8.045 16.570 -0.281 118 HB3 GLU 11 1HB GLU 11 -6.689 17.417 0.452 119 HG2 GLU 11 2HG GLU 11 -7.612 18.040 -2.333 120 HG3 GLU 11 1HG GLU 11 -8.363 18.776 -0.919 121 H LEU 12 H LEU 12 -7.042 13.891 -0.373 122 HA LEU 12 HA LEU 12 -5.444 13.609 1.957 123 HB2 LEU 12 2HB LEU 12 -7.403 11.925 0.493 124 HB3 LEU 12 1HB LEU 12 -6.291 11.090 1.558 125 HG LEU 12 HG LEU 12 -8.489 11.649 2.586 126 HD11 LEU 12 1HD1 LEU 12 -6.253 13.082 3.995 127 HD12 LEU 12 2HD1 LEU 12 -6.325 11.325 3.866 128 HD13 LEU 12 3HD1 LEU 12 -7.610 12.200 4.697 129 HD21 LEU 12 3HD2 LEU 12 -9.030 13.898 3.182 130 HD22 LEU 12 1HD2 LEU 12 -8.724 13.855 1.445 131 HD23 LEU 12 2HD2 LEU 12 -7.499 14.493 2.541 132 H LEU 13 H LEU 13 -5.294 12.152 -1.271 133 HA LEU 13 HA LEU 13 -3.047 10.514 -0.685 134 HB2 LEU 13 2HB LEU 13 -4.495 11.344 -3.168 135 HB3 LEU 13 1HB LEU 13 -2.933 10.560 -3.317 136 HG LEU 13 HG LEU 13 -3.751 8.565 -2.276 137 HD11 LEU 13 1HD1 LEU 13 -5.137 9.473 -0.547 138 HD12 LEU 13 2HD1 LEU 13 -6.117 8.388 -1.534 139 HD13 LEU 13 3HD1 LEU 13 -6.261 10.135 -1.733 140 HD21 LEU 13 3HD2 LEU 13 -5.611 9.685 -4.366 141 HD22 LEU 13 1HD2 LEU 13 -5.711 8.019 -3.793 142 HD23 LEU 13 2HD2 LEU 13 -4.245 8.592 -4.589 143 H GLN 14 H GLN 14 -3.462 13.789 -1.872 144 HA GLN 14 HA GLN 14 -0.923 14.274 -2.903 145 HB2 GLN 14 2HB GLN 14 -3.229 15.758 -2.481 146 HB3 GLN 14 1HB GLN 14 -2.060 16.547 -1.440 147 HG2 GLN 14 2HG GLN 14 -0.574 16.873 -3.321 148 HG3 GLN 14 1HG GLN 14 -1.700 16.020 -4.377 149 HE21 GLN 14 1HE2 GLN 14 -1.025 18.421 -5.159 150 HE22 GLN 14 2HE2 GLN 14 -2.287 19.569 -4.900 151 H GLY 15 H GLY 15 -2.139 14.620 0.407 152 HA2 GLY 15 2HA GLY 15 0.084 15.786 1.594 153 HA3 GLY 15 1HA GLY 15 -1.028 14.699 2.413 154 H TYR 16 H TYR 16 -0.585 12.347 1.044 155 HA TYR 16 HA TYR 16 1.848 11.474 2.265 156 HB2 TYR 16 2HB TYR 16 0.006 9.941 2.195 157 HB3 TYR 16 1HB TYR 16 -0.126 10.086 0.446 158 HD1 TYR 16 1HD TYR 16 2.005 8.788 3.184 159 HD2 TYR 16 2HD TYR 16 1.172 8.711 -0.988 160 HE1 TYR 16 1HE TYR 16 3.507 6.859 2.923 161 HE2 TYR 16 2HE TYR 16 2.665 6.778 -1.257 162 HH TYR 16 HH TYR 16 3.499 4.807 0.705 163 H THR 17 H THR 17 0.788 11.855 -1.102 164 HA THR 17 HA THR 17 3.060 10.895 -2.364 165 HB THR 17 HB THR 17 1.462 13.183 -3.476 166 HG1 THR 17 1HG THR 17 -0.072 11.613 -4.109 167 HG21 THR 17 3HG2 THR 17 2.152 10.706 -4.965 168 HG22 THR 17 1HG2 THR 17 3.402 11.925 -4.709 169 HG23 THR 17 2HG2 THR 17 1.916 12.352 -5.558 170 H VAL 18 H VAL 18 2.303 14.358 -1.841 171 HA VAL 18 HA VAL 18 4.641 15.454 -2.784 172 HB VAL 18 HB VAL 18 4.272 17.363 -1.281 173 HG11 VAL 18 1HG1 VAL 18 1.777 16.265 -2.567 174 HG12 VAL 18 2HG1 VAL 18 3.021 17.251 -3.339 175 HG13 VAL 18 3HG1 VAL 18 2.010 17.940 -2.067 176 HG21 VAL 18 3HG2 VAL 18 2.541 15.401 0.141 177 HG22 VAL 18 1HG2 VAL 18 2.010 17.081 0.096 178 HG23 VAL 18 2HG2 VAL 18 3.578 16.668 0.785 179 H GLU 19 H GLU 19 4.167 13.705 0.190 180 HA GLU 19 HA GLU 19 6.559 14.658 1.451 181 HB2 GLU 19 2HB GLU 19 4.776 12.301 2.053 182 HB3 GLU 19 1HB GLU 19 6.152 12.762 3.041 183 HG2 GLU 19 2HG GLU 19 4.051 14.790 2.445 184 HG3 GLU 19 1HG GLU 19 3.735 13.546 3.651 185 H VAL 20 H VAL 20 5.733 11.888 -0.577 186 HA VAL 20 HA VAL 20 8.106 10.442 -0.090 187 HB VAL 20 HB VAL 20 5.865 9.739 -1.329 188 HG11 VAL 20 1HG1 VAL 20 5.951 9.651 -3.670 189 HG12 VAL 20 2HG1 VAL 20 7.655 10.096 -3.713 190 HG13 VAL 20 3HG1 VAL 20 6.440 11.293 -3.275 191 HG21 VAL 20 3HG2 VAL 20 8.620 8.651 -1.849 192 HG22 VAL 20 1HG2 VAL 20 7.143 7.810 -2.307 193 HG23 VAL 20 2HG2 VAL 20 7.472 8.144 -0.610 194 H LEU 21 H LEU 21 7.322 12.977 -2.398 195 HA LEU 21 HA LEU 21 9.749 12.723 -3.892 196 HB2 LEU 21 2HB LEU 21 7.398 14.482 -3.901 197 HB3 LEU 21 1HB LEU 21 8.887 15.306 -4.325 198 HG LEU 21 HG LEU 21 9.279 13.524 -6.055 199 HD11 LEU 21 1HD1 LEU 21 7.308 12.242 -6.786 200 HD12 LEU 21 2HD1 LEU 21 6.454 12.785 -5.342 201 HD13 LEU 21 3HD1 LEU 21 7.891 11.776 -5.191 202 HD21 LEU 21 3HD2 LEU 21 8.282 15.799 -6.505 203 HD22 LEU 21 1HD2 LEU 21 6.702 15.014 -6.485 204 HD23 LEU 21 2HD2 LEU 21 7.903 14.547 -7.687 205 H ARG 22 H ARG 22 8.654 14.760 -1.215 206 HA ARG 22 HA ARG 22 11.133 16.227 -1.101 207 HB2 ARG 22 2HB ARG 22 8.730 16.994 -0.448 208 HB3 ARG 22 1HB ARG 22 9.075 16.208 1.083 209 HG2 ARG 22 2HG ARG 22 9.796 18.289 1.620 210 HG3 ARG 22 1HG ARG 22 11.289 17.695 0.891 211 HD2 ARG 22 2HD ARG 22 10.727 19.916 0.054 212 HD3 ARG 22 1HD ARG 22 10.662 18.717 -1.235 213 HE ARG 22 HE ARG 22 8.419 19.103 -1.447 214 HH11 ARG 22 1HH1 ARG 22 9.492 20.460 1.591 215 HH12 ARG 22 2HH1 ARG 22 7.995 21.271 1.895 216 HH21 ARG 22 1HH2 ARG 22 6.451 20.166 -1.038 217 HH22 ARG 22 2HH2 ARG 22 6.269 21.104 0.407 218 H GLN 23 H GLN 23 9.904 13.317 0.370 219 HA GLN 23 HA GLN 23 12.078 13.377 2.364 220 HB2 GLN 23 2HB GLN 23 9.590 13.077 3.012 221 HB3 GLN 23 1HB GLN 23 9.783 11.438 2.407 222 HG2 GLN 23 2HG GLN 23 11.380 12.712 4.618 223 HG3 GLN 23 1HG GLN 23 10.081 11.537 4.815 224 HE21 GLN 23 1HE2 GLN 23 13.399 12.014 4.226 225 HE22 GLN 23 2HE2 GLN 23 13.844 10.358 4.020 226 H GLN 24 H GLN 24 10.420 11.098 0.186 227 HA GLN 24 HA GLN 24 11.176 9.316 -0.992 228 HB2 GLN 24 2HB GLN 24 13.993 10.201 -0.368 229 HB3 GLN 24 1HB GLN 24 13.452 9.208 -1.710 230 HG2 GLN 24 2HG GLN 24 12.523 12.041 -1.385 231 HG3 GLN 24 1HG GLN 24 14.046 11.646 -2.178 232 HE21 GLN 24 1HE2 GLN 24 12.508 12.930 -3.756 233 HE22 GLN 24 2HE2 GLN 24 11.673 11.923 -4.886 234 HA PRO 25 HA PRO 25 12.060 6.931 2.819 235 HB2 PRO 25 2HB PRO 25 9.782 5.587 3.005 236 HB3 PRO 25 1HB PRO 25 9.819 7.320 3.358 237 HG2 PRO 25 2HG PRO 25 8.850 5.904 0.912 238 HG3 PRO 25 1HG PRO 25 8.174 7.323 1.726 239 HD2 PRO 25 2HD PRO 25 9.872 7.344 -0.520 240 HD3 PRO 25 1HD PRO 25 9.459 8.741 0.493 241 HA PRO 26 HA PRO 26 13.241 3.126 0.833 242 HB2 PRO 26 2HB PRO 26 13.597 1.485 2.907 243 HB3 PRO 26 1HB PRO 26 14.594 2.935 2.718 244 HG2 PRO 26 2HG PRO 26 12.203 2.501 4.474 245 HG3 PRO 26 1HG PRO 26 13.748 3.281 4.864 246 HD2 PRO 26 2HD PRO 26 11.463 4.652 4.181 247 HD3 PRO 26 1HD PRO 26 13.106 5.280 3.948 248 H ASP 27 H ASP 27 10.418 3.071 2.933 249 HA ASP 27 HA ASP 27 9.310 0.867 1.329 250 HB2 ASP 27 2HB ASP 27 9.307 1.141 4.333 251 HB3 ASP 27 1HB ASP 27 8.157 0.112 3.483 252 H LEU 28 H LEU 28 7.249 1.089 0.715 253 HA LEU 28 HA LEU 28 6.031 3.673 1.000 254 HB2 LEU 28 2HB LEU 28 4.884 1.194 -0.284 255 HB3 LEU 28 1HB LEU 28 4.362 2.848 -0.541 256 HG LEU 28 HG LEU 28 7.158 1.993 -1.249 257 HD11 LEU 28 1HD1 LEU 28 6.388 1.579 -3.535 258 HD12 LEU 28 2HD1 LEU 28 4.718 1.778 -3.004 259 HD13 LEU 28 3HD1 LEU 28 5.684 0.436 -2.392 260 HD21 LEU 28 3HD2 LEU 28 6.518 4.413 -1.137 261 HD22 LEU 28 1HD2 LEU 28 5.381 4.105 -2.450 262 HD23 LEU 28 2HD2 LEU 28 7.111 3.875 -2.708 263 H VAL 29 H VAL 29 5.071 0.356 1.881 264 HA VAL 29 HA VAL 29 2.662 0.975 3.121 265 HB VAL 29 HB VAL 29 3.444 -1.325 2.556 266 HG11 VAL 29 1HG1 VAL 29 4.966 -1.213 5.152 267 HG12 VAL 29 2HG1 VAL 29 5.721 -1.037 3.568 268 HG13 VAL 29 3HG1 VAL 29 4.901 -2.539 3.993 269 HG21 VAL 29 3HG2 VAL 29 2.466 -2.394 4.617 270 HG22 VAL 29 1HG2 VAL 29 1.479 -1.140 3.872 271 HG23 VAL 29 2HG2 VAL 29 2.403 -0.783 5.330 272 H GLU 30 H GLU 30 5.931 0.893 4.487 273 HA GLU 30 HA GLU 30 5.121 1.374 7.166 274 HB2 GLU 30 2HB GLU 30 7.786 1.954 5.861 275 HB3 GLU 30 1HB GLU 30 7.481 1.867 7.590 276 HG2 GLU 30 2HG GLU 30 6.975 -0.482 7.427 277 HG3 GLU 30 1HG GLU 30 7.122 -0.425 5.671 278 H PHE 31 H PHE 31 6.423 3.492 4.628 279 HA PHE 31 HA PHE 31 6.333 5.867 6.124 280 HB2 PHE 31 2HB PHE 31 7.567 5.438 3.952 281 HB3 PHE 31 1HB PHE 31 6.028 5.686 3.133 282 HD1 PHE 31 1HD PHE 31 8.288 7.327 5.592 283 HD2 PHE 31 2HD PHE 31 5.471 7.817 2.443 284 HE1 PHE 31 1HE PHE 31 8.696 9.751 5.616 285 HE2 PHE 31 2HE PHE 31 5.873 10.250 2.459 286 HZ PHE 31 HZ PHE 31 7.491 11.215 4.050 287 H ALA 32 H ALA 32 3.844 4.116 4.474 288 HA ALA 32 HA ALA 32 2.020 6.328 4.285 289 HB1 ALA 32 1HB ALA 32 1.621 3.373 3.921 290 HB2 ALA 32 2HB ALA 32 1.872 4.587 2.664 291 HB3 ALA 32 3HB ALA 32 0.387 4.597 3.618 292 H VAL 33 H VAL 33 2.320 3.534 6.481 293 HA VAL 33 HA VAL 33 -0.007 4.278 7.972 294 HB VAL 33 HB VAL 33 1.144 1.944 7.832 295 HG11 VAL 33 1HG1 VAL 33 3.341 2.859 8.677 296 HG12 VAL 33 2HG1 VAL 33 2.758 1.393 9.460 297 HG13 VAL 33 3HG1 VAL 33 2.590 2.952 10.268 298 HG21 VAL 33 3HG2 VAL 33 0.249 2.857 10.555 299 HG22 VAL 33 1HG2 VAL 33 0.095 1.251 9.844 300 HG23 VAL 33 2HG2 VAL 33 -0.857 2.593 9.207 301 H GLU 34 H GLU 34 3.456 4.967 8.221 302 HA GLU 34 HA GLU 34 3.301 6.105 10.817 303 HB2 GLU 34 2HB GLU 34 5.522 6.661 10.576 304 HB3 GLU 34 1HB GLU 34 5.389 5.375 9.387 305 HG2 GLU 34 2HG GLU 34 5.066 7.129 7.644 306 HG3 GLU 34 1HG GLU 34 5.421 8.339 8.874 307 H TYR 35 H TYR 35 2.773 7.341 7.586 308 HA TYR 35 HA TYR 35 2.580 10.094 8.410 309 HB2 TYR 35 2HB TYR 35 3.327 9.613 6.159 310 HB3 TYR 35 1HB TYR 35 1.844 8.727 5.816 311 HD1 TYR 35 2HD TYR 35 -0.277 9.926 5.493 312 HD2 TYR 35 1HD TYR 35 3.369 12.033 6.116 313 HE1 TYR 35 2HE TYR 35 -1.339 11.993 4.690 314 HE2 TYR 35 1HE TYR 35 2.312 14.108 5.316 315 HH TYR 35 HH TYR 35 0.459 14.836 3.993 316 H PHE 36 H PHE 36 0.233 7.583 7.426 317 HA PHE 36 HA PHE 36 -2.028 9.256 7.702 318 HB2 PHE 36 2HB PHE 36 -1.560 6.352 7.306 319 HB3 PHE 36 1HB PHE 36 -3.116 6.797 7.997 320 HD1 PHE 36 1HD PHE 36 -4.500 8.549 6.761 321 HD2 PHE 36 2HD PHE 36 -1.223 6.493 4.988 322 HE1 PHE 36 1HE PHE 36 -5.358 9.113 4.526 323 HE2 PHE 36 2HE PHE 36 -2.074 7.056 2.752 324 HZ PHE 36 HZ PHE 36 -4.144 8.368 2.519 325 H THR 37 H THR 37 -0.649 6.818 9.930 326 HA THR 37 HA THR 37 -2.544 7.002 11.942 327 HB THR 37 HB THR 37 -0.697 6.369 13.517 328 HG1 THR 37 1HG THR 37 0.865 6.714 11.184 329 HG21 THR 37 3HG2 THR 37 -1.729 4.521 12.542 330 HG22 THR 37 1HG2 THR 37 0.000 4.268 12.316 331 HG23 THR 37 2HG2 THR 37 -0.991 4.828 10.970 332 H ARG 38 H ARG 38 0.493 8.851 11.706 333 HA ARG 38 HA ARG 38 0.107 10.474 13.929 334 HB2 ARG 38 2HB ARG 38 1.802 10.554 11.512 335 HB3 ARG 38 1HB ARG 38 1.523 12.118 12.263 336 HG2 ARG 38 2HG ARG 38 3.558 11.137 13.105 337 HG3 ARG 38 1HG ARG 38 2.357 11.235 14.392 338 HD2 ARG 38 2HD ARG 38 1.791 8.842 13.941 339 HD3 ARG 38 1HD ARG 38 3.139 8.793 12.808 340 HE ARG 38 HE ARG 38 4.565 8.619 14.577 341 HH11 ARG 38 1HH1 ARG 38 1.508 9.834 15.757 342 HH12 ARG 38 2HH1 ARG 38 1.977 9.745 17.421 343 HH21 ARG 38 1HH2 ARG 38 5.177 8.506 16.766 344 HH22 ARG 38 2HH2 ARG 38 4.057 8.992 17.994 345 H LEU 39 H LEU 39 -0.827 11.083 10.548 346 HA LEU 39 HA LEU 39 -1.767 13.653 10.745 347 HB2 LEU 39 2HB LEU 39 -1.712 11.985 8.740 348 HB3 LEU 39 1HB LEU 39 -3.360 11.622 9.217 349 HG LEU 39 HG LEU 39 -2.385 14.396 8.538 350 HD11 LEU 39 1HD1 LEU 39 -2.191 13.075 6.557 351 HD12 LEU 39 2HD1 LEU 39 -3.648 14.058 6.417 352 HD13 LEU 39 3HD1 LEU 39 -3.774 12.346 6.824 353 HD21 LEU 39 3HD2 LEU 39 -5.089 13.208 9.103 354 HD22 LEU 39 1HD2 LEU 39 -4.888 14.736 8.246 355 HD23 LEU 39 2HD2 LEU 39 -4.298 14.569 9.898 356 H ARG 40 H ARG 40 -3.756 10.727 11.249 357 HA ARG 40 HA ARG 40 -6.047 12.095 12.129 358 HB2 ARG 40 2HB ARG 40 -5.323 9.429 11.646 359 HB3 ARG 40 1HB ARG 40 -5.781 9.466 13.341 360 HG2 ARG 40 2HG ARG 40 -7.918 10.558 12.660 361 HG3 ARG 40 1HG ARG 40 -7.452 10.286 10.981 362 HD2 ARG 40 2HD ARG 40 -8.868 8.485 11.605 363 HD3 ARG 40 1HD ARG 40 -7.220 7.853 11.548 364 HE ARG 40 HE ARG 40 -7.893 8.743 14.158 365 HH11 ARG 40 1HH1 ARG 40 -8.393 6.104 11.927 366 HH12 ARG 40 2HH1 ARG 40 -8.652 4.935 13.177 367 HH21 ARG 40 1HH2 ARG 40 -8.232 7.204 15.801 368 HH22 ARG 40 2HH2 ARG 40 -8.562 5.558 15.375 369 H GLU 41 H GLU 41 -3.458 10.512 13.985 370 HA GLU 41 HA GLU 41 -4.485 11.118 16.531 371 HB2 GLU 41 2HB GLU 41 -1.638 10.592 15.668 372 HB3 GLU 41 1HB GLU 41 -2.192 10.617 17.337 373 HG2 GLU 41 2HG GLU 41 -3.319 8.754 15.265 374 HG3 GLU 41 1HG GLU 41 -1.938 8.346 16.282 375 H ALA 42 H ALA 42 -2.676 13.036 14.273 376 HA ALA 42 HA ALA 42 -1.480 14.894 15.960 377 HB1 ALA 42 1HB ALA 42 -2.679 15.444 13.250 378 HB2 ALA 42 2HB ALA 42 -1.081 14.758 13.534 379 HB3 ALA 42 3HB ALA 42 -1.443 16.399 14.068 380 H ARG 43 H ARG 43 -4.740 14.944 14.544 381 HA ARG 43 HA ARG 43 -5.526 17.412 15.612 382 HB2 ARG 43 2HB ARG 43 -6.884 15.075 14.405 383 HB3 ARG 43 1HB ARG 43 -7.895 16.078 15.433 384 HG2 ARG 43 2HG ARG 43 -6.278 17.081 13.100 385 HG3 ARG 43 1HG ARG 43 -7.997 16.697 13.051 386 HD2 ARG 43 2HD ARG 43 -6.593 18.963 14.405 387 HD3 ARG 43 1HD ARG 43 -8.026 18.987 13.385 388 HE ARG 43 HE ARG 43 -7.935 18.643 16.227 389 HH11 ARG 43 1HH1 ARG 43 -9.776 17.880 13.354 390 HH12 ARG 43 2HH1 ARG 43 -11.270 17.710 14.211 391 HH21 ARG 43 1HH2 ARG 43 -9.901 18.417 17.345 392 HH22 ARG 43 2HH2 ARG 43 -11.343 18.014 16.473 393 H ALA 44 H ALA 44 -5.452 17.899 17.706 394 HA ALA 44 HA ALA 44 -5.701 17.788 19.966 395 HB1 ALA 44 1HB ALA 44 -8.086 17.645 19.083 396 HB2 ALA 44 2HB ALA 44 -7.811 17.119 20.745 397 HB3 ALA 44 3HB ALA 44 -8.004 15.924 19.462 398 H1 GLY -7 1HT GLY -7 21.977 33.526 -12.468 399 H2 GLY -7 2HT GLY -7 20.438 34.081 -12.899 400 H3 GLY -7 3HT GLY -7 20.893 32.491 -13.254 401 HA2 GLY -7 1HA GLY -7 21.276 32.571 -10.593 402 HA3 GLY -7 2HA GLY -7 19.884 33.623 -10.796 403 H ALA -6 H ALA -6 17.997 32.614 -10.603 404 HA ALA -6 HA ALA -6 16.395 30.998 -10.595 405 HB1 ALA -6 1HB ALA -6 17.953 29.761 -12.858 406 HB2 ALA -6 2HB ALA -6 16.860 31.133 -13.046 407 HB3 ALA -6 3HB ALA -6 16.234 29.574 -12.507 408 H MET -5 H MET -5 16.129 28.454 -10.629 409 HA MET -5 HA MET -5 18.354 26.943 -9.653 410 HB2 MET -5 2HB MET -5 16.698 28.373 -7.742 411 HB3 MET -5 1HB MET -5 16.584 26.640 -7.477 412 HG2 MET -5 2HG MET -5 19.198 28.107 -7.689 413 HG3 MET -5 1HG MET -5 18.353 27.831 -6.168 414 HE1 MET -5 3HE MET -5 21.090 27.217 -6.396 415 HE2 MET -5 1HE MET -5 21.455 26.313 -7.865 416 HE3 MET -5 2HE MET -5 21.515 25.509 -6.297 417 H GLY -4 H GLY -4 17.813 25.437 -11.195 418 HA2 GLY -4 2HA GLY -4 15.129 24.397 -11.415 419 HA3 GLY -4 1HA GLY -4 16.544 23.840 -12.296 420 H SER -3 H SER -3 14.332 22.474 -10.708 421 HA SER -3 HA SER -3 15.528 21.279 -8.432 422 HB2 SER -3 2HB SER -3 13.227 20.327 -10.157 423 HB3 SER -3 1HB SER -3 13.661 19.651 -8.588 424 HG SER -3 HG SER -3 12.004 21.205 -8.400 425 H MET -2 H MET -2 16.418 19.215 -8.167 426 HA MET -2 HA MET -2 16.797 17.393 -10.312 427 HB2 MET -2 2HB MET -2 19.269 17.610 -10.479 428 HB3 MET -2 1HB MET -2 18.399 18.999 -11.116 429 HG2 MET -2 2HG MET -2 18.796 20.099 -8.869 430 HG3 MET -2 1HG MET -2 19.921 18.783 -8.539 431 HE1 MET -2 3HE MET -2 20.763 18.694 -11.997 432 HE2 MET -2 1HE MET -2 21.604 18.070 -10.579 433 HE3 MET -2 2HE MET -2 22.390 19.259 -11.618 434 H SER -1 H SER -1 18.094 15.527 -9.690 435 HA SER -1 HA SER -1 18.830 13.922 -8.258 436 HB2 SER -1 2HB SER -1 18.952 15.984 -6.055 437 HB3 SER -1 1HB SER -1 19.862 14.483 -6.193 438 HG SER -1 HG SER -1 20.097 16.698 -7.952 439 H HIS 2 H HIS 2 15.946 15.397 -8.130 440 HA HIS 2 HA HIS 2 14.770 13.303 -6.584 441 HB2 HIS 2 2HB HIS 2 13.548 14.991 -5.073 442 HB3 HIS 2 1HB HIS 2 15.225 14.642 -4.690 443 HD1 HIS 2 1HD HIS 2 15.098 16.983 -3.412 444 HD2 HIS 2 2HD HIS 2 14.879 17.162 -7.556 445 HE1 HIS 2 1HE HIS 2 15.583 19.376 -4.008 446 HE2 HIS 2 2HE HIS 2 15.381 19.474 -6.516 447 H ILE 3 H ILE 3 12.256 14.373 -6.251 448 HA ILE 3 HA ILE 3 10.352 14.934 -7.314 449 HB ILE 3 HB ILE 3 11.974 16.031 -9.600 450 HG12 ILE 3 2HG1 ILE 3 12.614 17.108 -7.469 451 HG13 ILE 3 1HG1 ILE 3 11.760 18.219 -8.529 452 HG21 ILE 3 1HG2 ILE 3 9.742 15.750 -10.275 453 HG22 ILE 3 2HG2 ILE 3 9.881 17.450 -9.832 454 HG23 ILE 3 3HG2 ILE 3 9.117 16.309 -8.723 455 HD11 ILE 3 3HD1 ILE 3 10.724 16.841 -6.077 456 HD12 ILE 3 1HD1 ILE 3 9.683 17.696 -7.216 457 HD13 ILE 3 2HD1 ILE 3 10.943 18.570 -6.345 458 H GLN 4 H GLN 4 10.534 12.495 -7.370 459 HA GLN 4 HA GLN 4 9.677 11.599 -9.948 460 HB2 GLN 4 2HB GLN 4 11.368 9.788 -10.155 461 HB3 GLN 4 1HB GLN 4 12.054 11.396 -10.338 462 HG2 GLN 4 2HG GLN 4 12.711 11.261 -7.908 463 HG3 GLN 4 1HG GLN 4 12.263 9.557 -7.973 464 HE21 GLN 4 1HE2 GLN 4 14.859 10.787 -7.476 465 HE22 GLN 4 2HE2 GLN 4 15.926 10.158 -8.681 466 H ILE 5 H ILE 5 8.049 10.274 -9.557 467 HA ILE 5 HA ILE 5 7.429 9.329 -6.971 468 HB ILE 5 HB ILE 5 6.232 8.272 -9.523 469 HG12 ILE 5 2HG1 ILE 5 6.268 10.806 -9.482 470 HG13 ILE 5 1HG1 ILE 5 4.681 10.078 -9.588 471 HG21 ILE 5 1HG2 ILE 5 5.709 7.166 -7.338 472 HG22 ILE 5 2HG2 ILE 5 4.318 7.778 -8.223 473 HG23 ILE 5 3HG2 ILE 5 4.937 8.668 -6.835 474 HD11 ILE 5 3HD1 ILE 5 5.312 12.086 -7.929 475 HD12 ILE 5 1HD1 ILE 5 5.596 10.709 -6.865 476 HD13 ILE 5 2HD1 ILE 5 4.020 10.933 -7.619 477 HA PRO 6 HA PRO 6 10.212 5.738 -7.028 478 HB2 PRO 6 2HB PRO 6 8.323 4.950 -4.845 479 HB3 PRO 6 1HB PRO 6 10.089 4.899 -4.877 480 HG2 PRO 6 2HG PRO 6 8.830 6.817 -3.547 481 HG3 PRO 6 1HG PRO 6 10.293 7.180 -4.482 482 HD2 PRO 6 2HD PRO 6 7.435 7.764 -5.128 483 HD3 PRO 6 1HD PRO 6 8.892 8.718 -5.473 484 HA PRO 7 HA PRO 7 7.447 3.463 -9.874 485 HB2 PRO 7 2HB PRO 7 9.774 1.599 -9.505 486 HB3 PRO 7 1HB PRO 7 8.892 2.014 -10.981 487 HG2 PRO 7 2HG PRO 7 11.243 3.130 -10.480 488 HG3 PRO 7 1HG PRO 7 9.919 4.096 -11.160 489 HD2 PRO 7 2HD PRO 7 11.022 4.078 -8.392 490 HD3 PRO 7 1HD PRO 7 10.303 5.414 -9.314 491 H GLY 8 H GLY 8 5.766 2.933 -8.488 492 HA2 GLY 8 2HA GLY 8 4.973 0.521 -7.882 493 HA3 GLY 8 1HA GLY 8 6.159 0.711 -6.600 494 H LEU 9 H LEU 9 5.559 3.593 -6.340 495 HA LEU 9 HA LEU 9 3.681 3.471 -4.276 496 HB2 LEU 9 2HB LEU 9 5.446 5.242 -4.732 497 HB3 LEU 9 1HB LEU 9 4.308 5.951 -5.862 498 HG LEU 9 HG LEU 9 3.335 5.449 -3.088 499 HD11 LEU 9 1HD1 LEU 9 4.267 7.809 -2.556 500 HD12 LEU 9 2HD1 LEU 9 5.453 7.429 -3.804 501 HD13 LEU 9 3HD1 LEU 9 5.312 6.401 -2.379 502 HD21 LEU 9 3HD2 LEU 9 2.974 7.735 -5.023 503 HD22 LEU 9 1HD2 LEU 9 2.127 7.519 -3.493 504 HD23 LEU 9 2HD2 LEU 9 1.864 6.381 -4.813 505 H THR 10 H THR 10 3.282 4.363 -7.684 506 HA THR 10 HA THR 10 0.702 5.355 -7.608 507 HB THR 10 HB THR 10 1.753 3.543 -9.785 508 HG1 THR 10 1HG THR 10 3.302 5.061 -9.543 509 HG21 THR 10 3HG2 THR 10 0.396 5.803 -10.811 510 HG22 THR 10 1HG2 THR 10 -0.647 5.086 -9.582 511 HG23 THR 10 2HG2 THR 10 -0.066 4.108 -10.930 512 H GLU 11 H GLU 11 1.767 1.989 -7.793 513 HA GLU 11 HA GLU 11 -0.788 0.827 -8.006 514 HB2 GLU 11 2HB GLU 11 1.434 -0.277 -8.474 515 HB3 GLU 11 1HB GLU 11 1.637 -0.441 -6.735 516 HG2 GLU 11 2HG GLU 11 -0.228 -1.895 -6.566 517 HG3 GLU 11 1HG GLU 11 -0.722 -1.558 -8.224 518 H LEU 12 H LEU 12 1.197 1.662 -5.196 519 HA LEU 12 HA LEU 12 -0.351 0.390 -3.237 520 HB2 LEU 12 2HB LEU 12 1.671 2.558 -3.274 521 HB3 LEU 12 1HB LEU 12 0.638 2.495 -1.859 522 HG LEU 12 HG LEU 12 2.793 1.299 -1.578 523 HD11 LEU 12 1HD1 LEU 12 1.911 -0.465 -0.351 524 HD12 LEU 12 2HD1 LEU 12 0.577 -0.719 -1.476 525 HD13 LEU 12 3HD1 LEU 12 0.580 0.688 -0.415 526 HD21 LEU 12 3HD2 LEU 12 3.189 -0.795 -2.709 527 HD22 LEU 12 1HD2 LEU 12 2.988 0.489 -3.899 528 HD23 LEU 12 2HD2 LEU 12 1.671 -0.642 -3.594 529 H LEU 13 H LEU 13 -0.412 3.849 -4.174 530 HA LEU 13 HA LEU 13 -2.671 4.491 -2.623 531 HB2 LEU 13 2HB LEU 13 -1.671 5.780 -5.169 532 HB3 LEU 13 1HB LEU 13 -2.866 6.478 -4.095 533 HG LEU 13 HG LEU 13 0.036 5.954 -3.442 534 HD11 LEU 13 1HD1 LEU 13 0.037 8.466 -3.193 535 HD12 LEU 13 2HD1 LEU 13 -1.541 8.461 -3.980 536 HD13 LEU 13 3HD1 LEU 13 -0.125 7.859 -4.841 537 HD21 LEU 13 3HD2 LEU 13 -2.271 6.852 -1.740 538 HD22 LEU 13 1HD2 LEU 13 -0.612 7.307 -1.355 539 HD23 LEU 13 2HD2 LEU 13 -1.067 5.606 -1.413 540 H GLN 14 H GLN 14 -2.302 3.197 -5.848 541 HA GLN 14 HA GLN 14 -5.012 3.495 -6.649 542 HB2 GLN 14 2HB GLN 14 -3.045 3.204 -8.178 543 HB3 GLN 14 1HB GLN 14 -2.967 1.521 -7.677 544 HG2 GLN 14 2HG GLN 14 -5.507 2.623 -8.776 545 HG3 GLN 14 1HG GLN 14 -4.191 2.205 -9.869 546 HE21 GLN 14 1HE2 GLN 14 -6.938 1.074 -9.143 547 HE22 GLN 14 2HE2 GLN 14 -6.640 -0.616 -8.978 548 H GLY 15 H GLY 15 -3.188 1.038 -4.952 549 HA2 GLY 15 2HA GLY 15 -5.124 -1.031 -5.112 550 HA3 GLY 15 1HA GLY 15 -3.815 -0.930 -3.945 551 H TYR 16 H TYR 16 -4.660 1.665 -2.928 552 HA TYR 16 HA TYR 16 -6.596 0.731 -1.005 553 HB2 TYR 16 2HB TYR 16 -4.850 2.058 -0.106 554 HB3 TYR 16 1HB TYR 16 -5.042 3.295 -1.342 555 HD1 TYR 16 1HD TYR 16 -6.758 1.760 1.587 556 HD2 TYR 16 2HD TYR 16 -6.385 5.181 -0.918 557 HE1 TYR 16 1HE TYR 16 -8.208 3.032 3.121 558 HE2 TYR 16 2HE TYR 16 -7.833 6.462 0.606 559 HH TYR 16 HH TYR 16 -8.553 5.507 3.692 560 H THR 17 H THR 17 -6.468 3.257 -3.499 561 HA THR 17 HA THR 17 -8.969 4.352 -3.023 562 HB THR 17 HB THR 17 -7.805 4.206 -5.787 563 HG1 THR 17 1HG THR 17 -6.962 5.947 -3.719 564 HG21 THR 17 3HG2 THR 17 -8.458 6.796 -5.321 565 HG22 THR 17 1HG2 THR 17 -9.708 5.965 -4.388 566 HG23 THR 17 2HG2 THR 17 -9.514 5.627 -6.114 567 H VAL 18 H VAL 18 -8.155 1.459 -4.863 568 HA VAL 18 HA VAL 18 -10.571 1.221 -6.278 569 HB VAL 18 HB VAL 18 -10.127 -1.301 -6.198 570 HG11 VAL 18 1HG1 VAL 18 -9.492 0.030 -8.095 571 HG12 VAL 18 2HG1 VAL 18 -8.204 -1.119 -7.733 572 HG13 VAL 18 3HG1 VAL 18 -8.032 0.574 -7.270 573 HG21 VAL 18 3HG2 VAL 18 -8.168 -2.142 -5.283 574 HG22 VAL 18 1HG2 VAL 18 -8.717 -1.005 -4.051 575 HG23 VAL 18 2HG2 VAL 18 -7.422 -0.549 -5.161 576 H GLU 19 H GLU 19 -9.828 0.685 -2.948 577 HA GLU 19 HA GLU 19 -12.170 -0.891 -2.376 578 HB2 GLU 19 2HB GLU 19 -10.147 0.490 -0.617 579 HB3 GLU 19 1HB GLU 19 -11.528 -0.387 0.030 580 HG2 GLU 19 2HG GLU 19 -10.680 -2.371 -1.337 581 HG3 GLU 19 1HG GLU 19 -9.184 -1.453 -1.504 582 H VAL 20 H VAL 20 -11.197 2.468 -1.586 583 HA VAL 20 HA VAL 20 -13.600 3.253 -0.412 584 HB VAL 20 HB VAL 20 -12.985 5.583 -1.001 585 HG11 VAL 20 1HG1 VAL 20 -10.602 4.022 -0.029 586 HG12 VAL 20 2HG1 VAL 20 -12.016 4.382 0.961 587 HG13 VAL 20 3HG1 VAL 20 -11.014 5.696 0.343 588 HG21 VAL 20 3HG2 VAL 20 -10.940 4.204 -2.673 589 HG22 VAL 20 1HG2 VAL 20 -10.690 5.843 -2.092 590 HG23 VAL 20 2HG2 VAL 20 -12.063 5.473 -3.132 591 H LEU 21 H LEU 21 -12.622 3.224 -3.798 592 HA LEU 21 HA LEU 21 -14.836 4.551 -4.882 593 HB2 LEU 21 2HB LEU 21 -12.756 2.692 -5.891 594 HB3 LEU 21 1HB LEU 21 -14.213 2.788 -6.856 595 HG LEU 21 HG LEU 21 -12.290 4.282 -7.547 596 HD11 LEU 21 1HD1 LEU 21 -15.045 5.346 -7.027 597 HD12 LEU 21 2HD1 LEU 21 -14.354 4.730 -8.527 598 HD13 LEU 21 3HD1 LEU 21 -13.824 6.284 -7.887 599 HD21 LEU 21 3HD2 LEU 21 -11.624 5.016 -5.310 600 HD22 LEU 21 1HD2 LEU 21 -13.149 5.877 -5.136 601 HD23 LEU 21 2HD2 LEU 21 -11.989 6.376 -6.363 602 H ARG 22 H ARG 22 -14.334 1.148 -4.074 603 HA ARG 22 HA ARG 22 -16.795 0.232 -5.152 604 HB2 ARG 22 2HB ARG 22 -14.932 -1.004 -3.128 605 HB3 ARG 22 1HB ARG 22 -16.305 -1.836 -3.839 606 HG2 ARG 22 2HG ARG 22 -14.531 -0.685 -5.847 607 HG3 ARG 22 1HG ARG 22 -13.719 -1.841 -4.793 608 HD2 ARG 22 2HD ARG 22 -14.632 -2.943 -6.758 609 HD3 ARG 22 1HD ARG 22 -15.421 -3.508 -5.287 610 HE ARG 22 HE ARG 22 -16.921 -1.404 -6.384 611 HH11 ARG 22 1HH1 ARG 22 -16.082 -4.725 -7.047 612 HH12 ARG 22 2HH1 ARG 22 -17.544 -5.050 -7.917 613 HH21 ARG 22 1HH2 ARG 22 -18.844 -1.829 -7.526 614 HH22 ARG 22 2HH2 ARG 22 -19.111 -3.407 -8.190 615 H GLN 23 H GLN 23 -15.820 1.038 -1.802 616 HA GLN 23 HA GLN 23 -18.606 0.595 -0.958 617 HB2 GLN 23 2HB GLN 23 -16.044 0.772 0.618 618 HB3 GLN 23 1HB GLN 23 -17.637 0.648 1.353 619 HG2 GLN 23 2HG GLN 23 -17.940 -1.534 0.656 620 HG3 GLN 23 1HG GLN 23 -16.769 -1.389 -0.653 621 HE21 GLN 23 1HE2 GLN 23 -14.510 -0.712 0.297 622 HE22 GLN 23 2HE2 GLN 23 -13.954 -1.727 1.580 623 H GLN 24 H GLN 24 -15.982 2.961 -0.644 624 HA GLN 24 HA GLN 24 -16.037 5.225 -0.433 625 HB2 GLN 24 2HB GLN 24 -19.053 5.167 -0.510 626 HB3 GLN 24 1HB GLN 24 -17.985 6.495 -0.920 627 HG2 GLN 24 2HG GLN 24 -17.611 4.087 -2.570 628 HG3 GLN 24 1HG GLN 24 -19.195 4.838 -2.715 629 HE21 GLN 24 1HE2 GLN 24 -17.079 4.624 -4.677 630 HE22 GLN 24 2HE2 GLN 24 -16.679 6.240 -5.142 631 HA PRO 25 HA PRO 25 -17.049 4.283 4.032 632 HB2 PRO 25 2HB PRO 25 -14.624 5.113 5.003 633 HB3 PRO 25 1HB PRO 25 -14.954 3.462 4.463 634 HG2 PRO 25 2HG PRO 25 -13.647 5.711 2.974 635 HG3 PRO 25 1HG PRO 25 -13.161 4.010 3.081 636 HD2 PRO 25 2HD PRO 25 -14.459 4.953 0.942 637 HD3 PRO 25 1HD PRO 25 -14.774 3.319 1.562 638 HA PRO 26 HA PRO 26 -17.948 8.432 5.238 639 HB2 PRO 26 2HB PRO 26 -17.255 8.009 8.038 640 HB3 PRO 26 1HB PRO 26 -18.852 8.134 7.299 641 HG2 PRO 26 2HG PRO 26 -17.876 5.820 8.342 642 HG3 PRO 26 1HG PRO 26 -19.033 5.866 6.999 643 HD2 PRO 26 2HD PRO 26 -16.060 5.470 6.928 644 HD3 PRO 26 1HD PRO 26 -17.334 4.627 6.021 645 H ASP 27 H ASP 27 -14.856 7.186 6.396 646 HA ASP 27 HA ASP 27 -13.746 9.905 6.165 647 HB2 ASP 27 2HB ASP 27 -13.298 7.928 8.401 648 HB3 ASP 27 1HB ASP 27 -12.232 9.299 8.111 649 H LEU 28 H LEU 28 -11.962 10.062 5.013 650 HA LEU 28 HA LEU 28 -10.923 7.741 3.685 651 HB2 LEU 28 2HB LEU 28 -10.219 10.665 3.609 652 HB3 LEU 28 1HB LEU 28 -9.372 9.466 2.649 653 HG LEU 28 HG LEU 28 -12.355 9.688 2.437 654 HD11 LEU 28 1HD1 LEU 28 -11.953 11.262 0.505 655 HD12 LEU 28 2HD1 LEU 28 -10.338 11.520 1.167 656 HD13 LEU 28 3HD1 LEU 28 -11.759 11.949 2.117 657 HD21 LEU 28 3HD2 LEU 28 -11.896 8.926 0.145 658 HD22 LEU 28 1HD2 LEU 28 -11.272 7.808 1.357 659 HD23 LEU 28 2HD2 LEU 28 -10.171 8.897 0.513 660 H VAL 29 H VAL 29 -9.613 10.155 5.949 661 HA VAL 29 HA VAL 29 -7.035 9.092 6.159 662 HB VAL 29 HB VAL 29 -7.639 11.319 7.015 663 HG11 VAL 29 1HG1 VAL 29 -8.811 11.620 9.091 664 HG12 VAL 29 2HG1 VAL 29 -8.952 9.877 9.313 665 HG13 VAL 29 3HG1 VAL 29 -9.819 10.671 8.000 666 HG21 VAL 29 3HG2 VAL 29 -6.332 11.218 9.118 667 HG22 VAL 29 1HG2 VAL 29 -5.580 10.330 7.796 668 HG23 VAL 29 2HG2 VAL 29 -6.435 9.460 9.068 669 H GLU 30 H GLU 30 -9.984 8.351 7.965 670 HA GLU 30 HA GLU 30 -8.786 6.619 9.850 671 HB2 GLU 30 2HB GLU 30 -11.099 7.718 9.929 672 HB3 GLU 30 1HB GLU 30 -11.633 6.407 8.887 673 HG2 GLU 30 2HG GLU 30 -10.715 4.834 10.659 674 HG3 GLU 30 1HG GLU 30 -10.610 6.252 11.702 675 H PHE 31 H PHE 31 -10.714 5.885 6.948 676 HA PHE 31 HA PHE 31 -10.405 3.121 6.973 677 HB2 PHE 31 2HB PHE 31 -12.000 4.432 5.571 678 HB3 PHE 31 1HB PHE 31 -10.652 4.870 4.528 679 HD1 PHE 31 2HD PHE 31 -12.181 1.811 6.018 680 HD2 PHE 31 1HD PHE 31 -10.362 3.620 2.625 681 HE1 PHE 31 2HE PHE 31 -12.531 -0.259 4.735 682 HE2 PHE 31 1HE PHE 31 -10.711 1.553 1.333 683 HZ PHE 31 HZ PHE 31 -11.797 -0.390 2.389 684 H ALA 32 H ALA 32 -8.150 5.569 6.018 685 HA ALA 32 HA ALA 32 -6.506 3.861 4.410 686 HB1 ALA 32 1HB ALA 32 -6.038 6.584 5.587 687 HB2 ALA 32 2HB ALA 32 -6.506 6.184 3.932 688 HB3 ALA 32 3HB ALA 32 -4.896 5.760 4.523 689 H VAL 33 H VAL 33 -6.271 5.065 7.749 690 HA VAL 33 HA VAL 33 -3.725 4.049 8.291 691 HB VAL 33 HB VAL 33 -5.631 3.878 10.564 692 HG11 VAL 33 1HG1 VAL 33 -3.860 4.937 11.759 693 HG12 VAL 33 2HG1 VAL 33 -3.054 5.410 10.263 694 HG13 VAL 33 3HG1 VAL 33 -3.136 3.707 10.722 695 HG21 VAL 33 3HG2 VAL 33 -6.696 5.735 9.641 696 HG22 VAL 33 1HG2 VAL 33 -5.190 6.418 9.026 697 HG23 VAL 33 2HG2 VAL 33 -5.526 6.434 10.757 698 H GLU 34 H GLU 34 -6.844 2.560 9.151 699 HA GLU 34 HA GLU 34 -5.898 0.137 10.082 700 HB2 GLU 34 2HB GLU 34 -8.462 0.690 8.582 701 HB3 GLU 34 1HB GLU 34 -8.133 -0.773 9.499 702 HG2 GLU 34 2HG GLU 34 -7.831 0.663 11.521 703 HG3 GLU 34 1HG GLU 34 -8.394 2.028 10.558 704 H TYR 35 H TYR 35 -6.594 1.090 6.755 705 HA TYR 35 HA TYR 35 -6.269 -1.440 5.565 706 HB2 TYR 35 2HB TYR 35 -7.330 0.363 4.354 707 HB3 TYR 35 1HB TYR 35 -5.869 1.338 4.441 708 HD1 TYR 35 2HD TYR 35 -3.806 0.530 3.196 709 HD2 TYR 35 1HD TYR 35 -7.673 -1.126 2.554 710 HE1 TYR 35 2HE TYR 35 -3.055 -0.373 1.036 711 HE2 TYR 35 1HE TYR 35 -6.932 -2.031 0.389 712 HH TYR 35 HH TYR 35 -5.240 -1.688 -1.269 713 H PHE 36 H PHE 36 -3.925 1.231 5.966 714 HA PHE 36 HA PHE 36 -1.787 -0.192 4.772 715 HB2 PHE 36 2HB PHE 36 -2.008 2.308 6.402 716 HB3 PHE 36 1HB PHE 36 -0.415 1.607 6.133 717 HD1 PHE 36 1HD PHE 36 0.130 0.990 3.652 718 HD2 PHE 36 2HD PHE 36 -2.834 3.810 4.827 719 HE1 PHE 36 1HE PHE 36 0.233 2.024 1.425 720 HE2 PHE 36 2HE PHE 36 -2.735 4.845 2.598 721 HZ PHE 36 HZ PHE 36 -1.200 3.952 0.892 722 H THR 37 H THR 37 -3.110 -0.228 7.983 723 HA THR 37 HA THR 37 -0.777 -1.379 9.222 724 HB THR 37 HB THR 37 -2.299 -1.807 11.137 725 HG1 THR 37 1HG THR 37 -4.419 -1.337 11.003 726 HG21 THR 37 3HG2 THR 37 -2.197 0.920 9.943 727 HG22 THR 37 1HG2 THR 37 -1.389 0.291 11.377 728 HG23 THR 37 2HG2 THR 37 -3.121 0.627 11.413 729 H ARG 38 H ARG 38 -3.825 -2.545 7.917 730 HA ARG 38 HA ARG 38 -3.646 -5.231 8.681 731 HB2 ARG 38 2HB ARG 38 -5.313 -3.674 6.951 732 HB3 ARG 38 1HB ARG 38 -4.821 -5.109 6.067 733 HG2 ARG 38 2HG ARG 38 -5.717 -6.537 7.780 734 HG3 ARG 38 1HG ARG 38 -6.078 -5.146 8.803 735 HD2 ARG 38 2HD ARG 38 -7.582 -4.314 6.974 736 HD3 ARG 38 1HD ARG 38 -7.340 -5.858 6.160 737 HE ARG 38 HE ARG 38 -9.019 -5.337 8.421 738 HH11 ARG 38 1HH1 ARG 38 -7.143 -7.809 6.811 739 HH12 ARG 38 2HH1 ARG 38 -8.078 -9.111 7.462 740 HH21 ARG 38 1HH2 ARG 38 -10.243 -7.054 9.270 741 HH22 ARG 38 2HH2 ARG 38 -9.835 -8.685 8.855 742 H LEU 39 H LEU 39 -2.374 -3.565 5.842 743 HA LEU 39 HA LEU 39 -1.331 -5.835 4.541 744 HB2 LEU 39 2HB LEU 39 -0.846 -2.895 4.375 745 HB3 LEU 39 1HB LEU 39 0.292 -3.967 3.580 746 HG LEU 39 HG LEU 39 -2.666 -4.143 3.044 747 HD11 LEU 39 1HD1 LEU 39 -2.070 -1.861 2.559 748 HD12 LEU 39 2HD1 LEU 39 -2.259 -2.746 1.046 749 HD13 LEU 39 3HD1 LEU 39 -0.646 -2.385 1.661 750 HD21 LEU 39 3HD2 LEU 39 -1.456 -6.046 2.276 751 HD22 LEU 39 1HD2 LEU 39 -0.189 -5.037 1.579 752 HD23 LEU 39 2HD2 LEU 39 -1.802 -5.047 0.866 753 H ARG 40 H ARG 40 0.229 -3.476 6.704 754 HA ARG 40 HA ARG 40 2.757 -4.732 6.692 755 HB2 ARG 40 2HB ARG 40 1.556 -2.462 7.974 756 HB3 ARG 40 1HB ARG 40 2.394 -3.405 9.195 757 HG2 ARG 40 2HG ARG 40 4.425 -3.345 7.754 758 HG3 ARG 40 1HG ARG 40 3.562 -2.248 6.677 759 HD2 ARG 40 2HD ARG 40 4.725 -0.771 8.018 760 HD3 ARG 40 1HD ARG 40 3.174 -0.857 8.852 761 HE ARG 40 HE ARG 40 4.782 -2.815 9.964 762 HH11 ARG 40 1HH1 ARG 40 4.813 0.662 9.661 763 HH12 ARG 40 2HH1 ARG 40 5.691 0.907 11.134 764 HH21 ARG 40 1HH2 ARG 40 5.937 -2.494 11.902 765 HH22 ARG 40 2HH2 ARG 40 6.329 -0.883 12.406 766 H GLU 41 H GLU 41 -0.042 -5.061 8.830 767 HA GLU 41 HA GLU 41 1.235 -6.870 10.631 768 HB2 GLU 41 2HB GLU 41 -1.677 -6.233 10.152 769 HB3 GLU 41 1HB GLU 41 -1.105 -7.288 11.436 770 HG2 GLU 41 2HG GLU 41 -0.175 -4.449 11.145 771 HG3 GLU 41 1HG GLU 41 -1.613 -4.893 12.064 772 H ALA 42 H ALA 42 -0.187 -7.230 7.534 773 HA ALA 42 HA ALA 42 -1.243 -9.786 7.591 774 HB1 ALA 42 1HB ALA 42 -1.320 -8.209 5.664 775 HB2 ALA 42 2HB ALA 42 -0.904 -9.865 5.222 776 HB3 ALA 42 3HB ALA 42 0.355 -8.633 5.312 777 H ARG 43 H ARG 43 2.132 -8.788 7.264 778 HA ARG 43 HA ARG 43 3.273 -11.247 6.638 779 HB2 ARG 43 2HB ARG 43 5.360 -10.331 7.427 780 HB3 ARG 43 1HB ARG 43 4.457 -9.067 6.606 781 HG2 ARG 43 2HG ARG 43 5.087 -7.874 8.422 782 HG3 ARG 43 1HG ARG 43 3.620 -8.585 9.091 783 HD2 ARG 43 2HD ARG 43 5.482 -10.509 9.672 784 HD3 ARG 43 1HD ARG 43 6.436 -9.034 9.809 785 HE ARG 43 HE ARG 43 4.459 -9.958 11.622 786 HH11 ARG 43 1HH1 ARG 43 5.790 -7.036 10.247 787 HH12 ARG 43 2HH1 ARG 43 5.339 -6.050 11.596 788 HH21 ARG 43 1HH2 ARG 43 3.868 -8.661 13.393 789 HH22 ARG 43 2HH2 ARG 43 4.251 -6.971 13.382 790 H ALA 44 H ALA 44 4.086 -12.943 7.836 791 HA ALA 44 HA ALA 44 4.141 -14.480 9.512 792 HB1 ALA 44 1HB ALA 44 4.762 -13.722 11.696 793 HB2 ALA 44 2HB ALA 44 4.152 -12.100 11.360 794 HB3 ALA 44 3HB ALA 44 5.574 -12.702 10.508 795 H1 ALA 578 1HT ALA 578 -5.704 -9.201 -13.721 796 H2 ALA 578 2HT ALA 578 -4.227 -8.581 -14.337 797 H3 ALA 578 3HT ALA 578 -4.301 -9.191 -12.736 798 HA ALA 578 HA ALA 578 -3.326 -10.884 -13.822 799 HB1 ALA 578 2HB ALA 578 -5.059 -12.631 -14.109 800 HB2 ALA 578 3HB ALA 578 -6.296 -11.381 -13.974 801 HB3 ALA 578 1HB ALA 578 -5.231 -11.718 -12.609 802 H MET 579 H MET 579 -5.916 -9.541 -15.821 803 HA MET 579 HA MET 579 -6.224 -9.413 -18.064 804 HB2 MET 579 2HB MET 579 -3.220 -9.503 -17.892 805 HB3 MET 579 1HB MET 579 -4.041 -9.379 -19.441 806 HG2 MET 579 2HG MET 579 -4.461 -7.452 -17.173 807 HG3 MET 579 1HG MET 579 -3.276 -7.218 -18.456 808 HE1 MET 579 3HE MET 579 -6.795 -7.280 -17.285 809 HE2 MET 579 1HE MET 579 -7.710 -6.421 -18.523 810 HE3 MET 579 2HE MET 579 -6.496 -5.566 -17.572 811 H ALA 580 H ALA 580 -3.404 -11.546 -18.296 812 HA ALA 580 HA ALA 580 -5.127 -13.810 -18.991 813 HB1 ALA 580 1HB ALA 580 -2.870 -12.929 -20.786 814 HB2 ALA 580 2HB ALA 580 -4.571 -12.577 -21.091 815 HB3 ALA 580 3HB ALA 580 -4.009 -14.248 -21.060 816 H ASP 581 H ASP 581 -3.990 -13.842 -16.663 817 HA ASP 581 HA ASP 581 -1.997 -15.919 -16.862 818 HB2 ASP 581 2HB ASP 581 -0.672 -13.788 -16.943 819 HB3 ASP 581 1HB ASP 581 -1.300 -13.395 -15.346 820 H ILE 582 H ILE 582 -2.070 -17.285 -15.141 821 HA ILE 582 HA ILE 582 -4.210 -16.900 -13.238 822 HB ILE 582 HB ILE 582 -2.257 -19.196 -13.400 823 HG12 ILE 582 2HG1 ILE 582 -5.013 -18.985 -14.632 824 HG13 ILE 582 1HG1 ILE 582 -3.510 -18.831 -15.532 825 HG21 ILE 582 1HG2 ILE 582 -4.092 -20.426 -12.254 826 HG22 ILE 582 2HG2 ILE 582 -4.945 -18.892 -12.075 827 HG23 ILE 582 3HG2 ILE 582 -3.386 -19.132 -11.286 828 HD11 ILE 582 3HD1 ILE 582 -2.919 -21.108 -15.008 829 HD12 ILE 582 1HD1 ILE 582 -4.524 -21.053 -15.737 830 HD13 ILE 582 2HD1 ILE 582 -4.355 -21.274 -13.996 831 H GLY 583 H GLY 583 -3.807 -15.587 -11.575 832 HA2 GLY 583 2HA GLY 583 -1.348 -16.041 -9.995 833 HA3 GLY 583 1HA GLY 583 -1.932 -14.419 -10.339 834 H SER 584 H SER 584 -1.832 -14.341 -7.927 835 HA SER 584 HA SER 584 -4.451 -14.540 -6.856 836 HB2 SER 584 2HB SER 584 -2.397 -16.554 -5.931 837 HB3 SER 584 1HB SER 584 -3.805 -16.119 -4.966 838 HG SER 584 HG SER 584 -5.121 -17.017 -6.451 839 H ALA 585 H ALA 585 -4.295 -14.164 -4.342 840 HA ALA 585 HA ALA 585 -3.665 -12.834 -2.612 841 HB1 ALA 585 1HB ALA 585 -1.409 -12.487 -2.154 842 HB2 ALA 585 2HB ALA 585 -0.968 -12.431 -3.861 843 HB3 ALA 585 3HB ALA 585 -1.414 -13.966 -3.115 844 H SER 586 H SER 586 -4.407 -11.810 -5.491 845 HA SER 586 HA SER 586 -4.824 -9.143 -4.799 846 HB2 SER 586 2HB SER 586 -2.259 -9.687 -6.242 847 HB3 SER 586 1HB SER 586 -3.159 -8.227 -6.647 848 HG SER 586 HG SER 586 -1.510 -8.215 -4.837 849 H GLY 587 H GLY 587 -6.832 -9.514 -5.717 850 HA2 GLY 587 2HA GLY 587 -7.256 -8.821 -8.355 851 HA3 GLY 587 1HA GLY 587 -7.158 -10.574 -8.347 852 H TYR 588 H TYR 588 -9.254 -8.082 -8.282 853 HA TYR 588 HA TYR 588 -11.566 -9.508 -8.008 854 HB2 TYR 588 2HB TYR 588 -12.274 -8.672 -5.630 855 HB3 TYR 588 1HB TYR 588 -11.295 -10.124 -5.778 856 HD1 TYR 588 1HD TYR 588 -10.786 -6.424 -5.494 857 HD2 TYR 588 2HD TYR 588 -9.506 -10.307 -4.308 858 HE1 TYR 588 1HE TYR 588 -9.105 -5.413 -4.014 859 HE2 TYR 588 2HE TYR 588 -7.823 -9.304 -2.826 860 HH TYR 588 HH TYR 588 -6.917 -6.076 -2.989 861 H VAL 589 H VAL 589 -10.296 -7.103 -9.177 862 HA VAL 589 HA VAL 589 -12.319 -5.062 -8.520 863 HB VAL 589 HB VAL 589 -10.797 -3.430 -9.591 864 HG11 VAL 589 1HG1 VAL 589 -9.018 -3.509 -7.791 865 HG12 VAL 589 2HG1 VAL 589 -9.780 -5.003 -7.243 866 HG13 VAL 589 3HG1 VAL 589 -10.696 -3.495 -7.246 867 HG21 VAL 589 3HG2 VAL 589 -8.306 -4.653 -9.558 868 HG22 VAL 589 1HG2 VAL 589 -9.242 -4.231 -10.990 869 HG23 VAL 589 2HG2 VAL 589 -9.343 -5.853 -10.316 870 HA PRO 590 HA PRO 590 -13.924 -6.164 -12.604 871 HB2 PRO 590 2HB PRO 590 -15.782 -4.124 -12.768 872 HB3 PRO 590 1HB PRO 590 -16.064 -5.673 -11.970 873 HG2 PRO 590 2HG PRO 590 -15.336 -3.038 -10.790 874 HG3 PRO 590 1HG PRO 590 -16.446 -4.271 -10.176 875 HD2 PRO 590 2HD PRO 590 -13.955 -3.938 -9.180 876 HD3 PRO 590 1HD PRO 590 -14.741 -5.527 -9.253 877 H GLU 591 H GLU 591 -14.662 -4.461 -14.538 878 HA GLU 591 HA GLU 591 -12.162 -3.311 -15.323 879 HB2 GLU 591 2HB GLU 591 -13.216 -2.873 -17.439 880 HB3 GLU 591 1HB GLU 591 -13.664 -4.484 -16.896 881 HG2 GLU 591 2HG GLU 591 -15.797 -3.439 -16.016 882 HG3 GLU 591 1HG GLU 591 -15.344 -1.997 -16.922 883 H GLU 592 H GLU 592 -15.332 -1.938 -14.446 884 HA GLU 592 HA GLU 592 -14.586 0.728 -15.097 885 HB2 GLU 592 2HB GLU 592 -16.858 -0.404 -13.474 886 HB3 GLU 592 1HB GLU 592 -16.673 1.314 -13.802 887 HG2 GLU 592 2HG GLU 592 -16.734 0.806 -16.226 888 HG3 GLU 592 1HG GLU 592 -17.067 -0.878 -15.822 889 H ILE 593 H ILE 593 -14.354 -1.185 -12.175 890 HA ILE 593 HA ILE 593 -13.924 1.037 -10.425 891 HB ILE 593 HB ILE 593 -13.534 -1.923 -10.108 892 HG12 ILE 593 2HG1 ILE 593 -15.836 -0.927 -10.104 893 HG13 ILE 593 1HG1 ILE 593 -15.418 -1.782 -8.626 894 HG21 ILE 593 1HG2 ILE 593 -13.181 -1.350 -7.635 895 HG22 ILE 593 2HG2 ILE 593 -12.740 0.256 -8.210 896 HG23 ILE 593 3HG2 ILE 593 -11.815 -1.152 -8.732 897 HD11 ILE 593 3HD1 ILE 593 -14.776 0.557 -7.734 898 HD12 ILE 593 1HD1 ILE 593 -16.478 0.123 -7.862 899 HD13 ILE 593 2HD1 ILE 593 -15.735 1.150 -9.083 900 H TRP 594 H TRP 594 -11.837 -0.917 -12.440 901 HA TRP 594 HA TRP 594 -9.443 -0.095 -11.072 902 HB2 TRP 594 2HB TRP 594 -9.532 -2.267 -12.245 903 HB3 TRP 594 1HB TRP 594 -9.729 -1.415 -13.777 904 HD1 TRP 594 HD TRP 594 -7.581 -0.294 -14.845 905 HE1 TRP 594 1HE TRP 594 -5.069 -0.456 -14.314 906 HE3 TRP 594 3HE TRP 594 -7.866 -2.557 -10.279 907 HZ2 TRP 594 2HZ TRP 594 -3.426 -1.430 -12.226 908 HZ3 TRP 594 3HZ TRP 594 -5.784 -3.077 -9.081 909 HH2 TRP 594 HH TRP 594 -3.611 -2.525 -10.035 910 H LYS 595 H LYS 595 -11.094 0.756 -14.083 911 HA LYS 595 HA LYS 595 -9.165 2.551 -15.038 912 HB2 LYS 595 2HB LYS 595 -12.058 2.072 -15.528 913 HB3 LYS 595 1HB LYS 595 -11.453 3.661 -15.979 914 HG2 LYS 595 2HG LYS 595 -9.916 2.754 -17.518 915 HG3 LYS 595 1HG LYS 595 -10.143 1.119 -16.897 916 HD2 LYS 595 2HD LYS 595 -12.660 2.280 -17.786 917 HD3 LYS 595 1HD LYS 595 -11.455 2.286 -19.074 918 HE2 LYS 595 2HE LYS 595 -11.061 -0.128 -18.640 919 HE3 LYS 595 1HE LYS 595 -12.379 -0.093 -17.471 920 HZ1 LYS 595 3HZ LYS 595 -12.680 -0.695 -20.056 921 HZ2 LYS 595 1HZ LYS 595 -13.035 0.959 -20.085 922 HZ3 LYS 595 2HZ LYS 595 -13.918 -0.076 -19.082 923 H LYS 596 H LYS 596 -11.980 3.042 -12.886 924 HA LYS 596 HA LYS 596 -11.690 5.802 -12.623 925 HB2 LYS 596 2HB LYS 596 -13.433 3.806 -11.675 926 HB3 LYS 596 1HB LYS 596 -12.782 4.562 -10.234 927 HG2 LYS 596 2HG LYS 596 -14.780 5.697 -10.762 928 HG3 LYS 596 1HG LYS 596 -13.458 6.772 -11.212 929 HD2 LYS 596 2HD LYS 596 -13.720 5.749 -13.572 930 HD3 LYS 596 1HD LYS 596 -15.282 5.178 -12.984 931 HE2 LYS 596 2HE LYS 596 -15.987 7.431 -12.517 932 HE3 LYS 596 1HE LYS 596 -14.388 8.056 -12.917 933 HZ1 LYS 596 3HZ LYS 596 -14.819 7.011 -15.195 934 HZ2 LYS 596 1HZ LYS 596 -15.632 8.445 -14.817 935 HZ3 LYS 596 2HZ LYS 596 -16.444 6.963 -14.731 936 H ALA 597 H ALA 597 -10.811 3.343 -10.112 937 HA ALA 597 HA ALA 597 -9.592 5.004 -8.344 938 HB1 ALA 597 1HB ALA 597 -9.952 2.752 -7.761 939 HB2 ALA 597 2HB ALA 597 -8.207 2.994 -7.714 940 HB3 ALA 597 3HB ALA 597 -8.947 2.166 -9.084 941 H GLU 598 H GLU 598 -8.251 3.762 -11.340 942 HA GLU 598 HA GLU 598 -5.552 4.442 -10.856 943 HB2 GLU 598 2HB GLU 598 -7.162 3.739 -13.265 944 HB3 GLU 598 1HB GLU 598 -5.617 4.532 -13.536 945 HG2 GLU 598 2HG GLU 598 -4.575 2.749 -12.106 946 HG3 GLU 598 1HG GLU 598 -6.129 1.916 -12.151 947 H GLU 599 H GLU 599 -8.272 6.271 -12.103 948 HA GLU 599 HA GLU 599 -6.775 8.498 -13.043 949 HB2 GLU 599 2HB GLU 599 -9.660 8.237 -12.191 950 HB3 GLU 599 1HB GLU 599 -8.984 9.722 -12.844 951 HG2 GLU 599 2HG GLU 599 -8.341 8.432 -14.885 952 HG3 GLU 599 1HG GLU 599 -9.247 7.069 -14.232 953 H ALA 600 H ALA 600 -8.438 7.833 -9.970 954 HA ALA 600 HA ALA 600 -8.030 10.250 -8.694 955 HB1 ALA 600 1HB ALA 600 -9.397 8.841 -7.512 956 HB2 ALA 600 2HB ALA 600 -7.904 8.689 -6.584 957 HB3 ALA 600 3HB ALA 600 -8.348 7.444 -7.751 958 H VAL 601 H VAL 601 -5.752 7.621 -9.192 959 HA VAL 601 HA VAL 601 -3.804 8.784 -7.405 960 HB VAL 601 HB VAL 601 -3.501 6.460 -9.307 961 HG11 VAL 601 1HG1 VAL 601 -1.562 5.968 -7.683 962 HG12 VAL 601 2HG1 VAL 601 -1.671 7.677 -7.266 963 HG13 VAL 601 3HG1 VAL 601 -1.328 7.193 -8.928 964 HG21 VAL 601 3HG2 VAL 601 -4.214 6.690 -6.397 965 HG22 VAL 601 1HG2 VAL 601 -3.580 5.204 -7.100 966 HG23 VAL 601 2HG2 VAL 601 -5.102 5.872 -7.684 967 H ASN 602 H ASN 602 -4.209 8.523 -10.910 968 HA ASN 602 HA ASN 602 -1.695 9.652 -11.577 969 HB2 ASN 602 2HB ASN 602 -4.292 9.310 -13.059 970 HB3 ASN 602 1HB ASN 602 -2.972 10.226 -13.780 971 HD21 ASN 602 1HD2 ASN 602 -3.592 7.122 -12.176 972 HD22 ASN 602 2HD2 ASN 602 -2.538 6.198 -13.187 973 H GLU 603 H GLU 603 -4.861 11.021 -10.916 974 HA GLU 603 HA GLU 603 -4.259 13.680 -11.690 975 HB2 GLU 603 2HB GLU 603 -6.558 12.707 -11.359 976 HB3 GLU 603 1HB GLU 603 -6.280 12.793 -9.624 977 HG2 GLU 603 2HG GLU 603 -7.535 14.698 -10.170 978 HG3 GLU 603 1HG GLU 603 -5.882 15.264 -9.937 979 H VAL 604 H VAL 604 -4.430 12.232 -8.398 980 HA VAL 604 HA VAL 604 -3.489 14.529 -7.110 981 HB VAL 604 HB VAL 604 -4.631 12.686 -5.933 982 HG11 VAL 604 1HG1 VAL 604 -3.162 10.921 -7.116 983 HG12 VAL 604 2HG1 VAL 604 -3.637 10.649 -5.444 984 HG13 VAL 604 3HG1 VAL 604 -2.014 11.232 -5.816 985 HG21 VAL 604 3HG2 VAL 604 -3.366 12.906 -3.900 986 HG22 VAL 604 1HG2 VAL 604 -3.323 14.431 -4.771 987 HG23 VAL 604 2HG2 VAL 604 -1.923 13.358 -4.794 988 H LYS 605 H LYS 605 -1.804 12.026 -8.792 989 HA LYS 605 HA LYS 605 0.772 12.450 -7.646 990 HB2 LYS 605 2HB LYS 605 -0.283 10.514 -9.206 991 HB3 LYS 605 1HB LYS 605 0.559 11.432 -10.435 992 HG2 LYS 605 2HG LYS 605 2.644 11.042 -9.450 993 HG3 LYS 605 1HG LYS 605 1.919 10.508 -7.931 994 HD2 LYS 605 2HD LYS 605 1.338 9.004 -10.453 995 HD3 LYS 605 1HD LYS 605 2.871 8.747 -9.626 996 HE2 LYS 605 2HE LYS 605 0.234 8.569 -8.201 997 HE3 LYS 605 1HE LYS 605 0.950 7.187 -9.025 998 HZ1 LYS 605 3HZ LYS 605 1.393 7.759 -6.481 999 HZ2 LYS 605 1HZ LYS 605 2.672 8.621 -7.174 1000 HZ3 LYS 605 2HZ LYS 605 2.522 6.958 -7.450 1001 H ARG 606 H ARG 606 -0.711 13.430 -10.713 1002 HA ARG 606 HA ARG 606 1.441 14.994 -11.633 1003 HB2 ARG 606 2HB ARG 606 -0.763 14.175 -12.828 1004 HB3 ARG 606 1HB ARG 606 -1.402 15.718 -12.281 1005 HG2 ARG 606 2HG ARG 606 1.099 15.423 -13.932 1006 HG3 ARG 606 1HG ARG 606 -0.504 15.711 -14.607 1007 HD2 ARG 606 2HD ARG 606 -0.432 17.716 -12.830 1008 HD3 ARG 606 1HD ARG 606 1.298 17.545 -13.129 1009 HE ARG 606 HE ARG 606 0.103 17.600 -15.610 1010 HH11 ARG 606 1HH1 ARG 606 0.315 19.732 -12.854 1011 HH12 ARG 606 2HH1 ARG 606 0.169 21.174 -13.801 1012 HH21 ARG 606 1HH2 ARG 606 -0.089 19.496 -16.856 1013 HH22 ARG 606 2HH2 ARG 606 -0.061 21.041 -16.074 1014 H GLN 607 H GLN 607 -1.076 15.559 -9.309 1015 HA GLN 607 HA GLN 607 -0.747 18.419 -9.239 1016 HB2 GLN 607 2HB GLN 607 -2.368 16.413 -7.747 1017 HB3 GLN 607 1HB GLN 607 -2.092 17.971 -6.987 1018 HG2 GLN 607 2HG GLN 607 -3.204 19.132 -8.688 1019 HG3 GLN 607 1HG GLN 607 -3.147 17.753 -9.782 1020 HE21 GLN 607 1HE2 GLN 607 -4.047 17.635 -6.382 1021 HE22 GLN 607 2HE2 GLN 607 -5.693 17.190 -6.646 1022 H ALA 608 H ALA 608 0.069 15.819 -6.841 1023 HA ALA 608 HA ALA 608 1.271 17.336 -4.916 1024 HB1 ALA 608 1HB ALA 608 2.668 15.296 -4.471 1025 HB2 ALA 608 2HB ALA 608 1.962 14.594 -5.926 1026 HB3 ALA 608 3HB ALA 608 0.928 15.025 -4.565 1027 H MET 609 H MET 609 2.599 16.349 -7.997 1028 HA MET 609 HA MET 609 5.280 17.093 -7.440 1029 HB2 MET 609 2HB MET 609 5.770 16.510 -9.595 1030 HB3 MET 609 1HB MET 609 4.214 15.706 -9.448 1031 HG2 MET 609 2HG MET 609 3.235 17.870 -10.426 1032 HG3 MET 609 1HG MET 609 4.892 18.244 -10.886 1033 HE1 MET 609 3HE MET 609 5.895 15.347 -13.134 1034 HE2 MET 609 1HE MET 609 6.378 16.459 -11.854 1035 HE3 MET 609 2HE MET 609 5.904 17.084 -13.434 1036 H THR 610 H THR 610 2.499 18.918 -8.595 1037 HA THR 610 HA THR 610 3.982 21.244 -9.339 1038 HB THR 610 HB THR 610 1.408 22.113 -8.624 1039 HG1 THR 610 1HG THR 610 0.654 20.068 -8.314 1040 HG21 THR 610 3HG2 THR 610 0.923 22.186 -10.962 1041 HG22 THR 610 1HG2 THR 610 2.213 21.036 -11.311 1042 HG23 THR 610 2HG2 THR 610 2.607 22.649 -10.717 1043 H GLU 611 H GLU 611 2.388 20.149 -6.394 1044 HA GLU 611 HA GLU 611 2.634 22.485 -4.867 1045 HB2 GLU 611 2HB GLU 611 2.599 19.566 -4.122 1046 HB3 GLU 611 1HB GLU 611 2.730 20.822 -2.898 1047 HG2 GLU 611 2HG GLU 611 0.499 20.676 -4.907 1048 HG3 GLU 611 1HG GLU 611 0.423 19.957 -3.299 1049 H LEU 612 H LEU 612 4.920 20.148 -5.856 1050 HA LEU 612 HA LEU 612 7.014 21.057 -4.037 1051 HB2 LEU 612 2HB LEU 612 6.684 18.792 -5.925 1052 HB3 LEU 612 1HB LEU 612 8.319 19.366 -5.678 1053 HG LEU 612 HG LEU 612 7.083 19.051 -3.105 1054 HD11 LEU 612 1HD1 LEU 612 5.536 17.500 -4.076 1055 HD12 LEU 612 2HD1 LEU 612 6.739 16.604 -3.149 1056 HD13 LEU 612 3HD1 LEU 612 6.840 16.657 -4.908 1057 HD21 LEU 612 3HD2 LEU 612 8.932 17.423 -2.803 1058 HD22 LEU 612 1HD2 LEU 612 9.462 18.980 -3.439 1059 HD23 LEU 612 2HD2 LEU 612 9.311 17.594 -4.515 1060 H GLN 613 H GLN 613 6.177 21.223 -7.445 1061 HA GLN 613 HA GLN 613 8.583 22.446 -8.309 1062 HB2 GLN 613 2HB GLN 613 6.554 21.313 -9.625 1063 HB3 GLN 613 1HB GLN 613 6.029 22.985 -9.756 1064 HG2 GLN 613 2HG GLN 613 7.254 22.561 -11.702 1065 HG3 GLN 613 1HG GLN 613 8.339 23.489 -10.668 1066 HE21 GLN 613 1HE2 GLN 613 7.601 20.306 -11.915 1067 HE22 GLN 613 2HE2 GLN 613 9.161 19.620 -11.629 1068 H LYS 614 H LYS 614 6.049 23.628 -6.420 1069 HA LYS 614 HA LYS 614 7.031 26.369 -6.752 1070 HB2 LYS 614 2HB LYS 614 4.723 27.249 -6.673 1071 HB3 LYS 614 1HB LYS 614 5.043 26.314 -8.126 1072 HG2 LYS 614 2HG LYS 614 3.436 24.831 -7.659 1073 HG3 LYS 614 1HG LYS 614 3.943 24.678 -5.978 1074 HD2 LYS 614 2HD LYS 614 1.729 25.522 -5.944 1075 HD3 LYS 614 1HD LYS 614 2.782 26.878 -5.547 1076 HE2 LYS 614 2HE LYS 614 1.809 26.343 -8.345 1077 HE3 LYS 614 1HE LYS 614 0.903 27.327 -7.197 1078 HZ1 LYS 614 3HZ LYS 614 2.168 28.842 -8.403 1079 HZ2 LYS 614 1HZ LYS 614 3.552 27.868 -8.386 1080 HZ3 LYS 614 2HZ LYS 614 3.049 28.647 -6.971 1081 H ALA 615 H ALA 615 7.606 24.480 -4.731 1082 HA ALA 615 HA ALA 615 5.978 24.796 -2.442 1083 HB1 ALA 615 1HB ALA 615 7.865 23.861 -1.204 1084 HB2 ALA 615 2HB ALA 615 8.904 24.085 -2.611 1085 HB3 ALA 615 3HB ALA 615 7.557 22.950 -2.682 Start of MODEL 13 1 H1 GLY -7 1HT GLY -7 -16.787 11.546 -19.879 2 H2 GLY -7 2HT GLY -7 -15.704 10.302 -20.250 3 H3 GLY -7 3HT GLY -7 -16.466 11.157 -21.494 4 HA2 GLY -7 1HA GLY -7 -15.042 12.865 -21.414 5 HA3 GLY -7 2HA GLY -7 -14.977 12.814 -19.659 6 H ALA -6 H ALA -6 -13.711 11.392 -22.615 7 HA ALA -6 HA ALA -6 -11.751 10.340 -23.092 8 HB1 ALA -6 1HB ALA -6 -10.716 11.578 -20.549 9 HB2 ALA -6 2HB ALA -6 -10.874 12.449 -22.075 10 HB3 ALA -6 3HB ALA -6 -9.783 11.068 -21.957 11 H MET -5 H MET -5 -11.994 8.191 -22.948 12 HA MET -5 HA MET -5 -11.910 6.067 -22.157 13 HB2 MET -5 2HB MET -5 -10.386 7.342 -19.872 14 HB3 MET -5 1HB MET -5 -10.515 5.615 -20.160 15 HG2 MET -5 2HG MET -5 -8.432 6.222 -21.018 16 HG3 MET -5 1HG MET -5 -9.477 6.056 -22.428 17 HE1 MET -5 3HE MET -5 -6.704 8.965 -22.831 18 HE2 MET -5 1HE MET -5 -6.788 7.237 -22.491 19 HE3 MET -5 2HE MET -5 -6.650 8.390 -21.165 20 H GLY -4 H GLY -4 -14.131 7.776 -21.580 21 HA2 GLY -4 2HA GLY -4 -15.002 7.114 -18.890 22 HA3 GLY -4 1HA GLY -4 -15.878 8.067 -20.076 23 H SER -3 H SER -3 -16.817 6.862 -21.922 24 HA SER -3 HA SER -3 -18.209 5.268 -22.743 25 HB2 SER -3 2HB SER -3 -16.637 3.268 -21.110 26 HB3 SER -3 1HB SER -3 -17.541 2.977 -22.595 27 HG SER -3 HG SER -3 -15.142 3.251 -22.712 28 H MET -2 H MET -2 -18.822 6.612 -20.216 29 HA MET -2 HA MET -2 -20.392 6.596 -18.575 30 HB2 MET -2 2HB MET -2 -21.497 4.359 -20.281 31 HB3 MET -2 1HB MET -2 -22.349 5.055 -18.911 32 HG2 MET -2 2HG MET -2 -23.227 6.096 -20.821 33 HG3 MET -2 1HG MET -2 -22.159 7.281 -20.071 34 HE1 MET -2 3HE MET -2 -20.126 8.428 -22.914 35 HE2 MET -2 1HE MET -2 -19.942 8.200 -21.176 36 HE3 MET -2 2HE MET -2 -21.446 8.853 -21.823 37 H SER -1 H SER -1 -20.688 5.763 -16.542 38 HA SER -1 HA SER -1 -20.222 3.018 -15.902 39 HB2 SER -1 2HB SER -1 -18.173 4.912 -14.751 40 HB3 SER -1 1HB SER -1 -18.162 3.148 -14.752 41 HG SER -1 HG SER -1 -16.753 3.832 -16.325 42 H HIS 2 H HIS 2 -19.631 3.145 -13.255 43 HA HIS 2 HA HIS 2 -21.481 5.052 -12.018 44 HB2 HIS 2 2HB HIS 2 -22.682 2.879 -12.556 45 HB3 HIS 2 1HB HIS 2 -21.604 2.094 -11.407 46 HD1 HIS 2 1HD HIS 2 -24.881 3.205 -11.499 47 HD2 HIS 2 2HD HIS 2 -21.778 3.847 -8.812 48 HE1 HIS 2 1HE HIS 2 -25.987 3.879 -9.342 49 HE2 HIS 2 2HE HIS 2 -24.093 4.191 -7.711 50 H ILE 3 H ILE 3 -19.404 5.941 -11.365 51 HA ILE 3 HA ILE 3 -18.471 4.714 -8.872 52 HB ILE 3 HB ILE 3 -16.478 5.739 -10.884 53 HG12 ILE 3 2HG1 ILE 3 -17.649 3.745 -11.822 54 HG13 ILE 3 1HG1 ILE 3 -15.943 3.479 -11.521 55 HG21 ILE 3 1HG2 ILE 3 -16.263 4.185 -8.327 56 HG22 ILE 3 2HG2 ILE 3 -15.618 5.784 -8.691 57 HG23 ILE 3 3HG2 ILE 3 -14.926 4.360 -9.464 58 HD11 ILE 3 3HD1 ILE 3 -17.610 2.704 -9.268 59 HD12 ILE 3 1HD1 ILE 3 -16.337 1.826 -10.110 60 HD13 ILE 3 2HD1 ILE 3 -17.975 1.829 -10.754 61 H GLN 4 H GLN 4 -17.738 7.440 -11.041 62 HA GLN 4 HA GLN 4 -17.549 9.662 -10.710 63 HB2 GLN 4 2HB GLN 4 -19.373 9.112 -8.365 64 HB3 GLN 4 1HB GLN 4 -18.974 10.712 -8.970 65 HG2 GLN 4 2HG GLN 4 -20.989 10.329 -9.992 66 HG3 GLN 4 1HG GLN 4 -19.859 9.796 -11.234 67 HE21 GLN 4 1HE2 GLN 4 -21.639 8.579 -12.082 68 HE22 GLN 4 2HE2 GLN 4 -22.046 7.046 -11.398 69 H ILE 5 H ILE 5 -15.433 10.010 -10.276 70 HA ILE 5 HA ILE 5 -13.977 9.279 -8.050 71 HB ILE 5 HB ILE 5 -13.620 11.832 -9.628 72 HG12 ILE 5 2HG1 ILE 5 -13.554 9.964 -11.145 73 HG13 ILE 5 1HG1 ILE 5 -11.898 10.483 -10.867 74 HG21 ILE 5 1HG2 ILE 5 -11.804 10.354 -7.740 75 HG22 ILE 5 2HG2 ILE 5 -12.336 12.034 -7.658 76 HG23 ILE 5 3HG2 ILE 5 -11.208 11.528 -8.915 77 HD11 ILE 5 3HD1 ILE 5 -11.824 8.642 -9.093 78 HD12 ILE 5 1HD1 ILE 5 -11.794 8.168 -10.791 79 HD13 ILE 5 2HD1 ILE 5 -13.291 8.038 -9.865 80 HA PRO 6 HA PRO 6 -16.354 11.633 -4.944 81 HB2 PRO 6 2HB PRO 6 -14.090 10.612 -3.278 82 HB3 PRO 6 1HB PRO 6 -15.827 10.597 -2.948 83 HG2 PRO 6 2HG PRO 6 -14.576 8.377 -3.701 84 HG3 PRO 6 1HG PRO 6 -16.201 8.753 -4.307 85 HD2 PRO 6 2HD PRO 6 -13.563 8.973 -5.693 86 HD3 PRO 6 1HD PRO 6 -15.146 8.502 -6.337 87 HA PRO 7 HA PRO 7 -13.768 15.267 -4.763 88 HB2 PRO 7 2HB PRO 7 -15.166 16.794 -3.082 89 HB3 PRO 7 1HB PRO 7 -15.847 16.325 -4.647 90 HG2 PRO 7 2HG PRO 7 -16.341 15.128 -1.940 91 HG3 PRO 7 1HG PRO 7 -17.517 15.572 -3.192 92 HD2 PRO 7 2HD PRO 7 -16.588 13.018 -2.825 93 HD3 PRO 7 1HD PRO 7 -17.158 13.644 -4.385 94 H GLY 8 H GLY 8 -12.166 16.233 -3.479 95 HA2 GLY 8 2HA GLY 8 -10.889 16.633 -1.585 96 HA3 GLY 8 1HA GLY 8 -12.021 15.678 -0.644 97 H LEU 9 H LEU 9 -11.642 13.453 -2.729 98 HA LEU 9 HA LEU 9 -9.812 11.921 -1.299 99 HB2 LEU 9 2HB LEU 9 -11.601 11.431 -3.316 100 HB3 LEU 9 1HB LEU 9 -10.078 11.218 -4.155 101 HG LEU 9 HG LEU 9 -10.994 9.721 -1.697 102 HD11 LEU 9 1HD1 LEU 9 -12.131 9.017 -3.718 103 HD12 LEU 9 2HD1 LEU 9 -10.981 7.783 -3.203 104 HD13 LEU 9 3HD1 LEU 9 -10.587 8.847 -4.553 105 HD21 LEU 9 3HD2 LEU 9 -8.916 8.342 -2.210 106 HD22 LEU 9 1HD2 LEU 9 -8.664 9.919 -1.464 107 HD23 LEU 9 2HD2 LEU 9 -8.385 9.707 -3.193 108 H THR 10 H THR 10 -9.365 13.731 -4.313 109 HA THR 10 HA THR 10 -6.733 12.992 -4.835 110 HB THR 10 HB THR 10 -7.775 15.757 -5.413 111 HG1 THR 10 1HG THR 10 -9.479 14.633 -6.084 112 HG21 THR 10 3HG2 THR 10 -6.543 15.656 -7.387 113 HG22 THR 10 1HG2 THR 10 -6.340 13.907 -7.279 114 HG23 THR 10 2HG2 THR 10 -5.475 14.967 -6.165 115 H GLU 11 H GLU 11 -8.011 15.604 -2.821 116 HA GLU 11 HA GLU 11 -5.532 16.816 -2.240 117 HB2 GLU 11 2HB GLU 11 -7.842 17.800 -1.902 118 HB3 GLU 11 1HB GLU 11 -7.961 16.819 -0.449 119 HG2 GLU 11 2HG GLU 11 -5.741 18.788 -0.916 120 HG3 GLU 11 1HG GLU 11 -7.258 19.214 -0.126 121 H LEU 12 H LEU 12 -7.201 14.075 -0.825 122 HA LEU 12 HA LEU 12 -5.622 13.984 1.552 123 HB2 LEU 12 2HB LEU 12 -7.878 12.607 0.543 124 HB3 LEU 12 1HB LEU 12 -6.654 11.391 0.841 125 HG LEU 12 HG LEU 12 -8.058 11.584 2.780 126 HD11 LEU 12 1HD1 LEU 12 -5.495 11.368 2.977 127 HD12 LEU 12 2HD1 LEU 12 -6.434 11.732 4.424 128 HD13 LEU 12 3HD1 LEU 12 -5.559 13.018 3.596 129 HD21 LEU 12 3HD2 LEU 12 -7.259 14.467 3.074 130 HD22 LEU 12 1HD2 LEU 12 -8.499 13.575 3.953 131 HD23 LEU 12 2HD2 LEU 12 -8.740 13.973 2.253 132 H LEU 13 H LEU 13 -5.475 12.301 -1.567 133 HA LEU 13 HA LEU 13 -3.268 10.655 -0.844 134 HB2 LEU 13 2HB LEU 13 -4.706 11.324 -3.369 135 HB3 LEU 13 1HB LEU 13 -3.121 10.587 -3.497 136 HG LEU 13 HG LEU 13 -3.879 8.631 -2.301 137 HD11 LEU 13 1HD1 LEU 13 -6.292 8.436 -1.675 138 HD12 LEU 13 2HD1 LEU 13 -6.441 10.169 -1.959 139 HD13 LEU 13 3HD1 LEU 13 -5.365 9.575 -0.695 140 HD21 LEU 13 3HD2 LEU 13 -5.742 9.519 -4.502 141 HD22 LEU 13 1HD2 LEU 13 -5.680 7.874 -3.866 142 HD23 LEU 13 2HD2 LEU 13 -4.265 8.566 -4.659 143 H GLN 14 H GLN 14 -3.604 13.866 -2.166 144 HA GLN 14 HA GLN 14 -0.995 14.163 -3.188 145 HB2 GLN 14 2HB GLN 14 -3.223 15.708 -3.260 146 HB3 GLN 14 1HB GLN 14 -2.295 16.577 -2.049 147 HG2 GLN 14 2HG GLN 14 -0.373 16.391 -3.816 148 HG3 GLN 14 1HG GLN 14 -1.705 16.138 -4.941 149 HE21 GLN 14 1HE2 GLN 14 -2.937 17.845 -5.551 150 HE22 GLN 14 2HE2 GLN 14 -2.666 19.471 -5.035 151 H GLY 15 H GLY 15 -2.369 14.840 0.006 152 HA2 GLY 15 2HA GLY 15 -0.183 16.103 1.177 153 HA3 GLY 15 1HA GLY 15 -1.342 15.107 2.047 154 H TYR 16 H TYR 16 -0.884 12.625 0.933 155 HA TYR 16 HA TYR 16 1.485 11.847 2.324 156 HB2 TYR 16 2HB TYR 16 -0.463 10.360 2.177 157 HB3 TYR 16 1HB TYR 16 -0.251 10.244 0.432 158 HD1 TYR 16 2HD TYR 16 1.871 9.843 3.479 159 HD2 TYR 16 1HD TYR 16 0.731 8.263 -0.299 160 HE1 TYR 16 2HE TYR 16 3.387 7.941 3.831 161 HE2 TYR 16 1HE TYR 16 2.254 6.357 0.036 162 HH TYR 16 HH TYR 16 4.283 5.833 1.346 163 H THR 17 H THR 17 0.599 11.927 -1.111 164 HA THR 17 HA THR 17 2.889 10.875 -2.218 165 HB THR 17 HB THR 17 1.301 13.147 -3.403 166 HG1 THR 17 1HG THR 17 -0.167 11.668 -4.038 167 HG21 THR 17 3HG2 THR 17 3.387 12.348 -4.601 168 HG22 THR 17 1HG2 THR 17 1.880 12.328 -5.515 169 HG23 THR 17 2HG2 THR 17 2.526 10.828 -4.851 170 H VAL 18 H VAL 18 2.246 14.376 -1.884 171 HA VAL 18 HA VAL 18 4.705 15.285 -2.756 172 HB VAL 18 HB VAL 18 4.283 17.353 -1.499 173 HG11 VAL 18 1HG1 VAL 18 1.954 16.156 -2.982 174 HG12 VAL 18 2HG1 VAL 18 3.255 17.157 -3.633 175 HG13 VAL 18 3HG1 VAL 18 2.061 17.856 -2.537 176 HG21 VAL 18 3HG2 VAL 18 3.369 16.850 0.549 177 HG22 VAL 18 1HG2 VAL 18 2.288 15.624 -0.105 178 HG23 VAL 18 2HG2 VAL 18 1.918 17.333 -0.326 179 H GLU 19 H GLU 19 3.841 14.006 0.401 180 HA GLU 19 HA GLU 19 6.255 14.928 1.671 181 HB2 GLU 19 2HB GLU 19 3.994 13.135 2.500 182 HB3 GLU 19 1HB GLU 19 5.462 13.207 3.464 183 HG2 GLU 19 2HG GLU 19 4.870 15.866 3.133 184 HG3 GLU 19 1HG GLU 19 3.271 15.137 3.221 185 H VAL 20 H VAL 20 5.111 11.833 0.355 186 HA VAL 20 HA VAL 20 7.216 10.207 1.157 187 HB VAL 20 HB VAL 20 5.857 10.022 -1.535 188 HG11 VAL 20 1HG1 VAL 20 6.272 7.562 -1.149 189 HG12 VAL 20 2HG1 VAL 20 7.305 8.035 0.198 190 HG13 VAL 20 3HG1 VAL 20 7.706 8.547 -1.441 191 HG21 VAL 20 3HG2 VAL 20 4.666 8.233 0.322 192 HG22 VAL 20 1HG2 VAL 20 3.919 9.592 -0.514 193 HG23 VAL 20 2HG2 VAL 20 4.666 9.829 1.063 194 H LEU 21 H LEU 21 6.964 12.340 -1.636 195 HA LEU 21 HA LEU 21 9.514 11.621 -2.723 196 HB2 LEU 21 2HB LEU 21 7.933 14.119 -3.299 197 HB3 LEU 21 1HB LEU 21 9.128 13.352 -4.329 198 HG LEU 21 HG LEU 21 6.514 12.033 -3.605 199 HD11 LEU 21 1HD1 LEU 21 5.703 12.730 -5.804 200 HD12 LEU 21 2HD1 LEU 21 7.159 13.697 -6.030 201 HD13 LEU 21 3HD1 LEU 21 6.016 14.110 -4.752 202 HD21 LEU 21 3HD2 LEU 21 8.389 10.601 -4.393 203 HD22 LEU 21 1HD2 LEU 21 8.399 11.524 -5.896 204 HD23 LEU 21 2HD2 LEU 21 6.977 10.585 -5.446 205 H ARG 22 H ARG 22 8.318 14.222 -0.655 206 HA ARG 22 HA ARG 22 10.561 15.878 -0.744 207 HB2 ARG 22 2HB ARG 22 8.259 16.340 0.265 208 HB3 ARG 22 1HB ARG 22 8.838 15.508 1.700 209 HG2 ARG 22 2HG ARG 22 9.259 17.707 2.225 210 HG3 ARG 22 1HG ARG 22 10.813 17.197 1.565 211 HD2 ARG 22 2HD ARG 22 10.193 19.365 0.670 212 HD3 ARG 22 1HD ARG 22 10.186 18.154 -0.609 213 HE ARG 22 HE ARG 22 7.948 18.509 -0.883 214 HH11 ARG 22 1HH1 ARG 22 8.894 19.819 2.218 215 HH12 ARG 22 2HH1 ARG 22 7.354 20.551 2.513 216 HH21 ARG 22 1HH2 ARG 22 5.927 19.472 -0.488 217 HH22 ARG 22 2HH2 ARG 22 5.670 20.354 0.981 218 H GLN 23 H GLN 23 9.946 12.992 1.180 219 HA GLN 23 HA GLN 23 12.597 13.311 2.444 220 HB2 GLN 23 2HB GLN 23 10.566 13.212 3.932 221 HB3 GLN 23 1HB GLN 23 10.347 11.549 3.404 222 HG2 GLN 23 2HG GLN 23 12.338 10.844 4.427 223 HG3 GLN 23 1HG GLN 23 12.912 12.497 4.634 224 HE21 GLN 23 1HE2 GLN 23 12.158 13.721 6.334 225 HE22 GLN 23 2HE2 GLN 23 11.255 13.050 7.645 226 H GLN 24 H GLN 24 10.621 11.195 0.487 227 HA GLN 24 HA GLN 24 11.060 9.221 -0.572 228 HB2 GLN 24 2HB GLN 24 13.808 10.432 -0.369 229 HB3 GLN 24 1HB GLN 24 13.552 8.879 -1.149 230 HG2 GLN 24 2HG GLN 24 12.369 9.798 -2.904 231 HG3 GLN 24 1HG GLN 24 11.921 11.234 -1.987 232 HE21 GLN 24 1HE2 GLN 24 12.697 12.828 -3.236 233 HE22 GLN 24 2HE2 GLN 24 14.351 13.001 -3.704 234 HA PRO 25 HA PRO 25 12.179 7.016 3.312 235 HB2 PRO 25 2HB PRO 25 9.927 5.614 3.642 236 HB3 PRO 25 1HB PRO 25 9.997 7.334 4.048 237 HG2 PRO 25 2HG PRO 25 8.892 6.013 1.596 238 HG3 PRO 25 1HG PRO 25 8.204 7.331 2.560 239 HD2 PRO 25 2HD PRO 25 9.608 7.697 0.222 240 HD3 PRO 25 1HD PRO 25 9.460 8.925 1.495 241 HA PRO 26 HA PRO 26 13.388 3.174 1.474 242 HB2 PRO 26 2HB PRO 26 12.812 1.612 3.876 243 HB3 PRO 26 1HB PRO 26 14.376 2.086 3.208 244 HG2 PRO 26 2HG PRO 26 13.392 3.102 5.526 245 HG3 PRO 26 1HG PRO 26 14.467 4.016 4.450 246 HD2 PRO 26 2HD PRO 26 11.485 4.175 4.732 247 HD3 PRO 26 1HD PRO 26 12.675 5.482 4.561 248 H ASP 27 H ASP 27 10.327 3.099 3.230 249 HA ASP 27 HA ASP 27 9.290 1.189 1.246 250 HB2 ASP 27 2HB ASP 27 7.847 0.312 3.231 251 HB3 ASP 27 1HB ASP 27 9.509 -0.246 3.070 252 H LEU 28 H LEU 28 7.261 1.526 0.548 253 HA LEU 28 HA LEU 28 6.113 4.133 1.081 254 HB2 LEU 28 2HB LEU 28 5.162 1.974 -0.799 255 HB3 LEU 28 1HB LEU 28 4.651 3.652 -0.794 256 HG LEU 28 HG LEU 28 7.549 3.019 -1.215 257 HD11 LEU 28 1HD1 LEU 28 5.370 2.717 -3.263 258 HD12 LEU 28 2HD1 LEU 28 6.597 1.543 -2.795 259 HD13 LEU 28 3HD1 LEU 28 7.058 2.992 -3.687 260 HD21 LEU 28 3HD2 LEU 28 7.422 5.054 -2.594 261 HD22 LEU 28 1HD2 LEU 28 6.911 5.335 -0.930 262 HD23 LEU 28 2HD2 LEU 28 5.706 5.188 -2.210 263 H VAL 29 H VAL 29 5.428 0.774 1.754 264 HA VAL 29 HA VAL 29 2.710 1.151 2.528 265 HB VAL 29 HB VAL 29 3.695 -1.037 1.808 266 HG11 VAL 29 1HG1 VAL 29 4.793 -1.193 4.609 267 HG12 VAL 29 2HG1 VAL 29 5.767 -0.823 3.187 268 HG13 VAL 29 3HG1 VAL 29 4.955 -2.381 3.318 269 HG21 VAL 29 3HG2 VAL 29 2.062 -0.719 4.293 270 HG22 VAL 29 1HG2 VAL 29 2.532 -2.334 3.764 271 HG23 VAL 29 2HG2 VAL 29 1.585 -1.297 2.699 272 H GLU 30 H GLU 30 5.774 1.000 4.302 273 HA GLU 30 HA GLU 30 4.592 1.148 6.885 274 HB2 GLU 30 2HB GLU 30 6.991 0.392 6.153 275 HB3 GLU 30 1HB GLU 30 7.383 2.097 6.312 276 HG2 GLU 30 2HG GLU 30 6.109 0.516 8.524 277 HG3 GLU 30 1HG GLU 30 7.855 0.632 8.313 278 H PHE 31 H PHE 31 6.368 3.556 4.956 279 HA PHE 31 HA PHE 31 6.073 5.756 6.582 280 HB2 PHE 31 2HB PHE 31 7.425 5.614 4.486 281 HB3 PHE 31 1HB PHE 31 5.933 5.797 3.569 282 HD1 PHE 31 2HD PHE 31 7.757 7.465 6.362 283 HD2 PHE 31 1HD PHE 31 5.392 7.911 2.852 284 HE1 PHE 31 2HE PHE 31 7.980 9.908 6.533 285 HE2 PHE 31 1HE PHE 31 5.613 10.364 3.019 286 HZ PHE 31 HZ PHE 31 6.905 11.361 4.860 287 H ALA 32 H ALA 32 3.658 4.198 4.648 288 HA ALA 32 HA ALA 32 1.841 6.383 4.520 289 HB1 ALA 32 1HB ALA 32 0.225 4.725 3.763 290 HB2 ALA 32 2HB ALA 32 1.348 3.436 4.200 291 HB3 ALA 32 3HB ALA 32 1.768 4.579 2.921 292 H VAL 33 H VAL 33 2.192 3.637 6.734 293 HA VAL 33 HA VAL 33 -0.140 4.207 8.266 294 HB VAL 33 HB VAL 33 2.403 2.772 9.078 295 HG11 VAL 33 1HG1 VAL 33 -0.312 2.834 10.377 296 HG12 VAL 33 2HG1 VAL 33 1.203 3.444 11.045 297 HG13 VAL 33 3HG1 VAL 33 0.977 1.712 10.806 298 HG21 VAL 33 3HG2 VAL 33 -0.193 1.735 7.957 299 HG22 VAL 33 1HG2 VAL 33 1.071 0.718 8.649 300 HG23 VAL 33 2HG2 VAL 33 1.399 1.669 7.200 301 H GLU 34 H GLU 34 3.328 4.757 8.978 302 HA GLU 34 HA GLU 34 3.063 6.270 11.252 303 HB2 GLU 34 2HB GLU 34 5.086 6.767 9.061 304 HB3 GLU 34 1HB GLU 34 5.241 7.230 10.750 305 HG2 GLU 34 2HG GLU 34 5.026 4.723 11.253 306 HG3 GLU 34 1HG GLU 34 5.351 4.494 9.536 307 H TYR 35 H TYR 35 2.590 7.274 7.929 308 HA TYR 35 HA TYR 35 2.420 10.082 8.529 309 HB2 TYR 35 2HB TYR 35 3.196 9.450 6.352 310 HB3 TYR 35 1HB TYR 35 1.765 8.471 6.062 311 HD1 TYR 35 2HD TYR 35 -0.489 9.676 5.883 312 HD2 TYR 35 1HD TYR 35 3.245 11.711 5.691 313 HE1 TYR 35 2HE TYR 35 -1.590 11.583 4.796 314 HE2 TYR 35 1HE TYR 35 2.150 13.625 4.593 315 HH TYR 35 HH TYR 35 -0.087 14.605 4.410 316 H PHE 36 H PHE 36 0.022 7.576 7.658 317 HA PHE 36 HA PHE 36 -2.180 9.376 7.866 318 HB2 PHE 36 2HB PHE 36 -1.833 6.469 7.367 319 HB3 PHE 36 1HB PHE 36 -3.390 6.968 8.015 320 HD1 PHE 36 1HD PHE 36 -4.695 8.745 6.791 321 HD2 PHE 36 2HD PHE 36 -1.338 6.763 5.081 322 HE1 PHE 36 1HE PHE 36 -5.436 9.428 4.547 323 HE2 PHE 36 2HE PHE 36 -2.074 7.444 2.836 324 HZ PHE 36 HZ PHE 36 -4.127 8.780 2.566 325 H THR 37 H THR 37 -0.982 6.785 10.011 326 HA THR 37 HA THR 37 -2.930 6.943 11.965 327 HB THR 37 HB THR 37 -1.157 6.141 13.552 328 HG1 THR 37 1HG THR 37 0.463 6.663 11.302 329 HG21 THR 37 3HG2 THR 37 -1.367 4.777 10.890 330 HG22 THR 37 1HG2 THR 37 -2.309 4.462 12.346 331 HG23 THR 37 2HG2 THR 37 -0.593 4.066 12.308 332 H ARG 38 H ARG 38 0.133 8.764 11.839 333 HA ARG 38 HA ARG 38 -0.188 10.249 14.160 334 HB2 ARG 38 2HB ARG 38 1.187 10.893 11.556 335 HB3 ARG 38 1HB ARG 38 1.243 11.986 12.931 336 HG2 ARG 38 2HG ARG 38 2.065 9.124 13.244 337 HG3 ARG 38 1HG ARG 38 3.177 10.307 12.552 338 HD2 ARG 38 2HD ARG 38 1.831 10.532 15.244 339 HD3 ARG 38 1HD ARG 38 3.499 10.031 14.973 340 HE ARG 38 HE ARG 38 3.223 12.490 13.749 341 HH11 ARG 38 1HH1 ARG 38 2.932 11.208 16.982 342 HH12 ARG 38 2HH1 ARG 38 3.400 12.689 17.746 343 HH21 ARG 38 1HH2 ARG 38 3.839 14.440 14.754 344 HH22 ARG 38 2HH2 ARG 38 3.914 14.524 16.481 345 H LEU 39 H LEU 39 -1.114 11.173 10.846 346 HA LEU 39 HA LEU 39 -2.203 13.634 11.305 347 HB2 LEU 39 2HB LEU 39 -2.059 11.964 9.157 348 HB3 LEU 39 1HB LEU 39 -3.781 11.929 9.477 349 HG LEU 39 HG LEU 39 -3.485 14.557 9.524 350 HD11 LEU 39 1HD1 LEU 39 -1.294 13.747 7.628 351 HD12 LEU 39 2HD1 LEU 39 -1.015 14.390 9.246 352 HD13 LEU 39 3HD1 LEU 39 -1.818 15.382 8.029 353 HD21 LEU 39 3HD2 LEU 39 -3.573 12.925 6.990 354 HD22 LEU 39 1HD2 LEU 39 -4.064 14.612 7.139 355 HD23 LEU 39 2HD2 LEU 39 -4.951 13.356 8.004 356 H ARG 40 H ARG 40 -4.047 10.568 11.365 357 HA ARG 40 HA ARG 40 -6.411 11.776 12.319 358 HB2 ARG 40 2HB ARG 40 -5.558 9.143 11.519 359 HB3 ARG 40 1HB ARG 40 -6.453 9.032 13.028 360 HG2 ARG 40 2HG ARG 40 -7.474 10.530 10.649 361 HG3 ARG 40 1HG ARG 40 -7.807 8.822 10.914 362 HD2 ARG 40 2HD ARG 40 -8.371 10.900 12.986 363 HD3 ARG 40 1HD ARG 40 -9.514 10.564 11.684 364 HE ARG 40 HE ARG 40 -8.723 8.173 12.971 365 HH11 ARG 40 1HH1 ARG 40 -10.755 10.975 13.410 366 HH12 ARG 40 2HH1 ARG 40 -11.870 10.159 14.454 367 HH21 ARG 40 1HH2 ARG 40 -10.188 7.097 14.345 368 HH22 ARG 40 2HH2 ARG 40 -11.548 7.957 14.985 369 H GLU 41 H GLU 41 -3.953 9.768 13.941 370 HA GLU 41 HA GLU 41 -5.061 9.833 16.500 371 HB2 GLU 41 2HB GLU 41 -2.179 9.580 15.636 372 HB3 GLU 41 1HB GLU 41 -2.734 9.319 17.283 373 HG2 GLU 41 2HG GLU 41 -3.860 7.785 14.965 374 HG3 GLU 41 1HG GLU 41 -2.403 7.270 15.813 375 H ALA 42 H ALA 42 -3.481 12.327 14.746 376 HA ALA 42 HA ALA 42 -2.263 13.851 16.693 377 HB1 ALA 42 1HB ALA 42 -2.217 14.378 14.293 378 HB2 ALA 42 2HB ALA 42 -2.654 15.778 15.271 379 HB3 ALA 42 3HB ALA 42 -3.899 14.898 14.386 380 H ARG 43 H ARG 43 -5.669 14.010 15.673 381 HA ARG 43 HA ARG 43 -6.447 15.926 17.586 382 HB2 ARG 43 2HB ARG 43 -7.815 14.090 15.705 383 HB3 ARG 43 1HB ARG 43 -8.776 14.620 17.076 384 HG2 ARG 43 2HG ARG 43 -7.334 16.480 15.202 385 HG3 ARG 43 1HG ARG 43 -9.026 16.010 15.032 386 HD2 ARG 43 2HD ARG 43 -7.731 17.712 17.129 387 HD3 ARG 43 1HD ARG 43 -9.164 18.039 16.161 388 HE ARG 43 HE ARG 43 -9.051 16.670 18.676 389 HH11 ARG 43 1HH1 ARG 43 -10.854 16.942 15.692 390 HH12 ARG 43 2HH1 ARG 43 -12.337 16.395 16.398 391 HH21 ARG 43 1HH2 ARG 43 -11.001 15.951 19.596 392 HH22 ARG 43 2HH2 ARG 43 -12.421 15.833 18.611 393 H ALA 44 H ALA 44 -6.574 15.723 19.715 394 HA ALA 44 HA ALA 44 -6.665 14.808 21.801 395 HB1 ALA 44 1HB ALA 44 -8.689 12.907 20.649 396 HB2 ALA 44 2HB ALA 44 -9.034 14.617 20.910 397 HB3 ALA 44 3HB ALA 44 -8.616 13.581 22.277 398 H1 GLY -7 1HT GLY -7 15.948 33.610 -18.024 399 H2 GLY -7 2HT GLY -7 15.203 33.898 -16.533 400 H3 GLY -7 3HT GLY -7 15.550 35.190 -17.569 401 HA2 GLY -7 1HA GLY -7 13.178 34.578 -17.579 402 HA3 GLY -7 2HA GLY -7 13.943 34.472 -19.157 403 H ALA -6 H ALA -6 11.568 33.098 -17.997 404 HA ALA -6 HA ALA -6 10.570 31.057 -18.106 405 HB1 ALA -6 1HB ALA -6 11.665 31.129 -20.373 406 HB2 ALA -6 2HB ALA -6 11.314 29.518 -19.748 407 HB3 ALA -6 3HB ALA -6 12.962 30.145 -19.692 408 H MET -5 H MET -5 10.581 28.955 -17.177 409 HA MET -5 HA MET -5 12.389 28.716 -14.947 410 HB2 MET -5 2HB MET -5 10.093 27.005 -15.907 411 HB3 MET -5 1HB MET -5 11.036 26.638 -14.469 412 HG2 MET -5 2HG MET -5 9.153 27.734 -13.660 413 HG3 MET -5 1HG MET -5 10.409 28.971 -13.663 414 HE1 MET -5 3HE MET -5 6.950 29.418 -13.739 415 HE2 MET -5 1HE MET -5 7.031 27.896 -14.626 416 HE3 MET -5 2HE MET -5 6.363 29.333 -15.400 417 H GLY -4 H GLY -4 11.600 26.683 -17.768 418 HA2 GLY -4 2HA GLY -4 12.949 25.270 -18.993 419 HA3 GLY -4 1HA GLY -4 14.329 25.886 -18.097 420 H SER -3 H SER -3 11.423 24.272 -16.868 421 HA SER -3 HA SER -3 11.145 22.412 -15.589 422 HB2 SER -3 2HB SER -3 11.971 21.352 -17.713 423 HB3 SER -3 1HB SER -3 13.592 21.355 -17.020 424 HG SER -3 HG SER -3 12.562 20.158 -15.218 425 H MET -2 H MET -2 11.575 23.259 -13.575 426 HA MET -2 HA MET -2 14.338 23.146 -12.581 427 HB2 MET -2 2HB MET -2 13.454 24.460 -10.664 428 HB3 MET -2 1HB MET -2 13.264 25.267 -12.214 429 HG2 MET -2 2HG MET -2 10.945 24.812 -12.273 430 HG3 MET -2 1HG MET -2 11.062 23.688 -10.921 431 HE1 MET -2 3HE MET -2 11.534 27.124 -12.220 432 HE2 MET -2 1HE MET -2 12.617 27.633 -10.925 433 HE3 MET -2 2HE MET -2 10.948 28.204 -10.955 434 H SER -1 H SER -1 11.173 21.735 -12.159 435 HA SER -1 HA SER -1 11.947 20.309 -9.746 436 HB2 SER -1 2HB SER -1 9.729 20.158 -9.388 437 HB3 SER -1 1HB SER -1 9.496 21.141 -10.831 438 HG SER -1 HG SER -1 9.152 19.336 -12.018 439 H HIS 2 H HIS 2 13.259 18.607 -9.967 440 HA HIS 2 HA HIS 2 12.952 16.857 -12.317 441 HB2 HIS 2 2HB HIS 2 15.216 16.138 -11.951 442 HB3 HIS 2 1HB HIS 2 15.192 17.897 -11.918 443 HD1 HIS 2 1HD HIS 2 17.576 16.760 -10.650 444 HD2 HIS 2 2HD HIS 2 14.027 17.198 -8.534 445 HE1 HIS 2 1HE HIS 2 18.237 16.784 -8.225 446 HE2 HIS 2 2HE HIS 2 16.063 16.952 -6.963 447 H ILE 3 H ILE 3 11.292 16.846 -9.845 448 HA ILE 3 HA ILE 3 12.021 14.487 -8.386 449 HB ILE 3 HB ILE 3 9.399 15.985 -8.417 450 HG12 ILE 3 2HG1 ILE 3 10.366 16.706 -6.089 451 HG13 ILE 3 1HG1 ILE 3 11.919 16.275 -6.794 452 HG21 ILE 3 1HG2 ILE 3 10.454 13.755 -6.710 453 HG22 ILE 3 2HG2 ILE 3 8.921 13.857 -7.577 454 HG23 ILE 3 3HG2 ILE 3 9.189 14.839 -6.138 455 HD11 ILE 3 3HD1 ILE 3 10.151 18.113 -8.320 456 HD12 ILE 3 1HD1 ILE 3 11.911 18.051 -8.217 457 HD13 ILE 3 2HD1 ILE 3 10.974 18.726 -6.887 458 H GLN 4 H GLN 4 10.914 12.487 -8.383 459 HA GLN 4 HA GLN 4 9.025 11.960 -10.545 460 HB2 GLN 4 2HB GLN 4 11.648 10.493 -10.228 461 HB3 GLN 4 1HB GLN 4 10.316 9.926 -11.228 462 HG2 GLN 4 2HG GLN 4 10.511 12.253 -12.362 463 HG3 GLN 4 1HG GLN 4 12.115 12.279 -11.631 464 HE21 GLN 4 1HE2 GLN 4 12.684 9.531 -11.847 465 HE22 GLN 4 2HE2 GLN 4 12.906 9.157 -13.519 466 H ILE 5 H ILE 5 7.651 10.235 -10.160 467 HA ILE 5 HA ILE 5 7.338 9.507 -7.418 468 HB ILE 5 HB ILE 5 5.848 8.737 -9.915 469 HG12 ILE 5 2HG1 ILE 5 3.993 9.904 -8.489 470 HG13 ILE 5 1HG1 ILE 5 5.339 10.552 -7.564 471 HG21 ILE 5 1HG2 ILE 5 5.584 6.785 -8.670 472 HG22 ILE 5 2HG2 ILE 5 4.167 7.738 -8.234 473 HG23 ILE 5 3HG2 ILE 5 5.546 7.658 -7.138 474 HD11 ILE 5 3HD1 ILE 5 4.363 11.967 -9.449 475 HD12 ILE 5 1HD1 ILE 5 5.204 10.863 -10.538 476 HD13 ILE 5 2HD1 ILE 5 6.118 11.805 -9.360 477 HA PRO 6 HA PRO 6 10.211 6.011 -7.507 478 HB2 PRO 6 2HB PRO 6 8.481 5.256 -5.181 479 HB3 PRO 6 1HB PRO 6 10.242 5.270 -5.311 480 HG2 PRO 6 2HG PRO 6 8.957 7.198 -4.000 481 HG3 PRO 6 1HG PRO 6 10.384 7.557 -4.991 482 HD2 PRO 6 2HD PRO 6 7.508 8.097 -5.545 483 HD3 PRO 6 1HD PRO 6 8.950 9.009 -6.032 484 HA PRO 7 HA PRO 7 7.697 2.825 -9.318 485 HB2 PRO 7 2HB PRO 7 9.223 0.646 -9.072 486 HB3 PRO 7 1HB PRO 7 9.755 2.025 -10.044 487 HG2 PRO 7 2HG PRO 7 10.544 1.259 -7.259 488 HG3 PRO 7 1HG PRO 7 11.564 1.829 -8.593 489 HD2 PRO 7 2HD PRO 7 10.634 3.435 -6.552 490 HD3 PRO 7 1HD PRO 7 11.105 4.029 -8.155 491 H GLY 8 H GLY 8 5.836 2.548 -8.151 492 HA2 GLY 8 2HA GLY 8 4.804 0.457 -7.104 493 HA3 GLY 8 1HA GLY 8 5.931 0.762 -5.793 494 H LEU 9 H LEU 9 5.677 3.623 -5.856 495 HA LEU 9 HA LEU 9 3.717 4.085 -3.987 496 HB2 LEU 9 2HB LEU 9 5.627 5.595 -4.873 497 HB3 LEU 9 1HB LEU 9 4.435 6.175 -6.015 498 HG LEU 9 HG LEU 9 3.807 6.232 -3.085 499 HD11 LEU 9 1HD1 LEU 9 5.284 8.443 -4.499 500 HD12 LEU 9 2HD1 LEU 9 6.062 7.275 -3.430 501 HD13 LEU 9 3HD1 LEU 9 4.826 8.361 -2.799 502 HD21 LEU 9 3HD2 LEU 9 2.009 6.746 -4.606 503 HD22 LEU 9 1HD2 LEU 9 3.007 7.932 -5.444 504 HD23 LEU 9 2HD2 LEU 9 2.507 8.219 -3.778 505 H THR 10 H THR 10 3.444 4.499 -7.512 506 HA THR 10 HA THR 10 0.850 5.491 -7.598 507 HB THR 10 HB THR 10 1.908 3.526 -9.627 508 HG1 THR 10 1HG THR 10 3.576 4.903 -9.454 509 HG21 THR 10 3HG2 THR 10 0.629 4.637 -11.208 510 HG22 THR 10 1HG2 THR 10 0.441 6.068 -10.197 511 HG23 THR 10 2HG2 THR 10 -0.432 4.590 -9.800 512 H GLU 11 H GLU 11 1.960 2.125 -7.595 513 HA GLU 11 HA GLU 11 -0.581 0.932 -7.757 514 HB2 GLU 11 2HB GLU 11 1.702 -0.140 -8.141 515 HB3 GLU 11 1HB GLU 11 1.814 -0.289 -6.392 516 HG2 GLU 11 2HG GLU 11 1.035 -2.362 -7.183 517 HG3 GLU 11 1HG GLU 11 -0.363 -1.551 -6.476 518 H LEU 12 H LEU 12 1.355 1.987 -4.990 519 HA LEU 12 HA LEU 12 -0.205 0.775 -2.986 520 HB2 LEU 12 2HB LEU 12 1.761 3.010 -3.079 521 HB3 LEU 12 1HB LEU 12 0.730 2.913 -1.666 522 HG LEU 12 HG LEU 12 2.844 1.825 -1.230 523 HD11 LEU 12 1HD1 LEU 12 2.023 -0.027 -0.168 524 HD12 LEU 12 2HD1 LEU 12 1.007 -0.503 -1.527 525 HD13 LEU 12 3HD1 LEU 12 0.522 0.838 -0.489 526 HD21 LEU 12 3HD2 LEU 12 2.188 0.175 -3.661 527 HD22 LEU 12 1HD2 LEU 12 3.426 -0.267 -2.485 528 HD23 LEU 12 2HD2 LEU 12 3.580 1.228 -3.407 529 H LEU 13 H LEU 13 -0.351 4.039 -4.396 530 HA LEU 13 HA LEU 13 -2.602 4.885 -2.886 531 HB2 LEU 13 2HB LEU 13 -1.244 5.824 -5.387 532 HB3 LEU 13 1HB LEU 13 -2.811 6.491 -4.972 533 HG LEU 13 HG LEU 13 -1.989 7.491 -2.994 534 HD11 LEU 13 1HD1 LEU 13 0.452 7.154 -2.335 535 HD12 LEU 13 2HD1 LEU 13 0.407 5.724 -3.364 536 HD13 LEU 13 3HD1 LEU 13 -0.674 5.845 -1.979 537 HD21 LEU 13 3HD2 LEU 13 0.000 7.781 -5.240 538 HD22 LEU 13 1HD2 LEU 13 -0.038 8.830 -3.822 539 HD23 LEU 13 2HD2 LEU 13 -1.418 8.779 -4.918 540 H GLN 14 H GLN 14 -2.155 3.019 -5.769 541 HA GLN 14 HA GLN 14 -4.787 3.203 -6.810 542 HB2 GLN 14 2HB GLN 14 -2.682 2.432 -8.019 543 HB3 GLN 14 1HB GLN 14 -2.883 0.896 -7.191 544 HG2 GLN 14 2HG GLN 14 -5.347 1.187 -8.242 545 HG3 GLN 14 1HG GLN 14 -4.386 2.052 -9.443 546 HE21 GLN 14 1HE2 GLN 14 -3.222 0.919 -10.875 547 HE22 GLN 14 2HE2 GLN 14 -3.080 -0.801 -10.892 548 H GLY 15 H GLY 15 -3.168 0.880 -4.682 549 HA2 GLY 15 2HA GLY 15 -5.214 -1.010 -4.503 550 HA3 GLY 15 1HA GLY 15 -3.988 -0.730 -3.279 551 H TYR 16 H TYR 16 -4.830 2.048 -2.835 552 HA TYR 16 HA TYR 16 -6.880 1.499 -0.893 553 HB2 TYR 16 2HB TYR 16 -4.991 3.009 -0.409 554 HB3 TYR 16 1HB TYR 16 -5.570 4.118 -1.646 555 HD1 TYR 16 2HD TYR 16 -6.930 2.342 1.358 556 HD2 TYR 16 1HD TYR 16 -6.755 5.958 -0.882 557 HE1 TYR 16 2HE TYR 16 -8.347 3.447 3.043 558 HE2 TYR 16 1HE TYR 16 -8.167 7.070 0.793 559 HH TYR 16 HH TYR 16 -10.000 6.116 2.581 560 H THR 17 H THR 17 -6.644 3.603 -3.764 561 HA THR 17 HA THR 17 -9.159 4.740 -3.682 562 HB THR 17 HB THR 17 -8.934 4.662 -6.290 563 HG1 THR 17 1HG THR 17 -6.281 3.996 -5.595 564 HG21 THR 17 3HG2 THR 17 -6.941 6.277 -6.185 565 HG22 THR 17 1HG2 THR 17 -7.102 6.114 -4.436 566 HG23 THR 17 2HG2 THR 17 -8.451 6.728 -5.394 567 H VAL 18 H VAL 18 -8.282 1.827 -5.560 568 HA VAL 18 HA VAL 18 -10.697 1.158 -6.584 569 HB VAL 18 HB VAL 18 -10.002 -1.190 -6.604 570 HG11 VAL 18 1HG1 VAL 18 -7.784 -0.866 -7.749 571 HG12 VAL 18 2HG1 VAL 18 -7.871 0.829 -7.278 572 HG13 VAL 18 3HG1 VAL 18 -9.097 0.148 -8.344 573 HG21 VAL 18 3HG2 VAL 18 -7.880 -0.238 -4.699 574 HG22 VAL 18 1HG2 VAL 18 -7.743 -1.741 -5.612 575 HG23 VAL 18 2HG2 VAL 18 -9.063 -1.525 -4.463 576 H GLU 19 H GLU 19 -9.641 0.405 -3.276 577 HA GLU 19 HA GLU 19 -12.051 -1.082 -2.721 578 HB2 GLU 19 2HB GLU 19 -11.228 -1.179 -0.403 579 HB3 GLU 19 1HB GLU 19 -10.028 -1.723 -1.566 580 HG2 GLU 19 2HG GLU 19 -8.729 0.200 -1.300 581 HG3 GLU 19 1HG GLU 19 -10.037 1.081 -0.516 582 H VAL 20 H VAL 20 -10.912 2.197 -2.234 583 HA VAL 20 HA VAL 20 -12.874 3.042 -0.400 584 HB VAL 20 HB VAL 20 -11.237 4.540 -2.445 585 HG11 VAL 20 1HG1 VAL 20 -13.371 5.618 -0.624 586 HG12 VAL 20 2HG1 VAL 20 -13.142 5.908 -2.348 587 HG13 VAL 20 3HG1 VAL 20 -12.032 6.622 -1.179 588 HG21 VAL 20 3HG2 VAL 20 -11.165 4.775 0.551 589 HG22 VAL 20 1HG2 VAL 20 -9.944 5.270 -0.621 590 HG23 VAL 20 2HG2 VAL 20 -10.234 3.558 -0.320 591 H LEU 21 H LEU 21 -12.754 3.303 -3.940 592 HA LEU 21 HA LEU 21 -15.231 4.485 -4.343 593 HB2 LEU 21 2HB LEU 21 -13.592 2.614 -6.030 594 HB3 LEU 21 1HB LEU 21 -15.151 3.184 -6.584 595 HG LEU 21 HG LEU 21 -13.555 4.565 -7.618 596 HD11 LEU 21 1HD1 LEU 21 -14.244 6.671 -7.042 597 HD12 LEU 21 2HD1 LEU 21 -14.266 6.324 -5.313 598 HD13 LEU 21 3HD1 LEU 21 -15.531 5.676 -6.362 599 HD21 LEU 21 3HD2 LEU 21 -12.277 5.008 -4.927 600 HD22 LEU 21 1HD2 LEU 21 -11.782 5.743 -6.450 601 HD23 LEU 21 2HD2 LEU 21 -11.639 4.001 -6.228 602 H ARG 22 H ARG 22 -14.435 1.023 -4.311 603 HA ARG 22 HA ARG 22 -17.081 0.121 -4.697 604 HB2 ARG 22 2HB ARG 22 -14.905 -1.124 -5.113 605 HB3 ARG 22 1HB ARG 22 -14.863 -1.435 -3.385 606 HG2 ARG 22 2HG ARG 22 -15.871 -3.353 -4.089 607 HG3 ARG 22 1HG ARG 22 -17.301 -2.356 -3.834 608 HD2 ARG 22 2HD ARG 22 -15.893 -2.676 -6.476 609 HD3 ARG 22 1HD ARG 22 -17.301 -3.612 -5.985 610 HE ARG 22 HE ARG 22 -17.268 -0.917 -6.942 611 HH11 ARG 22 1HH1 ARG 22 -19.002 -3.149 -4.886 612 HH12 ARG 22 2HH1 ARG 22 -20.507 -2.306 -5.035 613 HH21 ARG 22 1HH2 ARG 22 -19.249 0.185 -7.135 614 HH22 ARG 22 2HH2 ARG 22 -20.647 -0.417 -6.310 615 H GLN 23 H GLN 23 -15.429 1.113 -1.774 616 HA GLN 23 HA GLN 23 -17.559 -0.140 -0.157 617 HB2 GLN 23 2HB GLN 23 -15.083 -0.605 0.302 618 HB3 GLN 23 1HB GLN 23 -15.012 1.034 0.934 619 HG2 GLN 23 2HG GLN 23 -16.571 0.530 2.652 620 HG3 GLN 23 1HG GLN 23 -16.960 -1.030 1.927 621 HE21 GLN 23 1HE2 GLN 23 -14.793 -2.335 1.528 622 HE22 GLN 23 2HE2 GLN 23 -13.799 -2.477 2.934 623 H GLN 24 H GLN 24 -15.789 2.908 -0.531 624 HA GLN 24 HA GLN 24 -16.352 5.052 -0.071 625 HB2 GLN 24 2HB GLN 24 -19.190 4.042 0.179 626 HB3 GLN 24 1HB GLN 24 -18.688 5.707 -0.069 627 HG2 GLN 24 2HG GLN 24 -18.032 3.539 -2.036 628 HG3 GLN 24 1HG GLN 24 -19.553 4.428 -2.086 629 HE21 GLN 24 1HE2 GLN 24 -17.781 4.456 -4.194 630 HE22 GLN 24 2HE2 GLN 24 -17.106 6.038 -4.353 631 HA PRO 25 HA PRO 25 -16.488 4.193 4.437 632 HB2 PRO 25 2HB PRO 25 -14.126 5.193 5.121 633 HB3 PRO 25 1HB PRO 25 -14.221 3.661 4.242 634 HG2 PRO 25 2HG PRO 25 -13.645 6.408 3.187 635 HG3 PRO 25 1HG PRO 25 -12.806 4.888 2.841 636 HD2 PRO 25 2HD PRO 25 -14.746 5.985 1.223 637 HD3 PRO 25 1HD PRO 25 -14.353 4.255 1.268 638 HA PRO 26 HA PRO 26 -17.781 8.200 5.825 639 HB2 PRO 26 2HB PRO 26 -16.645 7.799 8.495 640 HB3 PRO 26 1HB PRO 26 -18.340 7.826 8.000 641 HG2 PRO 26 2HG PRO 26 -17.087 5.566 8.819 642 HG3 PRO 26 1HG PRO 26 -18.405 5.559 7.633 643 HD2 PRO 26 2HD PRO 26 -15.447 5.369 7.181 644 HD3 PRO 26 1HD PRO 26 -16.769 4.474 6.404 645 H ASP 27 H ASP 27 -14.505 7.264 6.805 646 HA ASP 27 HA ASP 27 -13.593 10.001 6.216 647 HB2 ASP 27 2HB ASP 27 -13.138 8.386 8.701 648 HB3 ASP 27 1HB ASP 27 -11.874 9.485 8.154 649 H LEU 28 H LEU 28 -11.867 10.106 4.939 650 HA LEU 28 HA LEU 28 -10.820 7.685 3.823 651 HB2 LEU 28 2HB LEU 28 -10.037 10.561 3.374 652 HB3 LEU 28 1HB LEU 28 -9.477 9.205 2.413 653 HG LEU 28 HG LEU 28 -12.405 9.859 2.663 654 HD11 LEU 28 1HD1 LEU 28 -12.115 10.982 0.421 655 HD12 LEU 28 2HD1 LEU 28 -10.384 11.008 0.755 656 HD13 LEU 28 3HD1 LEU 28 -11.500 11.871 1.814 657 HD21 LEU 28 3HD2 LEU 28 -12.460 8.688 0.459 658 HD22 LEU 28 1HD2 LEU 28 -11.970 7.668 1.810 659 HD23 LEU 28 2HD2 LEU 28 -10.758 8.286 0.688 660 H VAL 29 H VAL 29 -9.838 9.869 6.315 661 HA VAL 29 HA VAL 29 -7.050 9.306 6.245 662 HB VAL 29 HB VAL 29 -8.545 10.149 8.721 663 HG11 VAL 29 1HG1 VAL 29 -5.741 10.618 7.711 664 HG12 VAL 29 2HG1 VAL 29 -6.229 9.624 9.085 665 HG13 VAL 29 3HG1 VAL 29 -6.419 11.379 9.153 666 HG21 VAL 29 3HG2 VAL 29 -8.048 12.508 7.941 667 HG22 VAL 29 1HG2 VAL 29 -9.364 11.674 7.121 668 HG23 VAL 29 2HG2 VAL 29 -7.791 11.820 6.337 669 H GLU 30 H GLU 30 -9.605 8.202 8.488 670 HA GLU 30 HA GLU 30 -7.944 6.325 9.793 671 HB2 GLU 30 2HB GLU 30 -9.961 5.519 10.864 672 HB3 GLU 30 1HB GLU 30 -9.968 7.275 10.816 673 HG2 GLU 30 2HG GLU 30 -12.131 6.791 10.230 674 HG3 GLU 30 1HG GLU 30 -11.368 6.950 8.650 675 H PHE 31 H PHE 31 -10.341 5.943 7.177 676 HA PHE 31 HA PHE 31 -10.283 3.167 7.005 677 HB2 PHE 31 2HB PHE 31 -11.864 4.641 5.778 678 HB3 PHE 31 1HB PHE 31 -10.552 5.086 4.690 679 HD1 PHE 31 2HD PHE 31 -12.034 1.953 6.083 680 HD2 PHE 31 1HD PHE 31 -10.548 4.001 2.664 681 HE1 PHE 31 2HE PHE 31 -12.546 -0.008 4.691 682 HE2 PHE 31 1HE PHE 31 -11.061 2.045 1.265 683 HZ PHE 31 HZ PHE 31 -12.061 0.036 2.278 684 H ALA 32 H ALA 32 -7.930 5.500 5.989 685 HA ALA 32 HA ALA 32 -6.489 3.706 4.268 686 HB1 ALA 32 1HB ALA 32 -6.441 6.101 3.879 687 HB2 ALA 32 2HB ALA 32 -4.815 5.482 4.178 688 HB3 ALA 32 3HB ALA 32 -5.674 6.353 5.449 689 H VAL 33 H VAL 33 -6.296 4.700 7.633 690 HA VAL 33 HA VAL 33 -3.757 3.695 8.242 691 HB VAL 33 HB VAL 33 -6.213 3.899 9.995 692 HG11 VAL 33 1HG1 VAL 33 -3.368 3.205 10.686 693 HG12 VAL 33 2HG1 VAL 33 -4.839 2.315 11.080 694 HG13 VAL 33 3HG1 VAL 33 -4.502 3.853 11.872 695 HG21 VAL 33 3HG2 VAL 33 -5.278 6.007 9.021 696 HG22 VAL 33 1HG2 VAL 33 -3.780 5.674 9.893 697 HG23 VAL 33 2HG2 VAL 33 -5.278 5.949 10.783 698 H GLU 34 H GLU 34 -6.925 2.128 8.704 699 HA GLU 34 HA GLU 34 -5.983 -0.366 9.503 700 HB2 GLU 34 2HB GLU 34 -8.191 -1.224 8.877 701 HB3 GLU 34 1HB GLU 34 -8.318 0.302 9.742 702 HG2 GLU 34 2HG GLU 34 -8.658 1.475 7.629 703 HG3 GLU 34 1HG GLU 34 -8.523 -0.052 6.759 704 H TYR 35 H TYR 35 -6.398 0.991 6.297 705 HA TYR 35 HA TYR 35 -6.072 -1.454 4.873 706 HB2 TYR 35 2HB TYR 35 -7.178 0.526 3.904 707 HB3 TYR 35 1HB TYR 35 -5.639 1.382 3.920 708 HD1 TYR 35 2HD TYR 35 -7.288 -1.660 2.539 709 HD2 TYR 35 1HD TYR 35 -4.215 1.243 2.064 710 HE1 TYR 35 2HE TYR 35 -6.786 -2.565 0.306 711 HE2 TYR 35 1HE TYR 35 -3.702 0.343 -0.165 712 HH TYR 35 HH TYR 35 -4.740 -2.612 -1.238 713 H PHE 36 H PHE 36 -3.848 1.263 5.521 714 HA PHE 36 HA PHE 36 -1.630 0.001 4.265 715 HB2 PHE 36 2HB PHE 36 -1.951 2.397 6.050 716 HB3 PHE 36 1HB PHE 36 -0.344 1.810 5.633 717 HD1 PHE 36 1HD PHE 36 -0.025 1.337 3.037 718 HD2 PHE 36 2HD PHE 36 -2.848 4.054 4.704 719 HE1 PHE 36 1HE PHE 36 -0.096 2.567 0.909 720 HE2 PHE 36 2HE PHE 36 -2.925 5.283 2.576 721 HZ PHE 36 HZ PHE 36 -1.548 4.540 0.675 722 H THR 37 H THR 37 -2.975 -0.196 7.464 723 HA THR 37 HA THR 37 -0.564 -1.233 8.668 724 HB THR 37 HB THR 37 -2.094 -1.669 10.630 725 HG1 THR 37 1HG THR 37 -4.161 -0.952 10.520 726 HG21 THR 37 3HG2 THR 37 -1.851 1.077 9.465 727 HG22 THR 37 1HG2 THR 37 -0.926 0.344 10.775 728 HG23 THR 37 2HG2 THR 37 -2.617 0.781 11.025 729 H ARG 38 H ARG 38 -3.534 -2.591 7.345 730 HA ARG 38 HA ARG 38 -3.147 -5.209 8.370 731 HB2 ARG 38 2HB ARG 38 -4.811 -5.948 6.805 732 HB3 ARG 38 1HB ARG 38 -5.315 -4.421 7.506 733 HG2 ARG 38 2HG ARG 38 -5.555 -3.540 5.487 734 HG3 ARG 38 1HG ARG 38 -3.872 -3.875 5.103 735 HD2 ARG 38 2HD ARG 38 -6.028 -5.949 4.895 736 HD3 ARG 38 1HD ARG 38 -5.611 -4.872 3.565 737 HE ARG 38 HE ARG 38 -3.249 -6.037 4.410 738 HH11 ARG 38 1HH1 ARG 38 -6.284 -7.091 3.049 739 HH12 ARG 38 2HH1 ARG 38 -5.593 -8.466 2.257 740 HH21 ARG 38 1HH2 ARG 38 -2.339 -7.844 3.371 741 HH22 ARG 38 2HH2 ARG 38 -3.353 -8.895 2.439 742 H LEU 39 H LEU 39 -1.889 -3.515 5.607 743 HA LEU 39 HA LEU 39 -0.817 -5.846 4.321 744 HB2 LEU 39 2HB LEU 39 -1.258 -3.154 3.611 745 HB3 LEU 39 1HB LEU 39 0.482 -3.359 3.570 746 HG LEU 39 HG LEU 39 -0.161 -5.519 2.168 747 HD11 LEU 39 1HD1 LEU 39 -2.077 -5.176 0.749 748 HD12 LEU 39 2HD1 LEU 39 -2.439 -3.650 1.556 749 HD13 LEU 39 3HD1 LEU 39 -2.584 -5.170 2.438 750 HD21 LEU 39 3HD2 LEU 39 0.147 -4.207 0.127 751 HD22 LEU 39 1HD2 LEU 39 1.272 -3.708 1.391 752 HD23 LEU 39 2HD2 LEU 39 -0.149 -2.725 1.036 753 H ARG 40 H ARG 40 0.499 -3.171 6.245 754 HA ARG 40 HA ARG 40 3.179 -3.849 6.210 755 HB2 ARG 40 2HB ARG 40 1.422 -2.221 7.910 756 HB3 ARG 40 1HB ARG 40 2.803 -2.870 8.779 757 HG2 ARG 40 2HG ARG 40 3.101 -1.407 6.178 758 HG3 ARG 40 1HG ARG 40 3.061 -0.576 7.733 759 HD2 ARG 40 2HD ARG 40 4.984 -2.786 7.030 760 HD3 ARG 40 1HD ARG 40 5.354 -1.068 6.894 761 HE ARG 40 HE ARG 40 4.491 -1.452 9.479 762 HH11 ARG 40 1HH1 ARG 40 7.083 -2.652 7.473 763 HH12 ARG 40 2HH1 ARG 40 8.164 -2.899 8.803 764 HH21 ARG 40 1HH2 ARG 40 5.912 -1.777 11.228 765 HH22 ARG 40 2HH2 ARG 40 7.501 -2.402 10.934 766 H GLU 41 H GLU 41 0.886 -4.656 8.821 767 HA GLU 41 HA GLU 41 2.505 -6.310 10.300 768 HB2 GLU 41 2HB GLU 41 -0.469 -6.536 9.829 769 HB3 GLU 41 1HB GLU 41 0.401 -7.394 11.094 770 HG2 GLU 41 2HG GLU 41 1.129 -5.180 11.984 771 HG3 GLU 41 1HG GLU 41 0.054 -4.420 10.812 772 H ALA 42 H ALA 42 0.781 -7.051 7.344 773 HA ALA 42 HA ALA 42 1.146 -9.875 7.473 774 HB1 ALA 42 1HB ALA 42 0.718 -8.212 4.997 775 HB2 ALA 42 2HB ALA 42 -0.578 -8.707 6.085 776 HB3 ALA 42 3HB ALA 42 0.359 -9.924 5.219 777 H ARG 43 H ARG 43 2.940 -7.199 6.081 778 HA ARG 43 HA ARG 43 4.864 -7.109 4.840 779 HB2 ARG 43 2HB ARG 43 6.801 -8.074 6.239 780 HB3 ARG 43 1HB ARG 43 5.797 -6.826 6.947 781 HG2 ARG 43 2HG ARG 43 6.107 -8.352 8.662 782 HG3 ARG 43 1HG ARG 43 4.503 -8.732 8.056 783 HD2 ARG 43 2HD ARG 43 6.188 -10.335 6.535 784 HD3 ARG 43 1HD ARG 43 6.904 -10.373 8.142 785 HE ARG 43 HE ARG 43 4.536 -11.678 7.313 786 HH11 ARG 43 1HH1 ARG 43 5.923 -9.989 10.037 787 HH12 ARG 43 2HH1 ARG 43 4.961 -10.827 11.206 788 HH21 ARG 43 1HH2 ARG 43 3.271 -12.782 8.854 789 HH22 ARG 43 2HH2 ARG 43 3.457 -12.414 10.536 790 H ALA 44 H ALA 44 7.033 -8.626 4.407 791 HA ALA 44 HA ALA 44 7.840 -10.222 3.005 792 HB1 ALA 44 1HB ALA 44 5.798 -11.828 4.526 793 HB2 ALA 44 2HB ALA 44 7.533 -11.723 4.814 794 HB3 ALA 44 3HB ALA 44 6.929 -12.543 3.376 795 H1 ALA 578 1HT ALA 578 -16.656 -10.245 -21.046 796 H2 ALA 578 2HT ALA 578 -16.701 -10.843 -22.654 797 H3 ALA 578 3HT ALA 578 -18.102 -10.136 -21.959 798 HA ALA 578 HA ALA 578 -15.608 -8.638 -22.233 799 HB1 ALA 578 2HB ALA 578 -16.352 -7.811 -24.380 800 HB2 ALA 578 3HB ALA 578 -17.781 -8.842 -24.312 801 HB3 ALA 578 1HB ALA 578 -16.178 -9.564 -24.442 802 H MET 579 H MET 579 -16.101 -6.320 -22.373 803 HA MET 579 HA MET 579 -17.074 -4.427 -21.576 804 HB2 MET 579 2HB MET 579 -19.009 -5.622 -23.043 805 HB3 MET 579 1HB MET 579 -19.806 -5.599 -21.477 806 HG2 MET 579 2HG MET 579 -20.485 -3.644 -22.570 807 HG3 MET 579 1HG MET 579 -19.282 -3.130 -21.390 808 HE1 MET 579 3HE MET 579 -16.775 -2.176 -22.135 809 HE2 MET 579 1HE MET 579 -18.205 -1.152 -22.027 810 HE3 MET 579 2HE MET 579 -17.096 -0.977 -23.387 811 H ALA 580 H ALA 580 -18.080 -3.486 -19.664 812 HA ALA 580 HA ALA 580 -17.357 -4.766 -17.297 813 HB1 ALA 580 1HB ALA 580 -18.206 -2.910 -16.172 814 HB2 ALA 580 2HB ALA 580 -19.479 -2.646 -17.365 815 HB3 ALA 580 3HB ALA 580 -17.804 -2.270 -17.766 816 H ASP 581 H ASP 581 -19.435 -4.518 -15.502 817 HA ASP 581 HA ASP 581 -21.273 -5.556 -14.651 818 HB2 ASP 581 2HB ASP 581 -22.137 -4.846 -17.091 819 HB3 ASP 581 1HB ASP 581 -22.191 -6.593 -17.299 820 H ILE 582 H ILE 582 -22.518 -7.937 -15.242 821 HA ILE 582 HA ILE 582 -22.326 -10.193 -15.090 822 HB ILE 582 HB ILE 582 -19.567 -9.936 -16.292 823 HG12 ILE 582 2HG1 ILE 582 -22.225 -10.233 -17.710 824 HG13 ILE 582 1HG1 ILE 582 -21.249 -8.769 -17.685 825 HG21 ILE 582 1HG2 ILE 582 -20.084 -12.114 -15.322 826 HG22 ILE 582 2HG2 ILE 582 -19.984 -12.209 -17.078 827 HG23 ILE 582 3HG2 ILE 582 -21.559 -12.198 -16.284 828 HD11 ILE 582 3HD1 ILE 582 -19.452 -9.963 -18.843 829 HD12 ILE 582 1HD1 ILE 582 -20.954 -9.956 -19.767 830 HD13 ILE 582 2HD1 ILE 582 -20.464 -11.408 -18.895 831 H GLY 583 H GLY 583 -18.982 -9.047 -14.512 832 HA2 GLY 583 2HA GLY 583 -18.999 -9.251 -11.746 833 HA3 GLY 583 1HA GLY 583 -18.566 -10.842 -12.353 834 H SER 584 H SER 584 -16.514 -10.611 -11.341 835 HA SER 584 HA SER 584 -14.724 -8.501 -11.997 836 HB2 SER 584 2HB SER 584 -12.998 -9.973 -10.955 837 HB3 SER 584 1HB SER 584 -14.420 -9.743 -9.938 838 HG SER 584 HG SER 584 -15.071 -11.780 -10.362 839 H ALA 585 H ALA 585 -15.059 -11.848 -13.131 840 HA ALA 585 HA ALA 585 -14.252 -12.934 -14.960 841 HB1 ALA 585 1HB ALA 585 -14.146 -11.642 -17.050 842 HB2 ALA 585 2HB ALA 585 -14.305 -10.151 -16.121 843 HB3 ALA 585 3HB ALA 585 -15.623 -11.323 -16.141 844 H SER 586 H SER 586 -12.301 -13.222 -13.553 845 HA SER 586 HA SER 586 -10.052 -13.249 -13.202 846 HB2 SER 586 2HB SER 586 -8.751 -13.706 -15.104 847 HB3 SER 586 1HB SER 586 -10.376 -14.195 -15.581 848 HG SER 586 HG SER 586 -10.485 -11.929 -16.445 849 H GLY 587 H GLY 587 -10.316 -11.193 -12.005 850 HA2 GLY 587 2HA GLY 587 -8.281 -9.449 -12.264 851 HA3 GLY 587 1HA GLY 587 -9.476 -8.764 -13.355 852 H TYR 588 H TYR 588 -8.450 -9.071 -10.117 853 HA TYR 588 HA TYR 588 -10.635 -8.690 -8.556 854 HB2 TYR 588 2HB TYR 588 -8.085 -8.663 -7.967 855 HB3 TYR 588 1HB TYR 588 -8.253 -6.916 -8.093 856 HD1 TYR 588 1HD TYR 588 -10.221 -9.719 -6.567 857 HD2 TYR 588 2HD TYR 588 -8.502 -5.860 -6.042 858 HE1 TYR 588 1HE TYR 588 -11.079 -9.655 -4.266 859 HE2 TYR 588 2HE TYR 588 -9.356 -5.789 -3.739 860 HH TYR 588 HH TYR 588 -10.710 -8.559 -2.191 861 H VAL 589 H VAL 589 -11.778 -6.896 -7.726 862 HA VAL 589 HA VAL 589 -13.006 -5.009 -7.872 863 HB VAL 589 HB VAL 589 -11.903 -3.057 -7.980 864 HG11 VAL 589 1HG1 VAL 589 -9.629 -3.175 -7.480 865 HG12 VAL 589 2HG1 VAL 589 -9.376 -4.591 -8.491 866 HG13 VAL 589 3HG1 VAL 589 -10.274 -4.734 -6.979 867 HG21 VAL 589 3HG2 VAL 589 -11.974 -2.744 -10.334 868 HG22 VAL 589 1HG2 VAL 589 -10.701 -3.930 -10.601 869 HG23 VAL 589 2HG2 VAL 589 -10.327 -2.399 -9.816 870 HA PRO 590 HA PRO 590 -15.013 -5.607 -11.792 871 HB2 PRO 590 2HB PRO 590 -17.112 -3.951 -11.513 872 HB3 PRO 590 1HB PRO 590 -16.959 -5.432 -10.558 873 HG2 PRO 590 2HG PRO 590 -16.287 -2.616 -9.793 874 HG3 PRO 590 1HG PRO 590 -17.189 -3.832 -8.871 875 HD2 PRO 590 2HD PRO 590 -14.558 -3.318 -8.425 876 HD3 PRO 590 1HD PRO 590 -15.273 -4.925 -8.192 877 H GLU 591 H GLU 591 -13.826 -4.884 -13.429 878 HA GLU 591 HA GLU 591 -12.531 -3.241 -14.579 879 HB2 GLU 591 2HB GLU 591 -15.399 -3.352 -15.471 880 HB3 GLU 591 1HB GLU 591 -14.151 -2.546 -16.411 881 HG2 GLU 591 2HG GLU 591 -13.891 -5.407 -15.549 882 HG3 GLU 591 1HG GLU 591 -14.736 -4.945 -17.025 883 H GLU 592 H GLU 592 -15.665 -1.552 -14.417 884 HA GLU 592 HA GLU 592 -14.789 0.986 -14.754 885 HB2 GLU 592 2HB GLU 592 -17.089 -0.011 -13.084 886 HB3 GLU 592 1HB GLU 592 -16.839 1.690 -13.452 887 HG2 GLU 592 2HG GLU 592 -17.112 1.299 -15.788 888 HG3 GLU 592 1HG GLU 592 -17.135 -0.447 -15.544 889 H ILE 593 H ILE 593 -14.566 -0.844 -11.788 890 HA ILE 593 HA ILE 593 -14.025 1.424 -10.127 891 HB ILE 593 HB ILE 593 -13.776 -1.542 -9.697 892 HG12 ILE 593 2HG1 ILE 593 -16.001 -0.306 -9.572 893 HG13 ILE 593 1HG1 ILE 593 -15.567 -1.279 -8.178 894 HG21 ILE 593 1HG2 ILE 593 -13.218 -0.927 -7.281 895 HG22 ILE 593 2HG2 ILE 593 -12.752 0.650 -7.917 896 HG23 ILE 593 3HG2 ILE 593 -11.919 -0.803 -8.466 897 HD11 ILE 593 3HD1 ILE 593 -15.204 0.550 -6.836 898 HD12 ILE 593 1HD1 ILE 593 -16.558 1.079 -7.833 899 HD13 ILE 593 2HD1 ILE 593 -14.925 1.630 -8.199 900 H TRP 594 H TRP 594 -12.133 -0.669 -12.151 901 HA TRP 594 HA TRP 594 -9.615 0.042 -10.964 902 HB2 TRP 594 2HB TRP 594 -9.904 -2.147 -12.050 903 HB3 TRP 594 1HB TRP 594 -10.213 -1.343 -13.584 904 HD1 TRP 594 HD TRP 594 -8.118 -0.252 -14.847 905 HE1 TRP 594 1HE TRP 594 -5.583 -0.628 -14.611 906 HE3 TRP 594 3HE TRP 594 -8.078 -2.695 -10.360 907 HZ2 TRP 594 2HZ TRP 594 -3.805 -1.808 -12.762 908 HZ3 TRP 594 3HZ TRP 594 -5.918 -3.408 -9.427 909 HH2 TRP 594 HH TRP 594 -3.827 -2.979 -10.604 910 H LYS 595 H LYS 595 -11.248 0.787 -14.024 911 HA LYS 595 HA LYS 595 -9.289 2.452 -15.090 912 HB2 LYS 595 2HB LYS 595 -12.271 2.312 -15.417 913 HB3 LYS 595 1HB LYS 595 -11.351 3.570 -16.231 914 HG2 LYS 595 2HG LYS 595 -10.243 2.064 -17.599 915 HG3 LYS 595 1HG LYS 595 -10.552 0.701 -16.523 916 HD2 LYS 595 2HD LYS 595 -12.856 2.100 -17.830 917 HD3 LYS 595 1HD LYS 595 -11.892 0.954 -18.763 918 HE2 LYS 595 2HE LYS 595 -12.469 -0.840 -17.375 919 HE3 LYS 595 1HE LYS 595 -13.017 0.220 -16.077 920 HZ1 LYS 595 3HZ LYS 595 -14.931 -0.664 -17.107 921 HZ2 LYS 595 1HZ LYS 595 -14.363 -0.317 -18.663 922 HZ3 LYS 595 2HZ LYS 595 -14.824 0.941 -17.629 923 H LYS 596 H LYS 596 -12.010 3.258 -12.917 924 HA LYS 596 HA LYS 596 -11.387 6.036 -12.921 925 HB2 LYS 596 2HB LYS 596 -13.210 4.324 -11.258 926 HB3 LYS 596 1HB LYS 596 -13.003 6.038 -10.933 927 HG2 LYS 596 2HG LYS 596 -13.525 5.679 -13.731 928 HG3 LYS 596 1HG LYS 596 -14.732 4.800 -12.807 929 HD2 LYS 596 2HD LYS 596 -15.764 6.833 -12.880 930 HD3 LYS 596 1HD LYS 596 -14.798 7.087 -11.430 931 HE2 LYS 596 2HE LYS 596 -14.664 8.994 -12.942 932 HE3 LYS 596 1HE LYS 596 -13.093 8.219 -12.747 933 HZ1 LYS 596 3HZ LYS 596 -14.728 7.299 -14.974 934 HZ2 LYS 596 1HZ LYS 596 -13.057 7.554 -14.890 935 HZ3 LYS 596 2HZ LYS 596 -14.102 8.866 -15.105 936 H ALA 597 H ALA 597 -10.990 3.564 -10.318 937 HA ALA 597 HA ALA 597 -9.860 5.122 -8.385 938 HB1 ALA 597 1HB ALA 597 -9.370 2.271 -9.159 939 HB2 ALA 597 2HB ALA 597 -10.356 2.907 -7.845 940 HB3 ALA 597 3HB ALA 597 -8.598 2.997 -7.751 941 H GLU 598 H GLU 598 -8.316 3.731 -11.199 942 HA GLU 598 HA GLU 598 -5.647 4.374 -10.501 943 HB2 GLU 598 2HB GLU 598 -6.992 3.640 -13.086 944 HB3 GLU 598 1HB GLU 598 -5.299 4.115 -13.065 945 HG2 GLU 598 2HG GLU 598 -5.784 1.636 -12.968 946 HG3 GLU 598 1HG GLU 598 -4.682 2.271 -11.749 947 H GLU 599 H GLU 599 -8.149 6.162 -12.198 948 HA GLU 599 HA GLU 599 -6.510 8.233 -13.206 949 HB2 GLU 599 2HB GLU 599 -9.437 8.102 -12.512 950 HB3 GLU 599 1HB GLU 599 -8.704 9.609 -13.041 951 HG2 GLU 599 2HG GLU 599 -7.904 8.355 -15.081 952 HG3 GLU 599 1HG GLU 599 -8.958 7.038 -14.570 953 H ALA 600 H ALA 600 -8.172 7.810 -10.107 954 HA ALA 600 HA ALA 600 -7.678 10.315 -8.999 955 HB1 ALA 600 1HB ALA 600 -7.763 9.056 -6.786 956 HB2 ALA 600 2HB ALA 600 -7.990 7.601 -7.757 957 HB3 ALA 600 3HB ALA 600 -9.164 8.912 -7.848 958 H VAL 601 H VAL 601 -5.531 7.613 -9.480 959 HA VAL 601 HA VAL 601 -3.492 8.653 -7.710 960 HB VAL 601 HB VAL 601 -3.133 6.444 -9.735 961 HG11 VAL 601 1HG1 VAL 601 -1.058 7.216 -8.847 962 HG12 VAL 601 2HG1 VAL 601 -1.447 5.694 -8.046 963 HG13 VAL 601 3HG1 VAL 601 -1.698 7.222 -7.204 964 HG21 VAL 601 3HG2 VAL 601 -4.247 6.344 -6.938 965 HG22 VAL 601 1HG2 VAL 601 -3.641 4.931 -7.800 966 HG23 VAL 601 2HG2 VAL 601 -5.028 5.818 -8.429 967 H ASN 602 H ASN 602 -3.941 8.350 -11.210 968 HA ASN 602 HA ASN 602 -1.446 9.468 -11.949 969 HB2 ASN 602 2HB ASN 602 -4.061 9.336 -13.462 970 HB3 ASN 602 1HB ASN 602 -2.527 9.828 -14.171 971 HD21 ASN 602 1HD2 ASN 602 -0.950 8.303 -14.563 972 HD22 ASN 602 2HD2 ASN 602 -1.264 6.605 -14.512 973 H GLU 603 H GLU 603 -4.565 10.837 -11.170 974 HA GLU 603 HA GLU 603 -3.917 13.484 -12.060 975 HB2 GLU 603 2HB GLU 603 -6.256 12.314 -11.623 976 HB3 GLU 603 1HB GLU 603 -6.043 12.985 -10.012 977 HG2 GLU 603 2HG GLU 603 -5.624 15.213 -11.217 978 HG3 GLU 603 1HG GLU 603 -6.319 14.420 -12.628 979 H VAL 604 H VAL 604 -4.301 12.098 -8.754 980 HA VAL 604 HA VAL 604 -3.404 14.414 -7.467 981 HB VAL 604 HB VAL 604 -4.666 12.589 -6.348 982 HG11 VAL 604 1HG1 VAL 604 -3.077 10.798 -7.331 983 HG12 VAL 604 2HG1 VAL 604 -3.707 10.580 -5.698 984 HG13 VAL 604 3HG1 VAL 604 -2.061 11.169 -5.937 985 HG21 VAL 604 3HG2 VAL 604 -3.597 12.900 -4.219 986 HG22 VAL 604 1HG2 VAL 604 -3.466 14.391 -5.142 987 HG23 VAL 604 2HG2 VAL 604 -2.076 13.318 -4.995 988 H LYS 605 H LYS 605 -1.618 11.765 -8.864 989 HA LYS 605 HA LYS 605 0.834 12.441 -7.517 990 HB2 LYS 605 2HB LYS 605 1.927 10.797 -8.893 991 HB3 LYS 605 1HB LYS 605 0.416 10.140 -8.293 992 HG2 LYS 605 2HG LYS 605 0.191 9.453 -10.416 993 HG3 LYS 605 1HG LYS 605 -0.418 11.084 -10.659 994 HD2 LYS 605 2HD LYS 605 1.124 10.908 -12.369 995 HD3 LYS 605 1HD LYS 605 2.097 11.656 -11.103 996 HE2 LYS 605 2HE LYS 605 2.889 9.377 -10.469 997 HE3 LYS 605 1HE LYS 605 2.027 8.741 -11.869 998 HZ1 LYS 605 3HZ LYS 605 3.511 9.648 -13.315 999 HZ2 LYS 605 1HZ LYS 605 4.547 9.389 -12.002 1000 HZ3 LYS 605 2HZ LYS 605 3.921 10.932 -12.293 1001 H ARG 606 H ARG 606 -0.511 13.038 -10.738 1002 HA ARG 606 HA ARG 606 1.704 14.438 -11.775 1003 HB2 ARG 606 2HB ARG 606 -1.224 14.352 -12.409 1004 HB3 ARG 606 1HB ARG 606 -0.253 15.631 -13.122 1005 HG2 ARG 606 2HG ARG 606 1.233 13.925 -14.096 1006 HG3 ARG 606 1HG ARG 606 0.187 12.670 -13.431 1007 HD2 ARG 606 2HD ARG 606 -0.387 13.016 -15.739 1008 HD3 ARG 606 1HD ARG 606 -1.699 13.616 -14.725 1009 HE ARG 606 HE ARG 606 -0.034 15.772 -15.242 1010 HH11 ARG 606 1HH1 ARG 606 -2.039 13.570 -17.066 1011 HH12 ARG 606 2HH1 ARG 606 -2.386 14.722 -18.312 1012 HH21 ARG 606 1HH2 ARG 606 -0.491 17.287 -16.880 1013 HH22 ARG 606 2HH2 ARG 606 -1.507 16.831 -18.206 1014 H GLN 607 H GLN 607 -0.794 15.277 -9.517 1015 HA GLN 607 HA GLN 607 -0.369 18.121 -9.675 1016 HB2 GLN 607 2HB GLN 607 -2.112 16.294 -8.121 1017 HB3 GLN 607 1HB GLN 607 -1.691 17.800 -7.323 1018 HG2 GLN 607 2HG GLN 607 -3.422 18.700 -8.395 1019 HG3 GLN 607 1HG GLN 607 -2.443 18.627 -9.855 1020 HE21 GLN 607 1HE2 GLN 607 -4.997 17.133 -8.032 1021 HE22 GLN 607 2HE2 GLN 607 -5.612 16.152 -9.312 1022 H ALA 608 H ALA 608 0.383 15.669 -7.123 1023 HA ALA 608 HA ALA 608 1.622 17.229 -5.265 1024 HB1 ALA 608 1HB ALA 608 3.019 15.193 -4.782 1025 HB2 ALA 608 2HB ALA 608 2.300 14.457 -6.212 1026 HB3 ALA 608 3HB ALA 608 1.278 14.920 -4.852 1027 H MET 609 H MET 609 2.964 16.087 -8.305 1028 HA MET 609 HA MET 609 5.631 16.898 -7.746 1029 HB2 MET 609 2HB MET 609 5.999 16.704 -10.213 1030 HB3 MET 609 1HB MET 609 5.322 15.266 -9.463 1031 HG2 MET 609 2HG MET 609 3.200 15.656 -10.376 1032 HG3 MET 609 1HG MET 609 3.605 17.313 -10.817 1033 HE1 MET 609 3HE MET 609 3.701 13.504 -12.580 1034 HE2 MET 609 1HE MET 609 4.571 13.754 -11.066 1035 HE3 MET 609 2HE MET 609 5.463 13.581 -12.578 1036 H THR 610 H THR 610 2.869 18.572 -9.184 1037 HA THR 610 HA THR 610 4.361 20.843 -10.052 1038 HB THR 610 HB THR 610 1.796 21.788 -9.459 1039 HG1 THR 610 1HG THR 610 1.008 19.792 -8.937 1040 HG21 THR 610 3HG2 THR 610 2.738 20.469 -11.993 1041 HG22 THR 610 1HG2 THR 610 2.874 22.178 -11.579 1042 HG23 THR 610 2HG2 THR 610 1.286 21.456 -11.832 1043 H GLU 611 H GLU 611 2.862 19.831 -7.066 1044 HA GLU 611 HA GLU 611 3.058 22.259 -5.638 1045 HB2 GLU 611 2HB GLU 611 1.939 19.888 -5.073 1046 HB3 GLU 611 1HB GLU 611 3.444 19.674 -4.190 1047 HG2 GLU 611 2HG GLU 611 2.821 22.067 -3.261 1048 HG3 GLU 611 1HG GLU 611 1.194 21.546 -3.697 1049 H LEU 612 H LEU 612 5.298 19.828 -6.491 1050 HA LEU 612 HA LEU 612 7.407 20.680 -4.688 1051 HB2 LEU 612 2HB LEU 612 7.276 18.638 -6.894 1052 HB3 LEU 612 1HB LEU 612 8.772 19.009 -6.063 1053 HG LEU 612 HG LEU 612 6.396 18.249 -4.416 1054 HD11 LEU 612 1HD1 LEU 612 7.678 16.485 -6.384 1055 HD12 LEU 612 2HD1 LEU 612 6.126 16.345 -5.563 1056 HD13 LEU 612 3HD1 LEU 612 7.599 15.834 -4.748 1057 HD21 LEU 612 3HD2 LEU 612 8.455 18.977 -3.333 1058 HD22 LEU 612 1HD2 LEU 612 9.354 17.711 -4.171 1059 HD23 LEU 612 2HD2 LEU 612 8.121 17.281 -2.984 1060 H GLN 613 H GLN 613 6.450 21.130 -8.011 1061 HA GLN 613 HA GLN 613 8.878 22.273 -8.940 1062 HB2 GLN 613 2HB GLN 613 7.211 21.356 -10.476 1063 HB3 GLN 613 1HB GLN 613 6.051 22.577 -9.969 1064 HG2 GLN 613 2HG GLN 613 7.267 24.309 -10.997 1065 HG3 GLN 613 1HG GLN 613 8.688 23.288 -11.213 1066 HE21 GLN 613 1HE2 GLN 613 8.071 21.181 -12.474 1067 HE22 GLN 613 2HE2 GLN 613 7.200 21.458 -13.939 1068 H LYS 614 H LYS 614 6.551 23.413 -6.792 1069 HA LYS 614 HA LYS 614 7.470 26.189 -7.160 1070 HB2 LYS 614 2HB LYS 614 5.286 26.986 -6.458 1071 HB3 LYS 614 1HB LYS 614 5.123 25.948 -7.867 1072 HG2 LYS 614 2HG LYS 614 4.545 24.075 -6.298 1073 HG3 LYS 614 1HG LYS 614 4.483 25.274 -5.006 1074 HD2 LYS 614 2HD LYS 614 2.876 25.640 -7.518 1075 HD3 LYS 614 1HD LYS 614 2.288 24.612 -6.212 1076 HE2 LYS 614 2HE LYS 614 3.148 27.466 -5.791 1077 HE3 LYS 614 1HE LYS 614 1.493 27.009 -6.184 1078 HZ1 LYS 614 3HZ LYS 614 2.567 25.486 -4.011 1079 HZ2 LYS 614 1HZ LYS 614 1.122 26.362 -4.104 1080 HZ3 LYS 614 2HZ LYS 614 2.561 27.146 -3.686 1081 H ALA 615 H ALA 615 8.562 24.092 -5.475 1082 HA ALA 615 HA ALA 615 7.722 24.523 -2.778 1083 HB1 ALA 615 1HB ALA 615 8.748 22.431 -3.372 1084 HB2 ALA 615 2HB ALA 615 9.776 23.256 -2.200 1085 HB3 ALA 615 3HB ALA 615 10.212 23.255 -3.909 Start of MODEL 14 1 H1 GLY -7 1HT GLY -7 -15.018 19.815 -20.175 2 H2 GLY -7 2HT GLY -7 -14.369 21.377 -20.203 3 H3 GLY -7 3HT GLY -7 -15.566 20.980 -19.076 4 HA2 GLY -7 1HA GLY -7 -12.765 20.013 -19.158 5 HA3 GLY -7 2HA GLY -7 -13.512 21.006 -17.916 6 H ALA -6 H ALA -6 -15.941 19.613 -17.641 7 HA ALA -6 HA ALA -6 -15.521 16.833 -17.216 8 HB1 ALA -6 1HB ALA -6 -14.114 17.779 -15.395 9 HB2 ALA -6 2HB ALA -6 -15.431 16.756 -14.822 10 HB3 ALA -6 3HB ALA -6 -15.567 18.509 -14.713 11 H MET -5 H MET -5 -17.504 16.588 -18.193 12 HA MET -5 HA MET -5 -19.825 17.211 -16.516 13 HB2 MET -5 2HB MET -5 -19.591 17.912 -19.449 14 HB3 MET -5 1HB MET -5 -21.103 17.914 -18.552 15 HG2 MET -5 2HG MET -5 -18.717 19.610 -17.861 16 HG3 MET -5 1HG MET -5 -20.084 20.151 -18.833 17 HE1 MET -5 3HE MET -5 -20.854 22.019 -17.660 18 HE2 MET -5 1HE MET -5 -19.677 22.085 -16.349 19 HE3 MET -5 2HE MET -5 -21.403 22.125 -15.987 20 H GLY -4 H GLY -4 -20.375 15.154 -16.029 21 HA2 GLY -4 2HA GLY -4 -21.559 13.526 -18.051 22 HA3 GLY -4 1HA GLY -4 -20.008 12.874 -17.541 23 H SER -3 H SER -3 -19.972 13.323 -14.872 24 HA SER -3 HA SER -3 -20.817 12.728 -12.835 25 HB2 SER -3 2HB SER -3 -23.083 12.703 -12.426 26 HB3 SER -3 1HB SER -3 -23.075 13.563 -13.965 27 HG SER -3 HG SER -3 -24.545 11.638 -13.627 28 H MET -2 H MET -2 -22.006 10.587 -15.430 29 HA MET -2 HA MET -2 -21.878 8.340 -15.726 30 HB2 MET -2 2HB MET -2 -19.539 8.517 -13.818 31 HB3 MET -2 1HB MET -2 -19.889 7.186 -14.910 32 HG2 MET -2 2HG MET -2 -19.398 8.484 -16.815 33 HG3 MET -2 1HG MET -2 -19.386 9.980 -15.883 34 HE1 MET -2 3HE MET -2 -17.302 11.129 -15.509 35 HE2 MET -2 1HE MET -2 -15.900 10.405 -14.720 36 HE3 MET -2 2HE MET -2 -17.465 10.412 -13.906 37 H SER -1 H SER -1 -23.681 7.475 -14.879 38 HA SER -1 HA SER -1 -24.113 7.272 -12.041 39 HB2 SER -1 2HB SER -1 -26.224 6.221 -12.637 40 HB3 SER -1 1HB SER -1 -25.969 7.639 -13.654 41 HG SER -1 HG SER -1 -26.551 6.080 -15.054 42 H HIS 2 H HIS 2 -22.446 5.985 -11.250 43 HA HIS 2 HA HIS 2 -22.906 3.272 -10.982 44 HB2 HIS 2 2HB HIS 2 -21.900 3.645 -13.519 45 HB3 HIS 2 1HB HIS 2 -20.433 3.346 -12.603 46 HD1 HIS 2 1HD HIS 2 -23.244 1.650 -14.181 47 HD2 HIS 2 2HD HIS 2 -20.476 0.779 -11.207 48 HE1 HIS 2 1HE HIS 2 -23.325 -0.847 -13.899 49 HE2 HIS 2 2HE HIS 2 -21.578 -1.359 -12.156 50 H ILE 3 H ILE 3 -20.070 5.330 -11.546 51 HA ILE 3 HA ILE 3 -19.264 4.986 -8.744 52 HB ILE 3 HB ILE 3 -17.513 4.473 -11.152 53 HG12 ILE 3 2HG1 ILE 3 -17.331 2.471 -9.091 54 HG13 ILE 3 1HG1 ILE 3 -19.020 2.721 -9.487 55 HG21 ILE 3 1HG2 ILE 3 -15.708 4.063 -9.439 56 HG22 ILE 3 2HG2 ILE 3 -16.756 4.867 -8.272 57 HG23 ILE 3 3HG2 ILE 3 -16.170 5.746 -9.683 58 HD11 ILE 3 3HD1 ILE 3 -16.812 1.954 -11.370 59 HD12 ILE 3 1HD1 ILE 3 -18.453 2.356 -11.874 60 HD13 ILE 3 2HD1 ILE 3 -18.167 0.959 -10.838 61 H GLN 4 H GLN 4 -17.812 6.671 -7.999 62 HA GLN 4 HA GLN 4 -17.189 8.872 -9.755 63 HB2 GLN 4 2HB GLN 4 -18.434 10.536 -8.305 64 HB3 GLN 4 1HB GLN 4 -19.425 9.533 -9.355 65 HG2 GLN 4 2HG GLN 4 -19.998 8.099 -7.492 66 HG3 GLN 4 1HG GLN 4 -18.953 9.037 -6.429 67 HE21 GLN 4 1HE2 GLN 4 -21.538 9.682 -8.779 68 HE22 GLN 4 2HE2 GLN 4 -22.414 10.776 -7.768 69 H ILE 5 H ILE 5 -15.121 9.296 -9.165 70 HA ILE 5 HA ILE 5 -13.852 8.557 -6.854 71 HB ILE 5 HB ILE 5 -13.306 10.754 -8.802 72 HG12 ILE 5 2HG1 ILE 5 -10.972 9.431 -8.514 73 HG13 ILE 5 1HG1 ILE 5 -12.062 8.170 -7.963 74 HG21 ILE 5 1HG2 ILE 5 -12.692 11.984 -6.902 75 HG22 ILE 5 2HG2 ILE 5 -11.183 11.272 -7.465 76 HG23 ILE 5 3HG2 ILE 5 -12.029 10.566 -6.088 77 HD11 ILE 5 3HD1 ILE 5 -11.442 8.094 -10.372 78 HD12 ILE 5 1HD1 ILE 5 -12.357 9.588 -10.591 79 HD13 ILE 5 2HD1 ILE 5 -13.178 8.125 -10.048 80 HA PRO 6 HA PRO 6 -16.373 10.863 -3.861 81 HB2 PRO 6 2HB PRO 6 -14.165 9.824 -2.129 82 HB3 PRO 6 1HB PRO 6 -15.910 9.823 -1.850 83 HG2 PRO 6 2HG PRO 6 -14.682 7.597 -2.592 84 HG3 PRO 6 1HG PRO 6 -16.268 8.015 -3.268 85 HD2 PRO 6 2HD PRO 6 -13.560 8.207 -4.520 86 HD3 PRO 6 1HD PRO 6 -15.117 7.774 -5.253 87 HA PRO 7 HA PRO 7 -13.889 14.659 -4.232 88 HB2 PRO 7 2HB PRO 7 -15.863 15.418 -2.104 89 HB3 PRO 7 1HB PRO 7 -15.329 16.334 -3.519 90 HG2 PRO 7 2HG PRO 7 -17.687 15.109 -3.521 91 HG3 PRO 7 1HG PRO 7 -16.672 15.123 -4.976 92 HD2 PRO 7 2HD PRO 7 -17.207 12.903 -3.061 93 HD3 PRO 7 1HD PRO 7 -16.883 12.841 -4.806 94 H GLY 8 H GLY 8 -12.254 15.573 -2.980 95 HA2 GLY 8 2HA GLY 8 -11.021 15.998 -1.034 96 HA3 GLY 8 1HA GLY 8 -12.086 14.921 -0.143 97 H LEU 9 H LEU 9 -11.646 12.880 -2.384 98 HA LEU 9 HA LEU 9 -9.677 11.365 -1.096 99 HB2 LEU 9 2HB LEU 9 -11.522 10.559 -2.628 100 HB3 LEU 9 1HB LEU 9 -10.515 11.054 -3.973 101 HG LEU 9 HG LEU 9 -8.982 9.366 -2.206 102 HD11 LEU 9 1HD1 LEU 9 -11.234 8.523 -1.574 103 HD12 LEU 9 2HD1 LEU 9 -10.191 7.316 -2.323 104 HD13 LEU 9 3HD1 LEU 9 -11.485 8.067 -3.258 105 HD21 LEU 9 3HD2 LEU 9 -8.663 8.063 -4.226 106 HD22 LEU 9 1HD2 LEU 9 -8.507 9.783 -4.577 107 HD23 LEU 9 2HD2 LEU 9 -9.982 8.922 -5.017 108 H THR 10 H THR 10 -9.503 13.539 -3.860 109 HA THR 10 HA THR 10 -6.887 12.874 -4.671 110 HB THR 10 HB THR 10 -8.115 15.604 -5.008 111 HG1 THR 10 1HG THR 10 -8.834 13.185 -6.272 112 HG21 THR 10 3HG2 THR 10 -6.254 13.922 -6.646 113 HG22 THR 10 1HG2 THR 10 -6.024 15.564 -6.042 114 HG23 THR 10 2HG2 THR 10 -7.173 15.255 -7.344 115 H GLU 11 H GLU 11 -8.121 15.446 -2.555 116 HA GLU 11 HA GLU 11 -5.628 16.627 -2.004 117 HB2 GLU 11 2HB GLU 11 -8.171 16.583 -0.373 118 HB3 GLU 11 1HB GLU 11 -6.789 17.613 -0.028 119 HG2 GLU 11 2HG GLU 11 -7.058 18.713 -2.184 120 HG3 GLU 11 1HG GLU 11 -8.429 17.667 -2.551 121 H LEU 12 H LEU 12 -7.246 13.837 -0.649 122 HA LEU 12 HA LEU 12 -5.620 13.671 1.692 123 HB2 LEU 12 2HB LEU 12 -7.751 12.088 0.461 124 HB3 LEU 12 1HB LEU 12 -6.531 11.099 1.239 125 HG LEU 12 HG LEU 12 -8.466 11.627 2.695 126 HD11 LEU 12 1HD1 LEU 12 -6.098 11.180 3.521 127 HD12 LEU 12 2HD1 LEU 12 -7.212 11.957 4.645 128 HD13 LEU 12 3HD1 LEU 12 -5.994 12.916 3.809 129 HD21 LEU 12 3HD2 LEU 12 -7.424 14.444 2.813 130 HD22 LEU 12 1HD2 LEU 12 -8.917 13.791 3.486 131 HD23 LEU 12 2HD2 LEU 12 -8.740 13.967 1.742 132 H LEU 13 H LEU 13 -5.463 12.222 -1.531 133 HA LEU 13 HA LEU 13 -3.216 10.561 -0.888 134 HB2 LEU 13 2HB LEU 13 -4.309 11.396 -3.572 135 HB3 LEU 13 1HB LEU 13 -3.123 10.136 -3.310 136 HG LEU 13 HG LEU 13 -5.885 9.997 -2.119 137 HD11 LEU 13 1HD1 LEU 13 -6.445 8.517 -4.049 138 HD12 LEU 13 2HD1 LEU 13 -4.963 9.059 -4.833 139 HD13 LEU 13 3HD1 LEU 13 -6.245 10.216 -4.480 140 HD21 LEU 13 3HD2 LEU 13 -4.157 8.516 -1.184 141 HD22 LEU 13 1HD2 LEU 13 -3.861 7.866 -2.797 142 HD23 LEU 13 2HD2 LEU 13 -5.423 7.618 -2.019 143 H GLN 14 H GLN 14 -3.693 13.793 -2.102 144 HA GLN 14 HA GLN 14 -1.145 14.212 -3.221 145 HB2 GLN 14 2HB GLN 14 -3.249 15.627 -3.498 146 HB3 GLN 14 1HB GLN 14 -2.865 16.333 -1.938 147 HG2 GLN 14 2HG GLN 14 -0.585 16.381 -3.740 148 HG3 GLN 14 1HG GLN 14 -1.986 17.206 -4.418 149 HE21 GLN 14 1HE2 GLN 14 -2.276 19.249 -3.852 150 HE22 GLN 14 2HE2 GLN 14 -1.559 20.036 -2.492 151 H GLY 15 H GLY 15 -2.427 14.917 0.025 152 HA2 GLY 15 2HA GLY 15 -0.195 16.185 1.095 153 HA3 GLY 15 1HA GLY 15 -1.328 15.214 2.026 154 H TYR 16 H TYR 16 -0.905 12.725 0.852 155 HA TYR 16 HA TYR 16 1.501 11.936 2.193 156 HB2 TYR 16 2HB TYR 16 -0.474 10.478 2.159 157 HB3 TYR 16 1HB TYR 16 -0.336 10.323 0.409 158 HD1 TYR 16 2HD TYR 16 1.952 9.986 3.348 159 HD2 TYR 16 1HD TYR 16 0.543 8.292 -0.285 160 HE1 TYR 16 2HE TYR 16 3.458 8.077 3.670 161 HE2 TYR 16 1HE TYR 16 2.059 6.375 0.016 162 HH TYR 16 HH TYR 16 3.453 5.328 1.443 163 H THR 17 H THR 17 0.464 11.995 -1.202 164 HA THR 17 HA THR 17 2.676 10.896 -2.416 165 HB THR 17 HB THR 17 1.032 13.211 -3.461 166 HG1 THR 17 1HG THR 17 -0.472 11.796 -3.921 167 HG21 THR 17 3HG2 THR 17 1.675 12.708 -5.605 168 HG22 THR 17 1HG2 THR 17 2.156 11.063 -5.189 169 HG23 THR 17 2HG2 THR 17 3.178 12.424 -4.729 170 H VAL 18 H VAL 18 2.117 14.389 -1.997 171 HA VAL 18 HA VAL 18 4.600 15.234 -2.901 172 HB VAL 18 HB VAL 18 2.515 16.634 -2.397 173 HG11 VAL 18 1HG1 VAL 18 2.221 17.599 -0.285 174 HG12 VAL 18 2HG1 VAL 18 3.812 17.088 0.273 175 HG13 VAL 18 3HG1 VAL 18 2.529 15.897 0.061 176 HG21 VAL 18 3HG2 VAL 18 3.914 18.669 -1.984 177 HG22 VAL 18 1HG2 VAL 18 4.483 17.643 -3.302 178 HG23 VAL 18 2HG2 VAL 18 5.291 17.599 -1.733 179 H GLU 19 H GLU 19 3.681 14.039 0.283 180 HA GLU 19 HA GLU 19 6.073 14.941 1.579 181 HB2 GLU 19 2HB GLU 19 3.765 14.246 2.618 182 HB3 GLU 19 1HB GLU 19 4.471 12.634 2.622 183 HG2 GLU 19 2HG GLU 19 6.487 13.922 3.772 184 HG3 GLU 19 1HG GLU 19 5.198 15.038 4.214 185 H VAL 20 H VAL 20 4.993 11.846 0.240 186 HA VAL 20 HA VAL 20 7.147 10.248 0.953 187 HB VAL 20 HB VAL 20 5.671 10.120 -1.684 188 HG11 VAL 20 1HG1 VAL 20 7.173 8.035 -0.113 189 HG12 VAL 20 2HG1 VAL 20 7.614 8.710 -1.681 190 HG13 VAL 20 3HG1 VAL 20 6.177 7.701 -1.526 191 HG21 VAL 20 3HG2 VAL 20 4.668 8.236 0.224 192 HG22 VAL 20 1HG2 VAL 20 3.809 9.533 -0.605 193 HG23 VAL 20 2HG2 VAL 20 4.603 9.844 0.936 194 H LEU 21 H LEU 21 6.787 12.446 -1.780 195 HA LEU 21 HA LEU 21 9.298 11.769 -2.968 196 HB2 LEU 21 2HB LEU 21 7.565 14.193 -3.415 197 HB3 LEU 21 1HB LEU 21 8.846 13.629 -4.469 198 HG LEU 21 HG LEU 21 6.516 11.836 -3.865 199 HD11 LEU 21 1HD1 LEU 21 5.442 12.729 -5.948 200 HD12 LEU 21 2HD1 LEU 21 6.551 14.096 -5.851 201 HD13 LEU 21 3HD1 LEU 21 5.394 13.807 -4.554 202 HD21 LEU 21 3HD2 LEU 21 7.085 10.778 -5.891 203 HD22 LEU 21 1HD2 LEU 21 8.616 11.081 -5.072 204 HD23 LEU 21 2HD2 LEU 21 8.107 12.120 -6.400 205 H ARG 22 H ARG 22 8.203 14.281 -0.732 206 HA ARG 22 HA ARG 22 10.528 15.890 -0.919 207 HB2 ARG 22 2HB ARG 22 8.273 15.661 1.041 208 HB3 ARG 22 1HB ARG 22 9.664 16.663 1.429 209 HG2 ARG 22 2HG ARG 22 9.297 17.968 -0.591 210 HG3 ARG 22 1HG ARG 22 7.907 16.961 -0.994 211 HD2 ARG 22 2HD ARG 22 8.184 18.605 1.511 212 HD3 ARG 22 1HD ARG 22 7.286 19.102 0.078 213 HE ARG 22 HE ARG 22 6.162 16.737 0.677 214 HH11 ARG 22 1HH1 ARG 22 6.786 19.599 2.582 215 HH12 ARG 22 2HH1 ARG 22 5.486 19.298 3.683 216 HH21 ARG 22 1HH2 ARG 22 4.457 16.342 2.135 217 HH22 ARG 22 2HH2 ARG 22 4.163 17.456 3.429 218 H GLN 23 H GLN 23 9.688 13.127 1.095 219 HA GLN 23 HA GLN 23 12.251 13.383 2.525 220 HB2 GLN 23 2HB GLN 23 9.813 11.712 3.146 221 HB3 GLN 23 1HB GLN 23 11.293 11.719 4.095 222 HG2 GLN 23 2HG GLN 23 10.902 14.243 4.322 223 HG3 GLN 23 1HG GLN 23 9.266 13.899 3.763 224 HE21 GLN 23 1HE2 GLN 23 11.568 13.495 6.330 225 HE22 GLN 23 2HE2 GLN 23 10.448 12.946 7.525 226 H GLN 24 H GLN 24 10.475 11.311 0.348 227 HA GLN 24 HA GLN 24 11.045 9.432 -0.791 228 HB2 GLN 24 2HB GLN 24 13.879 10.311 -0.217 229 HB3 GLN 24 1HB GLN 24 13.374 9.184 -1.468 230 HG2 GLN 24 2HG GLN 24 12.449 12.037 -1.359 231 HG3 GLN 24 1HG GLN 24 13.892 11.520 -2.228 232 HE21 GLN 24 1HE2 GLN 24 12.034 12.749 -3.668 233 HE22 GLN 24 2HE2 GLN 24 11.168 11.637 -4.668 234 HA PRO 25 HA PRO 25 11.887 6.987 3.023 235 HB2 PRO 25 2HB PRO 25 9.593 5.646 3.161 236 HB3 PRO 25 1HB PRO 25 9.654 7.357 3.608 237 HG2 PRO 25 2HG PRO 25 8.743 6.107 1.037 238 HG3 PRO 25 1HG PRO 25 7.966 7.381 1.990 239 HD2 PRO 25 2HD PRO 25 9.552 7.853 -0.206 240 HD3 PRO 25 1HD PRO 25 9.300 9.025 1.103 241 HA PRO 26 HA PRO 26 13.089 3.271 0.902 242 HB2 PRO 26 2HB PRO 26 13.305 1.504 2.913 243 HB3 PRO 26 1HB PRO 26 14.382 2.902 2.797 244 HG2 PRO 26 2HG PRO 26 11.933 2.541 4.487 245 HG3 PRO 26 1HG PRO 26 13.514 3.206 4.941 246 HD2 PRO 26 2HD PRO 26 11.361 4.762 4.305 247 HD3 PRO 26 1HD PRO 26 13.041 5.271 4.047 248 H ASP 27 H ASP 27 10.221 3.177 2.928 249 HA ASP 27 HA ASP 27 9.068 1.129 1.159 250 HB2 ASP 27 2HB ASP 27 8.885 1.224 4.175 251 HB3 ASP 27 1HB ASP 27 7.886 0.190 3.160 252 H LEU 28 H LEU 28 7.031 1.483 0.514 253 HA LEU 28 HA LEU 28 5.885 4.075 1.072 254 HB2 LEU 28 2HB LEU 28 5.120 1.821 -0.774 255 HB3 LEU 28 1HB LEU 28 4.113 3.240 -0.571 256 HG LEU 28 HG LEU 28 5.597 3.262 -2.592 257 HD11 LEU 28 1HD1 LEU 28 4.641 5.304 -1.469 258 HD12 LEU 28 2HD1 LEU 28 6.078 5.568 -2.454 259 HD13 LEU 28 3HD1 LEU 28 6.213 5.513 -0.697 260 HD21 LEU 28 3HD2 LEU 28 7.929 3.627 -2.393 261 HD22 LEU 28 1HD2 LEU 28 7.552 2.221 -1.399 262 HD23 LEU 28 2HD2 LEU 28 7.826 3.789 -0.640 263 H VAL 29 H VAL 29 5.157 0.695 1.725 264 HA VAL 29 HA VAL 29 2.560 1.074 2.754 265 HB VAL 29 HB VAL 29 3.514 -1.120 2.038 266 HG11 VAL 29 1HG1 VAL 29 4.851 -1.170 4.735 267 HG12 VAL 29 2HG1 VAL 29 5.693 -0.821 3.226 268 HG13 VAL 29 3HG1 VAL 29 4.930 -2.391 3.466 269 HG21 VAL 29 3HG2 VAL 29 1.485 -1.339 3.130 270 HG22 VAL 29 1HG2 VAL 29 2.129 -0.776 4.671 271 HG23 VAL 29 2HG2 VAL 29 2.533 -2.388 4.084 272 H GLU 30 H GLU 30 5.741 1.018 4.327 273 HA GLU 30 HA GLU 30 4.686 1.285 6.970 274 HB2 GLU 30 2HB GLU 30 6.893 0.292 6.552 275 HB3 GLU 30 1HB GLU 30 7.469 1.826 5.916 276 HG2 GLU 30 2HG GLU 30 8.206 1.390 8.224 277 HG3 GLU 30 1HG GLU 30 7.255 2.865 8.066 278 H PHE 31 H PHE 31 6.287 3.533 4.728 279 HA PHE 31 HA PHE 31 6.135 5.810 6.341 280 HB2 PHE 31 2HB PHE 31 7.476 5.525 4.228 281 HB3 PHE 31 1HB PHE 31 5.984 5.777 3.328 282 HD1 PHE 31 2HD PHE 31 8.078 7.369 5.960 283 HD2 PHE 31 1HD PHE 31 5.406 7.922 2.696 284 HE1 PHE 31 2HE PHE 31 8.435 9.799 6.091 285 HE2 PHE 31 1HE PHE 31 5.757 10.360 2.825 286 HZ PHE 31 HZ PHE 31 7.274 11.298 4.520 287 H ALA 32 H ALA 32 3.698 4.206 4.479 288 HA ALA 32 HA ALA 32 1.914 6.428 4.289 289 HB1 ALA 32 1HB ALA 32 1.783 4.700 2.658 290 HB2 ALA 32 2HB ALA 32 0.269 4.737 3.566 291 HB3 ALA 32 3HB ALA 32 1.467 3.486 3.901 292 H VAL 33 H VAL 33 2.090 3.618 6.473 293 HA VAL 33 HA VAL 33 -0.264 4.380 7.911 294 HB VAL 33 HB VAL 33 0.692 2.042 7.847 295 HG11 VAL 33 1HG1 VAL 33 2.692 3.217 9.765 296 HG12 VAL 33 2HG1 VAL 33 3.008 2.424 8.225 297 HG13 VAL 33 3HG1 VAL 33 2.386 1.491 9.581 298 HG21 VAL 33 3HG2 VAL 33 -0.054 1.475 10.037 299 HG22 VAL 33 1HG2 VAL 33 -1.041 2.815 9.450 300 HG23 VAL 33 2HG2 VAL 33 0.248 3.110 10.619 301 H GLU 34 H GLU 34 3.134 5.197 8.072 302 HA GLU 34 HA GLU 34 3.048 6.318 10.698 303 HB2 GLU 34 2HB GLU 34 4.965 6.608 8.390 304 HB3 GLU 34 1HB GLU 34 5.174 7.502 9.890 305 HG2 GLU 34 2HG GLU 34 5.112 5.260 11.068 306 HG3 GLU 34 1HG GLU 34 5.269 4.532 9.469 307 H TYR 35 H TYR 35 2.418 7.503 7.469 308 HA TYR 35 HA TYR 35 2.254 10.276 8.231 309 HB2 TYR 35 2HB TYR 35 2.925 9.888 5.997 310 HB3 TYR 35 1HB TYR 35 1.616 8.748 5.715 311 HD1 TYR 35 2HD TYR 35 -0.780 9.676 5.668 312 HD2 TYR 35 1HD TYR 35 2.669 12.149 5.406 313 HE1 TYR 35 2HE TYR 35 -2.144 11.467 4.685 314 HE2 TYR 35 1HE TYR 35 1.318 13.949 4.410 315 HH TYR 35 HH TYR 35 -1.373 14.523 4.583 316 H PHE 36 H PHE 36 -0.048 7.658 7.628 317 HA PHE 36 HA PHE 36 -2.342 9.359 7.840 318 HB2 PHE 36 2HB PHE 36 -1.847 6.461 7.421 319 HB3 PHE 36 1HB PHE 36 -3.402 6.897 8.119 320 HD1 PHE 36 2HD PHE 36 -4.809 8.627 6.896 321 HD2 PHE 36 1HD PHE 36 -1.515 6.620 5.104 322 HE1 PHE 36 2HE PHE 36 -5.687 9.184 4.667 323 HE2 PHE 36 1HE PHE 36 -2.384 7.175 2.872 324 HZ PHE 36 HZ PHE 36 -4.473 8.457 2.651 325 H THR 37 H THR 37 -1.012 6.820 9.999 326 HA THR 37 HA THR 37 -2.877 7.051 12.025 327 HB THR 37 HB THR 37 -1.075 6.248 13.565 328 HG1 THR 37 1HG THR 37 0.495 6.686 11.262 329 HG21 THR 37 3HG2 THR 37 -2.311 4.595 12.353 330 HG22 THR 37 1HG2 THR 37 -0.613 4.134 12.418 331 HG23 THR 37 2HG2 THR 37 -1.287 4.813 10.935 332 H ARG 38 H ARG 38 0.252 8.778 11.849 333 HA ARG 38 HA ARG 38 0.017 10.311 14.124 334 HB2 ARG 38 2HB ARG 38 1.255 11.000 11.457 335 HB3 ARG 38 1HB ARG 38 1.424 12.016 12.883 336 HG2 ARG 38 2HG ARG 38 2.503 10.175 14.073 337 HG3 ARG 38 1HG ARG 38 2.331 9.153 12.646 338 HD2 ARG 38 2HD ARG 38 4.434 9.876 12.216 339 HD3 ARG 38 1HD ARG 38 3.592 11.274 11.550 340 HE ARG 38 HE ARG 38 4.521 12.527 13.207 341 HH11 ARG 38 1HH1 ARG 38 4.478 9.200 14.264 342 HH12 ARG 38 2HH1 ARG 38 5.335 9.524 15.733 343 HH21 ARG 38 1HH2 ARG 38 5.648 12.955 15.142 344 HH22 ARG 38 2HH2 ARG 38 5.998 11.655 16.232 345 H LEU 39 H LEU 39 -1.088 11.185 10.852 346 HA LEU 39 HA LEU 39 -2.181 13.655 11.347 347 HB2 LEU 39 2HB LEU 39 -2.067 12.206 9.169 348 HB3 LEU 39 1HB LEU 39 -3.679 11.697 9.634 349 HG LEU 39 HG LEU 39 -2.838 14.558 9.146 350 HD11 LEU 39 1HD1 LEU 39 -2.856 13.115 7.118 351 HD12 LEU 39 2HD1 LEU 39 -4.039 14.422 7.080 352 HD13 LEU 39 3HD1 LEU 39 -4.558 12.774 7.432 353 HD21 LEU 39 3HD2 LEU 39 -5.349 14.888 9.115 354 HD22 LEU 39 1HD2 LEU 39 -4.623 14.580 10.691 355 HD23 LEU 39 2HD2 LEU 39 -5.474 13.288 9.847 356 H ARG 40 H ARG 40 -3.916 10.543 11.561 357 HA ARG 40 HA ARG 40 -6.286 11.599 12.650 358 HB2 ARG 40 2HB ARG 40 -5.390 9.101 11.794 359 HB3 ARG 40 1HB ARG 40 -5.708 8.869 13.505 360 HG2 ARG 40 2HG ARG 40 -7.980 9.847 13.120 361 HG3 ARG 40 1HG ARG 40 -7.627 9.802 11.391 362 HD2 ARG 40 2HD ARG 40 -8.811 7.815 11.854 363 HD3 ARG 40 1HD ARG 40 -7.117 7.343 11.702 364 HE ARG 40 HE ARG 40 -7.761 7.917 14.399 365 HH11 ARG 40 1HH1 ARG 40 -8.178 5.476 11.936 366 HH12 ARG 40 2HH1 ARG 40 -8.327 4.178 13.072 367 HH21 ARG 40 1HH2 ARG 40 -7.956 6.207 15.893 368 HH22 ARG 40 2HH2 ARG 40 -8.201 4.592 15.317 369 H GLU 41 H GLU 41 -3.657 9.813 14.266 370 HA GLU 41 HA GLU 41 -4.549 10.059 16.873 371 HB2 GLU 41 2HB GLU 41 -1.721 9.947 15.819 372 HB3 GLU 41 1HB GLU 41 -2.145 9.768 17.515 373 HG2 GLU 41 2HG GLU 41 -3.394 7.770 17.047 374 HG3 GLU 41 1HG GLU 41 -3.151 7.983 15.313 375 H ALA 42 H ALA 42 -3.159 12.475 14.829 376 HA ALA 42 HA ALA 42 -1.957 14.247 16.519 377 HB1 ALA 42 1HB ALA 42 -2.297 14.484 14.036 378 HB2 ALA 42 2HB ALA 42 -2.468 15.970 14.972 379 HB3 ALA 42 3HB ALA 42 -3.902 15.121 14.395 380 H ARG 43 H ARG 43 -5.385 13.587 16.229 381 HA ARG 43 HA ARG 43 -6.167 15.785 17.932 382 HB2 ARG 43 2HB ARG 43 -8.407 15.010 17.635 383 HB3 ARG 43 1HB ARG 43 -7.597 14.869 16.083 384 HG2 ARG 43 2HG ARG 43 -8.541 12.822 16.072 385 HG3 ARG 43 1HG ARG 43 -7.142 12.396 17.056 386 HD2 ARG 43 2HD ARG 43 -8.744 13.187 19.021 387 HD3 ARG 43 1HD ARG 43 -9.989 12.766 17.846 388 HE ARG 43 HE ARG 43 -8.067 10.691 18.088 389 HH11 ARG 43 1HH1 ARG 43 -10.811 12.118 19.709 390 HH12 ARG 43 2HH1 ARG 43 -11.244 10.656 20.529 391 HH21 ARG 43 1HH2 ARG 43 -8.635 8.769 19.169 392 HH22 ARG 43 2HH2 ARG 43 -10.008 8.756 20.224 393 H ALA 44 H ALA 44 -7.300 15.476 19.969 394 HA ALA 44 HA ALA 44 -7.353 14.753 22.126 395 HB1 ALA 44 1HB ALA 44 -7.398 12.120 20.669 396 HB2 ALA 44 2HB ALA 44 -8.759 13.019 21.340 397 HB3 ALA 44 3HB ALA 44 -7.591 12.255 22.417 398 H1 GLY -7 1HT GLY -7 7.546 23.424 1.316 399 H2 GLY -7 2HT GLY -7 6.970 24.156 -0.095 400 H3 GLY -7 3HT GLY -7 8.078 24.972 0.887 401 HA2 GLY -7 1HA GLY -7 8.526 22.949 -1.128 402 HA3 GLY -7 2HA GLY -7 9.593 24.228 -0.568 403 H ALA -6 H ALA -6 9.645 23.618 2.165 404 HA ALA -6 HA ALA -6 10.807 22.365 3.665 405 HB1 ALA -6 1HB ALA -6 10.382 20.032 3.746 406 HB2 ALA -6 2HB ALA -6 10.016 19.970 2.022 407 HB3 ALA -6 3HB ALA -6 8.916 20.792 3.129 408 H MET -5 H MET -5 12.339 23.520 1.682 409 HA MET -5 HA MET -5 14.416 23.503 0.785 410 HB2 MET -5 2HB MET -5 14.682 21.136 2.640 411 HB3 MET -5 1HB MET -5 16.018 21.723 1.666 412 HG2 MET -5 2HG MET -5 14.604 23.709 3.354 413 HG3 MET -5 1HG MET -5 15.595 22.510 4.177 414 HE1 MET -5 3HE MET -5 16.850 26.089 1.737 415 HE2 MET -5 1HE MET -5 15.242 25.383 1.897 416 HE3 MET -5 2HE MET -5 16.364 24.761 0.686 417 H GLY -4 H GLY -4 12.603 22.675 -0.900 418 HA2 GLY -4 2HA GLY -4 12.702 20.120 -1.952 419 HA3 GLY -4 1HA GLY -4 12.334 21.564 -2.878 420 H SER -3 H SER -3 14.361 18.974 -2.702 421 HA SER -3 HA SER -3 16.860 20.123 -3.395 422 HB2 SER -3 2HB SER -3 16.519 17.803 -2.484 423 HB3 SER -3 1HB SER -3 15.892 17.336 -4.064 424 HG SER -3 HG SER -3 18.270 17.062 -3.525 425 H MET -2 H MET -2 16.065 21.679 -4.997 426 HA MET -2 HA MET -2 15.795 22.439 -7.124 427 HB2 MET -2 2HB MET -2 17.216 19.843 -7.737 428 HB3 MET -2 1HB MET -2 16.949 21.127 -8.907 429 HG2 MET -2 2HG MET -2 18.388 22.602 -7.785 430 HG3 MET -2 1HG MET -2 18.406 21.606 -6.331 431 HE1 MET -2 3HE MET -2 20.035 22.301 -9.803 432 HE2 MET -2 1HE MET -2 18.908 20.995 -10.173 433 HE3 MET -2 2HE MET -2 20.646 20.710 -10.255 434 H SER -1 H SER -1 14.829 21.953 -9.314 435 HA SER -1 HA SER -1 12.375 20.416 -8.916 436 HB2 SER -1 2HB SER -1 11.958 22.602 -9.737 437 HB3 SER -1 1HB SER -1 13.228 22.471 -10.955 438 HG SER -1 HG SER -1 11.085 22.190 -11.797 439 H HIS 2 H HIS 2 12.565 18.320 -9.403 440 HA HIS 2 HA HIS 2 12.781 17.331 -11.958 441 HB2 HIS 2 2HB HIS 2 15.029 16.170 -11.818 442 HB3 HIS 2 1HB HIS 2 15.105 17.908 -12.073 443 HD1 HIS 2 1HD HIS 2 17.622 17.334 -11.090 444 HD2 HIS 2 2HD HIS 2 14.443 17.291 -8.413 445 HE1 HIS 2 1HE HIS 2 18.661 17.534 -8.810 446 HE2 HIS 2 2HE HIS 2 16.725 17.421 -7.202 447 H ILE 3 H ILE 3 11.283 16.962 -9.605 448 HA ILE 3 HA ILE 3 11.981 14.599 -8.215 449 HB ILE 3 HB ILE 3 9.350 16.038 -8.527 450 HG12 ILE 3 2HG1 ILE 3 9.858 16.471 -6.032 451 HG13 ILE 3 1HG1 ILE 3 11.491 15.940 -6.402 452 HG21 ILE 3 1HG2 ILE 3 10.006 13.590 -6.909 453 HG22 ILE 3 2HG2 ILE 3 8.708 13.809 -8.082 454 HG23 ILE 3 3HG2 ILE 3 8.646 14.646 -6.534 455 HD11 ILE 3 3HD1 ILE 3 10.306 18.072 -8.093 456 HD12 ILE 3 1HD1 ILE 3 11.974 17.813 -7.584 457 HD13 ILE 3 2HD1 ILE 3 10.802 18.474 -6.450 458 H GLN 4 H GLN 4 11.081 12.508 -8.361 459 HA GLN 4 HA GLN 4 9.594 11.830 -10.792 460 HB2 GLN 4 2HB GLN 4 12.321 10.836 -10.046 461 HB3 GLN 4 1HB GLN 4 11.223 9.761 -10.901 462 HG2 GLN 4 2HG GLN 4 11.889 12.508 -11.908 463 HG3 GLN 4 1HG GLN 4 12.861 11.090 -12.301 464 HE21 GLN 4 1HE2 GLN 4 11.365 9.166 -12.991 465 HE22 GLN 4 2HE2 GLN 4 10.210 9.564 -14.213 466 H ILE 5 H ILE 5 8.096 10.288 -10.479 467 HA ILE 5 HA ILE 5 7.399 9.485 -7.867 468 HB ILE 5 HB ILE 5 6.439 8.296 -10.470 469 HG12 ILE 5 2HG1 ILE 5 6.093 10.698 -10.503 470 HG13 ILE 5 1HG1 ILE 5 4.549 9.896 -10.244 471 HG21 ILE 5 1HG2 ILE 5 5.944 7.022 -8.348 472 HG22 ILE 5 2HG2 ILE 5 4.541 7.513 -9.289 473 HG23 ILE 5 3HG2 ILE 5 4.983 8.410 -7.837 474 HD11 ILE 5 3HD1 ILE 5 4.955 10.323 -7.759 475 HD12 ILE 5 1HD1 ILE 5 4.526 11.698 -8.776 476 HD13 ILE 5 2HD1 ILE 5 6.204 11.448 -8.293 477 HA PRO 6 HA PRO 6 10.391 6.070 -7.567 478 HB2 PRO 6 2HB PRO 6 8.637 5.380 -5.252 479 HB3 PRO 6 1HB PRO 6 10.394 5.548 -5.322 480 HG2 PRO 6 2HG PRO 6 8.881 7.422 -4.183 481 HG3 PRO 6 1HG PRO 6 10.319 7.849 -5.130 482 HD2 PRO 6 2HD PRO 6 7.431 8.042 -5.871 483 HD3 PRO 6 1HD PRO 6 8.781 9.120 -6.279 484 HA PRO 7 HA PRO 7 7.956 2.618 -8.987 485 HB2 PRO 7 2HB PRO 7 9.400 0.496 -8.316 486 HB3 PRO 7 1HB PRO 7 10.103 1.768 -9.324 487 HG2 PRO 7 2HG PRO 7 10.506 1.217 -6.418 488 HG3 PRO 7 1HG PRO 7 11.677 1.766 -7.629 489 HD2 PRO 7 2HD PRO 7 10.278 3.389 -5.797 490 HD3 PRO 7 1HD PRO 7 11.201 3.952 -7.205 491 H GLY 8 H GLY 8 5.979 2.113 -8.227 492 HA2 GLY 8 2HA GLY 8 4.728 0.389 -7.034 493 HA3 GLY 8 1HA GLY 8 5.798 0.634 -5.666 494 H LEU 9 H LEU 9 5.705 3.561 -5.927 495 HA LEU 9 HA LEU 9 3.770 4.205 -4.099 496 HB2 LEU 9 2HB LEU 9 5.697 5.610 -5.014 497 HB3 LEU 9 1HB LEU 9 4.601 6.098 -6.289 498 HG LEU 9 HG LEU 9 3.817 6.473 -3.413 499 HD11 LEU 9 1HD1 LEU 9 4.855 8.592 -3.291 500 HD12 LEU 9 2HD1 LEU 9 5.334 8.539 -4.987 501 HD13 LEU 9 3HD1 LEU 9 6.105 7.466 -3.819 502 HD21 LEU 9 3HD2 LEU 9 3.104 7.836 -6.005 503 HD22 LEU 9 1HD2 LEU 9 2.600 8.414 -4.418 504 HD23 LEU 9 2HD2 LEU 9 2.064 6.839 -4.992 505 H THR 10 H THR 10 3.471 4.509 -7.643 506 HA THR 10 HA THR 10 0.893 5.527 -7.727 507 HB THR 10 HB THR 10 2.065 3.556 -9.693 508 HG1 THR 10 1HG THR 10 3.504 5.211 -9.514 509 HG21 THR 10 3HG2 THR 10 -0.177 5.530 -9.865 510 HG22 THR 10 1HG2 THR 10 -0.124 3.845 -10.387 511 HG23 THR 10 2HG2 THR 10 0.748 5.077 -11.298 512 H GLU 11 H GLU 11 1.916 2.131 -7.671 513 HA GLU 11 HA GLU 11 -0.656 1.011 -7.857 514 HB2 GLU 11 2HB GLU 11 1.550 -0.154 -8.240 515 HB3 GLU 11 1HB GLU 11 1.725 -0.243 -6.493 516 HG2 GLU 11 2HG GLU 11 -0.653 -1.367 -7.943 517 HG3 GLU 11 1HG GLU 11 0.818 -2.294 -7.655 518 H LEU 12 H LEU 12 1.300 1.895 -5.025 519 HA LEU 12 HA LEU 12 -0.342 0.722 -3.085 520 HB2 LEU 12 2HB LEU 12 1.725 2.856 -3.090 521 HB3 LEU 12 1HB LEU 12 0.662 2.796 -1.699 522 HG LEU 12 HG LEU 12 2.693 1.581 -1.233 523 HD11 LEU 12 1HD1 LEU 12 0.749 -0.639 -1.624 524 HD12 LEU 12 2HD1 LEU 12 0.302 0.708 -0.577 525 HD13 LEU 12 3HD1 LEU 12 1.748 -0.238 -0.229 526 HD21 LEU 12 3HD2 LEU 12 3.194 -0.511 -2.522 527 HD22 LEU 12 1HD2 LEU 12 3.458 0.993 -3.403 528 HD23 LEU 12 2HD2 LEU 12 2.017 0.026 -3.718 529 H LEU 13 H LEU 13 -0.283 4.156 -4.098 530 HA LEU 13 HA LEU 13 -2.531 4.929 -2.608 531 HB2 LEU 13 2HB LEU 13 -1.197 6.028 -5.065 532 HB3 LEU 13 1HB LEU 13 -2.685 6.744 -4.476 533 HG LEU 13 HG LEU 13 -1.644 7.343 -2.384 534 HD11 LEU 13 1HD1 LEU 13 -0.202 5.493 -1.985 535 HD12 LEU 13 2HD1 LEU 13 0.804 6.938 -2.067 536 HD13 LEU 13 3HD1 LEU 13 0.735 5.836 -3.436 537 HD21 LEU 13 3HD2 LEU 13 -1.369 8.897 -4.237 538 HD22 LEU 13 1HD2 LEU 13 0.103 8.066 -4.735 539 HD23 LEU 13 2HD2 LEU 13 0.053 8.920 -3.194 540 H GLN 14 H GLN 14 -2.196 3.425 -5.732 541 HA GLN 14 HA GLN 14 -4.908 3.769 -6.561 542 HB2 GLN 14 2HB GLN 14 -3.017 3.378 -8.124 543 HB3 GLN 14 1HB GLN 14 -2.871 1.742 -7.500 544 HG2 GLN 14 2HG GLN 14 -5.534 2.555 -8.514 545 HG3 GLN 14 1HG GLN 14 -4.251 2.353 -9.703 546 HE21 GLN 14 1HE2 GLN 14 -2.867 0.276 -9.074 547 HE22 GLN 14 2HE2 GLN 14 -3.822 -1.151 -8.886 548 H GLY 15 H GLY 15 -3.097 1.089 -5.092 549 HA2 GLY 15 2HA GLY 15 -5.099 -0.841 -5.110 550 HA3 GLY 15 1HA GLY 15 -3.807 -0.750 -3.922 551 H TYR 16 H TYR 16 -4.576 1.811 -2.856 552 HA TYR 16 HA TYR 16 -6.607 0.905 -1.023 553 HB2 TYR 16 2HB TYR 16 -4.795 2.142 -0.079 554 HB3 TYR 16 1HB TYR 16 -5.003 3.455 -1.232 555 HD1 TYR 16 1HD TYR 16 -6.796 1.696 1.522 556 HD2 TYR 16 2HD TYR 16 -6.243 5.338 -0.603 557 HE1 TYR 16 1HE TYR 16 -8.246 2.846 3.139 558 HE2 TYR 16 2HE TYR 16 -7.697 6.501 1.005 559 HH TYR 16 HH TYR 16 -9.647 5.732 2.614 560 H THR 17 H THR 17 -6.320 3.481 -3.440 561 HA THR 17 HA THR 17 -8.786 4.709 -3.028 562 HB THR 17 HB THR 17 -7.180 4.431 -5.571 563 HG1 THR 17 1HG THR 17 -6.299 6.353 -4.974 564 HG21 THR 17 3HG2 THR 17 -8.351 6.671 -6.071 565 HG22 THR 17 1HG2 THR 17 -9.582 6.093 -4.951 566 HG23 THR 17 2HG2 THR 17 -9.204 5.165 -6.401 567 H VAL 18 H VAL 18 -7.920 1.911 -4.958 568 HA VAL 18 HA VAL 18 -10.344 1.615 -6.345 569 HB VAL 18 HB VAL 18 -7.935 0.415 -6.484 570 HG11 VAL 18 1HG1 VAL 18 -9.636 -1.785 -5.350 571 HG12 VAL 18 2HG1 VAL 18 -8.461 -0.883 -4.390 572 HG13 VAL 18 3HG1 VAL 18 -7.927 -1.827 -5.781 573 HG21 VAL 18 3HG2 VAL 18 -9.663 0.493 -8.229 574 HG22 VAL 18 1HG2 VAL 18 -10.476 -0.872 -7.461 575 HG23 VAL 18 2HG2 VAL 18 -8.856 -1.072 -8.133 576 H GLU 19 H GLU 19 -9.380 0.769 -3.113 577 HA GLU 19 HA GLU 19 -11.636 -0.961 -2.621 578 HB2 GLU 19 2HB GLU 19 -9.522 0.232 -0.828 579 HB3 GLU 19 1HB GLU 19 -10.861 -0.718 -0.196 580 HG2 GLU 19 2HG GLU 19 -10.057 -2.493 -1.932 581 HG3 GLU 19 1HG GLU 19 -8.548 -1.585 -1.873 582 H VAL 20 H VAL 20 -10.729 2.374 -1.818 583 HA VAL 20 HA VAL 20 -12.926 3.028 -0.217 584 HB VAL 20 HB VAL 20 -11.562 4.926 -2.136 585 HG11 VAL 20 1HG1 VAL 20 -12.503 5.718 0.575 586 HG12 VAL 20 2HG1 VAL 20 -13.712 5.496 -0.689 587 HG13 VAL 20 3HG1 VAL 20 -12.411 6.661 -0.909 588 HG21 VAL 20 3HG2 VAL 20 -10.186 5.418 0.045 589 HG22 VAL 20 1HG2 VAL 20 -9.718 4.107 -1.032 590 HG23 VAL 20 2HG2 VAL 20 -10.613 3.755 0.441 591 H LEU 21 H LEU 21 -12.499 3.114 -3.709 592 HA LEU 21 HA LEU 21 -14.909 4.363 -4.388 593 HB2 LEU 21 2HB LEU 21 -13.107 2.452 -5.846 594 HB3 LEU 21 1HB LEU 21 -14.568 3.074 -6.593 595 HG LEU 21 HG LEU 21 -12.605 5.021 -5.452 596 HD11 LEU 21 1HD1 LEU 21 -11.076 3.769 -6.694 597 HD12 LEU 21 2HD1 LEU 21 -11.565 5.062 -7.785 598 HD13 LEU 21 3HD1 LEU 21 -12.239 3.444 -7.978 599 HD21 LEU 21 3HD2 LEU 21 -13.452 6.446 -7.184 600 HD22 LEU 21 1HD2 LEU 21 -14.815 5.726 -6.329 601 HD23 LEU 21 2HD2 LEU 21 -14.337 5.111 -7.910 602 H ARG 22 H ARG 22 -14.119 0.902 -4.178 603 HA ARG 22 HA ARG 22 -16.707 -0.007 -4.868 604 HB2 ARG 22 2HB ARG 22 -14.439 -1.368 -3.423 605 HB3 ARG 22 1HB ARG 22 -15.916 -2.190 -3.909 606 HG2 ARG 22 2HG ARG 22 -15.433 -1.575 -6.255 607 HG3 ARG 22 1HG ARG 22 -13.898 -0.888 -5.718 608 HD2 ARG 22 2HD ARG 22 -14.786 -3.760 -5.648 609 HD3 ARG 22 1HD ARG 22 -13.409 -3.062 -6.487 610 HE ARG 22 HE ARG 22 -12.229 -2.963 -4.477 611 HH11 ARG 22 1HH1 ARG 22 -15.448 -4.247 -3.962 612 HH12 ARG 22 2HH1 ARG 22 -15.067 -4.883 -2.400 613 HH21 ARG 22 1HH2 ARG 22 -11.748 -3.810 -2.428 614 HH22 ARG 22 2HH2 ARG 22 -12.976 -4.638 -1.530 615 H GLN 23 H GLN 23 -15.362 0.967 -1.772 616 HA GLN 23 HA GLN 23 -17.782 -0.057 -0.424 617 HB2 GLN 23 2HB GLN 23 -15.023 0.576 0.602 618 HB3 GLN 23 1HB GLN 23 -16.393 0.343 1.681 619 HG2 GLN 23 2HG GLN 23 -15.467 -1.694 -0.328 620 HG3 GLN 23 1HG GLN 23 -14.970 -1.669 1.363 621 HE21 GLN 23 1HE2 GLN 23 -17.003 -1.373 2.859 622 HE22 GLN 23 2HE2 GLN 23 -18.281 -2.492 2.545 623 H GLN 24 H GLN 24 -15.591 2.742 -0.392 624 HA GLN 24 HA GLN 24 -15.957 4.946 -0.031 625 HB2 GLN 24 2HB GLN 24 -18.917 4.415 -0.284 626 HB3 GLN 24 1HB GLN 24 -18.062 5.920 -0.577 627 HG2 GLN 24 2HG GLN 24 -16.944 4.894 -2.507 628 HG3 GLN 24 1HG GLN 24 -17.859 3.414 -2.229 629 HE21 GLN 24 1HE2 GLN 24 -18.334 4.071 -4.569 630 HE22 GLN 24 2HE2 GLN 24 -19.765 5.008 -4.809 631 HA PRO 25 HA PRO 25 -17.083 4.173 4.347 632 HB2 PRO 25 2HB PRO 25 -14.771 4.853 5.483 633 HB3 PRO 25 1HB PRO 25 -14.932 3.320 4.617 634 HG2 PRO 25 2HG PRO 25 -13.694 5.886 3.705 635 HG3 PRO 25 1HG PRO 25 -13.120 4.225 3.480 636 HD2 PRO 25 2HD PRO 25 -14.530 5.697 1.593 637 HD3 PRO 25 1HD PRO 25 -14.395 3.927 1.608 638 HA PRO 26 HA PRO 26 -17.983 8.334 5.566 639 HB2 PRO 26 2HB PRO 26 -17.243 7.933 8.364 640 HB3 PRO 26 1HB PRO 26 -18.850 8.073 7.651 641 HG2 PRO 26 2HG PRO 26 -17.903 5.753 8.689 642 HG3 PRO 26 1HG PRO 26 -19.055 5.804 7.340 643 HD2 PRO 26 2HD PRO 26 -16.083 5.396 7.280 644 HD3 PRO 26 1HD PRO 26 -17.355 4.542 6.383 645 H ASP 27 H ASP 27 -14.855 7.112 6.616 646 HA ASP 27 HA ASP 27 -13.768 9.836 6.385 647 HB2 ASP 27 2HB ASP 27 -13.853 8.202 8.766 648 HB3 ASP 27 1HB ASP 27 -12.180 8.465 8.294 649 H LEU 28 H LEU 28 -11.875 10.027 5.357 650 HA LEU 28 HA LEU 28 -10.923 7.728 3.884 651 HB2 LEU 28 2HB LEU 28 -10.205 10.655 3.859 652 HB3 LEU 28 1HB LEU 28 -9.325 9.475 2.910 653 HG LEU 28 HG LEU 28 -11.118 10.822 1.713 654 HD11 LEU 28 1HD1 LEU 28 -10.297 9.022 0.508 655 HD12 LEU 28 2HD1 LEU 28 -12.031 8.708 0.557 656 HD13 LEU 28 3HD1 LEU 28 -10.947 7.833 1.637 657 HD21 LEU 28 3HD2 LEU 28 -13.403 10.181 1.944 658 HD22 LEU 28 1HD2 LEU 28 -12.797 10.607 3.545 659 HD23 LEU 28 2HD2 LEU 28 -12.989 8.912 3.097 660 H VAL 29 H VAL 29 -9.794 9.898 6.406 661 HA VAL 29 HA VAL 29 -7.134 8.961 6.538 662 HB VAL 29 HB VAL 29 -7.862 11.115 7.499 663 HG11 VAL 29 1HG1 VAL 29 -10.006 10.320 8.440 664 HG12 VAL 29 2HG1 VAL 29 -9.040 11.236 9.594 665 HG13 VAL 29 3HG1 VAL 29 -9.109 9.479 9.703 666 HG21 VAL 29 3HG2 VAL 29 -5.757 10.244 8.236 667 HG22 VAL 29 1HG2 VAL 29 -6.543 9.192 9.412 668 HG23 VAL 29 2HG2 VAL 29 -6.579 10.940 9.630 669 H GLU 30 H GLU 30 -10.091 7.975 8.219 670 HA GLU 30 HA GLU 30 -8.789 6.185 10.009 671 HB2 GLU 30 2HB GLU 30 -11.096 7.226 10.276 672 HB3 GLU 30 1HB GLU 30 -11.671 6.020 9.132 673 HG2 GLU 30 2HG GLU 30 -10.780 4.263 10.673 674 HG3 GLU 30 1HG GLU 30 -10.459 5.544 11.843 675 H PHE 31 H PHE 31 -10.804 5.571 7.128 676 HA PHE 31 HA PHE 31 -10.417 2.814 7.006 677 HB2 PHE 31 2HB PHE 31 -12.105 4.090 5.708 678 HB3 PHE 31 1HB PHE 31 -10.813 4.693 4.675 679 HD1 PHE 31 2HD PHE 31 -12.196 1.466 5.935 680 HD2 PHE 31 1HD PHE 31 -10.387 3.571 2.712 681 HE1 PHE 31 2HE PHE 31 -12.429 -0.527 4.509 682 HE2 PHE 31 1HE PHE 31 -10.619 1.583 1.277 683 HZ PHE 31 HZ PHE 31 -11.640 -0.470 2.177 684 H ALA 32 H ALA 32 -8.281 5.387 6.134 685 HA ALA 32 HA ALA 32 -6.606 3.865 4.395 686 HB1 ALA 32 1HB ALA 32 -5.048 5.784 4.648 687 HB2 ALA 32 2HB ALA 32 -6.180 6.479 5.808 688 HB3 ALA 32 3HB ALA 32 -6.677 6.227 4.134 689 H VAL 33 H VAL 33 -6.431 4.716 7.835 690 HA VAL 33 HA VAL 33 -3.858 3.700 8.302 691 HB VAL 33 HB VAL 33 -6.217 3.971 10.168 692 HG11 VAL 33 1HG1 VAL 33 -3.399 3.085 10.744 693 HG12 VAL 33 2HG1 VAL 33 -4.911 2.291 11.187 694 HG13 VAL 33 3HG1 VAL 33 -4.440 3.793 11.980 695 HG21 VAL 33 3HG2 VAL 33 -5.100 5.937 10.964 696 HG22 VAL 33 1HG2 VAL 33 -5.207 6.037 9.207 697 HG23 VAL 33 2HG2 VAL 33 -3.681 5.591 9.975 698 H GLU 34 H GLU 34 -6.989 2.137 9.003 699 HA GLU 34 HA GLU 34 -6.070 -0.336 9.774 700 HB2 GLU 34 2HB GLU 34 -8.571 0.314 8.212 701 HB3 GLU 34 1HB GLU 34 -8.269 -1.217 9.023 702 HG2 GLU 34 2HG GLU 34 -8.042 0.080 11.160 703 HG3 GLU 34 1HG GLU 34 -8.623 1.490 10.277 704 H TYR 35 H TYR 35 -6.394 0.922 6.512 705 HA TYR 35 HA TYR 35 -6.101 -1.558 5.166 706 HB2 TYR 35 2HB TYR 35 -7.064 0.347 4.024 707 HB3 TYR 35 1HB TYR 35 -5.585 1.273 4.241 708 HD1 TYR 35 1HD TYR 35 -3.473 0.445 3.067 709 HD2 TYR 35 2HD TYR 35 -7.361 -0.995 2.104 710 HE1 TYR 35 1HE TYR 35 -2.636 -0.352 0.899 711 HE2 TYR 35 2HE TYR 35 -6.532 -1.792 -0.074 712 HH TYR 35 HH TYR 35 -4.260 -2.503 -1.025 713 H PHE 36 H PHE 36 -3.719 1.034 5.884 714 HA PHE 36 HA PHE 36 -1.571 -0.440 4.728 715 HB2 PHE 36 2HB PHE 36 -1.657 2.002 6.493 716 HB3 PHE 36 1HB PHE 36 -0.147 1.296 5.924 717 HD1 PHE 36 1HD PHE 36 -0.019 0.868 3.346 718 HD2 PHE 36 2HD PHE 36 -2.641 3.663 5.195 719 HE1 PHE 36 1HE PHE 36 -0.210 2.089 1.221 720 HE2 PHE 36 2HE PHE 36 -2.837 4.889 3.071 721 HZ PHE 36 HZ PHE 36 -1.620 4.100 1.079 722 H THR 37 H THR 37 -2.829 -0.122 8.010 723 HA THR 37 HA THR 37 -0.670 -1.375 9.333 724 HB THR 37 HB THR 37 -2.252 -1.758 11.172 725 HG1 THR 37 1HG THR 37 -4.150 -1.128 9.189 726 HG21 THR 37 3HG2 THR 37 -2.272 0.904 9.845 727 HG22 THR 37 1HG2 THR 37 -1.564 0.413 11.383 728 HG23 THR 37 2HG2 THR 37 -3.308 0.620 11.240 729 H ARG 38 H ARG 38 -3.650 -2.599 7.926 730 HA ARG 38 HA ARG 38 -3.462 -5.279 8.682 731 HB2 ARG 38 2HB ARG 38 -5.429 -4.203 7.578 732 HB3 ARG 38 1HB ARG 38 -4.550 -4.240 6.058 733 HG2 ARG 38 2HG ARG 38 -5.105 -6.727 7.651 734 HG3 ARG 38 1HG ARG 38 -6.252 -6.082 6.478 735 HD2 ARG 38 2HD ARG 38 -3.924 -6.112 5.032 736 HD3 ARG 38 1HD ARG 38 -3.735 -7.534 6.054 737 HE ARG 38 HE ARG 38 -6.282 -7.686 5.023 738 HH11 ARG 38 1HH1 ARG 38 -3.039 -7.572 3.736 739 HH12 ARG 38 2HH1 ARG 38 -3.436 -8.484 2.318 740 HH21 ARG 38 1HH2 ARG 38 -6.804 -8.885 3.161 741 HH22 ARG 38 2HH2 ARG 38 -5.573 -9.228 1.992 742 H LEU 39 H LEU 39 -2.031 -3.564 5.959 743 HA LEU 39 HA LEU 39 -0.857 -5.893 4.777 744 HB2 LEU 39 2HB LEU 39 -1.018 -3.053 4.180 745 HB3 LEU 39 1HB LEU 39 0.602 -3.658 3.907 746 HG LEU 39 HG LEU 39 -0.402 -5.448 2.451 747 HD11 LEU 39 1HD1 LEU 39 -2.682 -4.926 1.559 748 HD12 LEU 39 2HD1 LEU 39 -2.873 -3.788 2.892 749 HD13 LEU 39 3HD1 LEU 39 -2.649 -5.504 3.224 750 HD21 LEU 39 3HD2 LEU 39 -0.842 -2.571 1.661 751 HD22 LEU 39 1HD2 LEU 39 -0.773 -3.935 0.545 752 HD23 LEU 39 2HD2 LEU 39 0.652 -3.492 1.486 753 H ARG 40 H ARG 40 0.508 -3.148 6.605 754 HA ARG 40 HA ARG 40 3.130 -4.050 6.717 755 HB2 ARG 40 2HB ARG 40 1.524 -2.040 8.103 756 HB3 ARG 40 1HB ARG 40 2.771 -2.717 9.138 757 HG2 ARG 40 2HG ARG 40 3.336 -1.633 6.394 758 HG3 ARG 40 1HG ARG 40 3.397 -0.647 7.856 759 HD2 ARG 40 2HD ARG 40 4.976 -3.188 7.514 760 HD3 ARG 40 1HD ARG 40 5.599 -1.602 7.065 761 HE ARG 40 HE ARG 40 4.751 -1.337 9.655 762 HH11 ARG 40 1HH1 ARG 40 7.038 -3.373 7.976 763 HH12 ARG 40 2HH1 ARG 40 8.072 -3.558 9.353 764 HH21 ARG 40 1HH2 ARG 40 6.113 -1.581 11.465 765 HH22 ARG 40 2HH2 ARG 40 7.548 -2.541 11.332 766 H GLU 41 H GLU 41 0.443 -4.749 8.917 767 HA GLU 41 HA GLU 41 1.980 -6.183 10.808 768 HB2 GLU 41 2HB GLU 41 -0.968 -6.272 10.167 769 HB3 GLU 41 1HB GLU 41 -0.237 -7.093 11.542 770 HG2 GLU 41 2HG GLU 41 0.309 -5.091 12.603 771 HG3 GLU 41 1HG GLU 41 0.115 -4.149 11.127 772 H ALA 42 H ALA 42 1.078 -6.983 7.656 773 HA ALA 42 HA ALA 42 0.528 -9.695 7.746 774 HB1 ALA 42 1HB ALA 42 2.190 -8.309 5.647 775 HB2 ALA 42 2HB ALA 42 0.428 -8.278 5.716 776 HB3 ALA 42 3HB ALA 42 1.274 -9.804 5.460 777 H ARG 43 H ARG 43 3.727 -8.157 7.392 778 HA ARG 43 HA ARG 43 5.125 -10.641 7.640 779 HB2 ARG 43 2HB ARG 43 7.166 -9.239 7.771 780 HB3 ARG 43 1HB ARG 43 6.165 -8.885 6.375 781 HG2 ARG 43 2HG ARG 43 6.709 -6.770 7.053 782 HG3 ARG 43 1HG ARG 43 5.192 -6.999 7.911 783 HD2 ARG 43 2HD ARG 43 6.874 -5.984 9.344 784 HD3 ARG 43 1HD ARG 43 6.419 -7.572 9.946 785 HE ARG 43 HE ARG 43 8.620 -8.058 8.429 786 HH11 ARG 43 1HH1 ARG 43 7.943 -5.909 11.098 787 HH12 ARG 43 2HH1 ARG 43 9.580 -5.901 11.662 788 HH21 ARG 43 1HH2 ARG 43 10.767 -8.048 9.176 789 HH22 ARG 43 2HH2 ARG 43 11.180 -7.113 10.575 790 H ALA 44 H ALA 44 6.883 -10.898 9.310 791 HA ALA 44 HA ALA 44 7.330 -11.449 11.480 792 HB1 ALA 44 1HB ALA 44 6.466 -8.640 12.113 793 HB2 ALA 44 2HB ALA 44 7.957 -9.002 11.243 794 HB3 ALA 44 3HB ALA 44 7.726 -9.604 12.885 795 H1 ALA 578 1HT ALA 578 -11.033 -28.738 -5.053 796 H2 ALA 578 2HT ALA 578 -12.648 -29.028 -5.557 797 H3 ALA 578 3HT ALA 578 -11.645 -27.963 -6.455 798 HA ALA 578 HA ALA 578 -10.133 -29.969 -6.689 799 HB1 ALA 578 2HB ALA 578 -11.257 -31.420 -5.136 800 HB2 ALA 578 3HB ALA 578 -11.415 -32.088 -6.759 801 HB3 ALA 578 1HB ALA 578 -12.776 -31.251 -6.015 802 H MET 579 H MET 579 -13.596 -29.983 -7.558 803 HA MET 579 HA MET 579 -13.035 -30.373 -10.333 804 HB2 MET 579 2HB MET 579 -15.574 -29.657 -8.860 805 HB3 MET 579 1HB MET 579 -15.506 -29.952 -10.593 806 HG2 MET 579 2HG MET 579 -14.710 -32.221 -10.177 807 HG3 MET 579 1HG MET 579 -14.777 -31.926 -8.441 808 HE1 MET 579 3HE MET 579 -16.366 -33.581 -7.537 809 HE2 MET 579 1HE MET 579 -18.098 -33.252 -7.583 810 HE3 MET 579 2HE MET 579 -16.982 -32.016 -7.006 811 H ALA 580 H ALA 580 -14.255 -27.619 -8.437 812 HA ALA 580 HA ALA 580 -14.257 -25.379 -8.826 813 HB1 ALA 580 1HB ALA 580 -11.807 -25.878 -9.173 814 HB2 ALA 580 2HB ALA 580 -12.410 -24.417 -9.953 815 HB3 ALA 580 3HB ALA 580 -12.137 -25.875 -10.905 816 H ASP 581 H ASP 581 -15.942 -24.456 -9.791 817 HA ASP 581 HA ASP 581 -16.284 -24.762 -12.699 818 HB2 ASP 581 2HB ASP 581 -17.832 -26.294 -11.445 819 HB3 ASP 581 1HB ASP 581 -18.568 -24.868 -10.719 820 H ILE 582 H ILE 582 -15.036 -22.603 -11.767 821 HA ILE 582 HA ILE 582 -17.013 -20.471 -12.168 822 HB ILE 582 HB ILE 582 -14.840 -20.265 -10.080 823 HG12 ILE 582 2HG1 ILE 582 -17.026 -20.154 -8.576 824 HG13 ILE 582 1HG1 ILE 582 -17.708 -21.121 -9.878 825 HG21 ILE 582 1HG2 ILE 582 -17.113 -18.458 -10.880 826 HG22 ILE 582 2HG2 ILE 582 -15.382 -18.134 -10.995 827 HG23 ILE 582 3HG2 ILE 582 -16.155 -18.243 -9.415 828 HD11 ILE 582 3HD1 ILE 582 -16.943 -22.856 -8.710 829 HD12 ILE 582 1HD1 ILE 582 -15.844 -21.855 -7.762 830 HD13 ILE 582 2HD1 ILE 582 -15.360 -22.426 -9.359 831 H GLY 583 H GLY 583 -13.518 -21.069 -11.737 832 HA2 GLY 583 2HA GLY 583 -11.705 -20.344 -12.941 833 HA3 GLY 583 1HA GLY 583 -12.792 -20.274 -14.320 834 H SER 584 H SER 584 -11.459 -18.472 -11.620 835 HA SER 584 HA SER 584 -11.379 -16.056 -13.095 836 HB2 SER 584 2HB SER 584 -12.969 -14.730 -11.761 837 HB3 SER 584 1HB SER 584 -13.790 -16.032 -12.623 838 HG SER 584 HG SER 584 -14.272 -15.675 -10.278 839 H ALA 585 H ALA 585 -9.724 -14.902 -12.313 840 HA ALA 585 HA ALA 585 -9.224 -14.570 -9.521 841 HB1 ALA 585 1HB ALA 585 -7.007 -15.668 -9.482 842 HB2 ALA 585 2HB ALA 585 -7.347 -16.346 -11.075 843 HB3 ALA 585 3HB ALA 585 -8.340 -16.805 -9.690 844 H SER 586 H SER 586 -9.539 -12.989 -11.976 845 HA SER 586 HA SER 586 -6.924 -11.826 -12.470 846 HB2 SER 586 2HB SER 586 -9.644 -10.967 -13.489 847 HB3 SER 586 1HB SER 586 -8.081 -10.407 -14.086 848 HG SER 586 HG SER 586 -9.259 -12.234 -15.210 849 H GLY 587 H GLY 587 -10.012 -10.865 -11.015 850 HA2 GLY 587 2HA GLY 587 -8.955 -9.365 -8.945 851 HA3 GLY 587 1HA GLY 587 -9.157 -8.247 -10.288 852 H TYR 588 H TYR 588 -10.525 -8.190 -7.726 853 HA TYR 588 HA TYR 588 -13.252 -8.995 -8.404 854 HB2 TYR 588 2HB TYR 588 -13.719 -8.198 -6.035 855 HB3 TYR 588 1HB TYR 588 -12.648 -9.587 -6.187 856 HD1 TYR 588 1HD TYR 588 -12.698 -5.920 -5.637 857 HD2 TYR 588 2HD TYR 588 -10.452 -9.519 -5.311 858 HE1 TYR 588 1HE TYR 588 -10.992 -4.730 -4.327 859 HE2 TYR 588 2HE TYR 588 -8.741 -8.339 -3.999 860 HH TYR 588 HH TYR 588 -8.230 -5.311 -3.942 861 H VAL 589 H VAL 589 -11.705 -6.674 -9.584 862 HA VAL 589 HA VAL 589 -13.384 -4.419 -8.792 863 HB VAL 589 HB VAL 589 -11.864 -3.182 -10.494 864 HG11 VAL 589 1HG1 VAL 589 -11.757 -3.018 -7.996 865 HG12 VAL 589 2HG1 VAL 589 -10.228 -2.740 -8.820 866 HG13 VAL 589 3HG1 VAL 589 -10.530 -4.283 -8.027 867 HG21 VAL 589 3HG2 VAL 589 -11.012 -5.438 -11.396 868 HG22 VAL 589 1HG2 VAL 589 -9.989 -5.469 -9.961 869 HG23 VAL 589 2HG2 VAL 589 -9.834 -4.157 -11.127 870 HA PRO 590 HA PRO 590 -15.985 -5.409 -12.346 871 HB2 PRO 590 2HB PRO 590 -17.764 -3.369 -12.077 872 HB3 PRO 590 1HB PRO 590 -17.784 -4.805 -11.049 873 HG2 PRO 590 2HG PRO 590 -16.584 -2.113 -10.501 874 HG3 PRO 590 1HG PRO 590 -17.612 -3.109 -9.452 875 HD2 PRO 590 2HD PRO 590 -14.943 -3.050 -9.158 876 HD3 PRO 590 1HD PRO 590 -15.871 -4.536 -8.891 877 H GLU 591 H GLU 591 -13.662 -4.417 -13.205 878 HA GLU 591 HA GLU 591 -12.621 -3.209 -14.818 879 HB2 GLU 591 2HB GLU 591 -15.469 -3.207 -15.790 880 HB3 GLU 591 1HB GLU 591 -14.164 -2.502 -16.735 881 HG2 GLU 591 2HG GLU 591 -13.038 -4.625 -16.848 882 HG3 GLU 591 1HG GLU 591 -14.236 -5.354 -15.780 883 H GLU 592 H GLU 592 -15.639 -1.303 -14.881 884 HA GLU 592 HA GLU 592 -14.510 1.150 -15.254 885 HB2 GLU 592 2HB GLU 592 -17.049 0.327 -13.874 886 HB3 GLU 592 1HB GLU 592 -16.615 2.024 -14.024 887 HG2 GLU 592 2HG GLU 592 -18.034 1.592 -15.827 888 HG3 GLU 592 1HG GLU 592 -16.411 1.606 -16.516 889 H ILE 593 H ILE 593 -14.630 -0.646 -12.296 890 HA ILE 593 HA ILE 593 -14.114 1.552 -10.544 891 HB ILE 593 HB ILE 593 -14.196 -1.408 -10.299 892 HG12 ILE 593 2HG1 ILE 593 -16.134 0.194 -9.873 893 HG13 ILE 593 1HG1 ILE 593 -15.815 -0.999 -8.622 894 HG21 ILE 593 1HG2 ILE 593 -12.136 -1.124 -9.190 895 HG22 ILE 593 2HG2 ILE 593 -13.357 -1.234 -7.924 896 HG23 ILE 593 3HG2 ILE 593 -12.691 0.337 -8.371 897 HD11 ILE 593 3HD1 ILE 593 -15.112 1.925 -8.567 898 HD12 ILE 593 1HD1 ILE 593 -14.583 0.758 -7.357 899 HD13 ILE 593 2HD1 ILE 593 -16.299 1.081 -7.577 900 H TRP 594 H TRP 594 -12.149 -0.585 -12.476 901 HA TRP 594 HA TRP 594 -9.699 0.071 -11.117 902 HB2 TRP 594 2HB TRP 594 -10.016 -2.125 -12.220 903 HB3 TRP 594 1HB TRP 594 -10.087 -1.305 -13.778 904 HD1 TRP 594 HD TRP 594 -7.814 -0.456 -14.825 905 HE1 TRP 594 1HE TRP 594 -5.343 -0.876 -14.230 906 HE3 TRP 594 3HE TRP 594 -8.442 -2.548 -10.212 907 HZ2 TRP 594 2HZ TRP 594 -3.863 -1.970 -12.079 908 HZ3 TRP 594 3HZ TRP 594 -6.455 -3.256 -8.952 909 HH2 TRP 594 HH TRP 594 -4.215 -2.978 -9.868 910 H LYS 595 H LYS 595 -11.194 0.897 -14.221 911 HA LYS 595 HA LYS 595 -9.116 2.477 -15.213 912 HB2 LYS 595 2HB LYS 595 -12.100 2.761 -15.624 913 HB3 LYS 595 1HB LYS 595 -10.875 3.584 -16.582 914 HG2 LYS 595 2HG LYS 595 -10.120 1.577 -17.543 915 HG3 LYS 595 1HG LYS 595 -10.974 0.593 -16.355 916 HD2 LYS 595 2HD LYS 595 -12.133 0.546 -18.493 917 HD3 LYS 595 1HD LYS 595 -13.118 1.360 -17.277 918 HE2 LYS 595 2HE LYS 595 -12.593 3.502 -18.165 919 HE3 LYS 595 1HE LYS 595 -11.341 2.832 -19.211 920 HZ1 LYS 595 3HZ LYS 595 -12.981 2.933 -20.726 921 HZ2 LYS 595 1HZ LYS 595 -14.220 2.900 -19.574 922 HZ3 LYS 595 2HZ LYS 595 -13.462 1.462 -20.041 923 H LYS 596 H LYS 596 -11.884 3.328 -13.124 924 HA LYS 596 HA LYS 596 -11.325 6.077 -13.032 925 HB2 LYS 596 2HB LYS 596 -12.788 4.335 -11.046 926 HB3 LYS 596 1HB LYS 596 -12.845 6.090 -11.094 927 HG2 LYS 596 2HG LYS 596 -13.602 4.602 -13.558 928 HG3 LYS 596 1HG LYS 596 -14.728 4.591 -12.202 929 HD2 LYS 596 2HD LYS 596 -13.568 7.181 -13.177 930 HD3 LYS 596 1HD LYS 596 -14.920 6.437 -14.031 931 HE2 LYS 596 2HE LYS 596 -16.277 6.498 -12.049 932 HE3 LYS 596 1HE LYS 596 -14.918 7.065 -11.084 933 HZ1 LYS 596 3HZ LYS 596 -15.175 9.161 -11.802 934 HZ2 LYS 596 1HZ LYS 596 -16.751 8.670 -12.171 935 HZ3 LYS 596 2HZ LYS 596 -15.570 8.704 -13.381 936 H ALA 597 H ALA 597 -10.735 3.614 -10.445 937 HA ALA 597 HA ALA 597 -9.449 5.199 -8.645 938 HB1 ALA 597 1HB ALA 597 -8.487 2.411 -9.176 939 HB2 ALA 597 2HB ALA 597 -10.095 2.718 -8.523 940 HB3 ALA 597 3HB ALA 597 -8.669 3.254 -7.636 941 H GLU 598 H GLU 598 -8.096 3.739 -11.536 942 HA GLU 598 HA GLU 598 -5.379 4.303 -10.978 943 HB2 GLU 598 2HB GLU 598 -6.925 3.566 -13.435 944 HB3 GLU 598 1HB GLU 598 -5.270 4.130 -13.617 945 HG2 GLU 598 2HG GLU 598 -5.983 1.892 -11.749 946 HG3 GLU 598 1HG GLU 598 -5.669 1.616 -13.461 947 H GLU 599 H GLU 599 -7.951 6.151 -12.491 948 HA GLU 599 HA GLU 599 -6.325 8.228 -13.538 949 HB2 GLU 599 2HB GLU 599 -8.755 7.703 -14.121 950 HB3 GLU 599 1HB GLU 599 -9.189 8.544 -12.639 951 HG2 GLU 599 2HG GLU 599 -9.424 10.107 -14.379 952 HG3 GLU 599 1HG GLU 599 -7.935 10.534 -13.537 953 H ALA 600 H ALA 600 -8.144 7.915 -10.490 954 HA ALA 600 HA ALA 600 -7.736 10.388 -9.378 955 HB1 ALA 600 1HB ALA 600 -7.456 7.941 -7.688 956 HB2 ALA 600 2HB ALA 600 -8.984 8.310 -8.482 957 HB3 ALA 600 3HB ALA 600 -8.288 9.455 -7.335 958 H VAL 601 H VAL 601 -5.494 7.651 -9.347 959 HA VAL 601 HA VAL 601 -3.566 8.994 -7.717 960 HB VAL 601 HB VAL 601 -3.066 6.593 -9.475 961 HG11 VAL 601 1HG1 VAL 601 -1.020 7.514 -8.677 962 HG12 VAL 601 2HG1 VAL 601 -1.378 6.104 -7.683 963 HG13 VAL 601 3HG1 VAL 601 -1.675 7.725 -7.054 964 HG21 VAL 601 3HG2 VAL 601 -3.474 5.418 -7.193 965 HG22 VAL 601 1HG2 VAL 601 -4.855 5.880 -8.184 966 HG23 VAL 601 2HG2 VAL 601 -4.387 6.873 -6.804 967 H ASN 602 H ASN 602 -3.937 8.550 -11.196 968 HA ASN 602 HA ASN 602 -1.385 9.538 -11.930 969 HB2 ASN 602 2HB ASN 602 -4.014 9.256 -13.365 970 HB3 ASN 602 1HB ASN 602 -2.679 10.110 -14.134 971 HD21 ASN 602 1HD2 ASN 602 -3.134 7.119 -12.266 972 HD22 ASN 602 2HD2 ASN 602 -2.222 6.116 -13.337 973 H GLU 603 H GLU 603 -4.496 11.071 -11.341 974 HA GLU 603 HA GLU 603 -3.713 13.678 -12.156 975 HB2 GLU 603 2HB GLU 603 -6.085 12.759 -11.859 976 HB3 GLU 603 1HB GLU 603 -5.870 13.058 -10.140 977 HG2 GLU 603 2HG GLU 603 -5.482 15.428 -10.606 978 HG3 GLU 603 1HG GLU 603 -5.711 15.123 -12.327 979 H VAL 604 H VAL 604 -4.151 12.322 -8.845 980 HA VAL 604 HA VAL 604 -3.160 14.579 -7.553 981 HB VAL 604 HB VAL 604 -4.408 12.484 -6.600 982 HG11 VAL 604 1HG1 VAL 604 -1.613 11.779 -5.749 983 HG12 VAL 604 2HG1 VAL 604 -2.418 10.987 -7.106 984 HG13 VAL 604 3HG1 VAL 604 -3.104 10.877 -5.485 985 HG21 VAL 604 3HG2 VAL 604 -3.520 13.118 -4.325 986 HG22 VAL 604 1HG2 VAL 604 -4.124 14.441 -5.312 987 HG23 VAL 604 2HG2 VAL 604 -2.389 14.176 -5.155 988 H LYS 605 H LYS 605 -1.498 11.981 -9.098 989 HA LYS 605 HA LYS 605 1.043 12.429 -7.827 990 HB2 LYS 605 2HB LYS 605 0.104 10.797 -10.152 991 HB3 LYS 605 1HB LYS 605 1.823 11.112 -9.987 992 HG2 LYS 605 2HG LYS 605 1.591 10.210 -7.611 993 HG3 LYS 605 1HG LYS 605 0.021 9.599 -8.124 994 HD2 LYS 605 2HD LYS 605 2.738 8.877 -9.189 995 HD3 LYS 605 1HD LYS 605 1.561 7.822 -8.410 996 HE2 LYS 605 2HE LYS 605 1.261 7.255 -10.620 997 HE3 LYS 605 1HE LYS 605 0.049 8.518 -10.442 998 HZ1 LYS 605 3HZ LYS 605 1.201 9.930 -11.758 999 HZ2 LYS 605 1HZ LYS 605 1.818 8.490 -12.400 1000 HZ3 LYS 605 2HZ LYS 605 2.716 9.362 -11.263 1001 H ARG 606 H ARG 606 -0.356 13.279 -10.980 1002 HA ARG 606 HA ARG 606 1.896 14.698 -11.926 1003 HB2 ARG 606 2HB ARG 606 -0.189 13.903 -13.229 1004 HB3 ARG 606 1HB ARG 606 -0.943 15.387 -12.663 1005 HG2 ARG 606 2HG ARG 606 0.738 16.715 -13.772 1006 HG3 ARG 606 1HG ARG 606 1.611 15.259 -14.251 1007 HD2 ARG 606 2HD ARG 606 0.436 15.809 -16.172 1008 HD3 ARG 606 1HD ARG 606 -0.602 14.600 -15.423 1009 HE ARG 606 HE ARG 606 -1.132 17.442 -15.713 1010 HH11 ARG 606 1HH1 ARG 606 -2.108 14.428 -14.221 1011 HH12 ARG 606 2HH1 ARG 606 -3.720 14.971 -13.909 1012 HH21 ARG 606 1HH2 ARG 606 -3.248 18.142 -15.293 1013 HH22 ARG 606 2HH2 ARG 606 -4.367 17.074 -14.514 1014 H GLN 607 H GLN 607 -0.584 15.437 -9.648 1015 HA GLN 607 HA GLN 607 -0.252 18.291 -9.736 1016 HB2 GLN 607 2HB GLN 607 -1.776 16.396 -7.980 1017 HB3 GLN 607 1HB GLN 607 -1.606 18.086 -7.524 1018 HG2 GLN 607 2HG GLN 607 -2.605 18.731 -9.688 1019 HG3 GLN 607 1HG GLN 607 -2.855 17.025 -10.047 1020 HE21 GLN 607 1HE2 GLN 607 -4.360 15.847 -8.814 1021 HE22 GLN 607 2HE2 GLN 607 -5.616 16.642 -7.933 1022 H ALA 608 H ALA 608 0.507 15.870 -7.143 1023 HA ALA 608 HA ALA 608 1.752 17.473 -5.348 1024 HB1 ALA 608 1HB ALA 608 1.283 15.030 -5.139 1025 HB2 ALA 608 2HB ALA 608 2.847 15.545 -4.505 1026 HB3 ALA 608 3HB ALA 608 2.752 14.733 -6.069 1027 H MET 609 H MET 609 3.054 16.364 -8.387 1028 HA MET 609 HA MET 609 5.762 17.076 -7.790 1029 HB2 MET 609 2HB MET 609 6.155 16.830 -10.237 1030 HB3 MET 609 1HB MET 609 5.399 15.429 -9.490 1031 HG2 MET 609 2HG MET 609 3.323 15.890 -10.459 1032 HG3 MET 609 1HG MET 609 3.784 17.538 -10.878 1033 HE1 MET 609 3HE MET 609 4.599 13.649 -13.026 1034 HE2 MET 609 1HE MET 609 4.212 13.893 -11.322 1035 HE3 MET 609 2HE MET 609 5.885 14.000 -11.871 1036 H THR 610 H THR 610 3.046 18.829 -9.215 1037 HA THR 610 HA THR 610 4.557 21.003 -10.237 1038 HB THR 610 HB THR 610 1.964 21.901 -9.377 1039 HG1 THR 610 1HG THR 610 1.251 19.848 -9.198 1040 HG21 THR 610 3HG2 THR 610 3.074 21.160 -12.064 1041 HG22 THR 610 1HG2 THR 610 2.874 22.770 -11.372 1042 HG23 THR 610 2HG2 THR 610 1.457 21.822 -11.824 1043 H GLU 611 H GLU 611 2.830 20.529 -7.167 1044 HA GLU 611 HA GLU 611 3.496 23.034 -6.079 1045 HB2 GLU 611 2HB GLU 611 3.096 21.956 -3.836 1046 HB3 GLU 611 1HB GLU 611 1.775 21.832 -4.986 1047 HG2 GLU 611 2HG GLU 611 2.682 19.529 -5.537 1048 HG3 GLU 611 1HG GLU 611 3.675 19.693 -4.092 1049 H LEU 612 H LEU 612 5.369 20.262 -6.627 1050 HA LEU 612 HA LEU 612 7.471 20.962 -4.734 1051 HB2 LEU 612 2HB LEU 612 6.816 18.634 -6.426 1052 HB3 LEU 612 1HB LEU 612 8.532 18.945 -6.241 1053 HG LEU 612 HG LEU 612 6.826 18.880 -3.785 1054 HD11 LEU 612 1HD1 LEU 612 7.719 16.448 -5.315 1055 HD12 LEU 612 2HD1 LEU 612 6.076 16.892 -4.860 1056 HD13 LEU 612 3HD1 LEU 612 7.237 16.430 -3.619 1057 HD21 LEU 612 3HD2 LEU 612 8.917 17.867 -2.866 1058 HD22 LEU 612 1HD2 LEU 612 9.107 19.508 -3.481 1059 HD23 LEU 612 2HD2 LEU 612 9.672 18.136 -4.434 1060 H GLN 613 H GLN 613 7.009 20.823 -8.250 1061 HA GLN 613 HA GLN 613 9.576 21.549 -9.037 1062 HB2 GLN 613 2HB GLN 613 6.870 21.897 -10.290 1063 HB3 GLN 613 1HB GLN 613 8.292 22.578 -11.066 1064 HG2 GLN 613 2HG GLN 613 9.307 20.282 -10.987 1065 HG3 GLN 613 1HG GLN 613 7.730 19.688 -10.472 1066 HE21 GLN 613 1HE2 GLN 613 5.984 19.796 -11.922 1067 HE22 GLN 613 2HE2 GLN 613 6.236 19.944 -13.625 1068 H LYS 614 H LYS 614 7.176 23.441 -7.470 1069 HA LYS 614 HA LYS 614 8.367 25.972 -8.295 1070 HB2 LYS 614 2HB LYS 614 6.558 26.999 -6.970 1071 HB3 LYS 614 1HB LYS 614 5.942 25.882 -8.182 1072 HG2 LYS 614 2HG LYS 614 5.377 24.272 -6.597 1073 HG3 LYS 614 1HG LYS 614 6.412 24.982 -5.359 1074 HD2 LYS 614 2HD LYS 614 4.184 26.656 -6.419 1075 HD3 LYS 614 1HD LYS 614 3.757 25.303 -5.372 1076 HE2 LYS 614 2HE LYS 614 4.011 27.276 -4.028 1077 HE3 LYS 614 1HE LYS 614 5.341 26.174 -3.676 1078 HZ1 LYS 614 3HZ LYS 614 5.602 28.385 -5.626 1079 HZ2 LYS 614 1HZ LYS 614 6.834 27.498 -4.879 1080 HZ3 LYS 614 2HZ LYS 614 5.920 28.599 -3.978 1081 H ALA 615 H ALA 615 9.588 23.865 -6.456 1082 HA ALA 615 HA ALA 615 10.699 23.718 -4.462 1083 HB1 ALA 615 1HB ALA 615 12.234 25.017 -5.794 1084 HB2 ALA 615 2HB ALA 615 12.283 25.583 -4.124 1085 HB3 ALA 615 3HB ALA 615 11.410 26.510 -5.344 Start of MODEL 15 1 H1 GLY -7 1HT GLY -7 -33.195 -4.434 -12.329 2 H2 GLY -7 2HT GLY -7 -32.665 -3.525 -11.004 3 H3 GLY -7 3HT GLY -7 -34.267 -3.395 -11.532 4 HA2 GLY -7 1HA GLY -7 -34.466 -4.752 -9.688 5 HA3 GLY -7 2HA GLY -7 -34.451 -5.875 -11.039 6 H ALA -6 H ALA -6 -32.618 -4.568 -8.363 7 HA ALA -6 HA ALA -6 -30.814 -5.341 -7.209 8 HB1 ALA -6 1HB ALA -6 -30.595 -7.702 -6.933 9 HB2 ALA -6 2HB ALA -6 -31.447 -8.015 -8.444 10 HB3 ALA -6 3HB ALA -6 -32.315 -7.337 -7.067 11 H MET -5 H MET -5 -30.280 -4.168 -9.709 12 HA MET -5 HA MET -5 -27.609 -5.035 -10.124 13 HB2 MET -5 2HB MET -5 -29.015 -6.746 -11.415 14 HB3 MET -5 1HB MET -5 -29.391 -5.434 -12.523 15 HG2 MET -5 2HG MET -5 -27.598 -6.612 -13.481 16 HG3 MET -5 1HG MET -5 -26.910 -5.130 -12.820 17 HE1 MET -5 3HE MET -5 -24.471 -5.516 -12.186 18 HE2 MET -5 1HE MET -5 -24.695 -6.743 -13.432 19 HE3 MET -5 2HE MET -5 -23.840 -7.143 -11.942 20 H GLY -4 H GLY -4 -30.338 -3.371 -11.692 21 HA2 GLY -4 2HA GLY -4 -30.482 -1.064 -12.096 22 HA3 GLY -4 1HA GLY -4 -28.764 -0.913 -11.766 23 H SER -3 H SER -3 -28.524 -3.359 -13.704 24 HA SER -3 HA SER -3 -27.886 -3.633 -15.869 25 HB2 SER -3 2HB SER -3 -30.304 -3.487 -16.252 26 HB3 SER -3 1HB SER -3 -30.190 -1.732 -16.367 27 HG SER -3 HG SER -3 -29.122 -1.914 -18.267 28 H MET -2 H MET -2 -26.796 -1.336 -14.269 29 HA MET -2 HA MET -2 -25.157 -0.228 -16.293 30 HB2 MET -2 2HB MET -2 -27.234 1.098 -16.678 31 HB3 MET -2 1HB MET -2 -27.115 1.699 -15.029 32 HG2 MET -2 2HG MET -2 -25.031 2.793 -15.529 33 HG3 MET -2 1HG MET -2 -25.019 2.100 -17.149 34 HE1 MET -2 3HE MET -2 -25.026 4.192 -18.747 35 HE2 MET -2 1HE MET -2 -24.436 4.898 -17.243 36 HE3 MET -2 2HE MET -2 -25.675 5.730 -18.182 37 H SER -1 H SER -1 -23.287 0.471 -15.415 38 HA SER -1 HA SER -1 -22.804 0.072 -12.658 39 HB2 SER -1 2HB SER -1 -20.554 0.893 -13.119 40 HB3 SER -1 1HB SER -1 -21.069 -0.198 -14.405 41 HG SER -1 HG SER -1 -20.769 2.596 -14.450 42 H HIS 2 H HIS 2 -21.764 1.765 -11.254 43 HA HIS 2 HA HIS 2 -22.484 4.510 -11.693 44 HB2 HIS 2 2HB HIS 2 -24.656 3.698 -10.971 45 HB3 HIS 2 1HB HIS 2 -23.932 2.908 -9.574 46 HD1 HIS 2 1HD HIS 2 -25.691 5.878 -10.468 47 HD2 HIS 2 2HD HIS 2 -22.626 4.979 -7.811 48 HE1 HIS 2 1HE HIS 2 -25.662 7.770 -8.811 49 HE2 HIS 2 2HE HIS 2 -23.844 7.170 -7.172 50 H ILE 3 H ILE 3 -20.747 5.533 -11.027 51 HA ILE 3 HA ILE 3 -19.782 5.228 -8.349 52 HB ILE 3 HB ILE 3 -18.804 3.329 -9.834 53 HG12 ILE 3 2HG1 ILE 3 -17.027 5.103 -8.169 54 HG13 ILE 3 1HG1 ILE 3 -18.050 3.796 -7.582 55 HG21 ILE 3 1HG2 ILE 3 -17.054 3.777 -11.260 56 HG22 ILE 3 2HG2 ILE 3 -16.771 5.379 -10.579 57 HG23 ILE 3 3HG2 ILE 3 -18.173 5.094 -11.609 58 HD11 ILE 3 3HD1 ILE 3 -15.383 3.699 -8.710 59 HD12 ILE 3 1HD1 ILE 3 -16.484 2.578 -9.501 60 HD13 ILE 3 2HD1 ILE 3 -16.253 2.500 -7.755 61 H GLN 4 H GLN 4 -18.262 6.922 -7.791 62 HA GLN 4 HA GLN 4 -17.597 8.870 -9.851 63 HB2 GLN 4 2HB GLN 4 -18.644 10.739 -8.621 64 HB3 GLN 4 1HB GLN 4 -19.823 9.584 -9.228 65 HG2 GLN 4 2HG GLN 4 -19.769 8.540 -6.917 66 HG3 GLN 4 1HG GLN 4 -18.886 9.978 -6.405 67 HE21 GLN 4 1HE2 GLN 4 -19.954 11.902 -6.188 68 HE22 GLN 4 2HE2 GLN 4 -21.672 12.052 -6.301 69 H ILE 5 H ILE 5 -15.600 9.646 -9.491 70 HA ILE 5 HA ILE 5 -13.970 8.938 -7.381 71 HB ILE 5 HB ILE 5 -13.796 11.480 -9.007 72 HG12 ILE 5 2HG1 ILE 5 -13.741 9.541 -10.450 73 HG13 ILE 5 1HG1 ILE 5 -12.108 10.181 -10.318 74 HG21 ILE 5 1HG2 ILE 5 -12.419 11.794 -7.115 75 HG22 ILE 5 2HG2 ILE 5 -11.338 11.294 -8.416 76 HG23 ILE 5 3HG2 ILE 5 -11.824 10.134 -7.178 77 HD11 ILE 5 3HD1 ILE 5 -11.764 7.920 -10.127 78 HD12 ILE 5 1HD1 ILE 5 -13.245 7.661 -9.208 79 HD13 ILE 5 2HD1 ILE 5 -11.849 8.411 -8.435 80 HA PRO 6 HA PRO 6 -16.177 11.179 -4.098 81 HB2 PRO 6 2HB PRO 6 -13.725 10.325 -2.618 82 HB3 PRO 6 1HB PRO 6 -15.425 10.199 -2.149 83 HG2 PRO 6 2HG PRO 6 -14.091 8.060 -2.996 84 HG3 PRO 6 1HG PRO 6 -15.781 8.322 -3.459 85 HD2 PRO 6 2HD PRO 6 -13.298 8.691 -5.071 86 HD3 PRO 6 1HD PRO 6 -14.900 8.121 -5.575 87 HA PRO 7 HA PRO 7 -13.711 14.896 -3.885 88 HB2 PRO 7 2HB PRO 7 -15.107 16.283 -2.065 89 HB3 PRO 7 1HB PRO 7 -15.817 15.842 -3.622 90 HG2 PRO 7 2HG PRO 7 -16.355 14.737 -0.929 91 HG3 PRO 7 1HG PRO 7 -17.406 14.794 -2.355 92 HD2 PRO 7 2HD PRO 7 -15.809 12.589 -1.423 93 HD3 PRO 7 1HD PRO 7 -16.852 12.657 -2.855 94 H GLY 8 H GLY 8 -12.071 15.916 -2.684 95 HA2 GLY 8 2HA GLY 8 -10.717 16.339 -0.836 96 HA3 GLY 8 1HA GLY 8 -11.703 15.242 0.118 97 H LEU 9 H LEU 9 -11.330 13.228 -2.179 98 HA LEU 9 HA LEU 9 -9.440 11.601 -1.039 99 HB2 LEU 9 2HB LEU 9 -11.117 11.402 -3.195 100 HB3 LEU 9 1HB LEU 9 -9.553 11.420 -3.984 101 HG LEU 9 HG LEU 9 -8.972 9.556 -2.217 102 HD11 LEU 9 1HD1 LEU 9 -11.877 8.926 -2.499 103 HD12 LEU 9 2HD1 LEU 9 -11.332 9.976 -1.193 104 HD13 LEU 9 3HD1 LEU 9 -10.704 8.333 -1.325 105 HD21 LEU 9 3HD2 LEU 9 -8.979 9.247 -4.641 106 HD22 LEU 9 1HD2 LEU 9 -10.728 9.025 -4.612 107 HD23 LEU 9 2HD2 LEU 9 -9.676 7.853 -3.817 108 H THR 10 H THR 10 -8.907 13.542 -3.980 109 HA THR 10 HA THR 10 -6.235 13.089 -4.331 110 HB THR 10 HB THR 10 -6.288 15.586 -5.215 111 HG1 THR 10 1HG THR 10 -8.168 16.260 -4.275 112 HG21 THR 10 3HG2 THR 10 -7.630 14.843 -7.214 113 HG22 THR 10 1HG2 THR 10 -7.833 13.299 -6.387 114 HG23 THR 10 2HG2 THR 10 -6.218 13.866 -6.812 115 H GLU 11 H GLU 11 -7.697 15.576 -2.272 116 HA GLU 11 HA GLU 11 -5.356 16.851 -1.461 117 HB2 GLU 11 2HB GLU 11 -7.777 17.545 -1.047 118 HB3 GLU 11 1HB GLU 11 -7.751 16.446 0.324 119 HG2 GLU 11 2HG GLU 11 -5.802 18.705 -0.036 120 HG3 GLU 11 1HG GLU 11 -7.314 18.846 0.860 121 H LEU 12 H LEU 12 -6.878 13.901 -0.254 122 HA LEU 12 HA LEU 12 -5.185 13.678 2.033 123 HB2 LEU 12 2HB LEU 12 -7.256 12.000 0.730 124 HB3 LEU 12 1HB LEU 12 -6.099 11.167 1.749 125 HG LEU 12 HG LEU 12 -8.161 11.740 2.953 126 HD11 LEU 12 1HD1 LEU 12 -7.147 12.418 4.928 127 HD12 LEU 12 2HD1 LEU 12 -5.973 13.438 4.100 128 HD13 LEU 12 3HD1 LEU 12 -5.826 11.681 4.022 129 HD21 LEU 12 3HD2 LEU 12 -8.874 13.729 1.878 130 HD22 LEU 12 1HD2 LEU 12 -7.373 14.566 2.273 131 HD23 LEU 12 2HD2 LEU 12 -8.517 14.155 3.550 132 H LEU 13 H LEU 13 -5.164 12.148 -1.187 133 HA LEU 13 HA LEU 13 -2.933 10.478 -0.604 134 HB2 LEU 13 2HB LEU 13 -3.924 11.363 -3.310 135 HB3 LEU 13 1HB LEU 13 -2.924 9.966 -2.965 136 HG LEU 13 HG LEU 13 -5.684 10.196 -1.796 137 HD11 LEU 13 1HD1 LEU 13 -6.564 8.967 -3.703 138 HD12 LEU 13 2HD1 LEU 13 -4.994 9.065 -4.502 139 HD13 LEU 13 3HD1 LEU 13 -5.925 10.533 -4.204 140 HD21 LEU 13 3HD2 LEU 13 -5.557 7.837 -1.610 141 HD22 LEU 13 1HD2 LEU 13 -4.025 8.473 -1.008 142 HD23 LEU 13 2HD2 LEU 13 -4.114 7.766 -2.621 143 H GLN 14 H GLN 14 -3.312 13.686 -1.985 144 HA GLN 14 HA GLN 14 -0.758 13.987 -3.070 145 HB2 GLN 14 2HB GLN 14 -2.865 15.520 -3.218 146 HB3 GLN 14 1HB GLN 14 -2.182 16.305 -1.803 147 HG2 GLN 14 2HG GLN 14 -0.063 16.099 -3.615 148 HG3 GLN 14 1HG GLN 14 -1.458 16.555 -4.589 149 HE21 GLN 14 1HE2 GLN 14 -2.205 18.605 -4.484 150 HE22 GLN 14 2HE2 GLN 14 -1.535 19.837 -3.475 151 H GLY 15 H GLY 15 -1.931 14.584 0.216 152 HA2 GLY 15 2HA GLY 15 0.334 15.829 1.268 153 HA3 GLY 15 1HA GLY 15 -0.775 14.820 2.188 154 H TYR 16 H TYR 16 -0.436 12.383 0.990 155 HA TYR 16 HA TYR 16 2.008 11.492 2.162 156 HB2 TYR 16 2HB TYR 16 0.101 10.025 2.195 157 HB3 TYR 16 1HB TYR 16 -0.063 10.108 0.447 158 HD1 TYR 16 1HD TYR 16 2.112 8.846 3.176 159 HD2 TYR 16 2HD TYR 16 1.086 8.580 -0.942 160 HE1 TYR 16 1HE TYR 16 3.489 6.816 2.971 161 HE2 TYR 16 2HE TYR 16 2.454 6.545 -1.159 162 HH TYR 16 HH TYR 16 4.740 5.642 0.949 163 H THR 17 H THR 17 0.815 11.769 -1.160 164 HA THR 17 HA THR 17 3.001 10.776 -2.539 165 HB THR 17 HB THR 17 1.298 13.084 -3.476 166 HG1 THR 17 1HG THR 17 0.660 10.395 -3.081 167 HG21 THR 17 3HG2 THR 17 3.296 12.008 -4.851 168 HG22 THR 17 1HG2 THR 17 1.796 12.531 -5.618 169 HG23 THR 17 2HG2 THR 17 2.046 10.825 -5.237 170 H VAL 18 H VAL 18 2.299 14.213 -1.917 171 HA VAL 18 HA VAL 18 4.673 15.223 -2.970 172 HB VAL 18 HB VAL 18 2.522 16.472 -2.323 173 HG11 VAL 18 1HG1 VAL 18 2.338 17.443 -0.186 174 HG12 VAL 18 2HG1 VAL 18 3.963 16.934 0.275 175 HG13 VAL 18 3HG1 VAL 18 2.681 15.736 0.098 176 HG21 VAL 18 3HG2 VAL 18 5.256 17.630 -1.816 177 HG22 VAL 18 1HG2 VAL 18 3.788 18.597 -1.971 178 HG23 VAL 18 2HG2 VAL 18 4.353 17.625 -3.332 179 H GLU 19 H GLU 19 3.999 13.994 0.267 180 HA GLU 19 HA GLU 19 6.452 15.014 1.369 181 HB2 GLU 19 2HB GLU 19 4.303 13.171 2.364 182 HB3 GLU 19 1HB GLU 19 5.832 13.267 3.225 183 HG2 GLU 19 2HG GLU 19 5.175 15.917 2.924 184 HG3 GLU 19 1HG GLU 19 3.600 15.161 3.139 185 H VAL 20 H VAL 20 5.349 11.864 0.170 186 HA VAL 20 HA VAL 20 7.575 10.343 0.848 187 HB VAL 20 HB VAL 20 5.625 10.137 -1.436 188 HG11 VAL 20 1HG1 VAL 20 6.651 7.782 -1.725 189 HG12 VAL 20 2HG1 VAL 20 8.080 8.480 -0.970 190 HG13 VAL 20 3HG1 VAL 20 7.461 9.154 -2.475 191 HG21 VAL 20 3HG2 VAL 20 4.692 8.347 -0.226 192 HG22 VAL 20 1HG2 VAL 20 5.026 9.593 0.976 193 HG23 VAL 20 2HG2 VAL 20 6.106 8.208 0.819 194 H LEU 21 H LEU 21 7.044 12.466 -1.913 195 HA LEU 21 HA LEU 21 9.507 11.807 -3.214 196 HB2 LEU 21 2HB LEU 21 7.375 13.871 -3.584 197 HB3 LEU 21 1HB LEU 21 8.913 14.099 -4.393 198 HG LEU 21 HG LEU 21 8.628 12.201 -5.747 199 HD11 LEU 21 1HD1 LEU 21 7.981 10.509 -4.261 200 HD12 LEU 21 2HD1 LEU 21 6.635 10.657 -5.385 201 HD13 LEU 21 3HD1 LEU 21 6.520 11.367 -3.778 202 HD21 LEU 21 3HD2 LEU 21 7.191 14.115 -6.351 203 HD22 LEU 21 1HD2 LEU 21 5.870 13.383 -5.439 204 HD23 LEU 21 2HD2 LEU 21 6.518 12.567 -6.863 205 H ARG 22 H ARG 22 8.418 14.454 -1.115 206 HA ARG 22 HA ARG 22 10.776 15.978 -1.284 207 HB2 ARG 22 2HB ARG 22 8.399 16.560 -0.400 208 HB3 ARG 22 1HB ARG 22 9.001 15.961 1.138 209 HG2 ARG 22 2HG ARG 22 10.441 17.722 1.419 210 HG3 ARG 22 1HG ARG 22 10.613 18.006 -0.315 211 HD2 ARG 22 2HD ARG 22 9.321 19.769 0.866 212 HD3 ARG 22 1HD ARG 22 8.433 18.977 -0.438 213 HE ARG 22 HE ARG 22 7.784 17.587 1.838 214 HH11 ARG 22 1HH1 ARG 22 7.500 20.889 0.743 215 HH12 ARG 22 2HH1 ARG 22 6.083 21.210 1.685 216 HH21 ARG 22 1HH2 ARG 22 5.921 18.009 3.079 217 HH22 ARG 22 2HH2 ARG 22 5.187 19.576 3.011 218 H GLN 23 H GLN 23 10.024 13.125 0.545 219 HA GLN 23 HA GLN 23 12.478 13.487 2.151 220 HB2 GLN 23 2HB GLN 23 10.282 13.249 3.370 221 HB3 GLN 23 1HB GLN 23 10.198 11.606 2.751 222 HG2 GLN 23 2HG GLN 23 11.050 11.576 4.993 223 HG3 GLN 23 1HG GLN 23 12.329 11.102 3.876 224 HE21 GLN 23 1HE2 GLN 23 11.097 13.713 5.867 225 HE22 GLN 23 2HE2 GLN 23 12.598 14.555 6.025 226 H GLN 24 H GLN 24 10.613 11.072 0.331 227 HA GLN 24 HA GLN 24 11.245 9.187 -0.774 228 HB2 GLN 24 2HB GLN 24 14.103 10.134 -0.538 229 HB3 GLN 24 1HB GLN 24 13.421 9.059 -1.748 230 HG2 GLN 24 2HG GLN 24 12.527 11.909 -1.478 231 HG3 GLN 24 1HG GLN 24 13.932 11.453 -2.437 232 HE21 GLN 24 1HE2 GLN 24 12.226 12.647 -3.910 233 HE22 GLN 24 2HE2 GLN 24 11.238 11.582 -4.843 234 HA PRO 25 HA PRO 25 12.590 7.229 3.172 235 HB2 PRO 25 2HB PRO 25 10.368 5.853 3.734 236 HB3 PRO 25 1HB PRO 25 10.469 7.591 4.040 237 HG2 PRO 25 2HG PRO 25 9.151 6.139 1.784 238 HG3 PRO 25 1HG PRO 25 8.590 7.559 2.683 239 HD2 PRO 25 2HD PRO 25 9.853 7.628 0.207 240 HD3 PRO 25 1HD PRO 25 9.737 8.998 1.328 241 HA PRO 26 HA PRO 26 13.670 3.278 1.517 242 HB2 PRO 26 2HB PRO 26 13.194 1.834 4.008 243 HB3 PRO 26 1HB PRO 26 14.728 2.292 3.268 244 HG2 PRO 26 2HG PRO 26 13.804 3.403 5.571 245 HG3 PRO 26 1HG PRO 26 14.847 4.270 4.428 246 HD2 PRO 26 2HD PRO 26 11.873 4.431 4.781 247 HD3 PRO 26 1HD PRO 26 13.051 5.735 4.522 248 H ASP 27 H ASP 27 10.674 3.299 3.394 249 HA ASP 27 HA ASP 27 9.576 1.282 1.544 250 HB2 ASP 27 2HB ASP 27 10.120 0.186 3.689 251 HB3 ASP 27 1HB ASP 27 9.103 1.349 4.530 252 H LEU 28 H LEU 28 7.673 1.774 0.697 253 HA LEU 28 HA LEU 28 6.512 4.334 1.265 254 HB2 LEU 28 2HB LEU 28 5.602 2.110 -0.567 255 HB3 LEU 28 1HB LEU 28 4.880 3.702 -0.489 256 HG LEU 28 HG LEU 28 6.286 3.651 -2.405 257 HD11 LEU 28 1HD1 LEU 28 7.619 5.535 -2.053 258 HD12 LEU 28 2HD1 LEU 28 7.945 5.107 -0.374 259 HD13 LEU 28 3HD1 LEU 28 6.341 5.670 -0.846 260 HD21 LEU 28 3HD2 LEU 28 8.704 2.994 -0.758 261 HD22 LEU 28 1HD2 LEU 28 8.480 2.893 -2.503 262 HD23 LEU 28 2HD2 LEU 28 7.700 1.718 -1.446 263 H VAL 29 H VAL 29 5.263 0.983 1.398 264 HA VAL 29 HA VAL 29 2.802 1.467 2.532 265 HB VAL 29 HB VAL 29 4.577 -0.855 3.306 266 HG11 VAL 29 1HG1 VAL 29 2.383 -2.030 3.532 267 HG12 VAL 29 2HG1 VAL 29 1.587 -0.471 3.317 268 HG13 VAL 29 3HG1 VAL 29 2.641 -0.740 4.705 269 HG21 VAL 29 3HG2 VAL 29 2.960 -0.344 0.832 270 HG22 VAL 29 1HG2 VAL 29 3.227 -1.990 1.407 271 HG23 VAL 29 2HG2 VAL 29 4.601 -0.970 0.982 272 H GLU 30 H GLU 30 5.941 1.286 4.117 273 HA GLU 30 HA GLU 30 4.966 1.434 6.779 274 HB2 GLU 30 2HB GLU 30 7.309 0.727 5.872 275 HB3 GLU 30 1HB GLU 30 7.676 2.444 5.969 276 HG2 GLU 30 2HG GLU 30 7.098 2.407 8.358 277 HG3 GLU 30 1HG GLU 30 6.805 0.673 8.240 278 H PHE 31 H PHE 31 6.515 3.882 4.702 279 HA PHE 31 HA PHE 31 6.218 6.068 6.370 280 HB2 PHE 31 2HB PHE 31 7.521 5.981 4.237 281 HB3 PHE 31 1HB PHE 31 6.001 6.140 3.363 282 HD1 PHE 31 1HD PHE 31 8.092 7.818 5.935 283 HD2 PHE 31 2HD PHE 31 5.159 8.251 2.890 284 HE1 PHE 31 1HE PHE 31 8.256 10.266 6.133 285 HE2 PHE 31 2HE PHE 31 5.313 10.700 3.077 286 HZ PHE 31 HZ PHE 31 6.866 11.710 4.701 287 H ALA 32 H ALA 32 3.793 4.437 4.506 288 HA ALA 32 HA ALA 32 1.911 6.587 4.454 289 HB1 ALA 32 1HB ALA 32 1.599 3.632 4.009 290 HB2 ALA 32 2HB ALA 32 1.732 4.904 2.793 291 HB3 ALA 32 3HB ALA 32 0.296 4.805 3.814 292 H VAL 33 H VAL 33 2.297 3.733 6.535 293 HA VAL 33 HA VAL 33 0.011 4.350 8.144 294 HB VAL 33 HB VAL 33 2.065 2.892 9.631 295 HG11 VAL 33 1HG1 VAL 33 -0.598 1.943 8.593 296 HG12 VAL 33 2HG1 VAL 33 -0.390 2.904 10.056 297 HG13 VAL 33 3HG1 VAL 33 0.317 1.292 9.952 298 HG21 VAL 33 3HG2 VAL 33 1.957 0.828 8.185 299 HG22 VAL 33 1HG2 VAL 33 2.976 2.135 7.585 300 HG23 VAL 33 2HG2 VAL 33 1.378 1.867 6.884 301 H GLU 34 H GLU 34 3.428 5.159 8.184 302 HA GLU 34 HA GLU 34 3.442 6.381 10.745 303 HB2 GLU 34 2HB GLU 34 5.215 6.829 8.336 304 HB3 GLU 34 1HB GLU 34 5.524 7.497 9.932 305 HG2 GLU 34 2HG GLU 34 5.279 4.551 9.396 306 HG3 GLU 34 1HG GLU 34 6.808 5.427 9.350 307 H TYR 35 H TYR 35 2.712 7.518 7.505 308 HA TYR 35 HA TYR 35 2.491 10.282 8.269 309 HB2 TYR 35 2HB TYR 35 3.177 9.695 6.005 310 HB3 TYR 35 1HB TYR 35 1.649 8.861 5.737 311 HD1 TYR 35 2HD TYR 35 -0.494 10.228 5.790 312 HD2 TYR 35 1HD TYR 35 3.366 12.011 5.586 313 HE1 TYR 35 2HE TYR 35 -1.508 12.318 4.994 314 HE2 TYR 35 1HE TYR 35 2.359 14.110 4.787 315 HH TYR 35 HH TYR 35 0.456 15.047 3.958 316 H PHE 36 H PHE 36 0.133 7.755 7.352 317 HA PHE 36 HA PHE 36 -2.121 9.430 7.687 318 HB2 PHE 36 2HB PHE 36 -1.683 6.514 7.261 319 HB3 PHE 36 1HB PHE 36 -3.259 7.027 7.843 320 HD1 PHE 36 2HD PHE 36 -4.557 8.718 6.511 321 HD2 PHE 36 1HD PHE 36 -1.113 6.739 4.981 322 HE1 PHE 36 2HE PHE 36 -5.244 9.296 4.222 323 HE2 PHE 36 1HE PHE 36 -1.793 7.317 2.690 324 HZ PHE 36 HZ PHE 36 -3.862 8.595 2.307 325 H THR 37 H THR 37 -0.745 6.920 9.845 326 HA THR 37 HA THR 37 -2.688 7.053 11.823 327 HB THR 37 HB THR 37 -0.993 6.215 13.384 328 HG1 THR 37 1HG THR 37 0.785 6.952 11.321 329 HG21 THR 37 3HG2 THR 37 -1.718 4.391 12.230 330 HG22 THR 37 1HG2 THR 37 -0.004 4.366 11.818 331 HG23 THR 37 2HG2 THR 37 -1.177 5.016 10.673 332 H ARG 38 H ARG 38 0.292 8.980 11.549 333 HA ARG 38 HA ARG 38 0.113 10.454 13.869 334 HB2 ARG 38 2HB ARG 38 1.153 11.140 11.134 335 HB3 ARG 38 1HB ARG 38 1.189 12.332 12.427 336 HG2 ARG 38 2HG ARG 38 2.557 10.854 13.782 337 HG3 ARG 38 1HG ARG 38 2.486 9.616 12.527 338 HD2 ARG 38 2HD ARG 38 3.726 10.970 11.012 339 HD3 ARG 38 1HD ARG 38 3.592 12.379 12.059 340 HE ARG 38 HE ARG 38 5.515 10.272 12.241 341 HH11 ARG 38 1HH1 ARG 38 3.753 12.637 14.114 342 HH12 ARG 38 2HH1 ARG 38 4.942 12.710 15.369 343 HH21 ARG 38 1HH2 ARG 38 7.076 10.368 13.898 344 HH22 ARG 38 2HH2 ARG 38 6.825 11.423 15.249 345 H LEU 39 H LEU 39 -1.229 11.391 10.698 346 HA LEU 39 HA LEU 39 -2.532 13.700 11.468 347 HB2 LEU 39 2HB LEU 39 -2.404 12.147 9.154 348 HB3 LEU 39 1HB LEU 39 -4.108 12.142 9.564 349 HG LEU 39 HG LEU 39 -3.826 14.717 9.753 350 HD11 LEU 39 1HD1 LEU 39 -1.521 14.108 7.915 351 HD12 LEU 39 2HD1 LEU 39 -1.345 14.623 9.592 352 HD13 LEU 39 3HD1 LEU 39 -2.105 15.695 8.416 353 HD21 LEU 39 3HD2 LEU 39 -4.325 14.976 7.381 354 HD22 LEU 39 1HD2 LEU 39 -5.171 13.583 8.050 355 HD23 LEU 39 2HD2 LEU 39 -3.727 13.348 7.066 356 H ARG 40 H ARG 40 -3.701 10.359 11.585 357 HA ARG 40 HA ARG 40 -6.292 10.970 12.552 358 HB2 ARG 40 2HB ARG 40 -5.569 8.803 11.497 359 HB3 ARG 40 1HB ARG 40 -4.756 8.409 13.002 360 HG2 ARG 40 2HG ARG 40 -6.652 7.744 13.977 361 HG3 ARG 40 1HG ARG 40 -7.512 9.195 13.470 362 HD2 ARG 40 2HD ARG 40 -7.356 7.819 11.114 363 HD3 ARG 40 1HD ARG 40 -7.475 6.504 12.279 364 HE ARG 40 HE ARG 40 -9.534 8.314 11.507 365 HH11 ARG 40 1HH1 ARG 40 -8.355 6.423 14.196 366 HH12 ARG 40 2HH1 ARG 40 -9.914 6.271 14.932 367 HH21 ARG 40 1HH2 ARG 40 -11.583 8.120 12.480 368 HH22 ARG 40 2HH2 ARG 40 -11.746 7.233 13.960 369 H GLU 41 H GLU 41 -3.232 10.229 14.138 370 HA GLU 41 HA GLU 41 -4.238 10.024 16.764 371 HB2 GLU 41 2HB GLU 41 -1.501 10.689 15.682 372 HB3 GLU 41 1HB GLU 41 -1.827 10.541 17.405 373 HG2 GLU 41 2HG GLU 41 -2.438 8.344 15.450 374 HG3 GLU 41 1HG GLU 41 -0.872 8.509 16.243 375 H ALA 42 H ALA 42 -3.406 12.744 14.759 376 HA ALA 42 HA ALA 42 -3.155 14.691 16.794 377 HB1 ALA 42 1HB ALA 42 -2.372 14.969 14.448 378 HB2 ALA 42 2HB ALA 42 -3.336 16.321 15.042 379 HB3 ALA 42 3HB ALA 42 -4.057 15.138 13.951 380 H ARG 43 H ARG 43 -5.904 13.544 14.895 381 HA ARG 43 HA ARG 43 -7.715 15.343 16.304 382 HB2 ARG 43 2HB ARG 43 -9.452 14.442 14.787 383 HB3 ARG 43 1HB ARG 43 -8.093 15.151 13.935 384 HG2 ARG 43 2HG ARG 43 -8.413 13.259 12.699 385 HG3 ARG 43 1HG ARG 43 -7.232 12.671 13.859 386 HD2 ARG 43 2HD ARG 43 -9.121 11.111 13.482 387 HD3 ARG 43 1HD ARG 43 -8.947 11.607 15.159 388 HE ARG 43 HE ARG 43 -11.007 12.591 15.043 389 HH11 ARG 43 1HH1 ARG 43 -9.880 12.008 11.784 390 HH12 ARG 43 2HH1 ARG 43 -11.388 12.444 11.058 391 HH21 ARG 43 1HH2 ARG 43 -12.986 13.159 14.080 392 HH22 ARG 43 2HH2 ARG 43 -13.149 13.098 12.356 393 H ALA 44 H ALA 44 -9.914 14.256 16.893 394 HA ALA 44 HA ALA 44 -9.447 12.568 19.083 395 HB1 ALA 44 1HB ALA 44 -11.371 14.036 18.993 396 HB2 ALA 44 2HB ALA 44 -11.898 12.366 19.206 397 HB3 ALA 44 3HB ALA 44 -12.025 13.136 17.625 398 H1 GLY -7 1HT GLY -7 27.949 11.572 -10.166 399 H2 GLY -7 2HT GLY -7 26.832 12.238 -11.247 400 H3 GLY -7 3HT GLY -7 26.456 12.134 -9.601 401 HA2 GLY -7 1HA GLY -7 28.787 13.538 -9.612 402 HA3 GLY -7 2HA GLY -7 27.927 14.145 -11.019 403 H ALA -6 H ALA -6 28.093 14.077 -7.583 404 HA ALA -6 HA ALA -6 25.518 15.153 -7.031 405 HB1 ALA -6 1HB ALA -6 26.315 15.494 -4.800 406 HB2 ALA -6 2HB ALA -6 27.994 15.372 -5.326 407 HB3 ALA -6 3HB ALA -6 26.948 13.953 -5.379 408 H MET -5 H MET -5 24.879 17.253 -6.655 409 HA MET -5 HA MET -5 26.642 19.473 -6.618 410 HB2 MET -5 2HB MET -5 25.925 20.505 -8.760 411 HB3 MET -5 1HB MET -5 26.891 19.052 -8.980 412 HG2 MET -5 2HG MET -5 24.748 17.790 -9.286 413 HG3 MET -5 1HG MET -5 23.918 19.344 -9.301 414 HE1 MET -5 3HE MET -5 26.620 17.177 -10.735 415 HE2 MET -5 1HE MET -5 27.546 18.607 -11.190 416 HE3 MET -5 2HE MET -5 26.761 17.633 -12.432 417 H GLY -4 H GLY -4 23.373 18.348 -7.389 418 HA2 GLY -4 2HA GLY -4 22.145 20.804 -6.488 419 HA3 GLY -4 1HA GLY -4 21.314 19.339 -6.991 420 H SER -3 H SER -3 21.611 17.451 -5.405 421 HA SER -3 HA SER -3 21.100 16.583 -3.365 422 HB2 SER -3 2HB SER -3 22.491 17.179 -1.569 423 HB3 SER -3 1HB SER -3 23.452 17.591 -2.989 424 HG SER -3 HG SER -3 22.920 19.738 -2.702 425 H MET -2 H MET -2 19.342 18.615 -4.538 426 HA MET -2 HA MET -2 17.772 19.179 -2.151 427 HB2 MET -2 2HB MET -2 18.634 21.336 -4.087 428 HB3 MET -2 1HB MET -2 17.379 21.537 -2.873 429 HG2 MET -2 2HG MET -2 19.068 21.029 -1.126 430 HG3 MET -2 1HG MET -2 20.300 21.009 -2.388 431 HE1 MET -2 3HE MET -2 21.515 22.893 -3.210 432 HE2 MET -2 1HE MET -2 20.998 24.580 -3.225 433 HE3 MET -2 2HE MET -2 20.167 23.393 -4.231 434 H SER -1 H SER -1 15.844 18.337 -2.591 435 HA SER -1 HA SER -1 13.893 17.833 -3.635 436 HB2 SER -1 2HB SER -1 14.588 19.764 -5.845 437 HB3 SER -1 1HB SER -1 12.997 19.320 -5.229 438 HG SER -1 HG SER -1 14.977 20.866 -3.911 439 H HIS 2 H HIS 2 14.087 15.786 -4.298 440 HA HIS 2 HA HIS 2 15.644 15.136 -6.684 441 HB2 HIS 2 2HB HIS 2 14.288 12.857 -5.500 442 HB3 HIS 2 1HB HIS 2 16.010 13.138 -5.710 443 HD1 HIS 2 1HD HIS 2 17.297 13.279 -3.607 444 HD2 HIS 2 2HD HIS 2 13.294 14.238 -3.038 445 HE1 HIS 2 1HE HIS 2 17.034 13.618 -1.129 446 HE2 HIS 2 2HE HIS 2 14.575 14.053 -0.795 447 H ILE 3 H ILE 3 12.451 14.505 -5.337 448 HA ILE 3 HA ILE 3 10.388 14.345 -6.221 449 HB ILE 3 HB ILE 3 11.110 15.269 -8.951 450 HG12 ILE 3 2HG1 ILE 3 11.708 16.860 -6.480 451 HG13 ILE 3 1HG1 ILE 3 12.571 16.809 -8.014 452 HG21 ILE 3 1HG2 ILE 3 9.063 16.438 -7.095 453 HG22 ILE 3 2HG2 ILE 3 8.772 14.902 -7.901 454 HG23 ILE 3 3HG2 ILE 3 9.048 16.358 -8.856 455 HD11 ILE 3 3HD1 ILE 3 10.117 18.339 -7.288 456 HD12 ILE 3 1HD1 ILE 3 10.508 17.993 -8.972 457 HD13 ILE 3 2HD1 ILE 3 11.633 18.918 -7.977 458 H GLN 4 H GLN 4 9.697 13.704 -9.011 459 HA GLN 4 HA GLN 4 9.429 11.912 -10.354 460 HB2 GLN 4 2HB GLN 4 11.373 11.159 -11.184 461 HB3 GLN 4 1HB GLN 4 12.203 12.012 -9.897 462 HG2 GLN 4 2HG GLN 4 12.169 10.013 -8.519 463 HG3 GLN 4 1HG GLN 4 11.259 9.152 -9.761 464 HE21 GLN 4 1HE2 GLN 4 14.211 11.111 -9.493 465 HE22 GLN 4 2HE2 GLN 4 15.191 10.073 -10.466 466 H ILE 5 H ILE 5 7.833 10.593 -9.809 467 HA ILE 5 HA ILE 5 7.487 9.526 -7.229 468 HB ILE 5 HB ILE 5 6.122 9.004 -9.853 469 HG12 ILE 5 2HG1 ILE 5 4.150 9.803 -8.290 470 HG13 ILE 5 1HG1 ILE 5 5.451 10.437 -7.298 471 HG21 ILE 5 1HG2 ILE 5 5.904 6.872 -8.971 472 HG22 ILE 5 2HG2 ILE 5 4.451 7.674 -8.385 473 HG23 ILE 5 3HG2 ILE 5 5.824 7.454 -7.308 474 HD11 ILE 5 3HD1 ILE 5 6.202 11.835 -9.094 475 HD12 ILE 5 1HD1 ILE 5 4.473 12.087 -8.844 476 HD13 ILE 5 2HD1 ILE 5 5.036 11.104 -10.198 477 HA PRO 6 HA PRO 6 10.444 6.100 -7.605 478 HB2 PRO 6 2HB PRO 6 8.870 5.186 -5.232 479 HB3 PRO 6 1HB PRO 6 10.621 5.297 -5.445 480 HG2 PRO 6 2HG PRO 6 9.311 7.088 -3.976 481 HG3 PRO 6 1HG PRO 6 10.666 7.569 -5.014 482 HD2 PRO 6 2HD PRO 6 7.735 7.952 -5.424 483 HD3 PRO 6 1HD PRO 6 9.089 9.004 -5.876 484 HA PRO 7 HA PRO 7 7.838 2.906 -9.273 485 HB2 PRO 7 2HB PRO 7 9.307 0.686 -9.019 486 HB3 PRO 7 1HB PRO 7 9.867 2.049 -9.997 487 HG2 PRO 7 2HG PRO 7 10.724 1.193 -7.272 488 HG3 PRO 7 1HG PRO 7 11.682 1.909 -8.582 489 HD2 PRO 7 2HD PRO 7 10.608 3.268 -6.362 490 HD3 PRO 7 1HD PRO 7 11.284 4.013 -7.822 491 H GLY 8 H GLY 8 6.014 1.974 -8.596 492 HA2 GLY 8 2HA GLY 8 4.919 0.161 -7.435 493 HA3 GLY 8 1HA GLY 8 6.039 0.385 -6.102 494 H LEU 9 H LEU 9 5.706 3.357 -6.321 495 HA LEU 9 HA LEU 9 3.836 3.758 -4.325 496 HB2 LEU 9 2HB LEU 9 5.666 5.316 -5.481 497 HB3 LEU 9 1HB LEU 9 4.260 5.940 -6.317 498 HG LEU 9 HG LEU 9 4.326 5.782 -3.313 499 HD11 LEU 9 1HD1 LEU 9 5.059 8.160 -3.343 500 HD12 LEU 9 2HD1 LEU 9 5.424 7.978 -5.058 501 HD13 LEU 9 3HD1 LEU 9 6.298 7.018 -3.864 502 HD21 LEU 9 3HD2 LEU 9 2.629 7.428 -3.402 503 HD22 LEU 9 1HD2 LEU 9 2.193 6.206 -4.591 504 HD23 LEU 9 2HD2 LEU 9 2.906 7.727 -5.116 505 H THR 10 H THR 10 3.384 4.090 -7.843 506 HA THR 10 HA THR 10 0.766 5.015 -7.825 507 HB THR 10 HB THR 10 1.604 2.992 -9.876 508 HG1 THR 10 1HG THR 10 3.442 4.104 -9.840 509 HG21 THR 10 3HG2 THR 10 0.695 5.562 -10.845 510 HG22 THR 10 1HG2 THR 10 -0.493 4.823 -9.770 511 HG23 THR 10 2HG2 THR 10 0.084 3.949 -11.190 512 H GLU 11 H GLU 11 1.922 1.665 -7.870 513 HA GLU 11 HA GLU 11 -0.556 0.382 -7.889 514 HB2 GLU 11 2HB GLU 11 1.674 -0.695 -8.259 515 HB3 GLU 11 1HB GLU 11 1.954 -0.599 -6.527 516 HG2 GLU 11 2HG GLU 11 -0.144 -1.956 -6.224 517 HG3 GLU 11 1HG GLU 11 -0.132 -2.208 -7.969 518 H LEU 12 H LEU 12 1.216 1.883 -5.290 519 HA LEU 12 HA LEU 12 -0.174 0.671 -3.139 520 HB2 LEU 12 2HB LEU 12 1.916 2.583 -3.455 521 HB3 LEU 12 1HB LEU 12 0.699 3.323 -2.443 522 HG LEU 12 HG LEU 12 2.401 0.913 -1.888 523 HD11 LEU 12 1HD1 LEU 12 1.727 3.158 -0.030 524 HD12 LEU 12 2HD1 LEU 12 2.943 3.357 -1.287 525 HD13 LEU 12 3HD1 LEU 12 3.147 2.111 -0.056 526 HD21 LEU 12 3HD2 LEU 12 0.962 0.729 0.249 527 HD22 LEU 12 1HD2 LEU 12 0.364 -0.016 -1.229 528 HD23 LEU 12 2HD2 LEU 12 -0.285 1.536 -0.700 529 H LEU 13 H LEU 13 -0.469 3.955 -4.515 530 HA LEU 13 HA LEU 13 -2.792 4.611 -3.050 531 HB2 LEU 13 2HB LEU 13 -1.915 5.785 -5.687 532 HB3 LEU 13 1HB LEU 13 -2.980 6.527 -4.508 533 HG LEU 13 HG LEU 13 -0.021 6.025 -4.232 534 HD11 LEU 13 1HD1 LEU 13 -0.104 8.544 -3.800 535 HD12 LEU 13 2HD1 LEU 13 -1.722 8.484 -4.496 536 HD13 LEU 13 3HD1 LEU 13 -0.329 7.991 -5.456 537 HD21 LEU 13 3HD2 LEU 13 -0.312 7.175 -2.006 538 HD22 LEU 13 1HD2 LEU 13 -0.907 5.520 -2.100 539 HD23 LEU 13 2HD2 LEU 13 -2.039 6.869 -2.168 540 H GLN 14 H GLN 14 -2.286 2.895 -6.021 541 HA GLN 14 HA GLN 14 -4.939 3.122 -7.027 542 HB2 GLN 14 2HB GLN 14 -2.601 1.345 -7.617 543 HB3 GLN 14 1HB GLN 14 -4.172 0.967 -8.304 544 HG2 GLN 14 2HG GLN 14 -4.219 3.240 -9.301 545 HG3 GLN 14 1HG GLN 14 -2.575 3.482 -8.718 546 HE21 GLN 14 1HE2 GLN 14 -4.404 0.987 -10.454 547 HE22 GLN 14 2HE2 GLN 14 -3.209 0.714 -11.671 548 H GLY 15 H GLY 15 -3.261 0.773 -4.985 549 HA2 GLY 15 2HA GLY 15 -5.303 -1.169 -4.916 550 HA3 GLY 15 1HA GLY 15 -4.030 -0.979 -3.721 551 H TYR 16 H TYR 16 -4.816 1.758 -3.056 552 HA TYR 16 HA TYR 16 -6.820 1.116 -1.088 553 HB2 TYR 16 2HB TYR 16 -4.919 2.534 -0.506 554 HB3 TYR 16 1HB TYR 16 -5.397 3.709 -1.724 555 HD1 TYR 16 1HD TYR 16 -6.881 1.969 1.246 556 HD2 TYR 16 2HD TYR 16 -6.524 5.589 -0.969 557 HE1 TYR 16 1HE TYR 16 -8.239 3.136 2.941 558 HE2 TYR 16 2HE TYR 16 -7.878 6.759 0.716 559 HH TYR 16 HH TYR 16 -9.731 5.939 2.481 560 H THR 17 H THR 17 -6.602 3.313 -3.876 561 HA THR 17 HA THR 17 -9.090 4.514 -3.643 562 HB THR 17 HB THR 17 -8.798 4.416 -6.348 563 HG1 THR 17 1HG THR 17 -6.572 4.408 -6.768 564 HG21 THR 17 3HG2 THR 17 -7.618 6.203 -4.296 565 HG22 THR 17 1HG2 THR 17 -8.779 6.553 -5.577 566 HG23 THR 17 2HG2 THR 17 -7.070 6.358 -5.966 567 H VAL 18 H VAL 18 -8.282 1.619 -5.606 568 HA VAL 18 HA VAL 18 -10.729 1.076 -6.671 569 HB VAL 18 HB VAL 18 -10.149 -1.352 -6.581 570 HG11 VAL 18 1HG1 VAL 18 -9.360 -0.079 -8.434 571 HG12 VAL 18 2HG1 VAL 18 -8.043 -1.128 -7.909 572 HG13 VAL 18 3HG1 VAL 18 -8.028 0.583 -7.486 573 HG21 VAL 18 3HG2 VAL 18 -7.707 -0.406 -5.088 574 HG22 VAL 18 1HG2 VAL 18 -8.019 -2.047 -5.648 575 HG23 VAL 18 2HG2 VAL 18 -9.029 -1.338 -4.390 576 H GLU 19 H GLU 19 -9.740 0.652 -3.363 577 HA GLU 19 HA GLU 19 -12.068 -0.869 -2.588 578 HB2 GLU 19 2HB GLU 19 -9.976 0.526 -0.907 579 HB3 GLU 19 1HB GLU 19 -11.232 -0.530 -0.285 580 HG2 GLU 19 2HG GLU 19 -9.868 -1.954 -2.322 581 HG3 GLU 19 1HG GLU 19 -8.651 -1.211 -1.291 582 H VAL 20 H VAL 20 -10.881 2.431 -1.931 583 HA VAL 20 HA VAL 20 -13.117 3.345 -0.545 584 HB VAL 20 HB VAL 20 -10.730 4.459 -1.135 585 HG11 VAL 20 1HG1 VAL 20 -10.945 6.396 -2.541 586 HG12 VAL 20 2HG1 VAL 20 -12.626 6.009 -2.892 587 HG13 VAL 20 3HG1 VAL 20 -11.337 4.954 -3.464 588 HG21 VAL 20 3HG2 VAL 20 -13.129 6.160 -0.497 589 HG22 VAL 20 1HG2 VAL 20 -11.450 6.451 -0.045 590 HG23 VAL 20 2HG2 VAL 20 -12.331 5.101 0.667 591 H LEU 21 H LEU 21 -12.408 3.346 -3.986 592 HA LEU 21 HA LEU 21 -14.580 4.793 -4.930 593 HB2 LEU 21 2HB LEU 21 -12.671 2.837 -6.052 594 HB3 LEU 21 1HB LEU 21 -14.176 2.980 -6.933 595 HG LEU 21 HG LEU 21 -12.427 4.417 -7.863 596 HD11 LEU 21 1HD1 LEU 21 -15.043 5.304 -7.027 597 HD12 LEU 21 2HD1 LEU 21 -14.166 5.628 -8.519 598 HD13 LEU 21 3HD1 LEU 21 -13.919 6.659 -7.113 599 HD21 LEU 21 3HD2 LEU 21 -11.574 6.322 -6.625 600 HD22 LEU 21 1HD2 LEU 21 -11.203 4.822 -5.778 601 HD23 LEU 21 2HD2 LEU 21 -12.518 5.851 -5.214 602 H ARG 22 H ARG 22 -14.328 1.257 -4.471 603 HA ARG 22 HA ARG 22 -17.116 0.911 -5.169 604 HB2 ARG 22 2HB ARG 22 -16.704 -1.410 -5.097 605 HB3 ARG 22 1HB ARG 22 -15.267 -0.675 -5.795 606 HG2 ARG 22 2HG ARG 22 -14.250 -0.761 -3.488 607 HG3 ARG 22 1HG ARG 22 -15.621 -1.765 -3.017 608 HD2 ARG 22 2HD ARG 22 -14.957 -3.528 -4.369 609 HD3 ARG 22 1HD ARG 22 -13.994 -2.496 -5.418 610 HE ARG 22 HE ARG 22 -12.246 -2.572 -3.900 611 HH11 ARG 22 1HH1 ARG 22 -15.039 -4.233 -2.597 612 HH12 ARG 22 2HH1 ARG 22 -14.126 -5.070 -1.390 613 HH21 ARG 22 1HH2 ARG 22 -11.059 -3.688 -2.306 614 HH22 ARG 22 2HH2 ARG 22 -11.877 -4.759 -1.220 615 H GLN 23 H GLN 23 -15.331 1.274 -2.192 616 HA GLN 23 HA GLN 23 -17.540 0.124 -0.643 617 HB2 GLN 23 2HB GLN 23 -14.975 -0.255 -0.228 618 HB3 GLN 23 1HB GLN 23 -15.078 1.290 0.607 619 HG2 GLN 23 2HG GLN 23 -17.076 0.182 1.853 620 HG3 GLN 23 1HG GLN 23 -16.351 -1.325 1.294 621 HE21 GLN 23 1HE2 GLN 23 -15.862 1.544 3.232 622 HE22 GLN 23 2HE2 GLN 23 -14.593 0.902 4.213 623 H GLN 24 H GLN 24 -15.700 3.138 -0.897 624 HA GLN 24 HA GLN 24 -16.199 5.272 -0.359 625 HB2 GLN 24 2HB GLN 24 -19.077 4.355 -0.474 626 HB3 GLN 24 1HB GLN 24 -18.511 6.014 -0.580 627 HG2 GLN 24 2HG GLN 24 -17.601 3.974 -2.574 628 HG3 GLN 24 1HG GLN 24 -19.173 4.751 -2.738 629 HE21 GLN 24 1HE2 GLN 24 -16.861 4.913 -4.478 630 HE22 GLN 24 2HE2 GLN 24 -16.437 6.586 -4.570 631 HA PRO 25 HA PRO 25 -16.949 4.270 4.073 632 HB2 PRO 25 2HB PRO 25 -14.608 5.044 5.085 633 HB3 PRO 25 1HB PRO 25 -14.752 3.522 4.196 634 HG2 PRO 25 2HG PRO 25 -13.685 6.159 3.272 635 HG3 PRO 25 1HG PRO 25 -13.064 4.529 2.963 636 HD2 PRO 25 2HD PRO 25 -14.651 5.993 1.211 637 HD3 PRO 25 1HD PRO 25 -14.444 4.231 1.166 638 HA PRO 26 HA PRO 26 -18.017 8.322 5.487 639 HB2 PRO 26 2HB PRO 26 -17.171 7.823 8.236 640 HB3 PRO 26 1HB PRO 26 -18.806 7.916 7.579 641 HG2 PRO 26 2HG PRO 26 -17.703 5.601 8.477 642 HG3 PRO 26 1HG PRO 26 -18.917 5.657 7.186 643 HD2 PRO 26 2HD PRO 26 -15.939 5.372 6.977 644 HD3 PRO 26 1HD PRO 26 -17.221 4.527 6.085 645 H ASP 27 H ASP 27 -14.845 7.186 6.567 646 HA ASP 27 HA ASP 27 -13.830 9.931 6.281 647 HB2 ASP 27 2HB ASP 27 -12.233 9.292 8.221 648 HB3 ASP 27 1HB ASP 27 -13.881 9.772 8.612 649 H LEU 28 H LEU 28 -11.794 10.130 5.465 650 HA LEU 28 HA LEU 28 -10.833 7.874 3.943 651 HB2 LEU 28 2HB LEU 28 -10.029 10.771 4.118 652 HB3 LEU 28 1HB LEU 28 -9.094 9.613 3.191 653 HG LEU 28 HG LEU 28 -10.749 11.033 1.901 654 HD11 LEU 28 1HD1 LEU 28 -10.521 8.069 1.757 655 HD12 LEU 28 2HD1 LEU 28 -9.981 9.308 0.629 656 HD13 LEU 28 3HD1 LEU 28 -11.687 8.875 0.710 657 HD21 LEU 28 3HD2 LEU 28 -12.566 10.809 3.609 658 HD22 LEU 28 1HD2 LEU 28 -12.787 9.146 3.064 659 HD23 LEU 28 2HD2 LEU 28 -13.063 10.485 1.949 660 H VAL 29 H VAL 29 -9.663 9.922 6.572 661 HA VAL 29 HA VAL 29 -7.089 8.879 6.804 662 HB VAL 29 HB VAL 29 -8.673 9.737 9.220 663 HG11 VAL 29 1HG1 VAL 29 -6.603 10.384 10.117 664 HG12 VAL 29 2HG1 VAL 29 -5.807 10.347 8.543 665 HG13 VAL 29 3HG1 VAL 29 -6.279 8.841 9.328 666 HG21 VAL 29 3HG2 VAL 29 -7.689 11.425 6.947 667 HG22 VAL 29 1HG2 VAL 29 -7.751 12.078 8.583 668 HG23 VAL 29 2HG2 VAL 29 -9.224 11.500 7.810 669 H GLU 30 H GLU 30 -9.980 7.966 8.711 670 HA GLU 30 HA GLU 30 -8.813 5.878 10.126 671 HB2 GLU 30 2HB GLU 30 -11.122 6.944 10.438 672 HB3 GLU 30 1HB GLU 30 -11.678 5.831 9.196 673 HG2 GLU 30 2HG GLU 30 -10.875 3.948 10.590 674 HG3 GLU 30 1HG GLU 30 -10.475 5.108 11.856 675 H PHE 31 H PHE 31 -10.796 5.619 7.160 676 HA PHE 31 HA PHE 31 -10.442 2.880 6.765 677 HB2 PHE 31 2HB PHE 31 -12.076 4.373 5.573 678 HB3 PHE 31 1HB PHE 31 -10.740 4.930 4.570 679 HD1 PHE 31 1HD PHE 31 -12.285 1.735 5.714 680 HD2 PHE 31 2HD PHE 31 -10.430 3.878 2.543 681 HE1 PHE 31 1HE PHE 31 -12.639 -0.185 4.218 682 HE2 PHE 31 2HE PHE 31 -10.781 1.963 1.038 683 HZ PHE 31 HZ PHE 31 -11.887 -0.073 1.876 684 H ALA 32 H ALA 32 -8.307 5.534 6.111 685 HA ALA 32 HA ALA 32 -6.585 4.069 4.340 686 HB1 ALA 32 1HB ALA 32 -6.696 6.434 4.079 687 HB2 ALA 32 2HB ALA 32 -5.070 6.024 4.631 688 HB3 ALA 32 3HB ALA 32 -6.243 6.696 5.764 689 H VAL 33 H VAL 33 -6.390 5.082 7.753 690 HA VAL 33 HA VAL 33 -3.848 4.021 8.263 691 HB VAL 33 HB VAL 33 -6.171 4.434 10.151 692 HG11 VAL 33 1HG1 VAL 33 -4.346 4.382 11.924 693 HG12 VAL 33 2HG1 VAL 33 -3.331 3.608 10.706 694 HG13 VAL 33 3HG1 VAL 33 -4.821 2.829 11.237 695 HG21 VAL 33 3HG2 VAL 33 -5.140 6.427 8.993 696 HG22 VAL 33 1HG2 VAL 33 -3.650 6.058 9.863 697 HG23 VAL 33 2HG2 VAL 33 -5.115 6.472 10.755 698 H GLU 34 H GLU 34 -7.012 2.580 9.085 699 HA GLU 34 HA GLU 34 -6.110 0.117 9.960 700 HB2 GLU 34 2HB GLU 34 -8.667 0.794 8.497 701 HB3 GLU 34 1HB GLU 34 -8.372 -0.735 9.311 702 HG2 GLU 34 2HG GLU 34 -8.278 1.928 10.700 703 HG3 GLU 34 1HG GLU 34 -9.723 0.924 10.600 704 H TYR 35 H TYR 35 -6.948 1.115 6.668 705 HA TYR 35 HA TYR 35 -6.558 -1.374 5.424 706 HB2 TYR 35 2HB TYR 35 -7.714 0.326 4.212 707 HB3 TYR 35 1HB TYR 35 -6.375 1.454 4.381 708 HD1 TYR 35 2HD TYR 35 -4.211 0.947 3.152 709 HD2 TYR 35 1HD TYR 35 -7.845 -1.115 2.338 710 HE1 TYR 35 2HE TYR 35 -3.314 0.233 0.978 711 HE2 TYR 35 1HE TYR 35 -6.955 -1.831 0.158 712 HH TYR 35 HH TYR 35 -4.358 -0.468 -1.302 713 H PHE 36 H PHE 36 -4.318 1.374 5.843 714 HA PHE 36 HA PHE 36 -2.143 0.126 4.560 715 HB2 PHE 36 2HB PHE 36 -2.533 2.532 6.248 716 HB3 PHE 36 1HB PHE 36 -0.899 1.875 6.224 717 HD1 PHE 36 1HD PHE 36 0.015 1.281 3.840 718 HD2 PHE 36 2HD PHE 36 -3.112 4.068 4.593 719 HE1 PHE 36 1HE PHE 36 0.442 2.347 1.670 720 HE2 PHE 36 2HE PHE 36 -2.688 5.137 2.418 721 HZ PHE 36 HZ PHE 36 -0.908 4.273 0.950 722 H THR 37 H THR 37 -3.111 0.238 7.977 723 HA THR 37 HA THR 37 -0.854 -1.098 9.003 724 HB THR 37 HB THR 37 -2.324 -1.665 10.933 725 HG1 THR 37 1HG THR 37 -4.470 -1.018 10.877 726 HG21 THR 37 3HG2 THR 37 -2.307 1.137 9.904 727 HG22 THR 37 1HG2 THR 37 -1.418 0.434 11.254 728 HG23 THR 37 2HG2 THR 37 -3.151 0.727 11.394 729 H ARG 38 H ARG 38 -3.917 -2.242 7.726 730 HA ARG 38 HA ARG 38 -3.722 -4.958 8.322 731 HB2 ARG 38 2HB ARG 38 -5.712 -3.771 7.358 732 HB3 ARG 38 1HB ARG 38 -4.901 -3.783 5.798 733 HG2 ARG 38 2HG ARG 38 -5.098 -6.092 5.569 734 HG3 ARG 38 1HG ARG 38 -5.377 -6.335 7.295 735 HD2 ARG 38 2HD ARG 38 -7.591 -5.728 7.160 736 HD3 ARG 38 1HD ARG 38 -7.337 -4.695 5.754 737 HE ARG 38 HE ARG 38 -8.075 -7.435 5.738 738 HH11 ARG 38 1HH1 ARG 38 -6.180 -5.080 3.990 739 HH12 ARG 38 2HH1 ARG 38 -6.324 -5.906 2.475 740 HH21 ARG 38 1HH2 ARG 38 -8.263 -8.522 3.749 741 HH22 ARG 38 2HH2 ARG 38 -7.507 -7.861 2.338 742 H LEU 39 H LEU 39 -2.497 -3.165 5.525 743 HA LEU 39 HA LEU 39 -1.422 -5.429 4.190 744 HB2 LEU 39 2HB LEU 39 -1.908 -2.940 3.387 745 HB3 LEU 39 1HB LEU 39 -0.218 -2.725 3.799 746 HG LEU 39 HG LEU 39 -1.271 -4.776 1.849 747 HD11 LEU 39 1HD1 LEU 39 -1.522 -2.414 1.105 748 HD12 LEU 39 2HD1 LEU 39 -0.429 -3.370 0.106 749 HD13 LEU 39 3HD1 LEU 39 0.222 -2.224 1.276 750 HD21 LEU 39 3HD2 LEU 39 1.520 -3.974 2.650 751 HD22 LEU 39 1HD2 LEU 39 1.143 -4.948 1.229 752 HD23 LEU 39 2HD2 LEU 39 0.759 -5.553 2.840 753 H ARG 40 H ARG 40 0.173 -2.834 6.047 754 HA ARG 40 HA ARG 40 2.750 -3.831 6.038 755 HB2 ARG 40 2HB ARG 40 1.971 -1.599 6.906 756 HB3 ARG 40 1HB ARG 40 1.441 -2.421 8.364 757 HG2 ARG 40 2HG ARG 40 3.475 -1.869 9.142 758 HG3 ARG 40 1HG ARG 40 4.010 -3.278 8.229 759 HD2 ARG 40 2HD ARG 40 3.891 -0.550 6.978 760 HD3 ARG 40 1HD ARG 40 5.283 -1.064 7.924 761 HE ARG 40 HE ARG 40 4.645 -1.842 5.265 762 HH11 ARG 40 1HH1 ARG 40 6.117 -2.993 8.217 763 HH12 ARG 40 2HH1 ARG 40 7.133 -4.137 7.407 764 HH21 ARG 40 1HH2 ARG 40 5.985 -3.343 4.203 765 HH22 ARG 40 2HH2 ARG 40 7.061 -4.334 5.130 766 H GLU 41 H GLU 41 0.339 -4.277 8.632 767 HA GLU 41 HA GLU 41 1.796 -6.016 10.218 768 HB2 GLU 41 2HB GLU 41 -1.185 -5.805 9.799 769 HB3 GLU 41 1HB GLU 41 -0.455 -6.809 11.045 770 HG2 GLU 41 2HG GLU 41 0.582 -4.828 12.031 771 HG3 GLU 41 1HG GLU 41 -0.165 -3.825 10.789 772 H ALA 42 H ALA 42 0.236 -6.656 7.192 773 HA ALA 42 HA ALA 42 -0.360 -9.324 7.271 774 HB1 ALA 42 1HB ALA 42 -0.110 -9.390 4.928 775 HB2 ALA 42 2HB ALA 42 1.097 -8.104 4.940 776 HB3 ALA 42 3HB ALA 42 -0.587 -7.737 5.314 777 H ARG 43 H ARG 43 2.802 -7.859 7.320 778 HA ARG 43 HA ARG 43 4.297 -10.173 6.638 779 HB2 ARG 43 2HB ARG 43 6.227 -8.953 7.489 780 HB3 ARG 43 1HB ARG 43 5.230 -7.909 6.489 781 HG2 ARG 43 2HG ARG 43 5.491 -6.448 8.178 782 HG3 ARG 43 1HG ARG 43 4.188 -7.369 8.929 783 HD2 ARG 43 2HD ARG 43 6.018 -7.033 10.497 784 HD3 ARG 43 1HD ARG 43 5.844 -8.741 10.106 785 HE ARG 43 HE ARG 43 7.938 -8.708 9.199 786 HH11 ARG 43 1HH1 ARG 43 6.815 -5.409 9.483 787 HH12 ARG 43 2HH1 ARG 43 8.341 -4.725 9.040 788 HH21 ARG 43 1HH2 ARG 43 9.943 -7.800 8.618 789 HH22 ARG 43 2HH2 ARG 43 10.112 -6.077 8.548 790 H ALA 44 H ALA 44 5.589 -11.488 8.034 791 HA ALA 44 HA ALA 44 5.860 -12.909 9.792 792 HB1 ALA 44 1HB ALA 44 5.034 -10.543 11.466 793 HB2 ALA 44 2HB ALA 44 6.658 -10.806 10.831 794 HB3 ALA 44 3HB ALA 44 5.970 -11.942 11.991 795 H1 ALA 578 1HT ALA 578 -9.385 -18.622 -22.907 796 H2 ALA 578 2HT ALA 578 -9.771 -18.796 -21.244 797 H3 ALA 578 3HT ALA 578 -8.199 -19.189 -21.808 798 HA ALA 578 HA ALA 578 -9.464 -16.567 -21.510 799 HB1 ALA 578 2HB ALA 578 -6.826 -17.708 -20.596 800 HB2 ALA 578 3HB ALA 578 -8.260 -17.481 -19.594 801 HB3 ALA 578 1HB ALA 578 -7.421 -16.082 -20.263 802 H MET 579 H MET 579 -8.417 -14.757 -22.430 803 HA MET 579 HA MET 579 -6.738 -15.375 -24.783 804 HB2 MET 579 2HB MET 579 -7.734 -13.177 -25.686 805 HB3 MET 579 1HB MET 579 -8.750 -14.611 -25.693 806 HG2 MET 579 2HG MET 579 -8.862 -12.691 -23.402 807 HG3 MET 579 1HG MET 579 -9.734 -12.360 -24.896 808 HE1 MET 579 3HE MET 579 -11.378 -14.572 -25.964 809 HE2 MET 579 1HE MET 579 -11.952 -13.027 -25.336 810 HE3 MET 579 2HE MET 579 -12.740 -14.525 -24.845 811 H ALA 580 H ALA 580 -7.303 -13.199 -22.081 812 HA ALA 580 HA ALA 580 -5.999 -11.635 -21.069 813 HB1 ALA 580 1HB ALA 580 -3.727 -13.127 -22.374 814 HB2 ALA 580 2HB ALA 580 -4.507 -13.591 -20.861 815 HB3 ALA 580 3HB ALA 580 -3.625 -12.067 -20.968 816 H ASP 581 H ASP 581 -7.098 -10.295 -22.882 817 HA ASP 581 HA ASP 581 -5.446 -9.370 -25.023 818 HB2 ASP 581 2HB ASP 581 -7.216 -7.706 -25.388 819 HB3 ASP 581 1HB ASP 581 -7.889 -9.320 -25.187 820 H ILE 582 H ILE 582 -3.783 -8.032 -24.843 821 HA ILE 582 HA ILE 582 -2.423 -6.340 -24.190 822 HB ILE 582 HB ILE 582 -4.750 -5.193 -22.645 823 HG12 ILE 582 2HG1 ILE 582 -3.984 -4.665 -25.526 824 HG13 ILE 582 1HG1 ILE 582 -5.345 -5.666 -25.026 825 HG21 ILE 582 1HG2 ILE 582 -3.565 -3.055 -23.119 826 HG22 ILE 582 2HG2 ILE 582 -2.228 -3.999 -23.777 827 HG23 ILE 582 3HG2 ILE 582 -2.668 -4.160 -22.078 828 HD11 ILE 582 3HD1 ILE 582 -5.058 -2.773 -24.271 829 HD12 ILE 582 1HD1 ILE 582 -6.478 -3.804 -24.098 830 HD13 ILE 582 2HD1 ILE 582 -5.919 -3.333 -25.703 831 H GLY 583 H GLY 583 -4.557 -6.805 -21.351 832 HA2 GLY 583 2HA GLY 583 -3.330 -8.347 -19.650 833 HA3 GLY 583 1HA GLY 583 -2.151 -7.043 -19.673 834 H SER 584 H SER 584 -3.913 -8.105 -17.508 835 HA SER 584 HA SER 584 -4.544 -5.629 -16.303 836 HB2 SER 584 2HB SER 584 -7.026 -5.949 -16.150 837 HB3 SER 584 1HB SER 584 -6.454 -5.582 -17.777 838 HG SER 584 HG SER 584 -6.846 -7.618 -18.399 839 H ALA 585 H ALA 585 -5.274 -9.094 -16.390 840 HA ALA 585 HA ALA 585 -5.203 -10.701 -14.784 841 HB1 ALA 585 1HB ALA 585 -4.054 -8.733 -12.829 842 HB2 ALA 585 2HB ALA 585 -3.087 -9.400 -14.144 843 HB3 ALA 585 3HB ALA 585 -3.795 -10.474 -12.938 844 H SER 586 H SER 586 -5.886 -7.678 -12.991 845 HA SER 586 HA SER 586 -7.633 -7.056 -11.678 846 HB2 SER 586 2HB SER 586 -9.791 -7.507 -12.454 847 HB3 SER 586 1HB SER 586 -8.811 -7.727 -13.902 848 HG SER 586 HG SER 586 -10.402 -9.425 -13.383 849 H GLY 587 H GLY 587 -7.186 -7.634 -9.622 850 HA2 GLY 587 2HA GLY 587 -7.210 -10.380 -8.746 851 HA3 GLY 587 1HA GLY 587 -6.963 -8.961 -7.737 852 H TYR 588 H TYR 588 -9.478 -7.785 -8.848 853 HA TYR 588 HA TYR 588 -11.741 -9.285 -8.420 854 HB2 TYR 588 2HB TYR 588 -12.364 -8.505 -6.061 855 HB3 TYR 588 1HB TYR 588 -11.183 -9.801 -6.179 856 HD1 TYR 588 2HD TYR 588 -11.527 -6.136 -5.664 857 HD2 TYR 588 1HD TYR 588 -9.047 -9.564 -5.194 858 HE1 TYR 588 2HE TYR 588 -9.971 -4.819 -4.289 859 HE2 TYR 588 1HE TYR 588 -7.488 -8.255 -3.819 860 HH TYR 588 HH TYR 588 -7.678 -4.842 -3.560 861 H VAL 589 H VAL 589 -10.594 -6.894 -9.730 862 HA VAL 589 HA VAL 589 -12.473 -4.797 -8.928 863 HB VAL 589 HB VAL 589 -11.197 -3.328 -10.459 864 HG11 VAL 589 1HG1 VAL 589 -9.149 -3.237 -9.053 865 HG12 VAL 589 2HG1 VAL 589 -9.634 -4.764 -8.319 866 HG13 VAL 589 3HG1 VAL 589 -10.645 -3.332 -8.127 867 HG21 VAL 589 3HG2 VAL 589 -10.256 -4.710 -12.098 868 HG22 VAL 589 1HG2 VAL 589 -9.592 -5.829 -10.912 869 HG23 VAL 589 2HG2 VAL 589 -8.878 -4.235 -11.113 870 HA PRO 590 HA PRO 590 -14.846 -6.372 -12.456 871 HB2 PRO 590 2HB PRO 590 -17.179 -5.110 -11.901 872 HB3 PRO 590 1HB PRO 590 -16.649 -6.563 -11.049 873 HG2 PRO 590 2HG PRO 590 -16.485 -3.706 -10.197 874 HG3 PRO 590 1HG PRO 590 -16.928 -5.134 -9.246 875 HD2 PRO 590 2HD PRO 590 -14.454 -3.979 -9.169 876 HD3 PRO 590 1HD PRO 590 -14.738 -5.699 -8.848 877 H GLU 591 H GLU 591 -13.156 -4.844 -13.489 878 HA GLU 591 HA GLU 591 -12.670 -3.319 -15.076 879 HB2 GLU 591 2HB GLU 591 -15.636 -3.607 -15.475 880 HB3 GLU 591 1HB GLU 591 -14.652 -2.590 -16.519 881 HG2 GLU 591 2HG GLU 591 -14.072 -5.499 -16.046 882 HG3 GLU 591 1HG GLU 591 -15.109 -4.917 -17.348 883 H GLU 592 H GLU 592 -15.824 -1.827 -14.362 884 HA GLU 592 HA GLU 592 -15.064 0.759 -14.533 885 HB2 GLU 592 2HB GLU 592 -17.199 -0.560 -12.893 886 HB3 GLU 592 1HB GLU 592 -16.999 1.187 -12.872 887 HG2 GLU 592 2HG GLU 592 -18.651 0.771 -14.471 888 HG3 GLU 592 1HG GLU 592 -17.189 1.103 -15.395 889 H ILE 593 H ILE 593 -14.523 -1.303 -11.757 890 HA ILE 593 HA ILE 593 -13.933 0.849 -9.963 891 HB ILE 593 HB ILE 593 -13.291 -2.092 -9.748 892 HG12 ILE 593 2HG1 ILE 593 -15.683 -1.662 -9.803 893 HG13 ILE 593 1HG1 ILE 593 -15.207 -2.119 -8.172 894 HG21 ILE 593 1HG2 ILE 593 -11.769 -1.026 -8.310 895 HG22 ILE 593 2HG2 ILE 593 -13.103 -1.520 -7.272 896 HG23 ILE 593 3HG2 ILE 593 -12.963 0.161 -7.787 897 HD11 ILE 593 3HD1 ILE 593 -16.568 -0.373 -7.703 898 HD12 ILE 593 1HD1 ILE 593 -16.203 0.456 -9.213 899 HD13 ILE 593 2HD1 ILE 593 -15.048 0.504 -7.883 900 H TRP 594 H TRP 594 -12.060 -1.031 -12.233 901 HA TRP 594 HA TRP 594 -9.538 -0.247 -11.095 902 HB2 TRP 594 2HB TRP 594 -9.747 -2.408 -12.238 903 HB3 TRP 594 1HB TRP 594 -10.099 -1.573 -13.748 904 HD1 TRP 594 HD TRP 594 -8.054 -1.193 -15.250 905 HE1 TRP 594 1HE TRP 594 -5.506 -1.078 -14.900 906 HE3 TRP 594 3HE TRP 594 -7.907 -1.691 -10.169 907 HZ2 TRP 594 2HZ TRP 594 -3.677 -1.199 -12.750 908 HZ3 TRP 594 3HZ TRP 594 -5.720 -1.679 -9.043 909 HH2 TRP 594 HH TRP 594 -3.650 -1.440 -10.308 910 H LYS 595 H LYS 595 -11.330 0.606 -14.050 911 HA LYS 595 HA LYS 595 -9.388 2.343 -15.069 912 HB2 LYS 595 2HB LYS 595 -11.150 3.320 -16.419 913 HB3 LYS 595 1HB LYS 595 -11.249 1.564 -16.410 914 HG2 LYS 595 2HG LYS 595 -13.024 1.744 -14.678 915 HG3 LYS 595 1HG LYS 595 -12.981 3.495 -14.897 916 HD2 LYS 595 2HD LYS 595 -14.732 2.724 -16.277 917 HD3 LYS 595 1HD LYS 595 -13.376 3.075 -17.347 918 HE2 LYS 595 2HE LYS 595 -12.985 0.853 -17.807 919 HE3 LYS 595 1HE LYS 595 -13.700 0.298 -16.296 920 HZ1 LYS 595 3HZ LYS 595 -15.815 0.437 -17.140 921 HZ2 LYS 595 1HZ LYS 595 -14.957 -0.030 -18.521 922 HZ3 LYS 595 2HZ LYS 595 -15.409 1.586 -18.312 923 H LYS 596 H LYS 596 -12.078 2.960 -12.806 924 HA LYS 596 HA LYS 596 -11.694 5.742 -12.693 925 HB2 LYS 596 2HB LYS 596 -12.901 3.843 -10.683 926 HB3 LYS 596 1HB LYS 596 -13.032 5.589 -10.602 927 HG2 LYS 596 2HG LYS 596 -14.029 3.966 -12.929 928 HG3 LYS 596 1HG LYS 596 -15.019 4.363 -11.533 929 HD2 LYS 596 2HD LYS 596 -13.782 6.283 -13.500 930 HD3 LYS 596 1HD LYS 596 -15.495 5.922 -13.291 931 HE2 LYS 596 2HE LYS 596 -15.090 6.756 -10.851 932 HE3 LYS 596 1HE LYS 596 -13.671 7.532 -11.555 933 HZ1 LYS 596 3HZ LYS 596 -14.955 8.905 -12.851 934 HZ2 LYS 596 1HZ LYS 596 -15.901 8.798 -11.452 935 HZ3 LYS 596 2HZ LYS 596 -16.303 7.884 -12.817 936 H ALA 597 H ALA 597 -10.785 3.288 -10.189 937 HA ALA 597 HA ALA 597 -9.473 4.921 -8.463 938 HB1 ALA 597 1HB ALA 597 -8.967 2.065 -9.214 939 HB2 ALA 597 2HB ALA 597 -9.840 2.705 -7.824 940 HB3 ALA 597 3HB ALA 597 -8.088 2.866 -7.911 941 H GLU 598 H GLU 598 -8.241 3.612 -11.478 942 HA GLU 598 HA GLU 598 -5.519 4.245 -11.073 943 HB2 GLU 598 2HB GLU 598 -6.814 2.831 -12.964 944 HB3 GLU 598 1HB GLU 598 -6.599 4.333 -13.851 945 HG2 GLU 598 2HG GLU 598 -4.373 2.798 -12.534 946 HG3 GLU 598 1HG GLU 598 -4.820 2.656 -14.233 947 H GLU 599 H GLU 599 -8.248 6.101 -12.177 948 HA GLU 599 HA GLU 599 -6.777 8.308 -13.216 949 HB2 GLU 599 2HB GLU 599 -9.170 7.790 -13.758 950 HB3 GLU 599 1HB GLU 599 -9.601 8.321 -12.138 951 HG2 GLU 599 2HG GLU 599 -8.886 10.549 -12.601 952 HG3 GLU 599 1HG GLU 599 -8.202 10.061 -14.151 953 H ALA 600 H ALA 600 -8.358 7.684 -10.092 954 HA ALA 600 HA ALA 600 -7.931 10.117 -8.877 955 HB1 ALA 600 1HB ALA 600 -9.307 8.603 -7.758 956 HB2 ALA 600 2HB ALA 600 -7.885 8.741 -6.722 957 HB3 ALA 600 3HB ALA 600 -8.081 7.336 -7.772 958 H VAL 601 H VAL 601 -5.605 7.510 -9.373 959 HA VAL 601 HA VAL 601 -3.669 8.713 -7.603 960 HB VAL 601 HB VAL 601 -3.245 6.431 -9.538 961 HG11 VAL 601 1HG1 VAL 601 -1.156 7.378 -8.927 962 HG12 VAL 601 2HG1 VAL 601 -1.368 5.925 -7.951 963 HG13 VAL 601 3HG1 VAL 601 -1.635 7.514 -7.238 964 HG21 VAL 601 3HG2 VAL 601 -3.446 5.093 -7.384 965 HG22 VAL 601 1HG2 VAL 601 -4.942 5.754 -8.040 966 HG23 VAL 601 2HG2 VAL 601 -4.154 6.541 -6.672 967 H ASN 602 H ASN 602 -4.167 8.529 -11.085 968 HA ASN 602 HA ASN 602 -1.672 9.653 -11.828 969 HB2 ASN 602 2HB ASN 602 -4.348 9.482 -13.214 970 HB3 ASN 602 1HB ASN 602 -2.974 10.293 -13.962 971 HD21 ASN 602 1HD2 ASN 602 -1.395 9.103 -14.883 972 HD22 ASN 602 2HD2 ASN 602 -1.396 7.377 -14.959 973 H GLU 603 H GLU 603 -4.768 11.004 -10.906 974 HA GLU 603 HA GLU 603 -4.185 13.692 -11.613 975 HB2 GLU 603 2HB GLU 603 -6.466 12.535 -11.073 976 HB3 GLU 603 1HB GLU 603 -6.096 12.961 -9.408 977 HG2 GLU 603 2HG GLU 603 -5.956 15.080 -11.508 978 HG3 GLU 603 1HG GLU 603 -7.531 14.542 -10.934 979 H VAL 604 H VAL 604 -4.243 12.124 -8.359 980 HA VAL 604 HA VAL 604 -3.207 14.350 -7.032 981 HB VAL 604 HB VAL 604 -4.299 12.409 -5.899 982 HG11 VAL 604 1HG1 VAL 604 -3.112 10.452 -5.349 983 HG12 VAL 604 2HG1 VAL 604 -1.593 11.106 -5.970 984 HG13 VAL 604 3HG1 VAL 604 -2.890 10.682 -7.086 985 HG21 VAL 604 3HG2 VAL 604 -2.056 12.487 -4.191 986 HG22 VAL 604 1HG2 VAL 604 -3.512 13.468 -4.112 987 HG23 VAL 604 2HG2 VAL 604 -2.115 14.046 -5.009 988 H LYS 605 H LYS 605 -1.626 11.917 -8.902 989 HA LYS 605 HA LYS 605 1.017 12.342 -7.885 990 HB2 LYS 605 2HB LYS 605 -0.185 10.899 -10.204 991 HB3 LYS 605 1HB LYS 605 1.518 11.315 -10.313 992 HG2 LYS 605 2HG LYS 605 1.740 10.181 -8.020 993 HG3 LYS 605 1HG LYS 605 0.151 9.495 -8.366 994 HD2 LYS 605 2HD LYS 605 1.102 8.665 -10.544 995 HD3 LYS 605 1HD LYS 605 2.689 9.158 -9.955 996 HE2 LYS 605 2HE LYS 605 0.926 6.939 -9.038 997 HE3 LYS 605 1HE LYS 605 2.655 6.942 -9.343 998 HZ1 LYS 605 3HZ LYS 605 2.790 8.448 -7.314 999 HZ2 LYS 605 1HZ LYS 605 2.450 6.813 -7.040 1000 HZ3 LYS 605 2HZ LYS 605 1.208 7.957 -6.976 1001 H ARG 606 H ARG 606 -0.694 13.407 -10.813 1002 HA ARG 606 HA ARG 606 1.409 15.004 -11.806 1003 HB2 ARG 606 2HB ARG 606 -1.085 14.238 -12.735 1004 HB3 ARG 606 1HB ARG 606 -1.295 15.960 -12.464 1005 HG2 ARG 606 2HG ARG 606 -0.633 15.703 -14.712 1006 HG3 ARG 606 1HG ARG 606 0.771 16.329 -13.847 1007 HD2 ARG 606 2HD ARG 606 0.506 13.374 -14.103 1008 HD3 ARG 606 1HD ARG 606 0.948 14.288 -15.544 1009 HE ARG 606 HE ARG 606 2.632 15.199 -13.585 1010 HH11 ARG 606 1HH1 ARG 606 1.916 12.089 -15.007 1011 HH12 ARG 606 2HH1 ARG 606 3.502 11.456 -14.721 1012 HH21 ARG 606 1HH2 ARG 606 4.713 14.370 -13.210 1013 HH22 ARG 606 2HH2 ARG 606 5.091 12.752 -13.701 1014 H GLN 607 H GLN 607 -0.955 15.492 -9.330 1015 HA GLN 607 HA GLN 607 -0.701 18.361 -9.263 1016 HB2 GLN 607 2HB GLN 607 -2.080 16.327 -7.540 1017 HB3 GLN 607 1HB GLN 607 -1.934 17.996 -7.008 1018 HG2 GLN 607 2HG GLN 607 -2.980 18.609 -9.265 1019 HG3 GLN 607 1HG GLN 607 -3.422 16.906 -9.370 1020 HE21 GLN 607 1HE2 GLN 607 -4.107 16.304 -6.823 1021 HE22 GLN 607 2HE2 GLN 607 -5.478 17.231 -6.331 1022 H ALA 608 H ALA 608 0.283 15.791 -6.903 1023 HA ALA 608 HA ALA 608 1.578 17.339 -5.082 1024 HB1 ALA 608 1HB ALA 608 2.685 14.694 -5.982 1025 HB2 ALA 608 2HB ALA 608 1.181 14.830 -5.072 1026 HB3 ALA 608 3HB ALA 608 2.693 15.399 -4.365 1027 H MET 609 H MET 609 2.749 16.358 -8.228 1028 HA MET 609 HA MET 609 5.460 17.110 -7.805 1029 HB2 MET 609 2HB MET 609 5.847 16.605 -10.024 1030 HB3 MET 609 1HB MET 609 4.413 15.644 -9.696 1031 HG2 MET 609 2HG MET 609 3.841 16.577 -11.700 1032 HG3 MET 609 1HG MET 609 3.155 17.759 -10.591 1033 HE1 MET 609 3HE MET 609 6.488 18.361 -13.616 1034 HE2 MET 609 1HE MET 609 5.032 17.376 -13.762 1035 HE3 MET 609 2HE MET 609 6.339 16.865 -12.694 1036 H THR 610 H THR 610 2.611 18.900 -8.841 1037 HA THR 610 HA THR 610 4.049 21.228 -9.675 1038 HB THR 610 HB THR 610 1.490 22.077 -8.889 1039 HG1 THR 610 1HG THR 610 0.751 20.043 -8.526 1040 HG21 THR 610 3HG2 THR 610 2.657 22.552 -11.041 1041 HG22 THR 610 1HG2 THR 610 0.943 22.166 -11.191 1042 HG23 THR 610 2HG2 THR 610 2.159 20.952 -11.591 1043 H GLU 611 H GLU 611 2.606 20.111 -6.671 1044 HA GLU 611 HA GLU 611 2.928 22.496 -5.196 1045 HB2 GLU 611 2HB GLU 611 2.748 19.601 -4.377 1046 HB3 GLU 611 1HB GLU 611 2.934 20.888 -3.193 1047 HG2 GLU 611 2HG GLU 611 0.681 20.669 -5.176 1048 HG3 GLU 611 1HG GLU 611 0.603 20.185 -3.482 1049 H LEU 612 H LEU 612 5.060 19.993 -6.139 1050 HA LEU 612 HA LEU 612 7.213 20.807 -4.350 1051 HB2 LEU 612 2HB LEU 612 6.746 18.541 -6.219 1052 HB3 LEU 612 1HB LEU 612 8.409 18.979 -5.886 1053 HG LEU 612 HG LEU 612 6.486 18.468 -3.633 1054 HD11 LEU 612 1HD1 LEU 612 7.103 16.160 -3.573 1055 HD12 LEU 612 2HD1 LEU 612 8.197 16.363 -4.940 1056 HD13 LEU 612 3HD1 LEU 612 6.456 16.512 -5.175 1057 HD21 LEU 612 3HD2 LEU 612 8.558 19.516 -3.016 1058 HD22 LEU 612 1HD2 LEU 612 9.482 18.316 -3.921 1059 HD23 LEU 612 2HD2 LEU 612 8.588 17.838 -2.478 1060 H GLN 613 H GLN 613 6.806 20.460 -7.867 1061 HA GLN 613 HA GLN 613 9.156 21.527 -8.740 1062 HB2 GLN 613 2HB GLN 613 7.357 20.526 -10.154 1063 HB3 GLN 613 1HB GLN 613 6.487 22.051 -10.045 1064 HG2 GLN 613 2HG GLN 613 8.168 23.203 -11.241 1065 HG3 GLN 613 1HG GLN 613 9.287 21.849 -11.110 1066 HE21 GLN 613 1HE2 GLN 613 8.994 22.789 -13.536 1067 HE22 GLN 613 2HE2 GLN 613 7.999 21.772 -14.518 1068 H LYS 614 H LYS 614 6.538 23.294 -7.265 1069 HA LYS 614 HA LYS 614 8.149 25.639 -7.071 1070 HB2 LYS 614 2HB LYS 614 6.966 27.144 -8.492 1071 HB3 LYS 614 1HB LYS 614 7.400 25.744 -9.462 1072 HG2 LYS 614 2HG LYS 614 4.885 25.099 -8.493 1073 HG3 LYS 614 1HG LYS 614 4.774 26.828 -8.819 1074 HD2 LYS 614 2HD LYS 614 5.474 26.489 -11.105 1075 HD3 LYS 614 1HD LYS 614 5.776 24.776 -10.797 1076 HE2 LYS 614 2HE LYS 614 3.693 24.841 -11.879 1077 HE3 LYS 614 1HE LYS 614 3.312 24.619 -10.171 1078 HZ1 LYS 614 3HZ LYS 614 2.100 26.418 -11.634 1079 HZ2 LYS 614 1HZ LYS 614 3.438 27.357 -11.192 1080 HZ3 LYS 614 2HZ LYS 614 2.439 26.694 -10.000 1081 H ALA 615 H ALA 615 7.036 24.351 -5.026 1082 HA ALA 615 HA ALA 615 5.436 26.348 -3.828 1083 HB1 ALA 615 1HB ALA 615 3.946 24.534 -5.346 1084 HB2 ALA 615 2HB ALA 615 3.335 25.689 -4.165 1085 HB3 ALA 615 3HB ALA 615 3.706 24.039 -3.671
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