NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621885 | 5tn2 | 30194 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 14.890 -6.611 -6.431 2 H2 GLY 1 H2 GLY 1 14.894 -7.954 -5.489 3 H3 GLY 1 H3 GLY 1 14.733 -6.472 -4.805 4 HA2 GLY 1 HA2 GLY 1 12.775 -7.777 -6.582 5 HA3 GLY 1 HA3 GLY 1 12.607 -7.566 -4.830 6 H SER 2 H SER 2 10.543 -6.588 -5.772 7 HA SER 2 HA SER 2 10.656 -3.984 -7.031 8 HB2 SER 2 HB2 SER 2 8.302 -5.466 -5.811 9 HB3 SER 2 HB3 SER 2 8.224 -4.073 -6.908 10 HG SER 2 HG SER 2 7.957 -6.064 -8.019 11 H HIS 3 H HIS 3 12.161 -3.397 -5.008 12 HA HIS 3 HA HIS 3 10.865 -2.586 -2.565 13 HB2 HIS 3 HB2 HIS 3 13.533 -1.657 -3.668 14 HB3 HIS 3 HB3 HIS 3 13.008 -1.621 -1.987 15 HD1 HIS 3 HD1 HIS 3 12.402 -4.360 -1.069 16 HD2 HIS 3 HD2 HIS 3 15.020 -3.677 -4.292 17 HE1 HIS 3 HE1 HIS 3 13.737 -6.510 -1.369 18 H MET 4 H MET 4 10.670 -0.512 -1.697 19 HA MET 4 HA MET 4 10.061 1.616 -1.496 20 HB2 MET 4 HB2 MET 4 11.555 2.217 -4.057 21 HB3 MET 4 HB3 MET 4 11.181 3.330 -2.744 22 HG2 MET 4 HG2 MET 4 13.071 0.955 -2.621 23 HG3 MET 4 HG3 MET 4 13.517 2.652 -2.674 24 HE1 MET 4 HE1 MET 4 14.547 1.200 0.902 25 HE2 MET 4 HE2 MET 4 14.370 0.225 -0.574 26 HE3 MET 4 HE3 MET 4 15.160 1.818 -0.649 27 H GLU 5 H GLU 5 8.942 3.540 -2.346 28 HA GLU 5 HA GLU 5 6.489 2.750 -3.760 29 HB2 GLU 5 HB2 GLU 5 7.226 5.467 -2.614 30 HB3 GLU 5 HB3 GLU 5 5.616 4.850 -2.979 31 HG2 GLU 5 HG2 GLU 5 7.466 4.041 -0.717 32 HG3 GLU 5 HG3 GLU 5 5.893 4.818 -0.608 33 H TYR 6 H TYR 6 9.269 3.345 -5.126 34 HA TYR 6 HA TYR 6 8.472 5.155 -7.318 35 HB2 TYR 6 HB2 TYR 6 9.091 6.441 -5.133 36 HB3 TYR 6 HB3 TYR 6 10.715 5.855 -5.383 37 HD1 TYR 6 HD1 TYR 6 7.980 7.973 -6.745 38 HD2 TYR 6 HD2 TYR 6 12.165 6.964 -6.993 39 HE1 TYR 6 HE1 TYR 6 8.393 10.169 -7.621 40 HE2 TYR 6 HE2 TYR 6 12.593 9.132 -8.135 41 HH TYR 6 HH TYR 6 10.418 11.706 -7.933 42 H ASP 7 H ASP 7 10.130 5.296 -8.976 43 HA ASP 7 HA ASP 7 12.517 3.569 -8.774 44 HB2 ASP 7 HB2 ASP 7 10.598 2.070 -9.396 45 HB3 ASP 7 HB3 ASP 7 10.383 3.010 -10.870 46 H GLY 8 H GLY 8 12.770 6.189 -8.899 47 HA2 GLY 8 HA2 GLY 8 13.780 7.930 -10.034 48 HA3 GLY 8 HA3 GLY 8 14.138 6.818 -11.359 49 H GLN 9 H GLN 9 10.844 6.957 -10.572 50 HA GLN 9 HA GLN 9 10.018 8.862 -12.674 51 HB2 GLN 9 HB2 GLN 9 10.517 6.810 -13.861 52 HB3 GLN 9 HB3 GLN 9 9.663 5.843 -12.663 53 HG2 GLN 9 HG2 GLN 9 8.391 6.108 -14.788 54 HG3 GLN 9 HG3 GLN 9 7.519 6.639 -13.364 55 HE21 GLN 9 HE21 GLN 9 6.204 8.324 -14.032 56 HE22 GLN 9 HE22 GLN 9 6.757 9.649 -15.057 57 H LEU 10 H LEU 10 7.928 9.649 -12.318 58 HA LEU 10 HA LEU 10 6.745 9.075 -9.751 59 HB2 LEU 10 HB2 LEU 10 6.708 11.306 -11.098 60 HB3 LEU 10 HB3 LEU 10 5.340 10.627 -11.966 61 HG LEU 10 HG LEU 10 4.886 12.219 -10.125 62 HD11 LEU 10 HD11 LEU 10 3.020 11.270 -9.292 63 HD12 LEU 10 HD12 LEU 10 3.710 9.626 -9.223 64 HD13 LEU 10 HD13 LEU 10 3.277 10.357 -10.782 65 HD21 LEU 10 HD21 LEU 10 5.626 10.133 -8.083 66 HD22 LEU 10 HD22 LEU 10 5.612 11.907 -7.962 67 HD23 LEU 10 HD23 LEU 10 6.891 11.143 -8.814 68 H ASP 11 H ASP 11 5.311 7.697 -9.209 69 HA ASP 11 HA ASP 11 4.371 5.610 -10.898 70 HB2 ASP 11 HB2 ASP 11 4.777 5.919 -8.238 71 HB3 ASP 11 HB3 ASP 11 3.088 6.349 -8.291 72 H SER 12 H SER 12 2.356 5.278 -11.874 73 HA SER 12 HA SER 12 0.806 7.510 -12.686 74 HB2 SER 12 HB2 SER 12 0.907 5.536 -13.967 75 HB3 SER 12 HB3 SER 12 0.167 4.570 -12.668 76 HG SER 12 HG SER 12 -1.022 6.567 -14.311 77 H GLU 13 H GLU 13 0.479 5.449 -9.861 78 HA GLU 13 HA GLU 13 -2.109 6.186 -8.955 79 HB2 GLU 13 HB2 GLU 13 0.432 5.306 -7.536 80 HB3 GLU 13 HB3 GLU 13 -1.087 5.538 -6.690 81 HG2 GLU 13 HG2 GLU 13 -0.665 3.631 -9.029 82 HG3 GLU 13 HG3 GLU 13 -0.609 3.163 -7.333 83 H TRP 14 H TRP 14 0.949 7.965 -8.657 84 HA TRP 14 HA TRP 14 -0.402 9.945 -6.904 85 HB2 TRP 14 HB2 TRP 14 2.467 10.289 -7.451 86 HB3 TRP 14 HB3 TRP 14 1.518 10.583 -6.009 87 HD1 TRP 14 HD1 TRP 14 4.144 8.470 -7.077 88 HE1 TRP 14 HE1 TRP 14 4.218 6.162 -5.908 89 HE3 TRP 14 HE3 TRP 14 -0.446 8.540 -4.831 90 HZ2 TRP 14 HZ2 TRP 14 2.420 4.491 -4.398 91 HZ3 TRP 14 HZ3 TRP 14 -1.271 6.568 -3.565 92 HH2 TRP 14 HH2 TRP 14 0.122 4.524 -3.387 93 H GLU 15 H GLU 15 1.041 9.618 -10.076 94 HA GLU 15 HA GLU 15 0.902 12.247 -11.106 95 HB2 GLU 15 HB2 GLU 15 1.847 10.543 -12.497 96 HB3 GLU 15 HB3 GLU 15 0.469 9.475 -12.255 97 HG2 GLU 15 HG2 GLU 15 -0.962 10.993 -13.594 98 HG3 GLU 15 HG3 GLU 15 0.461 11.984 -13.957 99 H LYS 16 H LYS 16 -1.605 9.734 -10.887 100 HA LYS 16 HA LYS 16 -3.666 11.364 -12.094 101 HB2 LYS 16 HB2 LYS 16 -5.236 9.657 -11.492 102 HB3 LYS 16 HB3 LYS 16 -3.757 8.970 -12.157 103 HG2 LYS 16 HG2 LYS 16 -3.912 7.541 -10.484 104 HG3 LYS 16 HG3 LYS 16 -3.146 8.810 -9.538 105 HD2 LYS 16 HD2 LYS 16 -5.345 9.588 -8.725 106 HD3 LYS 16 HD3 LYS 16 -6.171 8.374 -9.706 107 HE2 LYS 16 HE2 LYS 16 -4.114 7.712 -7.556 108 HE3 LYS 16 HE3 LYS 16 -5.844 7.791 -7.228 109 HZ1 LYS 16 HZ1 LYS 16 -4.771 5.524 -7.847 110 HZ2 LYS 16 HZ2 LYS 16 -4.837 6.038 -9.378 111 HZ3 LYS 16 HZ3 LYS 16 -6.227 5.900 -8.529 112 H LEU 17 H LEU 17 -2.662 11.082 -8.744 113 HA LEU 17 HA LEU 17 -4.912 12.497 -7.572 114 HB2 LEU 17 HB2 LEU 17 -2.043 12.076 -6.658 115 HB3 LEU 17 HB3 LEU 17 -3.267 12.804 -5.651 116 HG LEU 17 HG LEU 17 -3.608 10.019 -6.821 117 HD11 LEU 17 HD11 LEU 17 -2.737 10.647 -3.998 118 HD12 LEU 17 HD12 LEU 17 -1.554 10.390 -5.295 119 HD13 LEU 17 HD13 LEU 17 -2.702 9.102 -4.885 120 HD21 LEU 17 HD21 LEU 17 -5.157 9.806 -4.891 121 HD22 LEU 17 HD22 LEU 17 -5.702 10.980 -6.102 122 HD23 LEU 17 HD23 LEU 17 -4.962 11.556 -4.591 123 H VAL 18 H VAL 18 -1.605 13.547 -8.621 124 HA VAL 18 HA VAL 18 -2.177 16.308 -7.933 125 HB VAL 18 HB VAL 18 0.072 15.408 -7.964 126 HG11 VAL 18 HG11 VAL 18 0.146 13.959 -9.809 127 HG12 VAL 18 HG12 VAL 18 -0.354 15.185 -10.953 128 HG13 VAL 18 HG13 VAL 18 1.262 15.291 -10.205 129 HG21 VAL 18 HG21 VAL 18 1.199 17.282 -8.969 130 HG22 VAL 18 HG22 VAL 18 -0.236 17.707 -9.921 131 HG23 VAL 18 HG23 VAL 18 -0.279 17.839 -8.157 132 H ARG 19 H ARG 19 -2.306 14.644 -11.144 133 HA ARG 19 HA ARG 19 -3.325 16.826 -12.651 134 HB2 ARG 19 HB2 ARG 19 -3.655 13.804 -12.820 135 HB3 ARG 19 HB3 ARG 19 -4.413 14.911 -13.996 136 HG2 ARG 19 HG2 ARG 19 -2.103 15.832 -14.403 137 HG3 ARG 19 HG3 ARG 19 -1.449 14.450 -13.527 138 HD2 ARG 19 HD2 ARG 19 -3.169 14.439 -16.052 139 HD3 ARG 19 HD3 ARG 19 -1.420 14.330 -15.988 140 HE ARG 19 HE ARG 19 -1.523 12.122 -15.189 141 HH11 ARG 19 HH11 ARG 19 -4.818 13.226 -15.891 142 HH12 ARG 19 HH12 ARG 19 -5.402 11.589 -15.878 143 HH21 ARG 19 HH21 ARG 19 -2.302 10.150 -15.491 144 HH22 ARG 19 HH22 ARG 19 -4.023 9.885 -15.658 145 H ASP 20 H ASP 20 -5.141 14.428 -10.688 146 HA ASP 20 HA ASP 20 -7.752 15.453 -11.087 147 HB2 ASP 20 HB2 ASP 20 -6.295 13.924 -8.946 148 HB3 ASP 20 HB3 ASP 20 -7.815 14.656 -8.501 149 H ALA 21 H ALA 21 -5.273 16.480 -8.640 150 HA ALA 21 HA ALA 21 -6.969 18.414 -7.403 151 HB1 ALA 21 HB1 ALA 21 -4.844 19.377 -6.559 152 HB2 ALA 21 HB2 ALA 21 -4.899 17.615 -6.384 153 HB3 ALA 21 HB3 ALA 21 -3.932 18.361 -7.679 154 H MET 22 H MET 22 -4.676 18.711 -10.142 155 HA MET 22 HA MET 22 -5.052 21.470 -10.586 156 HB2 MET 22 HB2 MET 22 -4.362 19.365 -12.643 157 HB3 MET 22 HB3 MET 22 -4.214 21.108 -12.825 158 HG2 MET 22 HG2 MET 22 -2.357 19.233 -11.577 159 HG3 MET 22 HG3 MET 22 -2.098 20.789 -12.246 160 HE1 MET 22 HE1 MET 22 -3.583 23.018 -10.184 161 HE2 MET 22 HE2 MET 22 -1.907 23.244 -9.601 162 HE3 MET 22 HE3 MET 22 -2.218 22.843 -11.306 163 H THR 23 H THR 23 -6.912 18.702 -12.022 164 HA THR 23 HA THR 23 -8.671 20.479 -13.516 165 HB THR 23 HB THR 23 -10.000 18.474 -13.996 166 HG1 THR 23 HG1 THR 23 -9.778 17.244 -12.177 167 HG21 THR 23 HG21 THR 23 -7.011 18.053 -14.313 168 HG22 THR 23 HG22 THR 23 -8.057 18.997 -15.393 169 HG23 THR 23 HG23 THR 23 -8.291 17.243 -15.245 170 H SER 24 H SER 24 -8.904 19.000 -10.293 171 HA SER 24 HA SER 24 -11.703 19.558 -9.941 172 HB2 SER 24 HB2 SER 24 -10.661 17.856 -8.644 173 HB3 SER 24 HB3 SER 24 -9.481 18.968 -7.948 174 HG SER 24 HG SER 24 -12.319 19.005 -7.609 175 H GLY 25 H GLY 25 -8.840 21.572 -9.642 176 HA2 GLY 25 HA2 GLY 25 -8.673 23.873 -9.217 177 HA3 GLY 25 HA3 GLY 25 -10.388 23.951 -8.792 178 H VAL 26 H VAL 26 -8.253 21.536 -7.425 179 HA VAL 26 HA VAL 26 -8.666 22.274 -4.649 180 HB VAL 26 HB VAL 26 -6.918 20.331 -6.127 181 HG11 VAL 26 HG11 VAL 26 -6.725 20.853 -3.188 182 HG12 VAL 26 HG12 VAL 26 -6.374 19.270 -3.913 183 HG13 VAL 26 HG13 VAL 26 -5.438 20.700 -4.385 184 HG21 VAL 26 HG21 VAL 26 -9.195 20.009 -4.145 185 HG22 VAL 26 HG22 VAL 26 -9.320 19.836 -5.888 186 HG23 VAL 26 HG23 VAL 26 -8.354 18.683 -4.967 187 H SER 27 H SER 27 -7.249 23.208 -3.218 188 HA SER 27 HA SER 27 -5.859 25.463 -4.078 189 HB2 SER 27 HB2 SER 27 -5.617 23.968 -1.459 190 HB3 SER 27 HB3 SER 27 -5.075 25.637 -1.755 191 HG SER 27 HG SER 27 -7.203 25.495 -0.823 192 H LYS 28 H LYS 28 -4.228 25.155 -5.550 193 HA LYS 28 HA LYS 28 -2.227 23.188 -5.462 194 HB2 LYS 28 HB2 LYS 28 -1.140 24.424 -7.235 195 HB3 LYS 28 HB3 LYS 28 -2.886 24.419 -7.459 196 HG2 LYS 28 HG2 LYS 28 -2.919 26.770 -6.425 197 HG3 LYS 28 HG3 LYS 28 -1.147 26.733 -6.508 198 HD2 LYS 28 HD2 LYS 28 -1.356 26.256 -8.981 199 HD3 LYS 28 HD3 LYS 28 -3.095 26.487 -8.855 200 HE2 LYS 28 HE2 LYS 28 -0.996 28.585 -8.118 201 HE3 LYS 28 HE3 LYS 28 -1.777 28.474 -9.696 202 HZ1 LYS 28 HZ1 LYS 28 -2.907 30.087 -8.312 203 HZ2 LYS 28 HZ2 LYS 28 -3.200 28.993 -7.140 204 HZ3 LYS 28 HZ3 LYS 28 -3.923 28.848 -8.603 205 H LYS 29 H LYS 29 -2.260 26.251 -3.760 206 HA LYS 29 HA LYS 29 0.463 26.243 -2.835 207 HB2 LYS 29 HB2 LYS 29 -0.353 27.783 -1.121 208 HB3 LYS 29 HB3 LYS 29 -0.926 28.206 -2.736 209 HG2 LYS 29 HG2 LYS 29 -3.014 26.624 -1.795 210 HG3 LYS 29 HG3 LYS 29 -2.449 27.365 -0.306 211 HD2 LYS 29 HD2 LYS 29 -3.268 28.806 -2.863 212 HD3 LYS 29 HD3 LYS 29 -4.270 28.639 -1.411 213 HE2 LYS 29 HE2 LYS 29 -2.582 29.904 -0.087 214 HE3 LYS 29 HE3 LYS 29 -1.588 30.102 -1.535 215 HZ1 LYS 29 HZ1 LYS 29 -3.423 31.356 -2.544 216 HZ2 LYS 29 HZ2 LYS 29 -2.970 32.056 -1.143 217 HZ3 LYS 29 HZ3 LYS 29 -4.341 31.176 -1.202 218 H GLN 30 H GLN 30 -2.406 24.509 -1.640 219 HA GLN 30 HA GLN 30 -1.269 23.786 0.904 220 HB2 GLN 30 HB2 GLN 30 -3.460 22.488 -0.776 221 HB3 GLN 30 HB3 GLN 30 -3.015 21.937 0.822 222 HG2 GLN 30 HG2 GLN 30 -4.017 24.743 0.171 223 HG3 GLN 30 HG3 GLN 30 -5.018 23.435 0.796 224 HE21 GLN 30 HE21 GLN 30 -4.508 26.085 2.028 225 HE22 GLN 30 HE22 GLN 30 -3.766 25.706 3.576 226 H PHE 31 H PHE 31 -1.014 22.343 -2.330 227 HA PHE 31 HA PHE 31 0.121 19.814 -1.622 228 HB2 PHE 31 HB2 PHE 31 0.030 21.546 -4.032 229 HB3 PHE 31 HB3 PHE 31 1.479 20.579 -3.901 230 HD1 PHE 31 HD1 PHE 31 -2.263 20.087 -3.481 231 HD2 PHE 31 HD2 PHE 31 1.508 18.522 -4.899 232 HE1 PHE 31 HE1 PHE 31 -3.421 18.127 -4.411 233 HE2 PHE 31 HE2 PHE 31 0.325 16.571 -5.857 234 HZ PHE 31 HZ PHE 31 -2.128 16.327 -5.561 235 H ARG 32 H ARG 32 1.831 22.893 -2.340 236 HA ARG 32 HA ARG 32 4.416 21.900 -1.624 237 HB2 ARG 32 HB2 ARG 32 4.145 23.819 -3.097 238 HB3 ARG 32 HB3 ARG 32 3.265 24.707 -1.856 239 HG2 ARG 32 HG2 ARG 32 5.539 25.567 -2.024 240 HG3 ARG 32 HG3 ARG 32 5.286 24.832 -0.461 241 HD2 ARG 32 HD2 ARG 32 6.387 22.696 -1.460 242 HD3 ARG 32 HD3 ARG 32 6.917 23.722 -2.785 243 HE ARG 32 HE ARG 32 7.836 23.680 0.025 244 HH11 ARG 32 HH11 ARG 32 8.043 25.638 -2.898 245 HH12 ARG 32 HH12 ARG 32 9.432 26.489 -2.276 246 HH21 ARG 32 HH21 ARG 32 9.420 24.725 0.708 247 HH22 ARG 32 HH22 ARG 32 10.241 25.982 -0.228 248 H GLU 33 H GLU 33 2.179 23.923 0.300 249 HA GLU 33 HA GLU 33 3.905 24.052 2.590 250 HB2 GLU 33 HB2 GLU 33 0.862 24.231 2.459 251 HB3 GLU 33 HB3 GLU 33 1.859 24.669 3.846 252 HG2 GLU 33 HG2 GLU 33 1.695 26.079 1.185 253 HG3 GLU 33 HG3 GLU 33 1.272 26.695 2.782 254 H PHE 34 H PHE 34 1.270 21.665 1.857 255 HA PHE 34 HA PHE 34 1.627 20.201 4.274 256 HB2 PHE 34 HB2 PHE 34 -0.357 20.221 2.654 257 HB3 PHE 34 HB3 PHE 34 0.535 19.034 1.706 258 HD1 PHE 34 HD1 PHE 34 -1.469 19.733 4.653 259 HD2 PHE 34 HD2 PHE 34 1.031 16.731 2.808 260 HE1 PHE 34 HE1 PHE 34 -2.388 18.017 6.190 261 HE2 PHE 34 HE2 PHE 34 0.181 15.062 4.400 262 HZ PHE 34 HZ PHE 34 -1.570 15.674 6.068 263 H LEU 35 H LEU 35 3.188 19.887 1.066 264 HA LEU 35 HA LEU 35 4.633 17.498 1.471 265 HB2 LEU 35 HB2 LEU 35 4.663 19.730 -0.358 266 HB3 LEU 35 HB3 LEU 35 6.308 19.513 0.164 267 HG LEU 35 HG LEU 35 6.009 18.300 -1.846 268 HD11 LEU 35 HD11 LEU 35 6.861 16.259 -1.272 269 HD12 LEU 35 HD12 LEU 35 5.846 16.087 0.177 270 HD13 LEU 35 HD13 LEU 35 7.233 17.198 0.171 271 HD21 LEU 35 HD21 LEU 35 3.583 18.174 -1.813 272 HD22 LEU 35 HD22 LEU 35 3.647 16.920 -0.560 273 HD23 LEU 35 HD23 LEU 35 4.334 16.631 -2.185 274 H ASP 36 H ASP 36 5.757 20.847 2.168 275 HA ASP 36 HA ASP 36 8.168 19.953 3.440 276 HB2 ASP 36 HB2 ASP 36 6.767 22.629 3.513 277 HB3 ASP 36 HB3 ASP 36 8.355 22.310 4.215 278 H TYR 37 H TYR 37 4.967 20.770 4.782 279 HA TYR 37 HA TYR 37 5.546 20.461 7.544 280 HB2 TYR 37 HB2 TYR 37 3.480 21.325 6.926 281 HB3 TYR 37 HB3 TYR 37 3.163 20.050 5.774 282 HD1 TYR 37 HD1 TYR 37 3.994 19.901 9.463 283 HD2 TYR 37 HD2 TYR 37 1.187 19.014 6.304 284 HE1 TYR 37 HE1 TYR 37 2.517 18.721 11.086 285 HE2 TYR 37 HE2 TYR 37 -0.291 17.868 7.936 286 HH TYR 37 HH TYR 37 -0.552 17.148 10.097 287 H GLN 38 H GLN 38 4.476 17.840 5.223 288 HA GLN 38 HA GLN 38 4.910 15.798 7.221 289 HB2 GLN 38 HB2 GLN 38 4.726 15.569 4.192 290 HB3 GLN 38 HB3 GLN 38 4.878 14.201 5.294 291 HG2 GLN 38 HG2 GLN 38 2.560 16.145 5.188 292 HG3 GLN 38 HG3 GLN 38 2.563 14.449 4.674 293 HE21 GLN 38 HE21 GLN 38 0.843 15.826 6.698 294 HE22 GLN 38 HE22 GLN 38 1.079 14.873 8.155 295 H LYS 39 H LYS 39 7.097 17.096 4.687 296 HA LYS 39 HA LYS 39 9.245 15.248 4.992 297 HB2 LYS 39 HB2 LYS 39 9.029 18.184 4.300 298 HB3 LYS 39 HB3 LYS 39 10.610 17.440 4.445 299 HG2 LYS 39 HG2 LYS 39 10.363 16.121 2.605 300 HG3 LYS 39 HG3 LYS 39 8.609 16.162 2.539 301 HD2 LYS 39 HD2 LYS 39 8.568 18.360 1.685 302 HD3 LYS 39 HD3 LYS 39 10.219 18.718 2.225 303 HE2 LYS 39 HE2 LYS 39 11.095 17.160 0.489 304 HE3 LYS 39 HE3 LYS 39 9.443 16.883 -0.074 305 HZ1 LYS 39 HZ1 LYS 39 9.317 19.372 -0.408 306 HZ2 LYS 39 HZ2 LYS 39 10.416 18.664 -1.404 307 HZ3 LYS 39 HZ3 LYS 39 10.896 19.483 -0.071 308 H TRP 40 H TRP 40 8.648 18.284 6.821 309 HA TRP 40 HA TRP 40 10.771 17.735 8.729 310 HB2 TRP 40 HB2 TRP 40 8.844 19.924 8.188 311 HB3 TRP 40 HB3 TRP 40 9.427 19.803 9.831 312 HD1 TRP 40 HD1 TRP 40 11.676 20.783 10.405 313 HE1 TRP 40 HE1 TRP 40 13.730 21.667 9.146 314 HE3 TRP 40 HE3 TRP 40 10.230 19.705 5.608 315 HZ2 TRP 40 HZ2 TRP 40 14.605 21.927 6.424 316 HZ3 TRP 40 HZ3 TRP 40 11.710 20.267 3.695 317 HH2 TRP 40 HH2 TRP 40 13.900 21.373 4.089 318 H ARG 41 H ARG 41 7.722 16.328 8.612 319 HA ARG 41 HA ARG 41 7.808 15.723 11.563 320 HB2 ARG 41 HB2 ARG 41 5.648 15.902 9.503 321 HB3 ARG 41 HB3 ARG 41 5.590 14.443 10.437 322 HG2 ARG 41 HG2 ARG 41 4.118 16.035 11.434 323 HG3 ARG 41 HG3 ARG 41 5.429 15.728 12.546 324 HD2 ARG 41 HD2 ARG 41 5.307 18.180 10.701 325 HD3 ARG 41 HD3 ARG 41 4.688 18.161 12.337 326 HE ARG 41 HE ARG 41 7.525 18.045 11.498 327 HH11 ARG 41 HH11 ARG 41 5.385 17.958 14.310 328 HH12 ARG 41 HH12 ARG 41 6.712 18.349 15.376 329 HH21 ARG 41 HH21 ARG 41 9.092 18.326 12.876 330 HH22 ARG 41 HH22 ARG 41 8.787 18.549 14.586 331 H LYS 42 H LYS 42 7.728 14.131 8.423 332 HA LYS 42 HA LYS 42 8.148 11.433 9.469 333 HB2 LYS 42 HB2 LYS 42 8.098 12.582 6.631 334 HB3 LYS 42 HB3 LYS 42 8.169 10.868 7.027 335 HG2 LYS 42 HG2 LYS 42 5.846 12.757 7.607 336 HG3 LYS 42 HG3 LYS 42 5.941 11.511 6.376 337 HD2 LYS 42 HD2 LYS 42 4.736 10.360 7.915 338 HD3 LYS 42 HD3 LYS 42 6.348 9.891 8.455 339 HE2 LYS 42 HE2 LYS 42 6.245 11.749 10.166 340 HE3 LYS 42 HE3 LYS 42 4.626 12.158 9.586 341 HZ1 LYS 42 HZ1 LYS 42 3.895 9.932 10.256 342 HZ2 LYS 42 HZ2 LYS 42 4.531 10.714 11.540 343 HZ3 LYS 42 HZ3 LYS 42 5.391 9.547 10.791 344 H SER 43 H SER 43 10.184 13.712 7.582 345 HA SER 43 HA SER 43 12.490 11.830 7.863 346 HB2 SER 43 HB2 SER 43 11.958 12.553 5.600 347 HB3 SER 43 HB3 SER 43 12.070 14.251 6.081 348 HG SER 43 HG SER 43 14.151 12.322 5.958 349 H GLN 44 H GLN 44 11.561 15.218 8.524 350 HA GLN 44 HA GLN 44 12.510 16.872 9.680 351 HB2 GLN 44 HB2 GLN 44 12.083 14.904 11.453 352 HB3 GLN 44 HB3 GLN 44 13.809 15.107 11.716 353 HG2 GLN 44 HG2 GLN 44 11.684 17.301 11.839 354 HG3 GLN 44 HG3 GLN 44 12.336 16.469 13.227 355 HE21 GLN 44 HE21 GLN 44 12.955 18.950 10.772 356 HE22 GLN 44 HE22 GLN 44 14.407 19.583 11.516 357 H LYS 45 H LYS 45 13.918 16.083 7.469 358 HA LYS 45 HA LYS 45 16.773 16.340 7.770 359 HB2 LYS 45 HB2 LYS 45 16.710 16.811 5.372 360 HB3 LYS 45 HB3 LYS 45 15.676 15.447 5.783 361 HG2 LYS 45 HG2 LYS 45 13.752 17.321 5.852 362 HG3 LYS 45 HG3 LYS 45 14.893 18.230 4.861 363 HD2 LYS 45 HD2 LYS 45 13.845 15.423 4.296 364 HD3 LYS 45 HD3 LYS 45 13.212 16.897 3.557 365 HE2 LYS 45 HE2 LYS 45 15.248 17.325 2.369 366 HE3 LYS 45 HE3 LYS 45 16.142 16.106 3.287 367 HZ1 LYS 45 HZ1 LYS 45 13.849 15.396 1.541 368 HZ2 LYS 45 HZ2 LYS 45 14.909 14.381 2.231 369 HZ3 LYS 45 HZ3 LYS 45 15.414 15.363 1.026 370 H GLU 46 H GLU 46 18.008 18.205 6.980 371 HA GLU 46 HA GLU 46 16.832 20.887 7.373 372 HB2 GLU 46 HB2 GLU 46 19.266 19.889 8.907 373 HB3 GLU 46 HB3 GLU 46 18.739 21.562 8.845 374 HG2 GLU 46 HG2 GLU 46 17.195 19.256 10.099 375 HG3 GLU 46 HG3 GLU 46 18.150 20.457 10.949 376 H GLU 47 H GLU 47 18.206 22.610 6.582 377 HA GLU 47 HA GLU 47 20.530 21.940 4.896 378 HB2 GLU 47 HB2 GLU 47 18.627 21.545 3.403 379 HB3 GLU 47 HB3 GLU 47 18.004 23.169 3.727 380 HG2 GLU 47 HG2 GLU 47 19.953 24.185 2.659 381 HG3 GLU 47 HG3 GLU 47 20.753 22.614 2.539 382 H1 GLY 1 H1 GLY 1 -2.544 20.848 -30.410 383 H2 GLY 1 H2 GLY 1 -3.486 21.446 -31.611 384 H3 GLY 1 H3 GLY 1 -3.348 19.824 -31.406 385 HA2 GLY 1 HA2 GLY 1 -4.583 21.676 -29.474 386 HA3 GLY 1 HA3 GLY 1 -5.479 20.617 -30.580 387 H SER 2 H SER 2 -5.768 20.575 -27.797 388 HA SER 2 HA SER 2 -5.993 19.260 -26.011 389 HB2 SER 2 HB2 SER 2 -6.967 17.672 -27.511 390 HB3 SER 2 HB3 SER 2 -5.379 17.001 -27.926 391 HG SER 2 HG SER 2 -6.548 15.799 -26.303 392 H HIS 3 H HIS 3 -3.077 17.910 -27.594 393 HA HIS 3 HA HIS 3 -1.077 17.244 -26.819 394 HB2 HIS 3 HB2 HIS 3 -1.056 19.528 -24.874 395 HB3 HIS 3 HB3 HIS 3 0.245 18.909 -25.879 396 HD1 HIS 3 HD1 HIS 3 -2.112 21.700 -25.693 397 HD2 HIS 3 HD2 HIS 3 -0.323 19.396 -28.737 398 HE1 HIS 3 HE1 HIS 3 -2.336 23.057 -27.851 399 H MET 4 H MET 4 -3.396 16.163 -25.255 400 HA MET 4 HA MET 4 -3.944 14.977 -23.446 401 HB2 MET 4 HB2 MET 4 -0.985 14.443 -23.058 402 HB3 MET 4 HB3 MET 4 -2.328 13.521 -22.377 403 HG2 MET 4 HG2 MET 4 -3.104 12.978 -24.678 404 HG3 MET 4 HG3 MET 4 -1.677 13.780 -25.336 405 HE1 MET 4 HE1 MET 4 0.761 12.904 -25.184 406 HE2 MET 4 HE2 MET 4 0.724 12.898 -23.404 407 HE3 MET 4 HE3 MET 4 1.265 11.456 -24.286 408 H GLU 5 H GLU 5 -3.511 17.872 -23.052 409 HA GLU 5 HA GLU 5 -2.376 18.501 -20.534 410 HB2 GLU 5 HB2 GLU 5 -4.661 19.743 -22.091 411 HB3 GLU 5 HB3 GLU 5 -4.044 20.421 -20.576 412 HG2 GLU 5 HG2 GLU 5 -1.872 20.819 -21.501 413 HG3 GLU 5 HG3 GLU 5 -2.219 19.866 -22.937 414 H TYR 6 H TYR 6 -2.776 17.580 -18.679 415 HA TYR 6 HA TYR 6 -3.621 16.486 -17.003 416 HB2 TYR 6 HB2 TYR 6 -6.101 18.159 -17.443 417 HB3 TYR 6 HB3 TYR 6 -5.731 17.211 -16.003 418 HD1 TYR 6 HD1 TYR 6 -5.482 20.486 -17.305 419 HD2 TYR 6 HD2 TYR 6 -3.253 17.538 -15.106 420 HE1 TYR 6 HE1 TYR 6 -4.013 22.280 -16.395 421 HE2 TYR 6 HE2 TYR 6 -1.830 19.323 -14.139 422 HH TYR 6 HH TYR 6 -2.201 22.770 -15.074 423 H ASP 7 H ASP 7 -4.831 15.672 -19.901 424 HA ASP 7 HA ASP 7 -6.152 13.218 -18.938 425 HB2 ASP 7 HB2 ASP 7 -6.780 14.483 -21.081 426 HB3 ASP 7 HB3 ASP 7 -5.259 13.910 -21.763 427 H GLY 8 H GLY 8 -3.187 14.154 -18.531 428 HA2 GLY 8 HA2 GLY 8 -1.846 11.787 -18.084 429 HA3 GLY 8 HA3 GLY 8 -1.586 12.055 -19.811 430 H GLN 9 H GLN 9 -1.347 14.898 -19.829 431 HA GLN 9 HA GLN 9 1.345 15.250 -18.759 432 HB2 GLN 9 HB2 GLN 9 0.646 16.158 -20.966 433 HB3 GLN 9 HB3 GLN 9 -0.500 17.225 -20.155 434 HG2 GLN 9 HG2 GLN 9 1.558 18.432 -20.759 435 HG3 GLN 9 HG3 GLN 9 1.338 18.406 -19.014 436 HE21 GLN 9 HE21 GLN 9 3.344 18.131 -17.970 437 HE22 GLN 9 HE22 GLN 9 4.554 17.014 -18.546 438 H LEU 10 H LEU 10 2.015 16.644 -17.160 439 HA LEU 10 HA LEU 10 0.029 18.069 -15.495 440 HB2 LEU 10 HB2 LEU 10 0.519 15.807 -14.588 441 HB3 LEU 10 HB3 LEU 10 2.228 16.215 -14.516 442 HG LEU 10 HG LEU 10 0.986 16.033 -12.448 443 HD11 LEU 10 HD11 LEU 10 1.848 18.866 -12.414 444 HD12 LEU 10 HD12 LEU 10 3.006 17.578 -12.786 445 HD13 LEU 10 HD13 LEU 10 2.101 17.523 -11.268 446 HD21 LEU 10 HD21 LEU 10 -0.316 18.703 -12.719 447 HD22 LEU 10 HD22 LEU 10 -0.851 17.248 -11.867 448 HD23 LEU 10 HD23 LEU 10 -1.045 17.345 -13.587 449 H ASP 11 H ASP 11 0.799 19.954 -14.489 450 HA ASP 11 HA ASP 11 2.882 21.295 -15.899 451 HB2 ASP 11 HB2 ASP 11 0.745 22.120 -14.450 452 HB3 ASP 11 HB3 ASP 11 2.000 22.249 -13.223 453 H SER 12 H SER 12 4.994 21.872 -15.309 454 HA SER 12 HA SER 12 6.462 19.904 -13.921 455 HB2 SER 12 HB2 SER 12 8.358 21.326 -14.311 456 HB3 SER 12 HB3 SER 12 7.261 21.325 -15.717 457 HG SER 12 HG SER 12 8.002 23.442 -15.204 458 H GLU 13 H GLU 13 5.074 22.841 -12.706 459 HA GLU 13 HA GLU 13 6.499 23.106 -10.236 460 HB2 GLU 13 HB2 GLU 13 3.794 24.038 -11.255 461 HB3 GLU 13 HB3 GLU 13 4.393 24.495 -9.666 462 HG2 GLU 13 HG2 GLU 13 5.843 25.072 -12.288 463 HG3 GLU 13 HG3 GLU 13 4.731 26.188 -11.508 464 H TRP 14 H TRP 14 3.663 21.145 -11.100 465 HA TRP 14 HA TRP 14 3.311 20.414 -8.246 466 HB2 TRP 14 HB2 TRP 14 1.438 19.297 -10.218 467 HB3 TRP 14 HB3 TRP 14 1.187 19.887 -8.588 468 HD1 TRP 14 HD1 TRP 14 0.264 20.711 -11.933 469 HE1 TRP 14 HE1 TRP 14 -0.136 23.228 -12.333 470 HE3 TRP 14 HE3 TRP 14 2.163 22.564 -7.547 471 HZ2 TRP 14 HZ2 TRP 14 0.422 25.722 -10.987 472 HZ3 TRP 14 HZ3 TRP 14 2.216 25.014 -7.128 473 HH2 TRP 14 HH2 TRP 14 1.376 26.600 -8.848 474 H GLU 15 H GLU 15 4.286 19.064 -11.314 475 HA GLU 15 HA GLU 15 4.643 16.336 -10.779 476 HB2 GLU 15 HB2 GLU 15 5.077 17.299 -12.990 477 HB3 GLU 15 HB3 GLU 15 6.285 18.368 -12.316 478 HG2 GLU 15 HG2 GLU 15 7.418 16.757 -13.513 479 HG3 GLU 15 HG3 GLU 15 7.750 16.416 -11.834 480 H LYS 16 H LYS 16 6.865 19.049 -10.146 481 HA LYS 16 HA LYS 16 8.863 17.391 -8.864 482 HB2 LYS 16 HB2 LYS 16 9.967 19.433 -8.199 483 HB3 LYS 16 HB3 LYS 16 9.473 19.443 -9.888 484 HG2 LYS 16 HG2 LYS 16 8.783 21.497 -9.456 485 HG3 LYS 16 HG3 LYS 16 7.336 20.702 -8.849 486 HD2 LYS 16 HD2 LYS 16 8.238 20.785 -6.536 487 HD3 LYS 16 HD3 LYS 16 9.724 21.540 -7.118 488 HE2 LYS 16 HE2 LYS 16 6.939 22.734 -7.448 489 HE3 LYS 16 HE3 LYS 16 8.018 23.143 -6.118 490 HZ1 LYS 16 HZ1 LYS 16 8.008 24.618 -8.227 491 HZ2 LYS 16 HZ2 LYS 16 8.916 23.470 -8.912 492 HZ3 LYS 16 HZ3 LYS 16 9.477 24.231 -7.577 493 H LEU 17 H LEU 17 6.019 18.935 -7.534 494 HA LEU 17 HA LEU 17 6.729 18.609 -4.732 495 HB2 LEU 17 HB2 LEU 17 4.044 18.952 -6.116 496 HB3 LEU 17 HB3 LEU 17 4.261 19.034 -4.386 497 HG LEU 17 HG LEU 17 5.709 20.888 -6.306 498 HD11 LEU 17 HD11 LEU 17 3.307 21.632 -4.634 499 HD12 LEU 17 HD12 LEU 17 3.126 20.995 -6.286 500 HD13 LEU 17 HD13 LEU 17 4.046 22.484 -6.009 501 HD21 LEU 17 HD21 LEU 17 5.267 20.916 -3.307 502 HD22 LEU 17 HD22 LEU 17 5.908 22.292 -4.247 503 HD23 LEU 17 HD23 LEU 17 6.821 20.778 -4.157 504 H VAL 18 H VAL 18 4.632 16.673 -6.981 505 HA VAL 18 HA VAL 18 4.154 14.635 -4.974 506 HB VAL 18 HB VAL 18 2.679 14.885 -6.882 507 HG11 VAL 18 HG11 VAL 18 5.052 13.972 -8.550 508 HG12 VAL 18 HG12 VAL 18 3.361 13.843 -9.079 509 HG13 VAL 18 HG13 VAL 18 4.088 15.428 -8.700 510 HG21 VAL 18 HG21 VAL 18 2.768 12.728 -5.705 511 HG22 VAL 18 HG22 VAL 18 2.398 12.542 -7.432 512 HG23 VAL 18 HG23 VAL 18 4.009 12.134 -6.808 513 H ARG 19 H ARG 19 6.657 14.880 -7.531 514 HA ARG 19 HA ARG 19 7.856 12.312 -7.009 515 HB2 ARG 19 HB2 ARG 19 9.003 14.939 -8.008 516 HB3 ARG 19 HB3 ARG 19 9.874 13.396 -8.040 517 HG2 ARG 19 HG2 ARG 19 7.303 13.361 -9.537 518 HG3 ARG 19 HG3 ARG 19 8.443 14.586 -10.092 519 HD2 ARG 19 HD2 ARG 19 10.233 12.817 -10.178 520 HD3 ARG 19 HD3 ARG 19 8.940 11.608 -9.961 521 HE ARG 19 HE ARG 19 8.135 13.223 -12.112 522 HH11 ARG 19 HH11 ARG 19 10.979 11.244 -11.551 523 HH12 ARG 19 HH12 ARG 19 11.195 10.955 -13.255 524 HH21 ARG 19 HH21 ARG 19 8.444 12.898 -14.108 525 HH22 ARG 19 HH22 ARG 19 9.709 11.829 -14.734 526 H ASP 20 H ASP 20 8.530 15.555 -5.654 527 HA ASP 20 HA ASP 20 10.557 14.877 -3.793 528 HB2 ASP 20 HB2 ASP 20 8.425 16.977 -4.063 529 HB3 ASP 20 HB3 ASP 20 9.086 16.753 -2.463 530 H ALA 21 H ALA 21 6.943 14.700 -3.372 531 HA ALA 21 HA ALA 21 7.133 13.851 -0.653 532 HB1 ALA 21 HB1 ALA 21 5.084 14.700 -1.624 533 HB2 ALA 21 HB2 ALA 21 4.969 13.303 -2.726 534 HB3 ALA 21 HB3 ALA 21 4.806 13.075 -0.976 535 H MET 22 H MET 22 7.004 11.961 -3.694 536 HA MET 22 HA MET 22 7.032 9.413 -2.472 537 HB2 MET 22 HB2 MET 22 8.229 10.205 -5.145 538 HB3 MET 22 HB3 MET 22 7.915 8.568 -4.572 539 HG2 MET 22 HG2 MET 22 6.066 10.391 -5.915 540 HG3 MET 22 HG3 MET 22 6.073 8.714 -5.766 541 HE1 MET 22 HE1 MET 22 5.503 7.939 -2.576 542 HE2 MET 22 HE2 MET 22 3.858 7.635 -3.213 543 HE3 MET 22 HE3 MET 22 5.290 7.388 -4.250 544 H THR 23 H THR 23 9.835 11.471 -3.446 545 HA THR 23 HA THR 23 11.725 9.419 -2.537 546 HB THR 23 HB THR 23 13.474 10.946 -3.257 547 HG1 THR 23 HG1 THR 23 12.685 12.947 -2.877 548 HG21 THR 23 HG21 THR 23 11.238 10.725 -5.310 549 HG22 THR 23 HG22 THR 23 12.405 9.454 -4.908 550 HG23 THR 23 HG23 THR 23 12.964 10.970 -5.641 551 H SER 24 H SER 24 10.444 12.421 -1.117 552 HA SER 24 HA SER 24 12.533 12.434 0.917 553 HB2 SER 24 HB2 SER 24 11.486 14.477 -0.258 554 HB3 SER 24 HB3 SER 24 10.155 14.306 0.895 555 HG SER 24 HG SER 24 11.741 14.360 2.564 556 H GLY 25 H GLY 25 10.093 10.386 0.690 557 HA2 GLY 25 HA2 GLY 25 9.333 8.850 2.231 558 HA3 GLY 25 HA3 GLY 25 10.212 9.706 3.500 559 H VAL 26 H VAL 26 7.796 11.380 1.571 560 HA VAL 26 HA VAL 26 6.245 12.089 3.946 561 HB VAL 26 HB VAL 26 6.039 12.758 1.008 562 HG11 VAL 26 HG11 VAL 26 3.782 12.919 1.559 563 HG12 VAL 26 HG12 VAL 26 4.124 13.607 3.149 564 HG13 VAL 26 HG13 VAL 26 4.427 14.564 1.685 565 HG21 VAL 26 HG21 VAL 26 6.666 15.027 1.907 566 HG22 VAL 26 HG22 VAL 26 6.794 14.314 3.518 567 HG23 VAL 26 HG23 VAL 26 7.892 13.800 2.224 568 H SER 27 H SER 27 4.118 11.616 4.410 569 HA SER 27 HA SER 27 3.267 8.999 4.106 570 HB2 SER 27 HB2 SER 27 1.617 11.445 4.755 571 HB3 SER 27 HB3 SER 27 1.151 9.756 5.076 572 HG SER 27 HG SER 27 2.122 10.804 6.904 573 H LYS 28 H LYS 28 2.941 8.116 2.143 574 HA LYS 28 HA LYS 28 1.872 9.287 -0.157 575 HB2 LYS 28 HB2 LYS 28 1.631 6.993 -1.023 576 HB3 LYS 28 HB3 LYS 28 3.170 7.231 -0.199 577 HG2 LYS 28 HG2 LYS 28 2.257 6.093 1.833 578 HG3 LYS 28 HG3 LYS 28 0.736 5.807 0.986 579 HD2 LYS 28 HD2 LYS 28 3.441 4.711 0.113 580 HD3 LYS 28 HD3 LYS 28 2.241 3.840 1.079 581 HE2 LYS 28 HE2 LYS 28 0.572 4.206 -0.797 582 HE3 LYS 28 HE3 LYS 28 1.903 4.850 -1.772 583 HZ1 LYS 28 HZ1 LYS 28 1.569 2.479 -2.202 584 HZ2 LYS 28 HZ2 LYS 28 1.796 2.106 -0.629 585 HZ3 LYS 28 HZ3 LYS 28 3.038 2.697 -1.514 586 H LYS 29 H LYS 29 0.094 7.702 2.452 587 HA LYS 29 HA LYS 29 -2.504 7.702 1.232 588 HB2 LYS 29 HB2 LYS 29 -3.309 7.287 3.504 589 HB3 LYS 29 HB3 LYS 29 -1.919 6.280 3.095 590 HG2 LYS 29 HG2 LYS 29 -0.685 8.461 4.305 591 HG3 LYS 29 HG3 LYS 29 -2.213 8.413 5.170 592 HD2 LYS 29 HD2 LYS 29 -0.242 6.112 4.837 593 HD3 LYS 29 HD3 LYS 29 -0.417 7.117 6.286 594 HE2 LYS 29 HE2 LYS 29 -2.769 6.343 6.553 595 HE3 LYS 29 HE3 LYS 29 -2.597 5.316 5.124 596 HZ1 LYS 29 HZ1 LYS 29 -2.230 4.053 7.161 597 HZ2 LYS 29 HZ2 LYS 29 -1.011 5.033 7.623 598 HZ3 LYS 29 HZ3 LYS 29 -0.847 4.086 6.299 599 H GLN 30 H GLN 30 -0.770 10.253 2.959 600 HA GLN 30 HA GLN 30 -3.115 11.854 3.532 601 HB2 GLN 30 HB2 GLN 30 -0.158 12.550 3.320 602 HB3 GLN 30 HB3 GLN 30 -1.384 13.711 3.785 603 HG2 GLN 30 HG2 GLN 30 -0.710 11.136 5.290 604 HG3 GLN 30 HG3 GLN 30 -0.138 12.754 5.703 605 HE21 GLN 30 HE21 GLN 30 -3.140 10.732 5.499 606 HE22 GLN 30 HE22 GLN 30 -3.971 11.679 6.719 607 H PHE 31 H PHE 31 -1.019 11.573 0.709 608 HA PHE 31 HA PHE 31 -1.820 13.932 -0.704 609 HB2 PHE 31 HB2 PHE 31 -0.512 11.359 -1.342 610 HB3 PHE 31 HB3 PHE 31 -1.539 11.933 -2.633 611 HD1 PHE 31 HD1 PHE 31 -0.579 13.258 -4.265 612 HD2 PHE 31 HD2 PHE 31 1.029 13.375 -0.254 613 HE1 PHE 31 HE1 PHE 31 1.226 14.766 -5.020 614 HE2 PHE 31 HE2 PHE 31 2.781 14.925 -1.008 615 HZ PHE 31 HZ PHE 31 2.883 15.652 -3.397 616 H ARG 32 H ARG 32 -3.254 10.643 -0.861 617 HA ARG 32 HA ARG 32 -5.439 11.434 -2.532 618 HB2 ARG 32 HB2 ARG 32 -4.677 9.123 -2.431 619 HB3 ARG 32 HB3 ARG 32 -4.997 9.049 -0.701 620 HG2 ARG 32 HG2 ARG 32 -6.751 7.866 -1.910 621 HG3 ARG 32 HG3 ARG 32 -7.417 9.267 -1.105 622 HD2 ARG 32 HD2 ARG 32 -7.072 10.461 -3.459 623 HD3 ARG 32 HD3 ARG 32 -7.001 8.825 -4.081 624 HE ARG 32 HE ARG 32 -9.314 10.281 -2.966 625 HH11 ARG 32 HH11 ARG 32 -11.192 9.362 -2.626 626 HH12 ARG 32 HH12 ARG 32 -11.561 7.758 -3.252 627 HH21 ARG 32 HH21 ARG 32 -8.265 7.096 -4.043 628 HH22 ARG 32 HH22 ARG 32 -9.887 6.467 -3.968 629 H GLU 33 H GLU 33 -5.397 10.884 1.008 630 HA GLU 33 HA GLU 33 -8.169 11.587 1.290 631 HB2 GLU 33 HB2 GLU 33 -5.988 11.784 3.400 632 HB3 GLU 33 HB3 GLU 33 -7.734 11.782 3.678 633 HG2 GLU 33 HG2 GLU 33 -6.015 9.479 2.734 634 HG3 GLU 33 HG3 GLU 33 -6.926 9.611 4.233 635 H PHE 34 H PHE 34 -5.245 13.704 1.442 636 HA PHE 34 HA PHE 34 -6.755 16.058 2.168 637 HB2 PHE 34 HB2 PHE 34 -4.245 15.642 2.436 638 HB3 PHE 34 HB3 PHE 34 -4.092 16.050 0.729 639 HD1 PHE 34 HD1 PHE 34 -4.801 18.456 -0.002 640 HD2 PHE 34 HD2 PHE 34 -4.466 17.241 4.128 641 HE1 PHE 34 HE1 PHE 34 -4.877 20.804 0.704 642 HE2 PHE 34 HE2 PHE 34 -4.453 19.619 4.822 643 HZ PHE 34 HZ PHE 34 -4.663 21.413 3.116 644 H LEU 35 H LEU 35 -5.840 14.572 -0.967 645 HA LEU 35 HA LEU 35 -6.843 16.573 -2.707 646 HB2 LEU 35 HB2 LEU 35 -6.040 13.801 -2.921 647 HB3 LEU 35 HB3 LEU 35 -7.592 13.942 -3.691 648 HG LEU 35 HG LEU 35 -5.931 14.197 -5.336 649 HD11 LEU 35 HD11 LEU 35 -7.971 15.787 -5.303 650 HD12 LEU 35 HD12 LEU 35 -6.639 16.102 -6.408 651 HD13 LEU 35 HD13 LEU 35 -6.791 17.051 -4.912 652 HD21 LEU 35 HD21 LEU 35 -4.066 14.813 -3.881 653 HD22 LEU 35 HD22 LEU 35 -4.737 16.445 -3.691 654 HD23 LEU 35 HD23 LEU 35 -4.203 15.860 -5.292 655 H ASP 36 H ASP 36 -8.595 13.723 -1.337 656 HA ASP 36 HA ASP 36 -11.153 14.430 -2.337 657 HB2 ASP 36 HB2 ASP 36 -10.396 12.793 0.100 658 HB3 ASP 36 HB3 ASP 36 -12.042 12.971 -0.501 659 H TYR 37 H TYR 37 -9.668 15.275 0.831 660 HA TYR 37 HA TYR 37 -11.828 16.768 1.895 661 HB2 TYR 37 HB2 TYR 37 -10.168 16.363 3.422 662 HB3 TYR 37 HB3 TYR 37 -8.873 16.680 2.283 663 HD1 TYR 37 HD1 TYR 37 -7.467 18.224 3.320 664 HD2 TYR 37 HD2 TYR 37 -11.727 18.916 3.337 665 HE1 TYR 37 HE1 TYR 37 -7.098 20.548 4.139 666 HE2 TYR 37 HE2 TYR 37 -11.337 21.260 4.024 667 HH TYR 37 HH TYR 37 -9.785 22.898 4.376 668 H GLN 38 H GLN 38 -9.056 18.116 -0.082 669 HA GLN 38 HA GLN 38 -10.330 20.695 -0.210 670 HB2 GLN 38 HB2 GLN 38 -8.169 19.471 -1.961 671 HB3 GLN 38 HB3 GLN 38 -8.751 21.120 -2.141 672 HG2 GLN 38 HG2 GLN 38 -7.416 19.975 0.334 673 HG3 GLN 38 HG3 GLN 38 -6.676 21.053 -0.859 674 HE21 GLN 38 HE21 GLN 38 -6.833 21.569 1.963 675 HE22 GLN 38 HE22 GLN 38 -7.826 23.000 2.156 676 H LYS 39 H LYS 39 -10.552 17.902 -2.446 677 HA LYS 39 HA LYS 39 -12.015 19.113 -4.565 678 HB2 LYS 39 HB2 LYS 39 -11.848 16.352 -3.339 679 HB3 LYS 39 HB3 LYS 39 -13.091 16.661 -4.531 680 HG2 LYS 39 HG2 LYS 39 -11.613 16.988 -6.262 681 HG3 LYS 39 HG3 LYS 39 -10.199 17.284 -5.215 682 HD2 LYS 39 HD2 LYS 39 -10.034 14.974 -4.669 683 HD3 LYS 39 HD3 LYS 39 -11.685 14.624 -5.214 684 HE2 LYS 39 HE2 LYS 39 -11.040 15.024 -7.552 685 HE3 LYS 39 HE3 LYS 39 -9.405 15.446 -7.063 686 HZ1 LYS 39 HZ1 LYS 39 -9.212 13.141 -6.143 687 HZ2 LYS 39 HZ2 LYS 39 -9.516 13.087 -7.748 688 HZ3 LYS 39 HZ3 LYS 39 -10.710 12.786 -6.677 689 H TRP 40 H TRP 40 -13.269 17.581 -1.568 690 HA TRP 40 HA TRP 40 -15.988 18.422 -2.151 691 HB2 TRP 40 HB2 TRP 40 -14.631 16.709 -0.153 692 HB3 TRP 40 HB3 TRP 40 -16.126 17.460 0.357 693 HD1 TRP 40 HD1 TRP 40 -18.309 16.467 -0.371 694 HE1 TRP 40 HE1 TRP 40 -19.064 14.507 -1.817 695 HE3 TRP 40 HE3 TRP 40 -13.845 15.344 -2.606 696 HZ2 TRP 40 HZ2 TRP 40 -17.917 12.752 -3.800 697 HZ3 TRP 40 HZ3 TRP 40 -13.712 13.534 -4.304 698 HH2 TRP 40 HH2 TRP 40 -15.741 12.235 -4.912 699 H ARG 41 H ARG 41 -13.480 20.248 -0.720 700 HA ARG 41 HA ARG 41 -15.484 22.098 0.530 701 HB2 ARG 41 HB2 ARG 41 -12.545 21.569 0.841 702 HB3 ARG 41 HB3 ARG 41 -13.004 23.244 0.846 703 HG2 ARG 41 HG2 ARG 41 -12.947 22.508 3.103 704 HG3 ARG 41 HG3 ARG 41 -14.602 22.865 2.707 705 HD2 ARG 41 HD2 ARG 41 -13.793 19.986 2.268 706 HD3 ARG 41 HD3 ARG 41 -13.712 20.542 3.908 707 HE ARG 41 HE ARG 41 -16.188 20.456 2.214 708 HH11 ARG 41 HH11 ARG 41 -18.112 20.012 3.346 709 HH12 ARG 41 HH12 ARG 41 -18.005 19.746 5.071 710 HH21 ARG 41 HH21 ARG 41 -14.906 20.984 5.431 711 HH22 ARG 41 HH22 ARG 41 -16.243 20.142 6.206 712 H LYS 42 H LYS 42 -12.942 22.067 -1.955 713 HA LYS 42 HA LYS 42 -13.485 24.763 -2.925 714 HB2 LYS 42 HB2 LYS 42 -11.798 22.482 -4.073 715 HB3 LYS 42 HB3 LYS 42 -11.815 24.134 -4.674 716 HG2 LYS 42 HG2 LYS 42 -10.792 23.217 -1.954 717 HG3 LYS 42 HG3 LYS 42 -9.853 23.733 -3.342 718 HD2 LYS 42 HD2 LYS 42 -9.764 25.659 -2.160 719 HD3 LYS 42 HD3 LYS 42 -11.238 25.997 -3.069 720 HE2 LYS 42 HE2 LYS 42 -12.572 25.158 -1.095 721 HE3 LYS 42 HE3 LYS 42 -11.058 24.851 -0.234 722 HZ1 LYS 42 HZ1 LYS 42 -10.577 27.237 -0.368 723 HZ2 LYS 42 HZ2 LYS 42 -12.007 27.003 0.383 724 HZ3 LYS 42 HZ3 LYS 42 -11.975 27.525 -1.163 725 H SER 43 H SER 43 -14.117 21.502 -4.305 726 HA SER 43 HA SER 43 -15.808 22.776 -6.413 727 HB2 SER 43 HB2 SER 43 -14.008 21.208 -7.090 728 HB3 SER 43 HB3 SER 43 -14.812 19.920 -6.184 729 HG SER 43 HG SER 43 -15.748 21.327 -8.472 730 H GLN 44 H GLN 44 -15.990 20.587 -3.643 731 HA GLN 44 HA GLN 44 -17.693 19.775 -2.423 732 HB2 GLN 44 HB2 GLN 44 -18.134 22.388 -2.525 733 HB3 GLN 44 HB3 GLN 44 -19.609 21.897 -3.333 734 HG2 GLN 44 HG2 GLN 44 -18.662 21.292 -0.518 735 HG3 GLN 44 HG3 GLN 44 -20.103 22.143 -1.007 736 HE21 GLN 44 HE21 GLN 44 -18.673 19.009 -0.415 737 HE22 GLN 44 HE22 GLN 44 -20.162 18.069 -0.561 738 H LYS 45 H LYS 45 -17.324 18.218 -4.369 739 HA LYS 45 HA LYS 45 -19.133 18.053 -6.493 740 HB2 LYS 45 HB2 LYS 45 -17.185 16.093 -5.234 741 HB3 LYS 45 HB3 LYS 45 -18.082 15.708 -6.709 742 HG2 LYS 45 HG2 LYS 45 -17.058 17.367 -7.992 743 HG3 LYS 45 HG3 LYS 45 -16.605 18.328 -6.592 744 HD2 LYS 45 HD2 LYS 45 -14.640 17.329 -7.605 745 HD3 LYS 45 HD3 LYS 45 -14.895 16.820 -5.939 746 HE2 LYS 45 HE2 LYS 45 -14.081 15.004 -7.401 747 HE3 LYS 45 HE3 LYS 45 -15.619 14.614 -6.620 748 HZ1 LYS 45 HZ1 LYS 45 -16.764 14.895 -8.665 749 HZ2 LYS 45 HZ2 LYS 45 -15.434 14.070 -9.066 750 HZ3 LYS 45 HZ3 LYS 45 -15.499 15.668 -9.394 751 H GLU 46 H GLU 46 -19.585 16.608 -3.347 752 HA GLU 46 HA GLU 46 -21.158 15.183 -2.493 753 HB2 GLU 46 HB2 GLU 46 -23.398 16.023 -2.655 754 HB3 GLU 46 HB3 GLU 46 -22.224 17.310 -2.420 755 HG2 GLU 46 HG2 GLU 46 -22.454 18.098 -4.659 756 HG3 GLU 46 HG3 GLU 46 -23.321 16.647 -5.171 757 H GLU 47 H GLU 47 -19.987 13.823 -4.578 758 HA GLU 47 HA GLU 47 -21.622 12.728 -6.570 759 HB2 GLU 47 HB2 GLU 47 -19.323 11.356 -5.146 760 HB3 GLU 47 HB3 GLU 47 -19.967 10.904 -6.712 761 HG2 GLU 47 HG2 GLU 47 -18.616 13.565 -6.082 762 HG3 GLU 47 HG3 GLU 47 -17.811 12.165 -6.758 763 H1 GLY 1 H1 GLY 1 -17.209 -5.291 21.460 764 H2 GLY 1 H2 GLY 1 -16.321 -5.189 22.833 765 H3 GLY 1 H3 GLY 1 -15.643 -5.775 21.463 766 HA2 GLY 1 HA2 GLY 1 -15.860 -3.639 20.365 767 HA3 GLY 1 HA3 GLY 1 -16.571 -3.006 21.860 768 H SER 2 H SER 2 -14.929 -1.442 22.086 769 HA SER 2 HA SER 2 -12.503 -2.358 23.448 770 HB2 SER 2 HB2 SER 2 -11.865 -2.353 21.027 771 HB3 SER 2 HB3 SER 2 -12.264 -0.627 20.959 772 HG SER 2 HG SER 2 -10.018 -1.044 21.340 773 H HIS 3 H HIS 3 -11.267 -0.465 24.336 774 HA HIS 3 HA HIS 3 -13.059 1.238 25.814 775 HB2 HIS 3 HB2 HIS 3 -10.031 1.365 25.573 776 HB3 HIS 3 HB3 HIS 3 -11.014 2.146 26.810 777 HD1 HIS 3 HD1 HIS 3 -12.486 0.238 28.396 778 HD2 HIS 3 HD2 HIS 3 -9.173 -1.043 26.136 779 HE1 HIS 3 HE1 HIS 3 -11.820 -2.036 29.333 780 H MET 4 H MET 4 -13.604 3.288 25.632 781 HA MET 4 HA MET 4 -13.227 4.706 23.110 782 HB2 MET 4 HB2 MET 4 -14.905 6.255 24.042 783 HB3 MET 4 HB3 MET 4 -15.416 4.568 24.099 784 HG2 MET 4 HG2 MET 4 -14.634 4.520 26.526 785 HG3 MET 4 HG3 MET 4 -14.443 6.266 26.428 786 HE1 MET 4 HE1 MET 4 -16.244 4.104 28.270 787 HE2 MET 4 HE2 MET 4 -16.000 5.807 28.723 788 HE3 MET 4 HE3 MET 4 -17.647 5.139 28.635 789 H GLU 5 H GLU 5 -12.567 6.870 22.880 790 HA GLU 5 HA GLU 5 -10.170 7.580 24.420 791 HB2 GLU 5 HB2 GLU 5 -11.496 8.758 21.946 792 HB3 GLU 5 HB3 GLU 5 -9.967 9.329 22.598 793 HG2 GLU 5 HG2 GLU 5 -10.498 6.527 21.527 794 HG3 GLU 5 HG3 GLU 5 -9.657 7.822 20.685 795 H TYR 6 H TYR 6 -13.280 8.222 25.236 796 HA TYR 6 HA TYR 6 -12.765 10.930 26.306 797 HB2 TYR 6 HB2 TYR 6 -13.557 11.011 23.848 798 HB3 TYR 6 HB3 TYR 6 -15.091 10.388 24.425 799 HD1 TYR 6 HD1 TYR 6 -16.739 11.958 25.194 800 HD2 TYR 6 HD2 TYR 6 -12.593 13.118 24.953 801 HE1 TYR 6 HE1 TYR 6 -17.355 14.337 25.662 802 HE2 TYR 6 HE2 TYR 6 -13.219 15.499 25.127 803 HH TYR 6 HH TYR 6 -14.938 16.877 26.076 804 H ASP 7 H ASP 7 -14.213 11.622 27.857 805 HA ASP 7 HA ASP 7 -16.080 9.604 29.026 806 HB2 ASP 7 HB2 ASP 7 -13.838 11.058 30.463 807 HB3 ASP 7 HB3 ASP 7 -15.035 10.012 31.231 808 H GLY 8 H GLY 8 -16.684 12.112 27.575 809 HA2 GLY 8 HA2 GLY 8 -18.274 13.798 27.760 810 HA3 GLY 8 HA3 GLY 8 -18.596 13.304 29.422 811 H GLN 9 H GLN 9 -15.346 14.087 28.437 812 HA GLN 9 HA GLN 9 -15.291 16.738 29.781 813 HB2 GLN 9 HB2 GLN 9 -15.069 15.107 31.558 814 HB3 GLN 9 HB3 GLN 9 -13.910 14.158 30.654 815 HG2 GLN 9 HG2 GLN 9 -12.985 16.947 31.048 816 HG3 GLN 9 HG3 GLN 9 -13.387 16.162 32.564 817 HE21 GLN 9 HE21 GLN 9 -10.373 14.221 30.483 818 HE22 GLN 9 HE22 GLN 9 -11.872 14.602 29.632 819 H LEU 10 H LEU 10 -14.056 18.063 28.454 820 HA LEU 10 HA LEU 10 -12.209 16.876 26.545 821 HB2 LEU 10 HB2 LEU 10 -13.542 19.099 26.269 822 HB3 LEU 10 HB3 LEU 10 -12.242 19.834 27.204 823 HG LEU 10 HG LEU 10 -12.075 20.088 24.768 824 HD11 LEU 10 HD11 LEU 10 -9.852 19.817 24.524 825 HD12 LEU 10 HD12 LEU 10 -9.736 18.355 25.533 826 HD13 LEU 10 HD13 LEU 10 -10.029 19.936 26.284 827 HD21 LEU 10 HD21 LEU 10 -12.955 17.506 24.623 828 HD22 LEU 10 HD22 LEU 10 -11.248 17.315 24.188 829 HD23 LEU 10 HD23 LEU 10 -12.342 18.423 23.318 830 H ASP 11 H ASP 11 -10.204 16.461 26.721 831 HA ASP 11 HA ASP 11 -9.467 16.049 29.416 832 HB2 ASP 11 HB2 ASP 11 -9.553 14.509 27.228 833 HB3 ASP 11 HB3 ASP 11 -7.962 15.093 26.947 834 H SER 12 H SER 12 -8.908 18.646 28.475 835 HA SER 12 HA SER 12 -7.625 20.333 28.798 836 HB2 SER 12 HB2 SER 12 -7.526 19.601 31.033 837 HB3 SER 12 HB3 SER 12 -6.085 18.610 30.718 838 HG SER 12 HG SER 12 -4.886 20.463 30.429 839 H GLU 13 H GLU 13 -5.796 17.520 27.976 840 HA GLU 13 HA GLU 13 -3.442 18.730 26.864 841 HB2 GLU 13 HB2 GLU 13 -4.913 16.101 26.466 842 HB3 GLU 13 HB3 GLU 13 -3.377 16.435 25.661 843 HG2 GLU 13 HG2 GLU 13 -3.734 16.493 28.692 844 HG3 GLU 13 HG3 GLU 13 -3.277 15.054 27.789 845 H TRP 14 H TRP 14 -6.654 18.164 25.577 846 HA TRP 14 HA TRP 14 -5.827 19.052 22.897 847 HB2 TRP 14 HB2 TRP 14 -8.629 18.313 23.522 848 HB3 TRP 14 HB3 TRP 14 -7.675 18.072 22.057 849 HD1 TRP 14 HD1 TRP 14 -9.275 16.094 24.476 850 HE1 TRP 14 HE1 TRP 14 -8.127 13.848 24.979 851 HE3 TRP 14 HE3 TRP 14 -4.803 16.906 22.135 852 HZ2 TRP 14 HZ2 TRP 14 -5.547 12.639 24.583 853 HZ3 TRP 14 HZ3 TRP 14 -3.023 15.176 22.175 854 HH2 TRP 14 HH2 TRP 14 -3.365 13.053 23.417 855 H GLU 15 H GLU 15 -7.645 20.255 25.631 856 HA GLU 15 HA GLU 15 -8.827 22.635 24.595 857 HB2 GLU 15 HB2 GLU 15 -9.491 22.017 26.750 858 HB3 GLU 15 HB3 GLU 15 -7.845 21.689 27.285 859 HG2 GLU 15 HG2 GLU 15 -7.336 24.080 27.364 860 HG3 GLU 15 HG3 GLU 15 -8.982 24.460 26.827 861 H LYS 16 H LYS 16 -5.618 22.024 26.020 862 HA LYS 16 HA LYS 16 -4.688 24.715 25.692 863 HB2 LYS 16 HB2 LYS 16 -2.498 23.884 26.262 864 HB3 LYS 16 HB3 LYS 16 -3.738 23.194 27.295 865 HG2 LYS 16 HG2 LYS 16 -2.633 21.283 26.948 866 HG3 LYS 16 HG3 LYS 16 -3.631 21.212 25.505 867 HD2 LYS 16 HD2 LYS 16 -1.782 22.275 24.184 868 HD3 LYS 16 HD3 LYS 16 -0.787 22.364 25.627 869 HE2 LYS 16 HE2 LYS 16 -1.781 19.752 24.395 870 HE3 LYS 16 HE3 LYS 16 -0.253 20.528 23.992 871 HZ1 LYS 16 HZ1 LYS 16 0.249 20.378 26.476 872 HZ2 LYS 16 HZ2 LYS 16 0.280 18.983 25.633 873 HZ3 LYS 16 HZ3 LYS 16 -0.980 19.280 26.578 874 H LEU 17 H LEU 17 -4.717 22.047 23.417 875 HA LEU 17 HA LEU 17 -2.972 23.262 21.437 876 HB2 LEU 17 HB2 LEU 17 -5.108 21.110 21.184 877 HB3 LEU 17 HB3 LEU 17 -3.973 21.501 19.922 878 HG LEU 17 HG LEU 17 -3.058 20.583 22.668 879 HD11 LEU 17 HD11 LEU 17 -3.164 18.792 20.242 880 HD12 LEU 17 HD12 LEU 17 -4.593 18.949 21.296 881 HD13 LEU 17 HD13 LEU 17 -3.050 18.376 21.960 882 HD21 LEU 17 HD21 LEU 17 -1.029 19.942 21.424 883 HD22 LEU 17 HD22 LEU 17 -1.332 21.690 21.334 884 HD23 LEU 17 HD23 LEU 17 -1.752 20.645 19.954 885 H VAL 18 H VAL 18 -6.577 22.973 21.661 886 HA VAL 18 HA VAL 18 -6.985 24.584 19.297 887 HB VAL 18 HB VAL 18 -8.709 23.120 20.080 888 HG11 VAL 18 HG11 VAL 18 -8.437 23.220 22.469 889 HG12 VAL 18 HG12 VAL 18 -8.886 24.917 22.515 890 HG13 VAL 18 HG13 VAL 18 -10.100 23.693 22.071 891 HG21 VAL 18 HG21 VAL 18 -9.365 25.188 18.826 892 HG22 VAL 18 HG22 VAL 18 -10.624 24.535 19.902 893 HG23 VAL 18 HG23 VAL 18 -9.706 25.972 20.386 894 H ARG 19 H ARG 19 -6.903 25.572 22.757 895 HA ARG 19 HA ARG 19 -7.272 28.345 22.328 896 HB2 ARG 19 HB2 ARG 19 -7.395 26.940 24.456 897 HB3 ARG 19 HB3 ARG 19 -5.627 27.003 24.520 898 HG2 ARG 19 HG2 ARG 19 -5.706 29.442 24.784 899 HG3 ARG 19 HG3 ARG 19 -7.444 29.434 24.407 900 HD2 ARG 19 HD2 ARG 19 -7.078 29.738 26.792 901 HD3 ARG 19 HD3 ARG 19 -8.015 28.297 26.403 902 HE ARG 19 HE ARG 19 -5.087 27.964 26.842 903 HH11 ARG 19 HH11 ARG 19 -7.787 26.123 29.143 904 HH12 ARG 19 HH12 ARG 19 -8.226 27.653 28.384 905 HH21 ARG 19 HH21 ARG 19 -4.525 26.200 28.139 906 HH22 ARG 19 HH22 ARG 19 -5.747 25.483 29.158 907 H ASP 20 H ASP 20 -4.211 26.498 22.403 908 HA ASP 20 HA ASP 20 -2.401 28.611 21.861 909 HB2 ASP 20 HB2 ASP 20 -2.566 25.646 21.400 910 HB3 ASP 20 HB3 ASP 20 -1.295 26.517 20.559 911 H ALA 21 H ALA 21 -4.332 26.639 19.513 912 HA ALA 21 HA ALA 21 -3.242 27.936 17.185 913 HB1 ALA 21 HB1 ALA 21 -4.465 25.842 17.041 914 HB2 ALA 21 HB2 ALA 21 -5.954 26.613 17.627 915 HB3 ALA 21 HB3 ALA 21 -5.272 27.070 16.061 916 H MET 22 H MET 22 -6.210 28.650 19.111 917 HA MET 22 HA MET 22 -7.052 30.883 17.625 918 HB2 MET 22 HB2 MET 22 -7.325 30.502 20.606 919 HB3 MET 22 HB3 MET 22 -8.209 31.642 19.597 920 HG2 MET 22 HG2 MET 22 -8.758 28.811 20.082 921 HG3 MET 22 HG3 MET 22 -9.787 30.087 19.631 922 HE1 MET 22 HE1 MET 22 -10.532 30.049 16.194 923 HE2 MET 22 HE2 MET 22 -10.319 30.968 17.697 924 HE3 MET 22 HE3 MET 22 -9.039 31.003 16.465 925 H THR 23 H THR 23 -4.664 30.818 20.346 926 HA THR 23 HA THR 23 -4.295 33.701 20.259 927 HB THR 23 HB THR 23 -2.486 33.347 21.879 928 HG1 THR 23 HG1 THR 23 -1.672 31.373 21.331 929 HG21 THR 23 HG21 THR 23 -3.866 32.476 23.704 930 HG22 THR 23 HG22 THR 23 -5.038 31.829 22.537 931 HG23 THR 23 HG23 THR 23 -4.790 33.581 22.669 932 H SER 24 H SER 24 -2.490 31.003 18.753 933 HA SER 24 HA SER 24 -0.329 32.807 17.980 934 HB2 SER 24 HB2 SER 24 -0.149 30.315 18.479 935 HB3 SER 24 HB3 SER 24 -0.715 30.066 16.805 936 HG SER 24 HG SER 24 0.984 31.390 16.108 937 H GLY 25 H GLY 25 -3.360 32.873 16.827 938 HA2 GLY 25 HA2 GLY 25 -4.243 33.947 14.982 939 HA3 GLY 25 HA3 GLY 25 -2.608 34.253 14.387 940 H VAL 26 H VAL 26 -3.576 30.964 15.058 941 HA VAL 26 HA VAL 26 -3.195 30.031 12.330 942 HB VAL 26 HB VAL 26 -4.187 28.793 14.883 943 HG11 VAL 26 HG11 VAL 26 -3.844 26.562 13.727 944 HG12 VAL 26 HG12 VAL 26 -5.382 27.426 13.516 945 HG13 VAL 26 HG13 VAL 26 -4.179 27.470 12.231 946 HG21 VAL 26 HG21 VAL 26 -1.665 28.454 13.217 947 HG22 VAL 26 HG22 VAL 26 -1.789 29.286 14.775 948 HG23 VAL 26 HG23 VAL 26 -2.035 27.541 14.690 949 H SER 27 H SER 27 -4.704 29.354 10.842 950 HA SER 27 HA SER 27 -7.004 30.901 10.540 951 HB2 SER 27 HB2 SER 27 -6.281 28.269 9.251 952 HB3 SER 27 HB3 SER 27 -7.587 29.331 8.688 953 HG SER 27 HG SER 27 -6.065 30.917 8.228 954 H LYS 28 H LYS 28 -8.736 30.895 11.830 955 HA LYS 28 HA LYS 28 -9.542 28.794 13.493 956 HB2 LYS 28 HB2 LYS 28 -11.513 30.114 13.989 957 HB3 LYS 28 HB3 LYS 28 -10.082 31.136 13.886 958 HG2 LYS 28 HG2 LYS 28 -10.791 31.812 11.555 959 HG3 LYS 28 HG3 LYS 28 -12.275 30.864 11.780 960 HD2 LYS 28 HD2 LYS 28 -12.888 32.290 13.725 961 HD3 LYS 28 HD3 LYS 28 -11.370 33.171 13.558 962 HE2 LYS 28 HE2 LYS 28 -13.036 34.547 12.589 963 HE3 LYS 28 HE3 LYS 28 -12.068 33.904 11.263 964 HZ1 LYS 28 HZ1 LYS 28 -14.449 33.789 10.787 965 HZ2 LYS 28 HZ2 LYS 28 -14.733 32.874 12.103 966 HZ3 LYS 28 HZ3 LYS 28 -13.854 32.274 10.857 967 H LYS 29 H LYS 29 -10.538 29.302 10.121 968 HA LYS 29 HA LYS 29 -12.691 27.364 10.160 969 HB2 LYS 29 HB2 LYS 29 -12.609 27.575 7.765 970 HB3 LYS 29 HB3 LYS 29 -12.512 29.178 8.507 971 HG2 LYS 29 HG2 LYS 29 -9.824 28.459 8.188 972 HG3 LYS 29 HG3 LYS 29 -10.593 27.659 6.824 973 HD2 LYS 29 HD2 LYS 29 -10.788 30.615 7.561 974 HD3 LYS 29 HD3 LYS 29 -9.731 29.949 6.304 975 HE2 LYS 29 HE2 LYS 29 -11.719 29.124 5.051 976 HE3 LYS 29 HE3 LYS 29 -12.785 29.810 6.283 977 HZ1 LYS 29 HZ1 LYS 29 -12.546 31.311 4.392 978 HZ2 LYS 29 HZ2 LYS 29 -10.927 31.383 4.574 979 HZ3 LYS 29 HZ3 LYS 29 -11.909 32.018 5.716 980 H GLN 30 H GLN 30 -9.177 27.118 9.753 981 HA GLN 30 HA GLN 30 -9.235 24.563 8.455 982 HB2 GLN 30 HB2 GLN 30 -7.086 25.896 10.149 983 HB3 GLN 30 HB3 GLN 30 -6.905 24.330 9.376 984 HG2 GLN 30 HG2 GLN 30 -7.453 26.874 7.840 985 HG3 GLN 30 HG3 GLN 30 -5.840 26.182 8.197 986 HE21 GLN 30 HE21 GLN 30 -8.922 25.464 6.396 987 HE22 GLN 30 HE22 GLN 30 -8.138 24.268 5.370 988 H PHE 31 H PHE 31 -9.427 25.468 11.891 989 HA PHE 31 HA PHE 31 -9.040 22.787 12.928 990 HB2 PHE 31 HB2 PHE 31 -10.017 25.394 13.934 991 HB3 PHE 31 HB3 PHE 31 -10.771 23.987 14.677 992 HD1 PHE 31 HD1 PHE 31 -9.735 22.929 16.455 993 HD2 PHE 31 HD2 PHE 31 -7.292 25.115 13.652 994 HE1 PHE 31 HE1 PHE 31 -7.706 22.530 17.860 995 HE2 PHE 31 HE2 PHE 31 -5.274 24.572 14.980 996 HZ PHE 31 HZ PHE 31 -5.492 23.265 17.105 997 H ARG 32 H ARG 32 -12.038 24.402 11.788 998 HA ARG 32 HA ARG 32 -13.664 22.029 12.134 999 HB2 ARG 32 HB2 ARG 32 -14.716 24.220 11.971 1000 HB3 ARG 32 HB3 ARG 32 -13.978 24.513 10.402 1001 HG2 ARG 32 HG2 ARG 32 -16.298 23.956 10.094 1002 HG3 ARG 32 HG3 ARG 32 -15.297 22.719 9.377 1003 HD2 ARG 32 HD2 ARG 32 -15.633 21.378 11.578 1004 HD3 ARG 32 HD3 ARG 32 -16.921 22.516 11.955 1005 HE ARG 32 HE ARG 32 -16.864 20.355 9.975 1006 HH11 ARG 32 HH11 ARG 32 -18.712 23.223 10.843 1007 HH12 ARG 32 HH12 ARG 32 -19.993 22.805 9.738 1008 HH21 ARG 32 HH21 ARG 32 -19.818 20.977 8.457 1009 HH22 ARG 32 HH22 ARG 32 -18.306 20.073 8.472 1010 H GLU 33 H GLU 33 -11.977 23.343 9.296 1011 HA GLU 33 HA GLU 33 -12.799 21.239 7.559 1012 HB2 GLU 33 HB2 GLU 33 -10.266 22.913 7.347 1013 HB3 GLU 33 HB3 GLU 33 -10.997 21.936 6.092 1014 HG2 GLU 33 HG2 GLU 33 -11.957 24.556 7.171 1015 HG3 GLU 33 HG3 GLU 33 -11.584 24.111 5.520 1016 H PHE 34 H PHE 34 -9.856 21.391 9.587 1017 HA PHE 34 HA PHE 34 -8.784 18.858 8.796 1018 HB2 PHE 34 HB2 PHE 34 -7.220 20.194 9.824 1019 HB3 PHE 34 HB3 PHE 34 -8.362 20.792 11.012 1020 HD1 PHE 34 HD1 PHE 34 -6.887 17.371 10.249 1021 HD2 PHE 34 HD2 PHE 34 -7.943 20.393 13.155 1022 HE1 PHE 34 HE1 PHE 34 -6.255 15.856 12.078 1023 HE2 PHE 34 HE2 PHE 34 -7.193 18.917 14.958 1024 HZ PHE 34 HZ PHE 34 -6.407 16.595 14.444 1025 H LEU 35 H LEU 35 -11.055 19.829 11.432 1026 HA LEU 35 HA LEU 35 -11.444 17.261 12.532 1027 HB2 LEU 35 HB2 LEU 35 -12.744 19.853 12.702 1028 HB3 LEU 35 HB3 LEU 35 -13.990 18.666 12.407 1029 HG LEU 35 HG LEU 35 -13.727 19.022 14.755 1030 HD11 LEU 35 HD11 LEU 35 -14.077 16.655 13.823 1031 HD12 LEU 35 HD12 LEU 35 -13.617 16.842 15.512 1032 HD13 LEU 35 HD13 LEU 35 -12.400 16.347 14.315 1033 HD21 LEU 35 HD21 LEU 35 -10.811 18.218 14.484 1034 HD22 LEU 35 HD22 LEU 35 -11.685 18.706 15.958 1035 HD23 LEU 35 HD23 LEU 35 -11.409 19.877 14.674 1036 H ASP 36 H ASP 36 -13.337 18.788 9.870 1037 HA ASP 36 HA ASP 36 -14.840 16.460 9.217 1038 HB2 ASP 36 HB2 ASP 36 -14.093 18.877 7.560 1039 HB3 ASP 36 HB3 ASP 36 -15.107 17.569 6.958 1040 H TYR 37 H TYR 37 -11.695 17.567 7.889 1041 HA TYR 37 HA TYR 37 -11.305 15.637 5.891 1042 HB2 TYR 37 HB2 TYR 37 -9.946 17.569 6.000 1043 HB3 TYR 37 HB3 TYR 37 -9.525 17.265 7.670 1044 HD1 TYR 37 HD1 TYR 37 -9.168 14.753 4.894 1045 HD2 TYR 37 HD2 TYR 37 -7.221 17.530 7.569 1046 HE1 TYR 37 HE1 TYR 37 -6.956 13.854 4.250 1047 HE2 TYR 37 HE2 TYR 37 -5.002 16.617 6.896 1048 HH TYR 37 HH TYR 37 -4.696 14.000 4.468 1049 H GLN 38 H GLN 38 -10.302 15.358 9.391 1050 HA GLN 38 HA GLN 38 -9.466 12.575 8.939 1051 HB2 GLN 38 HB2 GLN 38 -9.980 14.066 11.536 1052 HB3 GLN 38 HB3 GLN 38 -9.303 12.440 11.396 1053 HG2 GLN 38 HG2 GLN 38 -8.038 15.028 10.446 1054 HG3 GLN 38 HG3 GLN 38 -7.490 13.973 11.755 1055 HE21 GLN 38 HE21 GLN 38 -6.204 14.924 9.087 1056 HE22 GLN 38 HE22 GLN 38 -5.609 13.416 8.430 1057 H LYS 39 H LYS 39 -12.434 14.105 10.284 1058 HA LYS 39 HA LYS 39 -13.839 11.744 11.018 1059 HB2 LYS 39 HB2 LYS 39 -14.647 14.464 9.985 1060 HB3 LYS 39 HB3 LYS 39 -15.860 13.223 10.150 1061 HG2 LYS 39 HG2 LYS 39 -15.641 13.061 12.459 1062 HG3 LYS 39 HG3 LYS 39 -14.146 13.995 12.571 1063 HD2 LYS 39 HD2 LYS 39 -15.293 16.025 11.941 1064 HD3 LYS 39 HD3 LYS 39 -16.731 15.145 11.406 1065 HE2 LYS 39 HE2 LYS 39 -17.199 14.470 13.752 1066 HE3 LYS 39 HE3 LYS 39 -15.792 15.386 14.295 1067 HZ1 LYS 39 HZ1 LYS 39 -18.183 16.524 12.921 1068 HZ2 LYS 39 HZ2 LYS 39 -16.867 17.398 13.314 1069 HZ3 LYS 39 HZ3 LYS 39 -17.804 16.767 14.489 1070 H TRP 40 H TRP 40 -13.410 13.153 7.796 1071 HA TRP 40 HA TRP 40 -15.098 11.689 6.189 1072 HB2 TRP 40 HB2 TRP 40 -13.084 13.528 5.808 1073 HB3 TRP 40 HB3 TRP 40 -12.380 12.137 5.053 1074 HD1 TRP 40 HD1 TRP 40 -13.871 11.073 2.991 1075 HE1 TRP 40 HE1 TRP 40 -15.509 12.164 1.338 1076 HE3 TRP 40 HE3 TRP 40 -14.537 15.606 5.332 1077 HZ2 TRP 40 HZ2 TRP 40 -16.959 14.627 1.105 1078 HZ3 TRP 40 HZ3 TRP 40 -16.085 17.280 4.386 1079 HH2 TRP 40 HH2 TRP 40 -17.317 16.810 2.286 1080 H ARG 41 H ARG 41 -12.299 10.383 7.761 1081 HA ARG 41 HA ARG 41 -12.657 7.810 6.296 1082 HB2 ARG 41 HB2 ARG 41 -10.615 9.271 5.670 1083 HB3 ARG 41 HB3 ARG 41 -10.017 8.963 7.295 1084 HG2 ARG 41 HG2 ARG 41 -8.988 7.443 5.698 1085 HG3 ARG 41 HG3 ARG 41 -9.985 6.537 6.837 1086 HD2 ARG 41 HD2 ARG 41 -10.220 5.693 4.521 1087 HD3 ARG 41 HD3 ARG 41 -11.754 6.285 5.162 1088 HE ARG 41 HE ARG 41 -10.137 8.209 3.569 1089 HH11 ARG 41 HH11 ARG 41 -12.866 6.001 3.344 1090 HH12 ARG 41 HH12 ARG 41 -13.477 6.835 1.940 1091 HH21 ARG 41 HH21 ARG 41 -10.859 9.107 1.916 1092 HH22 ARG 41 HH22 ARG 41 -12.337 8.600 1.094 1093 H LYS 42 H LYS 42 -11.678 9.344 9.357 1094 HA LYS 42 HA LYS 42 -11.545 6.873 10.892 1095 HB2 LYS 42 HB2 LYS 42 -11.952 9.748 11.816 1096 HB3 LYS 42 HB3 LYS 42 -11.525 8.387 12.839 1097 HG2 LYS 42 HG2 LYS 42 -9.766 9.608 10.659 1098 HG3 LYS 42 HG3 LYS 42 -9.598 9.782 12.391 1099 HD2 LYS 42 HD2 LYS 42 -8.003 8.214 12.022 1100 HD3 LYS 42 HD3 LYS 42 -9.366 7.152 12.391 1101 HE2 LYS 42 HE2 LYS 42 -9.752 6.890 9.906 1102 HE3 LYS 42 HE3 LYS 42 -8.369 7.946 9.601 1103 HZ1 LYS 42 HZ1 LYS 42 -8.236 5.330 11.016 1104 HZ2 LYS 42 HZ2 LYS 42 -6.958 6.307 10.731 1105 HZ3 LYS 42 HZ3 LYS 42 -7.739 5.599 9.486 1106 H SER 43 H SER 43 -14.237 8.967 10.027 1107 HA SER 43 HA SER 43 -16.063 6.924 11.241 1108 HB2 SER 43 HB2 SER 43 -16.020 8.905 12.673 1109 HB3 SER 43 HB3 SER 43 -16.403 9.939 11.287 1110 HG SER 43 HG SER 43 -18.040 7.855 12.357 1111 H GLN 44 H GLN 44 -15.331 9.023 8.542 1112 HA GLN 44 HA GLN 44 -15.966 9.098 6.464 1113 HB2 GLN 44 HB2 GLN 44 -16.105 6.445 6.948 1114 HB3 GLN 44 HB3 GLN 44 -17.737 6.728 6.342 1115 HG2 GLN 44 HG2 GLN 44 -15.075 7.348 4.975 1116 HG3 GLN 44 HG3 GLN 44 -16.180 6.053 4.571 1117 HE21 GLN 44 HE21 GLN 44 -15.494 9.488 4.088 1118 HE22 GLN 44 HE22 GLN 44 -16.804 9.691 2.894 1119 H LYS 45 H LYS 45 -17.428 10.486 8.530 1120 HA LYS 45 HA LYS 45 -20.024 11.193 7.402 1121 HB2 LYS 45 HB2 LYS 45 -17.899 12.745 8.935 1122 HB3 LYS 45 HB3 LYS 45 -19.510 13.364 8.585 1123 HG2 LYS 45 HG2 LYS 45 -20.572 11.932 10.096 1124 HG3 LYS 45 HG3 LYS 45 -19.251 10.747 10.113 1125 HD2 LYS 45 HD2 LYS 45 -17.791 12.206 11.298 1126 HD3 LYS 45 HD3 LYS 45 -18.900 13.583 11.121 1127 HE2 LYS 45 HE2 LYS 45 -19.461 13.040 13.263 1128 HE3 LYS 45 HE3 LYS 45 -20.614 12.023 12.401 1129 HZ1 LYS 45 HZ1 LYS 45 -18.918 10.188 12.646 1130 HZ2 LYS 45 HZ2 LYS 45 -19.514 10.719 14.079 1131 HZ3 LYS 45 HZ3 LYS 45 -18.021 11.172 13.587 1132 H GLU 46 H GLU 46 -20.439 12.490 5.630 1133 HA GLU 46 HA GLU 46 -18.358 14.145 4.401 1134 HB2 GLU 46 HB2 GLU 46 -18.455 13.041 2.217 1135 HB3 GLU 46 HB3 GLU 46 -17.731 12.036 3.474 1136 HG2 GLU 46 HG2 GLU 46 -19.819 10.714 3.617 1137 HG3 GLU 46 HG3 GLU 46 -20.568 11.764 2.406 1138 H GLU 47 H GLU 47 -19.091 15.440 2.637 1139 HA GLU 47 HA GLU 47 -21.898 16.328 3.045 1140 HB2 GLU 47 HB2 GLU 47 -20.045 17.854 3.614 1141 HB3 GLU 47 HB3 GLU 47 -19.499 17.806 1.934 1142 HG2 GLU 47 HG2 GLU 47 -21.743 18.756 1.246 1143 HG3 GLU 47 HG3 GLU 47 -22.186 18.832 2.949 1144 H1 GLY 1 H1 GLY 1 -12.612 48.021 23.527 1145 H2 GLY 1 H2 GLY 1 -11.311 47.192 24.080 1146 H3 GLY 1 H3 GLY 1 -12.220 48.077 25.119 1147 HA2 GLY 1 HA2 GLY 1 -12.690 45.728 25.377 1148 HA3 GLY 1 HA3 GLY 1 -14.108 46.637 24.826 1149 H SER 2 H SER 2 -14.117 43.984 24.442 1150 HA SER 2 HA SER 2 -14.408 42.309 22.957 1151 HB2 SER 2 HB2 SER 2 -14.897 44.546 20.973 1152 HB3 SER 2 HB3 SER 2 -15.481 42.879 20.852 1153 HG SER 2 HG SER 2 -16.774 43.201 22.651 1154 H HIS 3 H HIS 3 -11.648 42.959 23.263 1155 HA HIS 3 HA HIS 3 -10.277 42.827 20.723 1156 HB2 HIS 3 HB2 HIS 3 -9.266 42.181 23.517 1157 HB3 HIS 3 HB3 HIS 3 -8.272 42.476 22.090 1158 HD1 HIS 3 HD1 HIS 3 -8.666 45.115 21.010 1159 HD2 HIS 3 HD2 HIS 3 -9.831 44.290 24.970 1160 HE1 HIS 3 HE1 HIS 3 -8.972 47.373 22.146 1161 H MET 4 H MET 4 -8.905 41.110 19.978 1162 HA MET 4 HA MET 4 -10.182 38.511 19.941 1163 HB2 MET 4 HB2 MET 4 -8.563 37.953 18.291 1164 HB3 MET 4 HB3 MET 4 -9.113 39.586 17.963 1165 HG2 MET 4 HG2 MET 4 -6.493 38.813 19.328 1166 HG3 MET 4 HG3 MET 4 -6.669 39.243 17.640 1167 HE1 MET 4 HE1 MET 4 -8.512 41.816 17.540 1168 HE2 MET 4 HE2 MET 4 -7.269 43.078 17.659 1169 HE3 MET 4 HE3 MET 4 -6.967 41.627 16.681 1170 H GLU 5 H GLU 5 -7.842 39.843 22.067 1171 HA GLU 5 HA GLU 5 -6.225 37.521 22.568 1172 HB2 GLU 5 HB2 GLU 5 -6.777 39.939 24.331 1173 HB3 GLU 5 HB3 GLU 5 -5.507 38.730 24.587 1174 HG2 GLU 5 HG2 GLU 5 -4.592 39.316 22.299 1175 HG3 GLU 5 HG3 GLU 5 -5.733 40.665 22.243 1176 H TYR 6 H TYR 6 -6.328 35.925 24.077 1177 HA TYR 6 HA TYR 6 -8.897 35.487 25.530 1178 HB2 TYR 6 HB2 TYR 6 -6.702 33.591 24.632 1179 HB3 TYR 6 HB3 TYR 6 -8.014 33.132 25.698 1180 HD1 TYR 6 HD1 TYR 6 -7.824 31.387 23.719 1181 HD2 TYR 6 HD2 TYR 6 -9.610 35.294 23.369 1182 HE1 TYR 6 HE1 TYR 6 -9.254 30.543 21.900 1183 HE2 TYR 6 HE2 TYR 6 -10.969 34.497 21.478 1184 HH TYR 6 HH TYR 6 -11.466 32.795 20.113 1185 H ASP 7 H ASP 7 -8.793 34.502 27.610 1186 HA ASP 7 HA ASP 7 -6.439 35.259 29.290 1187 HB2 ASP 7 HB2 ASP 7 -7.953 36.076 30.956 1188 HB3 ASP 7 HB3 ASP 7 -8.300 36.861 29.418 1189 H GLY 8 H GLY 8 -7.546 32.632 28.094 1190 HA2 GLY 8 HA2 GLY 8 -6.938 30.442 29.105 1191 HA3 GLY 8 HA3 GLY 8 -7.739 30.972 30.585 1192 H GLN 9 H GLN 9 -10.040 32.236 29.118 1193 HA GLN 9 HA GLN 9 -11.684 29.867 28.733 1194 HB2 GLN 9 HB2 GLN 9 -12.550 31.918 29.735 1195 HB3 GLN 9 HB3 GLN 9 -12.245 32.815 28.249 1196 HG2 GLN 9 HG2 GLN 9 -13.912 30.392 27.807 1197 HG3 GLN 9 HG3 GLN 9 -14.610 31.482 28.985 1198 HE21 GLN 9 HE21 GLN 9 -14.724 30.811 25.739 1199 HE22 GLN 9 HE22 GLN 9 -15.203 32.420 25.194 1200 H LEU 10 H LEU 10 -11.844 28.687 26.939 1201 HA LEU 10 HA LEU 10 -10.984 29.715 24.315 1202 HB2 LEU 10 HB2 LEU 10 -10.267 27.495 25.164 1203 HB3 LEU 10 HB3 LEU 10 -11.951 26.941 25.145 1204 HG LEU 10 HG LEU 10 -10.393 26.146 23.434 1205 HD11 LEU 10 HD11 LEU 10 -12.383 27.492 21.759 1206 HD12 LEU 10 HD12 LEU 10 -12.996 26.482 23.090 1207 HD13 LEU 10 HD13 LEU 10 -11.890 25.790 21.886 1208 HD21 LEU 10 HD21 LEU 10 -10.625 28.869 22.141 1209 HD22 LEU 10 HD22 LEU 10 -9.535 27.542 21.722 1210 HD23 LEU 10 HD23 LEU 10 -9.288 28.426 23.225 1211 H ASP 11 H ASP 11 -12.331 29.938 22.557 1212 HA ASP 11 HA ASP 11 -15.039 30.706 23.048 1213 HB2 ASP 11 HB2 ASP 11 -13.210 31.258 21.131 1214 HB3 ASP 11 HB3 ASP 11 -14.120 30.042 20.280 1215 H SER 12 H SER 12 -16.936 29.586 22.888 1216 HA SER 12 HA SER 12 -16.950 26.793 23.076 1217 HB2 SER 12 HB2 SER 12 -19.242 28.505 22.145 1218 HB3 SER 12 HB3 SER 12 -19.321 26.892 22.910 1219 HG SER 12 HG SER 12 -19.714 28.598 24.416 1220 H GLU 13 H GLU 13 -17.068 28.696 20.174 1221 HA GLU 13 HA GLU 13 -17.990 26.751 18.291 1222 HB2 GLU 13 HB2 GLU 13 -16.226 29.223 18.104 1223 HB3 GLU 13 HB3 GLU 13 -16.687 28.301 16.691 1224 HG2 GLU 13 HG2 GLU 13 -18.703 29.549 18.615 1225 HG3 GLU 13 HG3 GLU 13 -18.055 30.381 17.207 1226 H TRP 14 H TRP 14 -14.837 27.153 19.755 1227 HA TRP 14 HA TRP 14 -13.705 25.131 17.889 1228 HB2 TRP 14 HB2 TRP 14 -11.926 26.491 19.797 1229 HB3 TRP 14 HB3 TRP 14 -11.649 25.952 18.147 1230 HD1 TRP 14 HD1 TRP 14 -11.680 28.960 19.987 1231 HE1 TRP 14 HE1 TRP 14 -12.447 31.026 18.669 1232 HE3 TRP 14 HE3 TRP 14 -13.591 26.634 15.845 1233 HZ2 TRP 14 HZ2 TRP 14 -13.762 31.603 16.159 1234 HZ3 TRP 14 HZ3 TRP 14 -14.572 27.964 13.987 1235 HH2 TRP 14 HH2 TRP 14 -14.688 30.441 14.144 1236 H GLU 15 H GLU 15 -14.414 25.653 21.281 1237 HA GLU 15 HA GLU 15 -13.428 23.271 22.473 1238 HB2 GLU 15 HB2 GLU 15 -14.329 24.874 23.901 1239 HB3 GLU 15 HB3 GLU 15 -15.758 25.116 22.887 1240 HG2 GLU 15 HG2 GLU 15 -16.801 23.143 23.604 1241 HG3 GLU 15 HG3 GLU 15 -15.338 22.550 24.420 1242 H LYS 16 H LYS 16 -16.446 23.892 20.702 1243 HA LYS 16 HA LYS 16 -17.473 21.196 20.916 1244 HB2 LYS 16 HB2 LYS 16 -19.101 21.804 19.266 1245 HB3 LYS 16 HB3 LYS 16 -18.897 23.086 20.453 1246 HG2 LYS 16 HG2 LYS 16 -18.937 24.413 18.674 1247 HG3 LYS 16 HG3 LYS 16 -17.219 24.035 18.622 1248 HD2 LYS 16 HD2 LYS 16 -17.694 22.212 16.956 1249 HD3 LYS 16 HD3 LYS 16 -19.414 22.532 17.070 1250 HE2 LYS 16 HE2 LYS 16 -17.372 24.533 16.002 1251 HE3 LYS 16 HE3 LYS 16 -18.256 23.375 15.015 1252 HZ1 LYS 16 HZ1 LYS 16 -20.345 24.444 15.955 1253 HZ2 LYS 16 HZ2 LYS 16 -19.484 25.345 14.905 1254 HZ3 LYS 16 HZ3 LYS 16 -19.399 25.694 16.468 1255 H LEU 17 H LEU 17 -15.266 22.616 18.571 1256 HA LEU 17 HA LEU 17 -15.235 20.393 16.715 1257 HB2 LEU 17 HB2 LEU 17 -13.195 22.576 17.298 1258 HB3 LEU 17 HB3 LEU 17 -13.056 21.468 15.967 1259 HG LEU 17 HG LEU 17 -15.450 23.304 16.317 1260 HD11 LEU 17 HD11 LEU 17 -14.427 24.788 14.790 1261 HD12 LEU 17 HD12 LEU 17 -13.081 23.663 14.464 1262 HD13 LEU 17 HD13 LEU 17 -13.202 24.463 16.034 1263 HD21 LEU 17 HD21 LEU 17 -14.375 21.596 14.043 1264 HD22 LEU 17 HD22 LEU 17 -15.642 22.836 13.844 1265 HD23 LEU 17 HD23 LEU 17 -15.946 21.415 14.857 1266 H VAL 18 H VAL 18 -13.009 21.309 19.429 1267 HA VAL 18 HA VAL 18 -11.419 18.919 19.086 1268 HB VAL 18 HB VAL 18 -10.527 20.827 20.234 1269 HG11 VAL 18 HG11 VAL 18 -12.648 20.324 22.340 1270 HG12 VAL 18 HG12 VAL 18 -11.155 21.245 22.641 1271 HG13 VAL 18 HG13 VAL 18 -12.319 21.769 21.399 1272 HG21 VAL 18 HG21 VAL 18 -9.482 19.726 22.090 1273 HG22 VAL 18 HG22 VAL 18 -10.682 18.415 22.110 1274 HG23 VAL 18 HG23 VAL 18 -9.601 18.600 20.723 1275 H ARG 19 H ARG 19 -14.233 19.504 21.242 1276 HA ARG 19 HA ARG 19 -14.183 16.881 22.456 1277 HB2 ARG 19 HB2 ARG 19 -16.386 18.922 21.859 1278 HB3 ARG 19 HB3 ARG 19 -16.684 17.428 22.784 1279 HG2 ARG 19 HG2 ARG 19 -14.898 18.152 24.371 1280 HG3 ARG 19 HG3 ARG 19 -14.772 19.689 23.554 1281 HD2 ARG 19 HD2 ARG 19 -17.209 18.533 24.952 1282 HD3 ARG 19 HD3 ARG 19 -16.119 19.785 25.576 1283 HE ARG 19 HE ARG 19 -16.926 20.927 23.258 1284 HH11 ARG 19 HH11 ARG 19 -18.872 19.469 25.781 1285 HH12 ARG 19 HH12 ARG 19 -20.262 20.454 25.416 1286 HH21 ARG 19 HH21 ARG 19 -18.747 22.203 22.883 1287 HH22 ARG 19 HH22 ARG 19 -20.183 21.943 23.819 1288 H ASP 20 H ASP 20 -15.768 18.074 19.510 1289 HA ASP 20 HA ASP 20 -16.956 15.643 18.613 1290 HB2 ASP 20 HB2 ASP 20 -16.031 18.214 17.392 1291 HB3 ASP 20 HB3 ASP 20 -16.139 16.860 16.297 1292 H ALA 21 H ALA 21 -13.565 16.820 18.150 1293 HA ALA 21 HA ALA 21 -12.804 14.607 16.485 1294 HB1 ALA 21 HB1 ALA 21 -11.519 16.638 16.577 1295 HB2 ALA 21 HB2 ALA 21 -11.157 16.415 18.304 1296 HB3 ALA 21 HB3 ALA 21 -10.488 15.300 17.110 1297 H MET 22 H MET 22 -12.559 15.126 20.025 1298 HA MET 22 HA MET 22 -11.327 12.664 20.651 1299 HB2 MET 22 HB2 MET 22 -13.280 14.218 22.364 1300 HB3 MET 22 HB3 MET 22 -12.222 12.897 22.854 1301 HG2 MET 22 HG2 MET 22 -11.596 15.726 22.702 1302 HG3 MET 22 HG3 MET 22 -10.869 14.474 23.558 1303 HE1 MET 22 HE1 MET 22 -7.828 13.431 21.699 1304 HE2 MET 22 HE2 MET 22 -9.045 13.101 22.954 1305 HE3 MET 22 HE3 MET 22 -9.285 12.485 21.305 1306 H THR 23 H THR 23 -14.845 13.415 20.260 1307 HA THR 23 HA THR 23 -15.610 10.661 20.870 1308 HB THR 23 HB THR 23 -17.890 11.348 20.317 1309 HG1 THR 23 HG1 THR 23 -17.636 12.868 18.755 1310 HG21 THR 23 HG21 THR 23 -16.461 13.323 22.140 1311 HG22 THR 23 HG22 THR 23 -17.057 11.712 22.588 1312 HG23 THR 23 HG23 THR 23 -18.202 12.979 22.113 1313 H SER 24 H SER 24 -15.136 12.452 17.805 1314 HA SER 24 HA SER 24 -16.307 10.273 16.271 1315 HB2 SER 24 HB2 SER 24 -16.512 12.727 15.727 1316 HB3 SER 24 HB3 SER 24 -14.853 12.661 15.104 1317 HG SER 24 HG SER 24 -15.537 10.920 13.770 1318 H GLY 25 H GLY 25 -13.513 10.151 17.831 1319 HA2 GLY 25 HA2 GLY 25 -11.758 8.664 17.685 1320 HA3 GLY 25 HA3 GLY 25 -12.488 7.989 16.224 1321 H VAL 26 H VAL 26 -11.678 11.389 16.349 1322 HA VAL 26 HA VAL 26 -9.964 11.229 14.009 1323 HB VAL 26 HB VAL 26 -10.801 13.453 15.858 1324 HG11 VAL 26 HG11 VAL 26 -8.955 13.676 13.513 1325 HG12 VAL 26 HG12 VAL 26 -9.993 15.019 14.040 1326 HG13 VAL 26 HG13 VAL 26 -8.776 14.342 15.140 1327 HG21 VAL 26 HG21 VAL 26 -12.122 14.155 13.860 1328 HG22 VAL 26 HG22 VAL 26 -11.505 12.751 12.972 1329 HG23 VAL 26 HG23 VAL 26 -12.557 12.528 14.380 1330 H SER 27 H SER 27 -7.764 11.596 13.823 1331 HA SER 27 HA SER 27 -6.118 10.368 15.692 1332 HB2 SER 27 HB2 SER 27 -5.343 12.361 13.552 1333 HB3 SER 27 HB3 SER 27 -4.224 11.260 14.377 1334 HG SER 27 HG SER 27 -5.311 9.516 13.453 1335 H LYS 28 H LYS 28 -5.817 11.014 17.726 1336 HA LYS 28 HA LYS 28 -6.019 13.652 18.657 1337 HB2 LYS 28 HB2 LYS 28 -5.340 12.777 20.809 1338 HB3 LYS 28 HB3 LYS 28 -6.412 11.646 19.991 1339 HG2 LYS 28 HG2 LYS 28 -4.176 10.465 19.217 1340 HG3 LYS 28 HG3 LYS 28 -3.434 11.394 20.520 1341 HD2 LYS 28 HD2 LYS 28 -5.726 9.389 20.763 1342 HD3 LYS 28 HD3 LYS 28 -4.043 9.117 21.226 1343 HE2 LYS 28 HE2 LYS 28 -4.230 10.913 22.941 1344 HE3 LYS 28 HE3 LYS 28 -5.926 11.157 22.492 1345 HZ1 LYS 28 HZ1 LYS 28 -6.370 8.842 23.157 1346 HZ2 LYS 28 HZ2 LYS 28 -5.738 9.678 24.411 1347 HZ3 LYS 28 HZ3 LYS 28 -4.805 8.627 23.579 1348 H LYS 29 H LYS 29 -3.091 12.036 17.453 1349 HA LYS 29 HA LYS 29 -1.243 14.094 18.308 1350 HB2 LYS 29 HB2 LYS 29 0.292 13.008 16.784 1351 HB3 LYS 29 HB3 LYS 29 -0.565 11.819 17.765 1352 HG2 LYS 29 HG2 LYS 29 -2.154 11.954 15.482 1353 HG3 LYS 29 HG3 LYS 29 -0.561 12.299 14.820 1354 HD2 LYS 29 HD2 LYS 29 -1.365 9.906 16.532 1355 HD3 LYS 29 HD3 LYS 29 -1.175 9.880 14.769 1356 HE2 LYS 29 HE2 LYS 29 1.231 10.471 15.002 1357 HE3 LYS 29 HE3 LYS 29 1.064 10.486 16.761 1358 HZ1 LYS 29 HZ1 LYS 29 1.939 8.362 15.983 1359 HZ2 LYS 29 HZ2 LYS 29 0.636 8.102 15.036 1360 HZ3 LYS 29 HZ3 LYS 29 0.478 8.119 16.664 1361 H GLN 30 H GLN 30 -3.315 13.746 15.446 1362 HA GLN 30 HA GLN 30 -1.946 15.691 13.845 1363 HB2 GLN 30 HB2 GLN 30 -4.797 14.640 13.729 1364 HB3 GLN 30 HB3 GLN 30 -4.131 15.803 12.600 1365 HG2 GLN 30 HG2 GLN 30 -3.046 12.997 13.035 1366 HG3 GLN 30 HG3 GLN 30 -4.088 13.508 11.702 1367 HE21 GLN 30 HE21 GLN 30 -1.254 12.396 11.695 1368 HE22 GLN 30 HE22 GLN 30 -0.353 13.616 10.806 1369 H PHE 31 H PHE 31 -4.321 16.074 16.403 1370 HA PHE 31 HA PHE 31 -5.089 18.797 15.939 1371 HB2 PHE 31 HB2 PHE 31 -5.118 16.936 18.213 1372 HB3 PHE 31 HB3 PHE 31 -4.700 18.567 18.702 1373 HD1 PHE 31 HD1 PHE 31 -6.348 20.225 19.002 1374 HD2 PHE 31 HD2 PHE 31 -7.249 16.707 16.658 1375 HE1 PHE 31 HE1 PHE 31 -8.717 20.936 18.805 1376 HE2 PHE 31 HE2 PHE 31 -9.521 17.545 16.293 1377 HZ PHE 31 HZ PHE 31 -10.263 19.694 17.326 1378 H ARG 32 H ARG 32 -2.276 17.623 17.809 1379 HA ARG 32 HA ARG 32 -1.056 20.228 18.025 1380 HB2 ARG 32 HB2 ARG 32 -0.592 18.345 19.596 1381 HB3 ARG 32 HB3 ARG 32 0.040 17.385 18.265 1382 HG2 ARG 32 HG2 ARG 32 1.915 18.235 19.500 1383 HG3 ARG 32 HG3 ARG 32 1.869 19.059 17.956 1384 HD2 ARG 32 HD2 ARG 32 0.464 20.876 19.373 1385 HD3 ARG 32 HD3 ARG 32 1.323 20.128 20.714 1386 HE ARG 32 HE ARG 32 2.768 21.155 18.273 1387 HH11 ARG 32 HH11 ARG 32 4.001 22.865 18.452 1388 HH12 ARG 32 HH12 ARG 32 4.667 23.351 20.007 1389 HH21 ARG 32 HH21 ARG 32 2.559 21.269 21.784 1390 HH22 ARG 32 HH22 ARG 32 3.760 22.527 21.875 1391 H GLU 33 H GLU 33 -0.358 17.518 15.780 1392 HA GLU 33 HA GLU 33 1.753 18.939 14.477 1393 HB2 GLU 33 HB2 GLU 33 -0.010 16.780 13.279 1394 HB3 GLU 33 HB3 GLU 33 1.566 17.313 12.691 1395 HG2 GLU 33 HG2 GLU 33 0.988 15.734 15.190 1396 HG3 GLU 33 HG3 GLU 33 1.918 15.251 13.785 1397 H PHE 34 H PHE 34 -1.768 18.956 13.680 1398 HA PHE 34 HA PHE 34 -1.439 20.635 11.372 1399 HB2 PHE 34 HB2 PHE 34 -3.461 19.160 12.063 1400 HB3 PHE 34 HB3 PHE 34 -3.974 20.544 13.023 1401 HD1 PHE 34 HD1 PHE 34 -3.896 18.958 9.836 1402 HD2 PHE 34 HD2 PHE 34 -4.161 22.892 11.649 1403 HE1 PHE 34 HE1 PHE 34 -4.715 19.889 7.689 1404 HE2 PHE 34 HE2 PHE 34 -4.889 23.797 9.470 1405 HZ PHE 34 HZ PHE 34 -5.202 22.315 7.503 1406 H LEU 35 H LEU 35 -2.027 21.290 14.844 1407 HA LEU 35 HA LEU 35 -2.333 24.094 14.779 1408 HB2 LEU 35 HB2 LEU 35 -2.146 22.207 16.727 1409 HB3 LEU 35 HB3 LEU 35 -0.517 22.816 16.821 1410 HG LEU 35 HG LEU 35 -3.142 24.198 17.387 1411 HD11 LEU 35 HD11 LEU 35 -0.550 23.731 18.926 1412 HD12 LEU 35 HD12 LEU 35 -2.071 22.825 19.103 1413 HD13 LEU 35 HD13 LEU 35 -2.003 24.531 19.540 1414 HD21 LEU 35 HD21 LEU 35 -1.860 25.909 16.189 1415 HD22 LEU 35 HD22 LEU 35 -0.393 25.450 17.077 1416 HD23 LEU 35 HD23 LEU 35 -1.740 26.234 17.925 1417 H ASP 36 H ASP 36 0.685 22.177 14.997 1418 HA ASP 36 HA ASP 36 2.504 24.359 14.699 1419 HB2 ASP 36 HB2 ASP 36 2.844 21.385 14.191 1420 HB3 ASP 36 HB3 ASP 36 4.159 22.560 14.165 1421 H TYR 37 H TYR 37 1.038 22.196 12.231 1422 HA TYR 37 HA TYR 37 2.425 23.107 9.969 1423 HB2 TYR 37 HB2 TYR 37 0.950 21.174 9.928 1424 HB3 TYR 37 HB3 TYR 37 -0.435 22.174 10.306 1425 HD1 TYR 37 HD1 TYR 37 2.180 22.933 7.746 1426 HD2 TYR 37 HD2 TYR 37 -1.888 21.719 8.516 1427 HE1 TYR 37 HE1 TYR 37 1.668 23.114 5.344 1428 HE2 TYR 37 HE2 TYR 37 -2.417 21.973 6.092 1429 HH TYR 37 HH TYR 37 -1.603 22.820 4.017 1430 H GLN 38 H GLN 38 -0.653 24.485 11.323 1431 HA GLN 38 HA GLN 38 -0.613 26.669 9.382 1432 HB2 GLN 38 HB2 GLN 38 -2.139 26.274 11.973 1433 HB3 GLN 38 HB3 GLN 38 -2.325 27.701 10.957 1434 HG2 GLN 38 HG2 GLN 38 -2.988 24.829 10.264 1435 HG3 GLN 38 HG3 GLN 38 -4.114 26.193 10.386 1436 HE21 GLN 38 HE21 GLN 38 -2.871 24.212 8.097 1437 HE22 GLN 38 HE22 GLN 38 -2.802 25.354 6.772 1438 H LYS 39 H LYS 39 0.510 26.436 12.806 1439 HA LYS 39 HA LYS 39 1.347 29.143 13.097 1440 HB2 LYS 39 HB2 LYS 39 2.320 26.503 14.200 1441 HB3 LYS 39 HB3 LYS 39 3.226 27.976 14.515 1442 HG2 LYS 39 HG2 LYS 39 1.363 29.030 15.599 1443 HG3 LYS 39 HG3 LYS 39 0.254 27.695 15.252 1444 HD2 LYS 39 HD2 LYS 39 1.598 26.161 16.595 1445 HD3 LYS 39 HD3 LYS 39 2.880 27.360 16.799 1446 HE2 LYS 39 HE2 LYS 39 1.377 28.817 18.078 1447 HE3 LYS 39 HE3 LYS 39 0.053 27.659 17.890 1448 HZ1 LYS 39 HZ1 LYS 39 1.195 27.387 20.032 1449 HZ2 LYS 39 HZ2 LYS 39 2.623 27.119 19.297 1450 HZ3 LYS 39 HZ3 LYS 39 1.412 26.036 19.135 1451 H TRP 40 H TRP 40 3.048 26.445 11.508 1452 HA TRP 40 HA TRP 40 5.519 27.489 10.872 1453 HB2 TRP 40 HB2 TRP 40 4.288 25.191 10.341 1454 HB3 TRP 40 HB3 TRP 40 4.026 25.905 8.776 1455 HD1 TRP 40 HD1 TRP 40 6.397 26.586 7.446 1456 HE1 TRP 40 HE1 TRP 40 8.705 25.459 7.499 1457 HE3 TRP 40 HE3 TRP 40 5.725 23.498 11.502 1458 HZ2 TRP 40 HZ2 TRP 40 10.090 23.496 9.095 1459 HZ3 TRP 40 HZ3 TRP 40 7.558 22.015 12.253 1460 HH2 TRP 40 HH2 TRP 40 9.745 22.021 11.082 1461 H ARG 41 H ARG 41 2.483 28.356 9.303 1462 HA ARG 41 HA ARG 41 3.983 30.079 7.362 1463 HB2 ARG 41 HB2 ARG 41 2.761 28.088 6.420 1464 HB3 ARG 41 HB3 ARG 41 1.254 28.764 7.029 1465 HG2 ARG 41 HG2 ARG 41 1.579 29.202 4.619 1466 HG3 ARG 41 HG3 ARG 41 1.457 30.695 5.545 1467 HD2 ARG 41 HD2 ARG 41 3.202 30.852 3.823 1468 HD3 ARG 41 HD3 ARG 41 3.883 31.014 5.444 1469 HE ARG 41 HE ARG 41 3.903 28.301 4.198 1470 HH11 ARG 41 HH11 ARG 41 5.929 31.087 4.920 1471 HH12 ARG 41 HH12 ARG 41 7.378 30.139 4.710 1472 HH21 ARG 41 HH21 ARG 41 5.613 27.273 3.892 1473 HH22 ARG 41 HH22 ARG 41 7.224 27.963 4.131 1474 H LYS 42 H LYS 42 1.090 29.943 9.418 1475 HA LYS 42 HA LYS 42 0.285 32.704 8.939 1476 HB2 LYS 42 HB2 LYS 42 -0.477 30.822 11.205 1477 HB3 LYS 42 HB3 LYS 42 -1.297 32.310 10.762 1478 HG2 LYS 42 HG2 LYS 42 -1.185 29.763 9.084 1479 HG3 LYS 42 HG3 LYS 42 -2.537 30.372 10.019 1480 HD2 LYS 42 HD2 LYS 42 -3.181 31.035 7.949 1481 HD3 LYS 42 HD3 LYS 42 -2.333 32.495 8.460 1482 HE2 LYS 42 HE2 LYS 42 -0.304 31.684 7.194 1483 HE3 LYS 42 HE3 LYS 42 -1.204 30.241 6.708 1484 HZ1 LYS 42 HZ1 LYS 42 -2.788 31.701 5.562 1485 HZ2 LYS 42 HZ2 LYS 42 -1.284 31.954 4.982 1486 HZ3 LYS 42 HZ3 LYS 42 -1.955 33.035 6.005 1487 H SER 43 H SER 43 2.556 31.226 11.186 1488 HA SER 43 HA SER 43 3.179 33.970 12.221 1489 HB2 SER 43 HB2 SER 43 1.938 32.683 13.892 1490 HB3 SER 43 HB3 SER 43 3.120 31.375 13.784 1491 HG SER 43 HG SER 43 3.623 34.061 14.629 1492 H GLN 44 H GLN 44 4.471 30.819 11.193 1493 HA GLN 44 HA GLN 44 6.438 30.193 10.402 1494 HB2 GLN 44 HB2 GLN 44 5.965 32.634 9.236 1495 HB3 GLN 44 HB3 GLN 44 7.584 32.875 9.863 1496 HG2 GLN 44 HG2 GLN 44 6.589 30.840 7.841 1497 HG3 GLN 44 HG3 GLN 44 7.731 32.135 7.592 1498 HE21 GLN 44 HE21 GLN 44 7.363 28.800 8.734 1499 HE22 GLN 44 HE22 GLN 44 9.113 28.509 8.843 1500 H LYS 45 H LYS 45 6.210 30.711 13.240 1501 HA LYS 45 HA LYS 45 8.720 31.715 14.243 1502 HB2 LYS 45 HB2 LYS 45 7.802 31.283 16.400 1503 HB3 LYS 45 HB3 LYS 45 6.542 31.913 15.353 1504 HG2 LYS 45 HG2 LYS 45 6.135 29.194 15.043 1505 HG3 LYS 45 HG3 LYS 45 6.778 29.243 16.683 1506 HD2 LYS 45 HD2 LYS 45 4.354 30.666 15.556 1507 HD3 LYS 45 HD3 LYS 45 4.340 29.358 16.728 1508 HE2 LYS 45 HE2 LYS 45 4.979 30.729 18.509 1509 HE3 LYS 45 HE3 LYS 45 5.797 31.894 17.466 1510 HZ1 LYS 45 HZ1 LYS 45 2.844 31.585 17.588 1511 HZ2 LYS 45 HZ2 LYS 45 3.661 32.639 16.645 1512 HZ3 LYS 45 HZ3 LYS 45 3.705 32.800 18.278 1513 H GLU 46 H GLU 46 7.659 28.488 13.465 1514 HA GLU 46 HA GLU 46 8.597 26.431 13.557 1515 HB2 GLU 46 HB2 GLU 46 11.170 27.958 13.079 1516 HB3 GLU 46 HB3 GLU 46 10.882 26.239 12.757 1517 HG2 GLU 46 HG2 GLU 46 9.043 26.871 11.182 1518 HG3 GLU 46 HG3 GLU 46 9.475 28.569 11.399 1519 H GLU 47 H GLU 47 8.329 27.692 16.192 1520 HA GLU 47 HA GLU 47 10.535 26.902 17.900 1521 HB2 GLU 47 HB2 GLU 47 7.662 27.684 18.513 1522 HB3 GLU 47 HB3 GLU 47 8.901 27.370 19.736 1523 HG2 GLU 47 HG2 GLU 47 10.321 29.169 18.762 1524 HG3 GLU 47 HG3 GLU 47 9.037 29.554 17.616 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 9.087 -7.870 -13.934 2 H2 GLY 1 H2 GLY 1 9.735 -9.115 -13.087 3 H3 GLY 1 H3 GLY 1 9.957 -7.574 -12.579 4 HA2 GLY 1 HA2 GLY 1 7.377 -9.002 -12.667 5 HA3 GLY 1 HA3 GLY 1 8.313 -8.656 -11.201 6 H SER 2 H SER 2 6.539 -7.487 -10.320 7 HA SER 2 HA SER 2 5.343 -5.197 -11.612 8 HB2 SER 2 HB2 SER 2 4.259 -6.570 -9.843 9 HB3 SER 2 HB3 SER 2 5.403 -5.906 -8.661 10 HG SER 2 HG SER 2 3.397 -4.760 -8.731 11 H HIS 3 H HIS 3 5.471 -2.974 -10.916 12 HA HIS 3 HA HIS 3 8.176 -1.972 -10.756 13 HB2 HIS 3 HB2 HIS 3 6.465 -0.785 -12.021 14 HB3 HIS 3 HB3 HIS 3 5.449 -0.630 -10.587 15 HD1 HIS 3 HD1 HIS 3 8.967 0.649 -11.716 16 HD2 HIS 3 HD2 HIS 3 5.724 1.542 -9.181 17 HE1 HIS 3 HE1 HIS 3 9.534 2.857 -10.577 18 H MET 4 H MET 4 9.142 -0.663 -9.198 19 HA MET 4 HA MET 4 8.079 -0.735 -6.448 20 HB2 MET 4 HB2 MET 4 9.669 -2.738 -6.978 21 HB3 MET 4 HB3 MET 4 10.950 -1.541 -7.022 22 HG2 MET 4 HG2 MET 4 10.806 -2.595 -4.828 23 HG3 MET 4 HG3 MET 4 10.458 -0.875 -4.710 24 HE1 MET 4 HE1 MET 4 7.108 -4.121 -4.554 25 HE2 MET 4 HE2 MET 4 7.765 -3.505 -6.084 26 HE3 MET 4 HE3 MET 4 8.795 -4.468 -4.998 27 H GLU 5 H GLU 5 8.408 1.105 -5.358 28 HA GLU 5 HA GLU 5 9.505 3.388 -6.758 29 HB2 GLU 5 HB2 GLU 5 8.339 3.042 -3.965 30 HB3 GLU 5 HB3 GLU 5 8.864 4.585 -4.632 31 HG2 GLU 5 HG2 GLU 5 7.295 4.009 -6.648 32 HG3 GLU 5 HG3 GLU 5 6.549 2.862 -5.527 33 H TYR 6 H TYR 6 12.631 3.992 -5.363 34 HA TYR 6 HA TYR 6 10.700 4.795 -7.436 35 HB2 TYR 6 HB2 TYR 6 10.205 6.137 -5.324 36 HB3 TYR 6 HB3 TYR 6 11.838 6.745 -5.400 37 HD1 TYR 6 HD1 TYR 6 12.539 8.222 -7.337 38 HD2 TYR 6 HD2 TYR 6 8.423 7.075 -6.662 39 HE1 TYR 6 HE1 TYR 6 11.765 10.072 -8.802 40 HE2 TYR 6 HE2 TYR 6 7.665 9.060 -7.977 41 HH TYR 6 HH TYR 6 9.946 10.722 -10.111 42 H ASP 7 H ASP 7 11.727 5.575 -9.241 43 HA ASP 7 HA ASP 7 14.707 5.751 -9.225 44 HB2 ASP 7 HB2 ASP 7 14.840 4.190 -11.048 45 HB3 ASP 7 HB3 ASP 7 14.016 3.449 -9.688 46 H GLY 8 H GLY 8 12.458 7.759 -9.639 47 HA2 GLY 8 HA2 GLY 8 12.852 9.871 -10.789 48 HA3 GLY 8 HA3 GLY 8 13.459 8.986 -12.181 49 H GLN 9 H GLN 9 11.280 6.974 -12.100 50 HA GLN 9 HA GLN 9 9.208 8.343 -13.618 51 HB2 GLN 9 HB2 GLN 9 9.921 6.068 -14.135 52 HB3 GLN 9 HB3 GLN 9 9.527 5.533 -12.508 53 HG2 GLN 9 HG2 GLN 9 7.158 6.718 -13.773 54 HG3 GLN 9 HG3 GLN 9 7.870 5.501 -14.819 55 HE21 GLN 9 HE21 GLN 9 7.539 5.640 -11.185 56 HE22 GLN 9 HE22 GLN 9 6.848 4.030 -11.099 57 H LEU 10 H LEU 10 7.502 9.448 -12.727 58 HA LEU 10 HA LEU 10 6.713 8.989 -9.968 59 HB2 LEU 10 HB2 LEU 10 6.564 11.195 -11.218 60 HB3 LEU 10 HB3 LEU 10 5.144 10.563 -12.048 61 HG LEU 10 HG LEU 10 4.779 12.123 -10.184 62 HD11 LEU 10 HD11 LEU 10 3.563 9.557 -9.258 63 HD12 LEU 10 HD12 LEU 10 3.135 10.248 -10.833 64 HD13 LEU 10 HD13 LEU 10 2.895 11.207 -9.364 65 HD21 LEU 10 HD21 LEU 10 5.381 10.043 -8.114 66 HD22 LEU 10 HD22 LEU 10 5.580 11.813 -8.074 67 HD23 LEU 10 HD23 LEU 10 6.753 10.848 -8.874 68 H ASP 11 H ASP 11 5.310 7.604 -9.193 69 HA ASP 11 HA ASP 11 4.276 5.506 -10.784 70 HB2 ASP 11 HB2 ASP 11 4.811 5.813 -8.156 71 HB3 ASP 11 HB3 ASP 11 3.094 6.182 -8.128 72 H SER 12 H SER 12 2.197 5.028 -11.532 73 HA SER 12 HA SER 12 0.703 7.207 -12.535 74 HB2 SER 12 HB2 SER 12 -0.788 5.519 -13.381 75 HB3 SER 12 HB3 SER 12 0.906 4.978 -13.486 76 HG SER 12 HG SER 12 -1.159 4.053 -11.790 77 H GLU 13 H GLU 13 0.306 5.439 -9.587 78 HA GLU 13 HA GLU 13 -2.328 6.220 -8.809 79 HB2 GLU 13 HB2 GLU 13 0.181 5.373 -7.312 80 HB3 GLU 13 HB3 GLU 13 -1.330 5.676 -6.476 81 HG2 GLU 13 HG2 GLU 13 -0.983 3.633 -8.713 82 HG3 GLU 13 HG3 GLU 13 -0.813 3.258 -7.000 83 H TRP 14 H TRP 14 0.743 7.957 -8.577 84 HA TRP 14 HA TRP 14 -0.586 10.037 -6.924 85 HB2 TRP 14 HB2 TRP 14 2.293 10.284 -7.497 86 HB3 TRP 14 HB3 TRP 14 1.373 10.648 -6.045 87 HD1 TRP 14 HD1 TRP 14 3.982 8.520 -7.078 88 HE1 TRP 14 HE1 TRP 14 4.189 6.363 -5.730 89 HE3 TRP 14 HE3 TRP 14 -0.564 8.606 -4.722 90 HZ2 TRP 14 HZ2 TRP 14 2.525 4.773 -3.972 91 HZ3 TRP 14 HZ3 TRP 14 -1.218 6.768 -3.183 92 HH2 TRP 14 HH2 TRP 14 0.308 4.840 -2.809 93 H GLU 15 H GLU 15 0.885 9.588 -10.069 94 HA GLU 15 HA GLU 15 0.773 12.213 -11.128 95 HB2 GLU 15 HB2 GLU 15 1.732 10.548 -12.498 96 HB3 GLU 15 HB3 GLU 15 0.405 9.415 -12.225 97 HG2 GLU 15 HG2 GLU 15 -1.083 10.732 -13.652 98 HG3 GLU 15 HG3 GLU 15 0.207 11.914 -13.936 99 H LYS 16 H LYS 16 -1.746 9.708 -10.870 100 HA LYS 16 HA LYS 16 -3.793 11.349 -12.087 101 HB2 LYS 16 HB2 LYS 16 -5.386 9.673 -11.464 102 HB3 LYS 16 HB3 LYS 16 -3.921 8.952 -12.120 103 HG2 LYS 16 HG2 LYS 16 -4.163 7.536 -10.430 104 HG3 LYS 16 HG3 LYS 16 -3.280 8.771 -9.541 105 HD2 LYS 16 HD2 LYS 16 -5.422 9.683 -8.655 106 HD3 LYS 16 HD3 LYS 16 -6.339 8.508 -9.601 107 HE2 LYS 16 HE2 LYS 16 -4.278 7.765 -7.484 108 HE3 LYS 16 HE3 LYS 16 -5.996 7.933 -7.136 109 HZ1 LYS 16 HZ1 LYS 16 -5.035 5.615 -7.736 110 HZ2 LYS 16 HZ2 LYS 16 -5.104 6.105 -9.275 111 HZ3 LYS 16 HZ3 LYS 16 -6.487 6.043 -8.402 112 H LEU 17 H LEU 17 -2.758 11.105 -8.739 113 HA LEU 17 HA LEU 17 -4.993 12.546 -7.573 114 HB2 LEU 17 HB2 LEU 17 -2.133 12.100 -6.654 115 HB3 LEU 17 HB3 LEU 17 -3.349 12.859 -5.655 116 HG LEU 17 HG LEU 17 -3.743 10.076 -6.800 117 HD11 LEU 17 HD11 LEU 17 -2.814 9.148 -4.886 118 HD12 LEU 17 HD12 LEU 17 -2.854 10.685 -3.984 119 HD13 LEU 17 HD13 LEU 17 -1.666 10.439 -5.277 120 HD21 LEU 17 HD21 LEU 17 -5.814 11.060 -6.095 121 HD22 LEU 17 HD22 LEU 17 -5.077 11.639 -4.586 122 HD23 LEU 17 HD23 LEU 17 -5.287 9.890 -4.875 123 H VAL 18 H VAL 18 -1.661 13.588 -8.570 124 HA VAL 18 HA VAL 18 -2.203 16.350 -7.875 125 HB VAL 18 HB VAL 18 0.059 15.463 -7.969 126 HG11 VAL 18 HG11 VAL 18 -0.337 15.377 -10.973 127 HG12 VAL 18 HG12 VAL 18 1.225 15.243 -10.144 128 HG13 VAL 18 HG13 VAL 18 -0.041 14.011 -9.896 129 HG21 VAL 18 HG21 VAL 18 -0.384 17.919 -8.262 130 HG22 VAL 18 HG22 VAL 18 1.122 17.344 -9.007 131 HG23 VAL 18 HG23 VAL 18 -0.289 17.684 -10.018 132 H ARG 19 H ARG 19 -2.414 14.645 -11.043 133 HA ARG 19 HA ARG 19 -3.318 16.924 -12.496 134 HB2 ARG 19 HB2 ARG 19 -2.389 14.630 -13.252 135 HB3 ARG 19 HB3 ARG 19 -4.031 14.003 -13.044 136 HG2 ARG 19 HG2 ARG 19 -4.842 15.555 -14.777 137 HG3 ARG 19 HG3 ARG 19 -3.267 16.383 -14.776 138 HD2 ARG 19 HD2 ARG 19 -3.470 14.956 -16.719 139 HD3 ARG 19 HD3 ARG 19 -2.126 14.511 -15.672 140 HE ARG 19 HE ARG 19 -4.685 13.027 -15.331 141 HH11 ARG 19 HH11 ARG 19 -4.455 10.790 -15.111 142 HH12 ARG 19 HH12 ARG 19 -2.970 10.043 -15.644 143 HH21 ARG 19 HH21 ARG 19 -1.489 12.857 -16.798 144 HH22 ARG 19 HH22 ARG 19 -1.324 11.151 -16.388 145 H ASP 20 H ASP 20 -5.194 14.482 -10.666 146 HA ASP 20 HA ASP 20 -7.805 15.536 -11.070 147 HB2 ASP 20 HB2 ASP 20 -6.368 13.949 -8.958 148 HB3 ASP 20 HB3 ASP 20 -7.881 14.687 -8.503 149 H ALA 21 H ALA 21 -5.279 16.531 -8.662 150 HA ALA 21 HA ALA 21 -7.002 18.400 -7.336 151 HB1 ALA 21 HB1 ALA 21 -4.867 19.381 -6.500 152 HB2 ALA 21 HB2 ALA 21 -4.946 17.621 -6.320 153 HB3 ALA 21 HB3 ALA 21 -3.964 18.350 -7.613 154 H MET 22 H MET 22 -4.687 18.795 -10.041 155 HA MET 22 HA MET 22 -5.122 21.557 -10.435 156 HB2 MET 22 HB2 MET 22 -4.399 19.474 -12.499 157 HB3 MET 22 HB3 MET 22 -4.267 21.222 -12.685 158 HG2 MET 22 HG2 MET 22 -2.369 19.374 -11.473 159 HG3 MET 22 HG3 MET 22 -2.155 20.932 -12.094 160 HE1 MET 22 HE1 MET 22 -3.642 23.123 -9.998 161 HE2 MET 22 HE2 MET 22 -1.945 23.346 -9.476 162 HE3 MET 22 HE3 MET 22 -2.318 22.946 -11.168 163 H THR 23 H THR 23 -6.921 18.767 -11.910 164 HA THR 23 HA THR 23 -8.685 20.561 -13.386 165 HB THR 23 HB THR 23 -9.956 18.562 -13.976 166 HG1 THR 23 HG1 THR 23 -9.235 16.559 -13.292 167 HG21 THR 23 HG21 THR 23 -8.218 17.414 -15.264 168 HG22 THR 23 HG22 THR 23 -6.950 18.180 -14.285 169 HG23 THR 23 HG23 THR 23 -7.997 19.171 -15.318 170 H SER 24 H SER 24 -8.994 18.903 -10.239 171 HA SER 24 HA SER 24 -11.788 19.634 -10.016 172 HB2 SER 24 HB2 SER 24 -10.827 17.560 -9.012 173 HB3 SER 24 HB3 SER 24 -10.066 18.559 -7.761 174 HG SER 24 HG SER 24 -12.200 19.404 -7.356 175 H GLY 25 H GLY 25 -9.276 21.715 -9.925 176 HA2 GLY 25 HA2 GLY 25 -9.085 23.887 -9.179 177 HA3 GLY 25 HA3 GLY 25 -10.757 23.803 -8.612 178 H VAL 26 H VAL 26 -8.338 21.558 -7.437 179 HA VAL 26 HA VAL 26 -8.707 22.270 -4.636 180 HB VAL 26 HB VAL 26 -6.965 20.347 -6.161 181 HG11 VAL 26 HG11 VAL 26 -6.368 19.298 -3.953 182 HG12 VAL 26 HG12 VAL 26 -5.465 20.738 -4.453 183 HG13 VAL 26 HG13 VAL 26 -6.727 20.883 -3.234 184 HG21 VAL 26 HG21 VAL 26 -8.368 18.683 -4.963 185 HG22 VAL 26 HG22 VAL 26 -9.253 20.010 -4.194 186 HG23 VAL 26 HG23 VAL 26 -9.336 19.785 -5.943 187 H SER 27 H SER 27 -7.220 23.190 -3.222 188 HA SER 27 HA SER 27 -5.878 25.464 -4.165 189 HB2 SER 27 HB2 SER 27 -5.561 24.021 -1.529 190 HB3 SER 27 HB3 SER 27 -4.967 25.654 -1.888 191 HG SER 27 HG SER 27 -7.536 24.731 -1.415 192 H LYS 28 H LYS 28 -4.270 25.223 -5.637 193 HA LYS 28 HA LYS 28 -2.284 23.249 -5.719 194 HB2 LYS 28 HB2 LYS 28 -1.217 24.607 -7.414 195 HB3 LYS 28 HB3 LYS 28 -2.967 24.656 -7.604 196 HG2 LYS 28 HG2 LYS 28 -2.944 26.908 -6.387 197 HG3 LYS 28 HG3 LYS 28 -1.174 26.847 -6.471 198 HD2 LYS 28 HD2 LYS 28 -1.329 26.698 -8.961 199 HD3 LYS 28 HD3 LYS 28 -3.097 26.804 -8.842 200 HE2 LYS 28 HE2 LYS 28 -2.879 29.013 -7.713 201 HE3 LYS 28 HE3 LYS 28 -1.119 28.906 -7.840 202 HZ1 LYS 28 HZ1 LYS 28 -2.990 28.995 -10.151 203 HZ2 LYS 28 HZ2 LYS 28 -1.361 28.899 -10.269 204 HZ3 LYS 28 HZ3 LYS 28 -2.059 30.234 -9.644 205 H LYS 29 H LYS 29 -2.199 26.262 -3.903 206 HA LYS 29 HA LYS 29 0.540 26.173 -3.051 207 HB2 LYS 29 HB2 LYS 29 -0.200 27.736 -1.320 208 HB3 LYS 29 HB3 LYS 29 -0.833 28.161 -2.908 209 HG2 LYS 29 HG2 LYS 29 -2.900 26.596 -1.898 210 HG3 LYS 29 HG3 LYS 29 -2.261 27.322 -0.424 211 HD2 LYS 29 HD2 LYS 29 -2.480 29.585 -1.514 212 HD3 LYS 29 HD3 LYS 29 -3.177 28.778 -2.942 213 HE2 LYS 29 HE2 LYS 29 -5.034 27.901 -1.539 214 HE3 LYS 29 HE3 LYS 29 -4.331 28.682 -0.114 215 HZ1 LYS 29 HZ1 LYS 29 -4.677 30.835 -1.205 216 HZ2 LYS 29 HZ2 LYS 29 -6.095 30.038 -1.089 217 HZ3 LYS 29 HZ3 LYS 29 -5.323 30.117 -2.523 218 H GLN 30 H GLN 30 -2.321 24.464 -1.818 219 HA GLN 30 HA GLN 30 -1.149 23.753 0.706 220 HB2 GLN 30 HB2 GLN 30 -3.418 22.490 -0.905 221 HB3 GLN 30 HB3 GLN 30 -2.949 21.964 0.703 222 HG2 GLN 30 HG2 GLN 30 -3.952 24.740 -0.012 223 HG3 GLN 30 HG3 GLN 30 -4.897 23.466 0.763 224 HE21 GLN 30 HE21 GLN 30 -4.683 25.973 1.968 225 HE22 GLN 30 HE22 GLN 30 -3.633 25.823 3.372 226 H PHE 31 H PHE 31 -0.971 22.273 -2.485 227 HA PHE 31 HA PHE 31 0.153 19.732 -1.775 228 HB2 PHE 31 HB2 PHE 31 0.078 21.468 -4.190 229 HB3 PHE 31 HB3 PHE 31 1.506 20.468 -4.056 230 HD1 PHE 31 HD1 PHE 31 1.494 18.406 -5.029 231 HD2 PHE 31 HD2 PHE 31 -2.244 20.054 -3.614 232 HE1 PHE 31 HE1 PHE 31 0.275 16.456 -5.935 233 HE2 PHE 31 HE2 PHE 31 -3.434 18.091 -4.485 234 HZ PHE 31 HZ PHE 31 -2.177 16.255 -5.621 235 H ARG 32 H ARG 32 1.861 22.814 -2.475 236 HA ARG 32 HA ARG 32 4.447 21.825 -1.747 237 HB2 ARG 32 HB2 ARG 32 4.170 23.764 -3.201 238 HB3 ARG 32 HB3 ARG 32 3.290 24.634 -1.948 239 HG2 ARG 32 HG2 ARG 32 5.553 25.498 -2.101 240 HG3 ARG 32 HG3 ARG 32 5.305 24.737 -0.548 241 HD2 ARG 32 HD2 ARG 32 6.421 22.627 -1.551 242 HD3 ARG 32 HD3 ARG 32 6.920 23.643 -2.896 243 HE ARG 32 HE ARG 32 7.866 23.665 -0.089 244 HH11 ARG 32 HH11 ARG 32 9.394 24.797 0.589 245 HH12 ARG 32 HH12 ARG 32 10.216 26.018 -0.393 246 HH21 ARG 32 HH21 ARG 32 8.070 25.519 -3.079 247 HH22 ARG 32 HH22 ARG 32 9.431 26.423 -2.471 248 H GLU 33 H GLU 33 2.168 23.809 0.175 249 HA GLU 33 HA GLU 33 3.891 23.876 2.458 250 HB2 GLU 33 HB2 GLU 33 0.853 24.108 2.369 251 HB3 GLU 33 HB3 GLU 33 1.859 24.500 3.757 252 HG2 GLU 33 HG2 GLU 33 1.732 25.950 1.101 253 HG3 GLU 33 HG3 GLU 33 1.257 26.545 2.689 254 H PHE 34 H PHE 34 1.320 21.476 1.657 255 HA PHE 34 HA PHE 34 1.663 20.017 4.114 256 HB2 PHE 34 HB2 PHE 34 -0.326 20.001 2.490 257 HB3 PHE 34 HB3 PHE 34 0.601 18.844 1.538 258 HD1 PHE 34 HD1 PHE 34 1.218 16.577 2.647 259 HD2 PHE 34 HD2 PHE 34 -1.416 19.454 4.505 260 HE1 PHE 34 HE1 PHE 34 0.476 14.870 4.252 261 HE2 PHE 34 HE2 PHE 34 -2.216 17.703 6.070 262 HZ PHE 34 HZ PHE 34 -1.279 15.407 5.949 263 H LEU 35 H LEU 35 3.217 19.761 0.886 264 HA LEU 35 HA LEU 35 4.749 17.426 1.321 265 HB2 LEU 35 HB2 LEU 35 4.731 19.638 -0.555 266 HB3 LEU 35 HB3 LEU 35 6.377 19.421 -0.032 267 HG LEU 35 HG LEU 35 6.082 18.187 -2.011 268 HD11 LEU 35 HD11 LEU 35 5.930 15.997 0.050 269 HD12 LEU 35 HD12 LEU 35 7.319 17.101 -0.005 270 HD13 LEU 35 HD13 LEU 35 6.921 16.136 -1.420 271 HD21 LEU 35 HD21 LEU 35 3.727 16.800 -0.710 272 HD22 LEU 35 HD22 LEU 35 4.409 16.511 -2.336 273 HD23 LEU 35 HD23 LEU 35 3.647 18.050 -1.967 274 H ASP 36 H ASP 36 5.724 20.843 1.982 275 HA ASP 36 HA ASP 36 8.181 20.080 3.239 276 HB2 ASP 36 HB2 ASP 36 6.615 22.663 3.356 277 HB3 ASP 36 HB3 ASP 36 8.199 22.430 4.100 278 H TYR 37 H TYR 37 4.955 20.762 4.653 279 HA TYR 37 HA TYR 37 5.607 20.427 7.386 280 HB2 TYR 37 HB2 TYR 37 3.442 21.136 7.018 281 HB3 TYR 37 HB3 TYR 37 3.176 20.010 5.699 282 HD1 TYR 37 HD1 TYR 37 1.399 18.589 6.124 283 HD2 TYR 37 HD2 TYR 37 4.160 19.519 9.308 284 HE1 TYR 37 HE1 TYR 37 0.333 16.864 7.567 285 HE2 TYR 37 HE2 TYR 37 3.171 17.713 10.689 286 HH TYR 37 HH TYR 37 1.684 15.938 10.735 287 H GLN 38 H GLN 38 4.557 17.761 5.096 288 HA GLN 38 HA GLN 38 5.193 15.761 7.072 289 HB2 GLN 38 HB2 GLN 38 4.893 15.480 4.049 290 HB3 GLN 38 HB3 GLN 38 5.207 14.144 5.140 291 HG2 GLN 38 HG2 GLN 38 2.756 15.922 5.319 292 HG3 GLN 38 HG3 GLN 38 2.817 14.309 4.593 293 HE21 GLN 38 HE21 GLN 38 1.013 14.879 6.648 294 HE22 GLN 38 HE22 GLN 38 1.518 13.989 8.074 295 H LYS 39 H LYS 39 7.223 17.175 4.454 296 HA LYS 39 HA LYS 39 9.363 15.302 4.642 297 HB2 LYS 39 HB2 LYS 39 9.066 18.243 3.916 298 HB3 LYS 39 HB3 LYS 39 10.684 17.611 4.061 299 HG2 LYS 39 HG2 LYS 39 10.524 16.256 2.233 300 HG3 LYS 39 HG3 LYS 39 8.754 16.201 2.179 301 HD2 LYS 39 HD2 LYS 39 8.641 18.408 1.302 302 HD3 LYS 39 HD3 LYS 39 10.279 18.816 1.835 303 HE2 LYS 39 HE2 LYS 39 11.260 17.337 0.160 304 HE3 LYS 39 HE3 LYS 39 9.668 16.799 -0.366 305 HZ1 LYS 39 HZ1 LYS 39 10.482 18.611 -1.819 306 HZ2 LYS 39 HZ2 LYS 39 10.729 19.589 -0.532 307 HZ3 LYS 39 HZ3 LYS 39 9.214 19.185 -0.957 308 H TRP 40 H TRP 40 8.931 18.368 6.462 309 HA TRP 40 HA TRP 40 11.275 17.891 8.100 310 HB2 TRP 40 HB2 TRP 40 9.237 20.028 7.792 311 HB3 TRP 40 HB3 TRP 40 10.033 19.925 9.350 312 HD1 TRP 40 HD1 TRP 40 12.432 20.752 9.599 313 HE1 TRP 40 HE1 TRP 40 14.121 21.942 8.087 314 HE3 TRP 40 HE3 TRP 40 10.122 20.065 5.073 315 HZ2 TRP 40 HZ2 TRP 40 14.477 22.460 5.278 316 HZ3 TRP 40 HZ3 TRP 40 11.165 20.921 2.990 317 HH2 TRP 40 HH2 TRP 40 13.343 22.113 3.078 318 H ARG 41 H ARG 41 8.046 16.732 8.491 319 HA ARG 41 HA ARG 41 8.475 16.070 11.373 320 HB2 ARG 41 HB2 ARG 41 6.169 16.085 9.462 321 HB3 ARG 41 HB3 ARG 41 6.263 14.632 10.419 322 HG2 ARG 41 HG2 ARG 41 4.836 16.094 11.601 323 HG3 ARG 41 HG3 ARG 41 6.325 15.976 12.508 324 HD2 ARG 41 HD2 ARG 41 7.070 18.227 11.507 325 HD3 ARG 41 HD3 ARG 41 5.504 18.297 10.695 326 HE ARG 41 HE ARG 41 4.800 17.796 13.298 327 HH11 ARG 41 HH11 ARG 41 4.531 18.851 14.922 328 HH12 ARG 41 HH12 ARG 41 5.153 20.495 15.166 329 HH21 ARG 41 HH21 ARG 41 6.780 20.450 12.085 330 HH22 ARG 41 HH22 ARG 41 6.515 21.349 13.562 331 H LYS 42 H LYS 42 8.210 14.451 8.260 332 HA LYS 42 HA LYS 42 8.474 11.791 9.410 333 HB2 LYS 42 HB2 LYS 42 6.902 12.808 7.480 334 HB3 LYS 42 HB3 LYS 42 8.255 12.419 6.444 335 HG2 LYS 42 HG2 LYS 42 7.183 10.404 6.298 336 HG3 LYS 42 HG3 LYS 42 7.928 10.030 7.849 337 HD2 LYS 42 HD2 LYS 42 5.151 11.199 7.346 338 HD3 LYS 42 HD3 LYS 42 5.483 9.545 7.825 339 HE2 LYS 42 HE2 LYS 42 6.145 11.979 9.557 340 HE3 LYS 42 HE3 LYS 42 4.609 11.135 9.631 341 HZ1 LYS 42 HZ1 LYS 42 5.768 9.109 10.266 342 HZ2 LYS 42 HZ2 LYS 42 6.157 10.297 11.309 343 HZ3 LYS 42 HZ3 LYS 42 7.230 9.826 10.170 344 H SER 43 H SER 43 10.372 13.750 7.110 345 HA SER 43 HA SER 43 12.608 11.761 7.256 346 HB2 SER 43 HB2 SER 43 11.866 12.273 5.019 347 HB3 SER 43 HB3 SER 43 12.036 14.007 5.308 348 HG SER 43 HG SER 43 14.109 12.043 5.259 349 H GLN 44 H GLN 44 11.662 15.059 8.054 350 HA GLN 44 HA GLN 44 12.448 16.535 9.533 351 HB2 GLN 44 HB2 GLN 44 12.408 14.214 10.786 352 HB3 GLN 44 HB3 GLN 44 14.142 14.489 10.929 353 HG2 GLN 44 HG2 GLN 44 11.826 16.145 12.000 354 HG3 GLN 44 HG3 GLN 44 13.026 15.276 12.921 355 HE21 GLN 44 HE21 GLN 44 12.308 18.257 11.211 356 HE22 GLN 44 HE22 GLN 44 13.857 19.059 11.575 357 H LYS 45 H LYS 45 13.391 17.320 7.533 358 HA LYS 45 HA LYS 45 15.836 16.555 6.504 359 HB2 LYS 45 HB2 LYS 45 14.678 19.319 6.036 360 HB3 LYS 45 HB3 LYS 45 15.609 18.338 4.926 361 HG2 LYS 45 HG2 LYS 45 12.723 17.928 5.803 362 HG3 LYS 45 HG3 LYS 45 13.292 18.449 4.228 363 HD2 LYS 45 HD2 LYS 45 13.742 15.690 5.436 364 HD3 LYS 45 HD3 LYS 45 12.517 16.111 4.234 365 HE2 LYS 45 HE2 LYS 45 14.367 16.826 2.674 366 HE3 LYS 45 HE3 LYS 45 15.536 16.211 3.855 367 HZ1 LYS 45 HZ1 LYS 45 13.437 14.612 2.477 368 HZ2 LYS 45 HZ2 LYS 45 14.393 14.025 3.662 369 HZ3 LYS 45 HZ3 LYS 45 15.057 14.497 2.232 370 H GLU 46 H GLU 46 15.285 19.441 8.492 371 HA GLU 46 HA GLU 46 16.634 21.085 9.308 372 HB2 GLU 46 HB2 GLU 46 18.691 18.865 9.597 373 HB3 GLU 46 HB3 GLU 46 18.700 20.413 10.435 374 HG2 GLU 46 HG2 GLU 46 16.603 18.241 10.768 375 HG3 GLU 46 HG3 GLU 46 17.897 18.632 11.889 376 H GLU 47 H GLU 47 19.361 21.686 9.163 377 HA GLU 47 HA GLU 47 20.194 21.802 6.360 378 HB2 GLU 47 HB2 GLU 47 20.291 24.177 6.170 379 HB3 GLU 47 HB3 GLU 47 18.631 23.706 6.521 380 HG2 GLU 47 HG2 GLU 47 19.007 24.334 8.931 381 HG3 GLU 47 HG3 GLU 47 20.623 24.905 8.499 382 H1 GLY 1 H1 GLY 1 -9.642 36.237 -19.163 383 H2 GLY 1 H2 GLY 1 -8.489 37.393 -19.315 384 H3 GLY 1 H3 GLY 1 -8.059 35.836 -19.037 385 HA2 GLY 1 HA2 GLY 1 -9.368 36.851 -21.479 386 HA3 GLY 1 HA3 GLY 1 -7.661 36.391 -21.341 387 H SER 2 H SER 2 -7.701 34.714 -22.835 388 HA SER 2 HA SER 2 -9.657 32.575 -22.827 389 HB2 SER 2 HB2 SER 2 -8.162 31.553 -24.489 390 HB3 SER 2 HB3 SER 2 -8.524 33.243 -24.867 391 HG SER 2 HG SER 2 -6.291 32.751 -25.113 392 H HIS 3 H HIS 3 -9.126 30.299 -22.551 393 HA HIS 3 HA HIS 3 -6.921 29.541 -20.773 394 HB2 HIS 3 HB2 HIS 3 -8.808 30.410 -19.299 395 HB3 HIS 3 HB3 HIS 3 -9.802 29.086 -19.897 396 HD1 HIS 3 HD1 HIS 3 -9.234 26.620 -18.818 397 HD2 HIS 3 HD2 HIS 3 -6.713 29.820 -17.694 398 HE1 HIS 3 HE1 HIS 3 -7.774 25.755 -16.939 399 H MET 4 H MET 4 -6.760 27.188 -20.519 400 HA MET 4 HA MET 4 -8.383 25.489 -22.272 401 HB2 MET 4 HB2 MET 4 -6.512 24.510 -23.460 402 HB3 MET 4 HB3 MET 4 -6.635 26.234 -23.801 403 HG2 MET 4 HG2 MET 4 -4.783 26.663 -22.174 404 HG3 MET 4 HG3 MET 4 -4.675 24.930 -21.868 405 HE1 MET 4 HE1 MET 4 -3.355 27.066 -25.767 406 HE2 MET 4 HE2 MET 4 -5.072 26.967 -25.335 407 HE3 MET 4 HE3 MET 4 -3.946 27.878 -24.301 408 H GLU 5 H GLU 5 -8.393 23.332 -21.702 409 HA GLU 5 HA GLU 5 -7.668 22.895 -18.870 410 HB2 GLU 5 HB2 GLU 5 -9.432 21.161 -20.600 411 HB3 GLU 5 HB3 GLU 5 -9.347 21.225 -18.845 412 HG2 GLU 5 HG2 GLU 5 -10.587 23.219 -20.747 413 HG3 GLU 5 HG3 GLU 5 -11.353 22.344 -19.427 414 H TYR 6 H TYR 6 -7.125 20.659 -18.163 415 HA TYR 6 HA TYR 6 -4.716 19.715 -19.483 416 HB2 TYR 6 HB2 TYR 6 -6.295 18.779 -17.070 417 HB3 TYR 6 HB3 TYR 6 -4.888 17.930 -17.670 418 HD1 TYR 6 HD1 TYR 6 -4.496 21.585 -17.947 419 HD2 TYR 6 HD2 TYR 6 -4.156 18.198 -15.293 420 HE1 TYR 6 HE1 TYR 6 -2.924 22.838 -16.517 421 HE2 TYR 6 HE2 TYR 6 -2.529 19.397 -13.929 422 HH TYR 6 HH TYR 6 -1.653 22.824 -14.644 423 H ASP 7 H ASP 7 -4.291 17.698 -20.307 424 HA ASP 7 HA ASP 7 -6.561 16.063 -21.350 425 HB2 ASP 7 HB2 ASP 7 -5.572 16.157 -23.548 426 HB3 ASP 7 HB3 ASP 7 -5.850 17.790 -22.957 427 H GLY 8 H GLY 8 -4.315 15.703 -19.257 428 HA2 GLY 8 HA2 GLY 8 -3.515 13.376 -18.687 429 HA3 GLY 8 HA3 GLY 8 -2.913 13.282 -20.345 430 H GLN 9 H GLN 9 -2.031 16.153 -20.330 431 HA GLN 9 HA GLN 9 0.585 15.980 -19.179 432 HB2 GLN 9 HB2 GLN 9 -0.016 17.304 -21.134 433 HB3 GLN 9 HB3 GLN 9 -1.055 18.349 -20.185 434 HG2 GLN 9 HG2 GLN 9 1.898 18.102 -19.483 435 HG3 GLN 9 HG3 GLN 9 1.410 19.022 -20.893 436 HE21 GLN 9 HE21 GLN 9 2.660 20.661 -19.410 437 HE22 GLN 9 HE22 GLN 9 1.593 21.638 -18.410 438 H LEU 10 H LEU 10 1.489 17.209 -17.480 439 HA LEU 10 HA LEU 10 -0.293 18.441 -15.474 440 HB2 LEU 10 HB2 LEU 10 0.211 16.074 -14.798 441 HB3 LEU 10 HB3 LEU 10 1.934 16.464 -14.771 442 HG LEU 10 HG LEU 10 0.790 16.205 -12.648 443 HD11 LEU 10 HD11 LEU 10 1.893 17.706 -11.485 444 HD12 LEU 10 HD12 LEU 10 1.503 19.069 -12.569 445 HD13 LEU 10 HD13 LEU 10 2.749 17.879 -13.029 446 HD21 LEU 10 HD21 LEU 10 -0.630 18.818 -13.178 447 HD22 LEU 10 HD22 LEU 10 -0.985 17.610 -11.938 448 HD23 LEU 10 HD23 LEU 10 -1.356 17.251 -13.614 449 H ASP 11 H ASP 11 0.524 20.323 -14.644 450 HA ASP 11 HA ASP 11 2.713 21.593 -15.920 451 HB2 ASP 11 HB2 ASP 11 0.633 22.435 -14.398 452 HB3 ASP 11 HB3 ASP 11 1.876 22.461 -13.182 453 H SER 12 H SER 12 4.879 21.712 -15.463 454 HA SER 12 HA SER 12 6.083 19.682 -13.964 455 HB2 SER 12 HB2 SER 12 7.341 22.334 -14.641 456 HB3 SER 12 HB3 SER 12 8.169 20.787 -14.325 457 HG SER 12 HG SER 12 7.294 19.956 -16.221 458 H GLU 13 H GLU 13 5.048 22.808 -12.830 459 HA GLU 13 HA GLU 13 6.450 23.032 -10.363 460 HB2 GLU 13 HB2 GLU 13 3.736 23.999 -11.334 461 HB3 GLU 13 HB3 GLU 13 4.386 24.443 -9.767 462 HG2 GLU 13 HG2 GLU 13 5.752 24.984 -12.438 463 HG3 GLU 13 HG3 GLU 13 4.749 26.145 -11.576 464 H TRP 14 H TRP 14 3.579 21.093 -11.174 465 HA TRP 14 HA TRP 14 3.252 20.382 -8.306 466 HB2 TRP 14 HB2 TRP 14 1.321 19.352 -10.282 467 HB3 TRP 14 HB3 TRP 14 1.106 19.890 -8.627 468 HD1 TRP 14 HD1 TRP 14 0.154 20.852 -11.927 469 HE1 TRP 14 HE1 TRP 14 -0.242 23.378 -12.213 470 HE3 TRP 14 HE3 TRP 14 2.132 22.510 -7.501 471 HZ2 TRP 14 HZ2 TRP 14 0.350 25.813 -10.778 472 HZ3 TRP 14 HZ3 TRP 14 2.201 24.940 -6.979 473 HH2 TRP 14 HH2 TRP 14 1.339 26.600 -8.616 474 H GLU 15 H GLU 15 4.123 18.977 -11.391 475 HA GLU 15 HA GLU 15 4.441 16.236 -10.714 476 HB2 GLU 15 HB2 GLU 15 4.769 16.822 -12.973 477 HB3 GLU 15 HB3 GLU 15 5.884 18.134 -12.561 478 HG2 GLU 15 HG2 GLU 15 7.592 16.554 -11.865 479 HG3 GLU 15 HG3 GLU 15 6.520 15.187 -12.219 480 H LYS 16 H LYS 16 6.717 18.978 -10.317 481 HA LYS 16 HA LYS 16 8.759 17.353 -9.108 482 HB2 LYS 16 HB2 LYS 16 9.901 19.388 -8.513 483 HB3 LYS 16 HB3 LYS 16 9.288 19.423 -10.161 484 HG2 LYS 16 HG2 LYS 16 8.643 21.473 -9.640 485 HG3 LYS 16 HG3 LYS 16 7.233 20.668 -8.969 486 HD2 LYS 16 HD2 LYS 16 8.251 20.711 -6.707 487 HD3 LYS 16 HD3 LYS 16 9.708 21.473 -7.352 488 HE2 LYS 16 HE2 LYS 16 6.914 22.677 -7.551 489 HE3 LYS 16 HE3 LYS 16 8.029 23.050 -6.240 490 HZ1 LYS 16 HZ1 LYS 16 9.442 24.186 -7.699 491 HZ2 LYS 16 HZ2 LYS 16 7.964 24.571 -8.328 492 HZ3 LYS 16 HZ3 LYS 16 8.874 23.442 -9.041 493 H LEU 17 H LEU 17 5.995 18.893 -7.653 494 HA LEU 17 HA LEU 17 6.776 18.536 -4.875 495 HB2 LEU 17 HB2 LEU 17 4.045 18.851 -6.171 496 HB3 LEU 17 HB3 LEU 17 4.327 18.943 -4.451 497 HG LEU 17 HG LEU 17 5.684 20.808 -6.428 498 HD11 LEU 17 HD11 LEU 17 4.008 22.374 -6.114 499 HD12 LEU 17 HD12 LEU 17 3.328 21.545 -4.696 500 HD13 LEU 17 HD13 LEU 17 3.094 20.870 -6.329 501 HD21 LEU 17 HD21 LEU 17 5.918 22.225 -4.382 502 HD22 LEU 17 HD22 LEU 17 6.852 20.722 -4.305 503 HD23 LEU 17 HD23 LEU 17 5.317 20.848 -3.419 504 H VAL 18 H VAL 18 4.626 16.612 -7.096 505 HA VAL 18 HA VAL 18 4.237 14.552 -5.088 506 HB VAL 18 HB VAL 18 2.693 14.832 -6.931 507 HG11 VAL 18 HG11 VAL 18 4.990 13.908 -8.687 508 HG12 VAL 18 HG12 VAL 18 3.274 13.766 -9.151 509 HG13 VAL 18 HG13 VAL 18 3.997 15.355 -8.786 510 HG21 VAL 18 HG21 VAL 18 2.313 12.518 -7.458 511 HG22 VAL 18 HG22 VAL 18 3.939 12.043 -6.925 512 HG23 VAL 18 HG23 VAL 18 2.785 12.674 -5.752 513 H ARG 19 H ARG 19 6.636 14.740 -7.760 514 HA ARG 19 HA ARG 19 7.898 12.221 -7.242 515 HB2 ARG 19 HB2 ARG 19 8.949 14.876 -8.351 516 HB3 ARG 19 HB3 ARG 19 9.866 13.341 -8.355 517 HG2 ARG 19 HG2 ARG 19 7.748 12.497 -9.686 518 HG3 ARG 19 HG3 ARG 19 7.489 14.162 -10.053 519 HD2 ARG 19 HD2 ARG 19 10.203 12.881 -10.551 520 HD3 ARG 19 HD3 ARG 19 8.852 12.617 -11.638 521 HE ARG 19 HE ARG 19 9.032 14.756 -12.477 522 HH11 ARG 19 HH11 ARG 19 9.930 16.541 -12.971 523 HH12 ARG 19 HH12 ARG 19 11.203 17.266 -11.991 524 HH21 ARG 19 HH21 ARG 19 11.176 14.683 -9.691 525 HH22 ARG 19 HH22 ARG 19 11.888 16.207 -10.138 526 H ASP 20 H ASP 20 8.569 15.480 -5.898 527 HA ASP 20 HA ASP 20 10.638 14.798 -4.077 528 HB2 ASP 20 HB2 ASP 20 8.494 16.894 -4.294 529 HB3 ASP 20 HB3 ASP 20 9.244 16.692 -2.729 530 H ALA 21 H ALA 21 7.041 14.586 -3.594 531 HA ALA 21 HA ALA 21 7.270 13.756 -0.862 532 HB1 ALA 21 HB1 ALA 21 4.946 12.955 -1.160 533 HB2 ALA 21 HB2 ALA 21 5.192 14.581 -1.813 534 HB3 ALA 21 HB3 ALA 21 5.085 13.183 -2.910 535 H MET 22 H MET 22 7.124 11.868 -3.903 536 HA MET 22 HA MET 22 7.194 9.324 -2.661 537 HB2 MET 22 HB2 MET 22 8.292 10.038 -5.390 538 HB3 MET 22 HB3 MET 22 7.904 8.432 -4.778 539 HG2 MET 22 HG2 MET 22 6.173 10.337 -6.089 540 HG3 MET 22 HG3 MET 22 6.006 8.676 -5.870 541 HE1 MET 22 HE1 MET 22 4.952 7.517 -4.024 542 HE2 MET 22 HE2 MET 22 5.342 8.301 -2.477 543 HE3 MET 22 HE3 MET 22 3.649 8.157 -3.009 544 H THR 23 H THR 23 9.953 11.381 -3.782 545 HA THR 23 HA THR 23 11.921 9.424 -2.905 546 HB THR 23 HB THR 23 13.595 11.134 -3.395 547 HG1 THR 23 HG1 THR 23 12.947 13.099 -4.243 548 HG21 THR 23 HG21 THR 23 13.208 11.320 -5.804 549 HG22 THR 23 HG22 THR 23 11.499 10.880 -5.589 550 HG23 THR 23 HG23 THR 23 12.776 9.707 -5.213 551 H SER 24 H SER 24 10.551 12.347 -1.361 552 HA SER 24 HA SER 24 12.446 12.177 0.824 553 HB2 SER 24 HB2 SER 24 11.466 14.318 -0.039 554 HB3 SER 24 HB3 SER 24 9.962 13.909 0.797 555 HG SER 24 HG SER 24 11.210 13.675 2.718 556 H GLY 25 H GLY 25 10.017 10.077 0.213 557 HA2 GLY 25 HA2 GLY 25 9.020 8.454 1.500 558 HA3 GLY 25 HA3 GLY 25 10.017 8.977 2.862 559 H VAL 26 H VAL 26 7.830 11.228 1.302 560 HA VAL 26 HA VAL 26 6.375 11.863 3.736 561 HB VAL 26 HB VAL 26 6.111 12.651 0.836 562 HG11 VAL 26 HG11 VAL 26 4.289 13.481 3.056 563 HG12 VAL 26 HG12 VAL 26 4.604 14.505 1.637 564 HG13 VAL 26 HG13 VAL 26 3.885 12.896 1.438 565 HG21 VAL 26 HG21 VAL 26 8.044 13.551 2.091 566 HG22 VAL 26 HG22 VAL 26 6.893 14.839 1.732 567 HG23 VAL 26 HG23 VAL 26 6.958 14.142 3.358 568 H SER 27 H SER 27 4.239 11.440 4.272 569 HA SER 27 HA SER 27 3.350 8.847 3.964 570 HB2 SER 27 HB2 SER 27 1.709 11.297 4.637 571 HB3 SER 27 HB3 SER 27 1.216 9.617 4.937 572 HG SER 27 HG SER 27 2.900 9.402 6.395 573 H LYS 28 H LYS 28 2.878 7.885 2.094 574 HA LYS 28 HA LYS 28 1.948 9.147 -0.238 575 HB2 LYS 28 HB2 LYS 28 1.518 6.193 0.407 576 HB3 LYS 28 HB3 LYS 28 1.731 6.929 -1.182 577 HG2 LYS 28 HG2 LYS 28 4.103 7.468 -0.592 578 HG3 LYS 28 HG3 LYS 28 3.869 6.689 0.983 579 HD2 LYS 28 HD2 LYS 28 3.177 4.581 -0.253 580 HD3 LYS 28 HD3 LYS 28 3.745 5.339 -1.745 581 HE2 LYS 28 HE2 LYS 28 5.449 4.930 0.763 582 HE3 LYS 28 HE3 LYS 28 5.369 3.774 -0.569 583 HZ1 LYS 28 HZ1 LYS 28 6.305 6.573 -0.861 584 HZ2 LYS 28 HZ2 LYS 28 6.229 5.439 -2.062 585 HZ3 LYS 28 HZ3 LYS 28 7.264 5.248 -0.815 586 H LYS 29 H LYS 29 0.086 7.535 2.294 587 HA LYS 29 HA LYS 29 -2.494 7.638 1.090 588 HB2 LYS 29 HB2 LYS 29 -3.314 7.264 3.366 589 HB3 LYS 29 HB3 LYS 29 -1.951 6.225 2.964 590 HG2 LYS 29 HG2 LYS 29 -0.644 8.358 4.154 591 HG3 LYS 29 HG3 LYS 29 -2.176 8.395 5.012 592 HD2 LYS 29 HD2 LYS 29 -0.303 6.009 4.715 593 HD3 LYS 29 HD3 LYS 29 -0.439 7.036 6.152 594 HE2 LYS 29 HE2 LYS 29 -2.820 6.359 6.426 595 HE3 LYS 29 HE3 LYS 29 -2.688 5.311 5.007 596 HZ1 LYS 29 HZ1 LYS 29 -2.373 4.057 7.060 597 HZ2 LYS 29 HZ2 LYS 29 -1.114 4.992 7.510 598 HZ3 LYS 29 HZ3 LYS 29 -0.989 4.026 6.198 599 H GLN 30 H GLN 30 -0.745 10.129 2.922 600 HA GLN 30 HA GLN 30 -3.008 11.816 3.438 601 HB2 GLN 30 HB2 GLN 30 -0.036 12.435 3.200 602 HB3 GLN 30 HB3 GLN 30 -1.243 13.622 3.660 603 HG2 GLN 30 HG2 GLN 30 -0.670 11.046 5.182 604 HG3 GLN 30 HG3 GLN 30 -0.044 12.644 5.598 605 HE21 GLN 30 HE21 GLN 30 -1.771 10.818 7.227 606 HE22 GLN 30 HE22 GLN 30 -3.199 11.789 7.561 607 H PHE 31 H PHE 31 -0.952 11.479 0.577 608 HA PHE 31 HA PHE 31 -1.717 13.874 -0.798 609 HB2 PHE 31 HB2 PHE 31 -0.477 11.276 -1.473 610 HB3 PHE 31 HB3 PHE 31 -1.509 11.885 -2.744 611 HD1 PHE 31 HD1 PHE 31 1.128 13.237 -0.388 612 HD2 PHE 31 HD2 PHE 31 -0.565 13.210 -4.364 613 HE1 PHE 31 HE1 PHE 31 2.892 14.772 -1.154 614 HE2 PHE 31 HE2 PHE 31 1.250 14.706 -5.134 615 HZ PHE 31 HZ PHE 31 2.950 15.539 -3.530 616 H ARG 32 H ARG 32 -3.237 10.616 -0.916 617 HA ARG 32 HA ARG 32 -5.479 11.482 -2.504 618 HB2 ARG 32 HB2 ARG 32 -4.767 9.145 -2.482 619 HB3 ARG 32 HB3 ARG 32 -5.012 9.049 -0.740 620 HG2 ARG 32 HG2 ARG 32 -6.848 7.943 -1.875 621 HG3 ARG 32 HG3 ARG 32 -7.450 9.350 -1.035 622 HD2 ARG 32 HD2 ARG 32 -7.160 10.563 -3.386 623 HD3 ARG 32 HD3 ARG 32 -7.134 8.940 -4.034 624 HE ARG 32 HE ARG 32 -9.400 10.421 -2.879 625 HH11 ARG 32 HH11 ARG 32 -8.400 7.195 -3.877 626 HH12 ARG 32 HH12 ARG 32 -10.034 6.597 -3.811 627 HH21 ARG 32 HH21 ARG 32 -11.322 9.547 -2.576 628 HH22 ARG 32 HH22 ARG 32 -11.692 7.929 -3.156 629 H GLU 33 H GLU 33 -5.214 10.879 1.010 630 HA GLU 33 HA GLU 33 -7.927 11.564 1.548 631 HB2 GLU 33 HB2 GLU 33 -5.652 11.966 3.490 632 HB3 GLU 33 HB3 GLU 33 -7.370 11.787 3.843 633 HG2 GLU 33 HG2 GLU 33 -5.372 9.733 3.112 634 HG3 GLU 33 HG3 GLU 33 -6.529 9.725 4.432 635 H PHE 34 H PHE 34 -5.048 13.752 1.526 636 HA PHE 34 HA PHE 34 -6.571 16.079 2.194 637 HB2 PHE 34 HB2 PHE 34 -4.054 15.690 2.401 638 HB3 PHE 34 HB3 PHE 34 -3.950 16.093 0.689 639 HD1 PHE 34 HD1 PHE 34 -4.320 17.298 4.096 640 HD2 PHE 34 HD2 PHE 34 -4.706 18.467 -0.042 641 HE1 PHE 34 HE1 PHE 34 -4.329 19.690 4.767 642 HE2 PHE 34 HE2 PHE 34 -4.820 20.829 0.645 643 HZ PHE 34 HZ PHE 34 -4.578 21.463 3.043 644 H LEU 35 H LEU 35 -5.754 14.564 -0.964 645 HA LEU 35 HA LEU 35 -6.814 16.565 -2.667 646 HB2 LEU 35 HB2 LEU 35 -6.010 13.801 -2.919 647 HB3 LEU 35 HB3 LEU 35 -7.600 13.927 -3.620 648 HG LEU 35 HG LEU 35 -6.018 14.194 -5.344 649 HD11 LEU 35 HD11 LEU 35 -6.848 17.048 -4.861 650 HD12 LEU 35 HD12 LEU 35 -8.039 15.792 -5.248 651 HD13 LEU 35 HD13 LEU 35 -6.731 16.126 -6.378 652 HD21 LEU 35 HD21 LEU 35 -4.265 15.825 -5.348 653 HD22 LEU 35 HD22 LEU 35 -4.103 14.787 -3.936 654 HD23 LEU 35 HD23 LEU 35 -4.749 16.428 -3.738 655 H ASP 36 H ASP 36 -8.549 13.754 -1.188 656 HA ASP 36 HA ASP 36 -11.124 14.539 -2.132 657 HB2 ASP 36 HB2 ASP 36 -10.329 12.816 0.227 658 HB3 ASP 36 HB3 ASP 36 -11.998 13.104 -0.251 659 H TYR 37 H TYR 37 -9.472 15.346 0.970 660 HA TYR 37 HA TYR 37 -11.557 16.866 2.132 661 HB2 TYR 37 HB2 TYR 37 -9.788 16.450 3.517 662 HB3 TYR 37 HB3 TYR 37 -8.571 16.867 2.324 663 HD1 TYR 37 HD1 TYR 37 -11.471 18.733 3.867 664 HD2 TYR 37 HD2 TYR 37 -7.241 18.639 3.020 665 HE1 TYR 37 HE1 TYR 37 -11.254 21.059 4.694 666 HE2 TYR 37 HE2 TYR 37 -7.012 20.944 3.946 667 HH TYR 37 HH TYR 37 -9.852 22.894 4.850 668 H GLN 38 H GLN 38 -8.920 18.164 -0.031 669 HA GLN 38 HA GLN 38 -10.194 20.754 -0.151 670 HB2 GLN 38 HB2 GLN 38 -8.108 19.478 -1.957 671 HB3 GLN 38 HB3 GLN 38 -8.744 21.103 -2.182 672 HG2 GLN 38 HG2 GLN 38 -7.388 20.191 0.384 673 HG3 GLN 38 HG3 GLN 38 -6.566 21.009 -0.957 674 HE21 GLN 38 HE21 GLN 38 -7.810 21.701 2.018 675 HE22 GLN 38 HE22 GLN 38 -8.177 23.390 1.711 676 H LYS 39 H LYS 39 -10.537 17.881 -2.295 677 HA LYS 39 HA LYS 39 -12.004 19.107 -4.411 678 HB2 LYS 39 HB2 LYS 39 -11.842 16.334 -3.197 679 HB3 LYS 39 HB3 LYS 39 -13.098 16.655 -4.376 680 HG2 LYS 39 HG2 LYS 39 -11.639 17.013 -6.107 681 HG3 LYS 39 HG3 LYS 39 -10.208 17.265 -5.103 682 HD2 LYS 39 HD2 LYS 39 -10.050 14.937 -4.623 683 HD3 LYS 39 HD3 LYS 39 -11.727 14.622 -5.108 684 HE2 LYS 39 HE2 LYS 39 -11.218 15.014 -7.445 685 HE3 LYS 39 HE3 LYS 39 -9.573 15.514 -7.073 686 HZ1 LYS 39 HZ1 LYS 39 -9.212 13.210 -6.190 687 HZ2 LYS 39 HZ2 LYS 39 -9.625 13.153 -7.769 688 HZ3 LYS 39 HZ3 LYS 39 -10.728 12.793 -6.620 689 H TRP 40 H TRP 40 -13.243 17.533 -1.445 690 HA TRP 40 HA TRP 40 -15.963 18.378 -2.036 691 HB2 TRP 40 HB2 TRP 40 -14.628 16.641 -0.026 692 HB3 TRP 40 HB3 TRP 40 -16.212 17.292 0.374 693 HD1 TRP 40 HD1 TRP 40 -18.292 16.509 -0.938 694 HE1 TRP 40 HE1 TRP 40 -18.804 14.726 -2.678 695 HE3 TRP 40 HE3 TRP 40 -13.513 15.013 -2.038 696 HZ2 TRP 40 HZ2 TRP 40 -17.367 12.787 -4.246 697 HZ3 TRP 40 HZ3 TRP 40 -13.115 13.185 -3.663 698 HH2 TRP 40 HH2 TRP 40 -15.032 12.073 -4.789 699 H ARG 41 H ARG 41 -13.430 20.057 -0.387 700 HA ARG 41 HA ARG 41 -15.400 21.920 0.866 701 HB2 ARG 41 HB2 ARG 41 -12.467 21.408 1.099 702 HB3 ARG 41 HB3 ARG 41 -12.870 23.094 0.986 703 HG2 ARG 41 HG2 ARG 41 -12.794 22.566 3.297 704 HG3 ARG 41 HG3 ARG 41 -14.459 22.898 2.865 705 HD2 ARG 41 HD2 ARG 41 -14.893 20.374 2.779 706 HD3 ARG 41 HD3 ARG 41 -13.224 20.143 3.319 707 HE ARG 41 HE ARG 41 -14.192 21.922 5.169 708 HH11 ARG 41 HH11 ARG 41 -15.561 18.797 4.275 709 HH12 ARG 41 HH12 ARG 41 -16.502 18.771 5.750 710 HH21 ARG 41 HH21 ARG 41 -15.271 21.814 6.824 711 HH22 ARG 41 HH22 ARG 41 -16.282 20.428 7.275 712 H LYS 42 H LYS 42 -12.993 21.953 -1.737 713 HA LYS 42 HA LYS 42 -13.585 24.680 -2.595 714 HB2 LYS 42 HB2 LYS 42 -11.845 22.482 -3.824 715 HB3 LYS 42 HB3 LYS 42 -11.892 24.155 -4.356 716 HG2 LYS 42 HG2 LYS 42 -10.885 23.179 -1.643 717 HG3 LYS 42 HG3 LYS 42 -9.928 23.701 -3.017 718 HD2 LYS 42 HD2 LYS 42 -9.842 25.605 -1.787 719 HD3 LYS 42 HD3 LYS 42 -11.274 25.972 -2.750 720 HE2 LYS 42 HE2 LYS 42 -12.688 25.122 -0.816 721 HE3 LYS 42 HE3 LYS 42 -11.204 24.855 0.105 722 HZ1 LYS 42 HZ1 LYS 42 -12.201 27.006 0.636 723 HZ2 LYS 42 HZ2 LYS 42 -12.122 27.494 -0.918 724 HZ3 LYS 42 HZ3 LYS 42 -10.747 27.245 -0.069 725 H SER 43 H SER 43 -14.084 21.478 -4.157 726 HA SER 43 HA SER 43 -15.748 22.789 -6.250 727 HB2 SER 43 HB2 SER 43 -13.967 21.188 -6.901 728 HB3 SER 43 HB3 SER 43 -14.827 19.907 -6.033 729 HG SER 43 HG SER 43 -15.703 21.398 -8.294 730 H GLN 44 H GLN 44 -16.016 20.471 -3.570 731 HA GLN 44 HA GLN 44 -17.773 19.677 -2.407 732 HB2 GLN 44 HB2 GLN 44 -18.040 22.308 -2.380 733 HB3 GLN 44 HB3 GLN 44 -19.537 21.968 -3.227 734 HG2 GLN 44 HG2 GLN 44 -18.686 21.083 -0.442 735 HG3 GLN 44 HG3 GLN 44 -19.948 22.205 -0.854 736 HE21 GLN 44 HE21 GLN 44 -19.091 18.767 -0.639 737 HE22 GLN 44 HE22 GLN 44 -20.743 18.191 -0.834 738 H LYS 45 H LYS 45 -17.451 18.388 -4.746 739 HA LYS 45 HA LYS 45 -19.706 18.077 -6.428 740 HB2 LYS 45 HB2 LYS 45 -17.368 16.302 -5.644 741 HB3 LYS 45 HB3 LYS 45 -18.581 15.754 -6.808 742 HG2 LYS 45 HG2 LYS 45 -18.024 17.313 -8.412 743 HG3 LYS 45 HG3 LYS 45 -17.392 18.488 -7.258 744 HD2 LYS 45 HD2 LYS 45 -15.351 17.294 -6.947 745 HD3 LYS 45 HD3 LYS 45 -15.955 15.874 -7.843 746 HE2 LYS 45 HE2 LYS 45 -16.171 17.247 -9.894 747 HE3 LYS 45 HE3 LYS 45 -15.579 18.664 -9.020 748 HZ1 LYS 45 HZ1 LYS 45 -13.827 17.546 -10.301 749 HZ2 LYS 45 HZ2 LYS 45 -14.001 16.180 -9.420 750 HZ3 LYS 45 HZ3 LYS 45 -13.468 17.567 -8.706 751 H GLU 46 H GLU 46 -21.499 16.879 -6.436 752 HA GLU 46 HA GLU 46 -22.439 15.775 -3.874 753 HB2 GLU 46 HB2 GLU 46 -23.842 16.134 -6.554 754 HB3 GLU 46 HB3 GLU 46 -24.614 15.620 -5.046 755 HG2 GLU 46 HG2 GLU 46 -23.858 17.773 -3.981 756 HG3 GLU 46 HG3 GLU 46 -23.318 18.323 -5.573 757 H GLU 47 H GLU 47 -20.714 14.424 -6.359 758 HA GLU 47 HA GLU 47 -22.010 11.979 -6.994 759 HB2 GLU 47 HB2 GLU 47 -20.208 13.017 -8.311 760 HB3 GLU 47 HB3 GLU 47 -19.067 12.734 -7.005 761 HG2 GLU 47 HG2 GLU 47 -18.741 11.107 -8.761 762 HG3 GLU 47 HG3 GLU 47 -19.259 10.306 -7.288 763 H1 GLY 1 H1 GLY 1 -17.645 0.987 23.068 764 H2 GLY 1 H2 GLY 1 -17.522 0.981 21.435 765 H3 GLY 1 H3 GLY 1 -18.970 0.693 22.148 766 HA2 GLY 1 HA2 GLY 1 -18.946 2.919 21.257 767 HA3 GLY 1 HA3 GLY 1 -19.053 2.933 23.027 768 H SER 2 H SER 2 -18.181 5.086 23.004 769 HA SER 2 HA SER 2 -15.698 5.845 21.870 770 HB2 SER 2 HB2 SER 2 -17.066 6.998 24.328 771 HB3 SER 2 HB3 SER 2 -15.849 7.801 23.317 772 HG SER 2 HG SER 2 -18.003 8.416 22.767 773 H HIS 3 H HIS 3 -13.627 6.135 22.701 774 HA HIS 3 HA HIS 3 -12.692 4.234 24.664 775 HB2 HIS 3 HB2 HIS 3 -10.491 5.302 24.254 776 HB3 HIS 3 HB3 HIS 3 -11.312 4.775 22.797 777 HD1 HIS 3 HD1 HIS 3 -12.211 8.206 24.306 778 HD2 HIS 3 HD2 HIS 3 -10.002 6.434 21.195 779 HE1 HIS 3 HE1 HIS 3 -11.471 10.111 22.779 780 H MET 4 H MET 4 -11.564 4.643 26.606 781 HA MET 4 HA MET 4 -12.785 6.517 28.393 782 HB2 MET 4 HB2 MET 4 -10.309 4.780 28.790 783 HB3 MET 4 HB3 MET 4 -11.249 5.577 30.051 784 HG2 MET 4 HG2 MET 4 -12.029 3.418 30.151 785 HG3 MET 4 HG3 MET 4 -13.272 4.236 29.211 786 HE1 MET 4 HE1 MET 4 -14.293 1.932 28.473 787 HE2 MET 4 HE2 MET 4 -13.346 0.593 27.788 788 HE3 MET 4 HE3 MET 4 -13.077 1.099 29.470 789 H GLU 5 H GLU 5 -10.427 7.238 26.146 790 HA GLU 5 HA GLU 5 -8.605 8.851 27.675 791 HB2 GLU 5 HB2 GLU 5 -9.214 9.021 24.701 792 HB3 GLU 5 HB3 GLU 5 -7.766 9.587 25.515 793 HG2 GLU 5 HG2 GLU 5 -8.637 6.717 25.064 794 HG3 GLU 5 HG3 GLU 5 -7.250 7.543 24.371 795 H TYR 6 H TYR 6 -11.817 9.551 27.182 796 HA TYR 6 HA TYR 6 -11.360 12.402 27.759 797 HB2 TYR 6 HB2 TYR 6 -11.693 12.054 25.219 798 HB3 TYR 6 HB3 TYR 6 -13.351 11.631 25.605 799 HD1 TYR 6 HD1 TYR 6 -14.958 13.401 26.244 800 HD2 TYR 6 HD2 TYR 6 -10.775 14.294 25.686 801 HE1 TYR 6 HE1 TYR 6 -15.463 15.835 26.270 802 HE2 TYR 6 HE2 TYR 6 -11.320 16.717 25.504 803 HH TYR 6 HH TYR 6 -14.417 17.911 26.675 804 H ASP 7 H ASP 7 -13.011 13.385 28.939 805 HA ASP 7 HA ASP 7 -15.420 11.886 29.712 806 HB2 ASP 7 HB2 ASP 7 -13.561 10.965 31.128 807 HB3 ASP 7 HB3 ASP 7 -13.306 12.576 31.793 808 H GLY 8 H GLY 8 -15.572 14.085 28.314 809 HA2 GLY 8 HA2 GLY 8 -16.756 16.083 28.230 810 HA3 GLY 8 HA3 GLY 8 -16.903 16.062 29.985 811 H GLN 9 H GLN 9 -14.233 16.029 30.725 812 HA GLN 9 HA GLN 9 -13.344 18.745 30.578 813 HB2 GLN 9 HB2 GLN 9 -12.958 17.230 32.461 814 HB3 GLN 9 HB3 GLN 9 -12.038 16.132 31.443 815 HG2 GLN 9 HG2 GLN 9 -10.875 18.842 31.374 816 HG3 GLN 9 HG3 GLN 9 -11.085 18.297 33.026 817 HE21 GLN 9 HE21 GLN 9 -10.138 16.355 30.069 818 HE22 GLN 9 HE22 GLN 9 -8.627 15.829 30.810 819 H LEU 10 H LEU 10 -12.205 19.762 28.953 820 HA LEU 10 HA LEU 10 -10.788 18.224 26.942 821 HB2 LEU 10 HB2 LEU 10 -11.891 20.492 26.587 822 HB3 LEU 10 HB3 LEU 10 -10.502 21.213 27.399 823 HG LEU 10 HG LEU 10 -10.583 21.315 24.944 824 HD11 LEU 10 HD11 LEU 10 -8.404 21.230 26.287 825 HD12 LEU 10 HD12 LEU 10 -8.390 21.087 24.520 826 HD13 LEU 10 HD13 LEU 10 -8.189 19.640 25.540 827 HD21 LEU 10 HD21 LEU 10 -11.485 18.777 24.974 828 HD22 LEU 10 HD22 LEU 10 -9.791 18.458 24.594 829 HD23 LEU 10 HD23 LEU 10 -10.802 19.524 23.588 830 H ASP 11 H ASP 11 -8.822 17.520 26.936 831 HA ASP 11 HA ASP 11 -7.194 17.543 29.256 832 HB2 ASP 11 HB2 ASP 11 -7.416 15.961 27.056 833 HB3 ASP 11 HB3 ASP 11 -6.069 16.969 26.553 834 H SER 12 H SER 12 -5.269 18.634 29.762 835 HA SER 12 HA SER 12 -5.072 21.340 28.945 836 HB2 SER 12 HB2 SER 12 -3.086 21.388 30.293 837 HB3 SER 12 HB3 SER 12 -4.350 20.393 31.065 838 HG SER 12 HG SER 12 -2.284 19.390 31.175 839 H GLU 13 H GLU 13 -3.512 18.512 27.670 840 HA GLU 13 HA GLU 13 -1.480 19.660 26.052 841 HB2 GLU 13 HB2 GLU 13 -3.128 17.106 25.904 842 HB3 GLU 13 HB3 GLU 13 -1.825 17.432 24.776 843 HG2 GLU 13 HG2 GLU 13 -1.526 17.309 27.807 844 HG3 GLU 13 HG3 GLU 13 -1.204 15.963 26.718 845 H TRP 14 H TRP 14 -4.947 19.374 25.436 846 HA TRP 14 HA TRP 14 -4.503 20.272 22.640 847 HB2 TRP 14 HB2 TRP 14 -7.222 19.526 23.492 848 HB3 TRP 14 HB3 TRP 14 -6.385 19.290 21.966 849 HD1 TRP 14 HD1 TRP 14 -7.799 17.343 24.543 850 HE1 TRP 14 HE1 TRP 14 -6.658 15.064 24.936 851 HE3 TRP 14 HE3 TRP 14 -3.560 18.028 21.756 852 HZ2 TRP 14 HZ2 TRP 14 -4.258 13.709 24.125 853 HZ3 TRP 14 HZ3 TRP 14 -1.880 16.214 21.546 854 HH2 TRP 14 HH2 TRP 14 -2.207 14.057 22.736 855 H GLU 15 H GLU 15 -5.995 21.301 25.619 856 HA GLU 15 HA GLU 15 -7.206 23.756 24.911 857 HB2 GLU 15 HB2 GLU 15 -7.429 22.920 27.125 858 HB3 GLU 15 HB3 GLU 15 -5.702 22.682 27.295 859 HG2 GLU 15 HG2 GLU 15 -6.417 24.443 28.692 860 HG3 GLU 15 HG3 GLU 15 -5.316 25.063 27.478 861 H LYS 16 H LYS 16 -3.829 22.996 25.720 862 HA LYS 16 HA LYS 16 -2.860 25.695 25.344 863 HB2 LYS 16 HB2 LYS 16 -0.638 24.826 25.524 864 HB3 LYS 16 HB3 LYS 16 -1.701 24.111 26.734 865 HG2 LYS 16 HG2 LYS 16 -0.683 22.229 26.166 866 HG3 LYS 16 HG3 LYS 16 -1.894 22.196 24.890 867 HD2 LYS 16 HD2 LYS 16 -0.266 23.172 23.290 868 HD3 LYS 16 HD3 LYS 16 0.941 23.332 24.568 869 HE2 LYS 16 HE2 LYS 16 -0.287 20.677 23.714 870 HE3 LYS 16 HE3 LYS 16 1.200 21.312 23.013 871 HZ1 LYS 16 HZ1 LYS 16 2.332 21.019 25.025 872 HZ2 LYS 16 HZ2 LYS 16 1.326 19.709 25.029 873 HZ3 LYS 16 HZ3 LYS 16 0.975 20.998 25.939 874 H LEU 17 H LEU 17 -3.226 23.052 23.051 875 HA LEU 17 HA LEU 17 -1.773 24.250 20.856 876 HB2 LEU 17 HB2 LEU 17 -4.018 22.211 20.947 877 HB3 LEU 17 HB3 LEU 17 -3.174 22.644 19.481 878 HG LEU 17 HG LEU 17 -1.715 21.577 21.922 879 HD11 LEU 17 HD11 LEU 17 -1.839 19.422 20.966 880 HD12 LEU 17 HD12 LEU 17 -2.555 20.049 19.448 881 HD13 LEU 17 HD13 LEU 17 -3.497 20.044 20.938 882 HD21 LEU 17 HD21 LEU 17 -0.978 21.962 19.012 883 HD22 LEU 17 HD22 LEU 17 -0.043 20.980 20.176 884 HD23 LEU 17 HD23 LEU 17 -0.217 22.723 20.428 885 H VAL 18 H VAL 18 -5.309 24.171 21.680 886 HA VAL 18 HA VAL 18 -5.981 25.801 19.400 887 HB VAL 18 HB VAL 18 -7.565 24.316 20.497 888 HG11 VAL 18 HG11 VAL 18 -7.429 26.308 22.770 889 HG12 VAL 18 HG12 VAL 18 -8.792 25.190 22.524 890 HG13 VAL 18 HG13 VAL 18 -7.140 24.575 22.796 891 HG21 VAL 18 HG21 VAL 18 -8.340 26.222 19.074 892 HG22 VAL 18 HG22 VAL 18 -9.506 25.697 20.306 893 HG23 VAL 18 HG23 VAL 18 -8.569 27.177 20.545 894 H ARG 19 H ARG 19 -5.298 26.774 22.814 895 HA ARG 19 HA ARG 19 -5.585 29.618 22.274 896 HB2 ARG 19 HB2 ARG 19 -4.112 27.927 24.317 897 HB3 ARG 19 HB3 ARG 19 -3.758 29.671 24.201 898 HG2 ARG 19 HG2 ARG 19 -6.191 30.113 24.425 899 HG3 ARG 19 HG3 ARG 19 -6.430 28.386 24.803 900 HD2 ARG 19 HD2 ARG 19 -4.725 30.412 26.318 901 HD3 ARG 19 HD3 ARG 19 -6.346 29.907 26.767 902 HE ARG 19 HE ARG 19 -5.653 27.798 27.408 903 HH11 ARG 19 HH11 ARG 19 -2.805 29.658 26.483 904 HH12 ARG 19 HH12 ARG 19 -1.729 28.588 27.335 905 HH21 ARG 19 HH21 ARG 19 -2.517 26.856 28.445 906 HH22 ARG 19 HH22 ARG 19 -4.227 26.528 28.487 907 H ASP 20 H ASP 20 -2.784 27.461 21.921 908 HA ASP 20 HA ASP 20 -0.882 29.361 20.995 909 HB2 ASP 20 HB2 ASP 20 -1.279 26.427 20.827 910 HB3 ASP 20 HB3 ASP 20 -0.379 27.088 19.484 911 H ALA 21 H ALA 21 -3.449 27.660 19.109 912 HA ALA 21 HA ALA 21 -2.604 28.813 16.599 913 HB1 ALA 21 HB1 ALA 21 -4.928 28.099 15.885 914 HB2 ALA 21 HB2 ALA 21 -3.891 26.839 16.578 915 HB3 ALA 21 HB3 ALA 21 -5.205 27.555 17.548 916 H MET 22 H MET 22 -5.140 29.733 18.969 917 HA MET 22 HA MET 22 -6.092 31.998 17.580 918 HB2 MET 22 HB2 MET 22 -5.920 31.545 20.571 919 HB3 MET 22 HB3 MET 22 -6.849 32.811 19.776 920 HG2 MET 22 HG2 MET 22 -7.637 30.074 20.305 921 HG3 MET 22 HG3 MET 22 -8.557 31.434 19.905 922 HE1 MET 22 HE1 MET 22 -9.281 32.213 17.969 923 HE2 MET 22 HE2 MET 22 -8.035 32.180 16.707 924 HE3 MET 22 HE3 MET 22 -9.572 31.292 16.473 925 H THR 23 H THR 23 -3.283 31.696 19.735 926 HA THR 23 HA THR 23 -2.650 34.563 19.588 927 HB THR 23 HB THR 23 -0.685 33.958 20.971 928 HG1 THR 23 HG1 THR 23 -1.889 31.430 21.200 929 HG21 THR 23 HG21 THR 23 -1.950 33.324 23.011 930 HG22 THR 23 HG22 THR 23 -3.381 32.993 22.011 931 HG23 THR 23 HG23 THR 23 -2.723 34.636 22.107 932 H SER 24 H SER 24 -1.286 31.603 18.087 933 HA SER 24 HA SER 24 0.925 33.119 16.979 934 HB2 SER 24 HB2 SER 24 1.003 30.715 17.800 935 HB3 SER 24 HB3 SER 24 0.281 30.248 16.247 936 HG SER 24 HG SER 24 2.016 31.427 15.248 937 H GLY 25 H GLY 25 -2.103 33.406 16.012 938 HA2 GLY 25 HA2 GLY 25 -2.982 34.403 14.130 939 HA3 GLY 25 HA3 GLY 25 -1.375 34.409 13.402 940 H VAL 26 H VAL 26 -2.657 31.346 14.420 941 HA VAL 26 HA VAL 26 -2.511 30.165 11.783 942 HB VAL 26 HB VAL 26 -3.448 29.245 14.476 943 HG11 VAL 26 HG11 VAL 26 -4.831 27.855 13.295 944 HG12 VAL 26 HG12 VAL 26 -3.689 27.655 11.971 945 HG13 VAL 26 HG13 VAL 26 -3.359 26.892 13.543 946 HG21 VAL 26 HG21 VAL 26 -1.401 27.827 14.282 947 HG22 VAL 26 HG22 VAL 26 -1.076 28.555 12.703 948 HG23 VAL 26 HG23 VAL 26 -1.034 29.547 14.170 949 H SER 27 H SER 27 -4.117 29.444 10.419 950 HA SER 27 HA SER 27 -6.338 31.094 10.009 951 HB2 SER 27 HB2 SER 27 -5.717 28.338 8.980 952 HB3 SER 27 HB3 SER 27 -7.121 29.279 8.440 953 HG SER 27 HG SER 27 -5.760 30.882 7.698 954 H LYS 28 H LYS 28 -8.112 31.351 11.214 955 HA LYS 28 HA LYS 28 -8.844 29.563 13.284 956 HB2 LYS 28 HB2 LYS 28 -10.562 31.743 12.000 957 HB3 LYS 28 HB3 LYS 28 -10.820 31.001 13.585 958 HG2 LYS 28 HG2 LYS 28 -8.579 31.867 14.321 959 HG3 LYS 28 HG3 LYS 28 -8.423 32.705 12.769 960 HD2 LYS 28 HD2 LYS 28 -10.516 33.968 13.241 961 HD3 LYS 28 HD3 LYS 28 -10.620 33.175 14.828 962 HE2 LYS 28 HE2 LYS 28 -8.417 34.130 15.455 963 HE3 LYS 28 HE3 LYS 28 -8.280 34.884 13.862 964 HZ1 LYS 28 HZ1 LYS 28 -10.250 36.216 14.388 965 HZ2 LYS 28 HZ2 LYS 28 -9.100 36.461 15.516 966 HZ3 LYS 28 HZ3 LYS 28 -10.390 35.522 15.861 967 H LYS 29 H LYS 29 -10.042 29.670 9.946 968 HA LYS 29 HA LYS 29 -12.217 27.805 10.329 969 HB2 LYS 29 HB2 LYS 29 -12.220 27.680 7.915 970 HB3 LYS 29 HB3 LYS 29 -12.089 29.360 8.446 971 HG2 LYS 29 HG2 LYS 29 -9.416 28.591 8.121 972 HG3 LYS 29 HG3 LYS 29 -10.231 27.642 6.888 973 HD2 LYS 29 HD2 LYS 29 -10.402 30.664 7.263 974 HD3 LYS 29 HD3 LYS 29 -9.394 29.840 6.062 975 HE2 LYS 29 HE2 LYS 29 -11.423 28.882 4.991 976 HE3 LYS 29 HE3 LYS 29 -12.445 29.703 6.176 977 HZ1 LYS 29 HZ1 LYS 29 -12.290 30.978 4.118 978 HZ2 LYS 29 HZ2 LYS 29 -10.665 31.075 4.229 979 HZ3 LYS 29 HZ3 LYS 29 -11.610 31.832 5.328 980 H GLN 30 H GLN 30 -8.734 27.390 9.760 981 HA GLN 30 HA GLN 30 -8.857 24.715 8.816 982 HB2 GLN 30 HB2 GLN 30 -6.645 26.320 10.151 983 HB3 GLN 30 HB3 GLN 30 -6.429 24.639 9.746 984 HG2 GLN 30 HG2 GLN 30 -7.271 26.763 7.722 985 HG3 GLN 30 HG3 GLN 30 -5.613 26.246 7.991 986 HE21 GLN 30 HE21 GLN 30 -8.143 25.712 5.889 987 HE22 GLN 30 HE22 GLN 30 -7.813 24.027 5.498 988 H PHE 31 H PHE 31 -9.088 25.953 12.089 989 HA PHE 31 HA PHE 31 -8.783 23.440 13.474 990 HB2 PHE 31 HB2 PHE 31 -9.969 26.083 14.083 991 HB3 PHE 31 HB3 PHE 31 -10.802 24.720 14.832 992 HD1 PHE 31 HD1 PHE 31 -9.998 23.738 16.800 993 HD2 PHE 31 HD2 PHE 31 -7.311 25.949 14.248 994 HE1 PHE 31 HE1 PHE 31 -8.145 23.349 18.403 995 HE2 PHE 31 HE2 PHE 31 -5.460 25.465 15.792 996 HZ PHE 31 HZ PHE 31 -5.853 24.113 17.860 997 H ARG 32 H ARG 32 -11.838 24.891 12.309 998 HA ARG 32 HA ARG 32 -13.340 22.467 12.670 999 HB2 ARG 32 HB2 ARG 32 -14.370 24.723 12.588 1000 HB3 ARG 32 HB3 ARG 32 -13.758 24.968 10.958 1001 HG2 ARG 32 HG2 ARG 32 -16.095 24.463 10.815 1002 HG3 ARG 32 HG3 ARG 32 -15.196 23.132 10.129 1003 HD2 ARG 32 HD2 ARG 32 -15.418 22.023 12.499 1004 HD3 ARG 32 HD3 ARG 32 -16.685 23.211 12.780 1005 HE ARG 32 HE ARG 32 -16.705 20.853 11.016 1006 HH11 ARG 32 HH11 ARG 32 -18.502 23.802 11.708 1007 HH12 ARG 32 HH12 ARG 32 -19.852 23.281 10.739 1008 HH21 ARG 32 HH21 ARG 32 -18.258 20.438 9.624 1009 HH22 ARG 32 HH22 ARG 32 -19.758 21.353 9.628 1010 H GLU 33 H GLU 33 -11.841 23.832 9.731 1011 HA GLU 33 HA GLU 33 -12.782 21.772 8.021 1012 HB2 GLU 33 HB2 GLU 33 -10.222 23.322 7.609 1013 HB3 GLU 33 HB3 GLU 33 -11.145 22.419 6.419 1014 HG2 GLU 33 HG2 GLU 33 -11.712 25.080 7.589 1015 HG3 GLU 33 HG3 GLU 33 -11.724 24.583 5.907 1016 H PHE 34 H PHE 34 -9.702 21.832 9.935 1017 HA PHE 34 HA PHE 34 -8.834 19.291 8.889 1018 HB2 PHE 34 HB2 PHE 34 -7.416 21.127 10.010 1019 HB3 PHE 34 HB3 PHE 34 -7.924 20.425 11.542 1020 HD1 PHE 34 HD1 PHE 34 -5.699 20.267 8.725 1021 HD2 PHE 34 HD2 PHE 34 -7.426 17.799 11.835 1022 HE1 PHE 34 HE1 PHE 34 -3.991 18.522 8.294 1023 HE2 PHE 34 HE2 PHE 34 -5.768 16.053 11.335 1024 HZ PHE 34 HZ PHE 34 -4.033 16.399 9.585 1025 H LEU 35 H LEU 35 -10.699 20.286 11.765 1026 HA LEU 35 HA LEU 35 -10.959 17.817 13.093 1027 HB2 LEU 35 HB2 LEU 35 -11.917 20.314 13.500 1028 HB3 LEU 35 HB3 LEU 35 -13.341 19.649 12.762 1029 HG LEU 35 HG LEU 35 -12.019 19.090 15.402 1030 HD11 LEU 35 HD11 LEU 35 -14.891 19.525 14.491 1031 HD12 LEU 35 HD12 LEU 35 -13.789 20.758 15.146 1032 HD13 LEU 35 HD13 LEU 35 -14.311 19.421 16.165 1033 HD21 LEU 35 HD21 LEU 35 -13.655 17.186 15.725 1034 HD22 LEU 35 HD22 LEU 35 -12.313 16.813 14.634 1035 HD23 LEU 35 HD23 LEU 35 -13.908 17.204 13.968 1036 H ASP 36 H ASP 36 -13.095 19.224 10.563 1037 HA ASP 36 HA ASP 36 -14.689 16.899 10.166 1038 HB2 ASP 36 HB2 ASP 36 -14.127 19.296 8.414 1039 HB3 ASP 36 HB3 ASP 36 -15.173 17.973 7.905 1040 H TYR 37 H TYR 37 -11.704 17.983 8.445 1041 HA TYR 37 HA TYR 37 -11.568 15.991 6.481 1042 HB2 TYR 37 HB2 TYR 37 -10.067 17.851 6.454 1043 HB3 TYR 37 HB3 TYR 37 -9.461 17.466 8.054 1044 HD1 TYR 37 HD1 TYR 37 -7.145 17.460 7.602 1045 HD2 TYR 37 HD2 TYR 37 -9.810 14.970 5.291 1046 HE1 TYR 37 HE1 TYR 37 -5.188 16.297 6.588 1047 HE2 TYR 37 HE2 TYR 37 -7.871 13.843 4.285 1048 HH TYR 37 HH TYR 37 -4.536 14.368 5.300 1049 H GLN 38 H GLN 38 -10.308 15.747 9.885 1050 HA GLN 38 HA GLN 38 -9.613 12.935 9.460 1051 HB2 GLN 38 HB2 GLN 38 -9.925 14.515 12.029 1052 HB3 GLN 38 HB3 GLN 38 -9.328 12.852 11.913 1053 HG2 GLN 38 HG2 GLN 38 -8.032 15.345 10.770 1054 HG3 GLN 38 HG3 GLN 38 -7.422 14.343 12.091 1055 HE21 GLN 38 HE21 GLN 38 -6.410 15.099 9.200 1056 HE22 GLN 38 HE22 GLN 38 -5.888 13.528 8.617 1057 H LYS 39 H LYS 39 -12.472 14.527 11.018 1058 HA LYS 39 HA LYS 39 -13.807 12.156 11.845 1059 HB2 LYS 39 HB2 LYS 39 -14.725 14.893 10.957 1060 HB3 LYS 39 HB3 LYS 39 -15.909 13.626 11.233 1061 HG2 LYS 39 HG2 LYS 39 -15.238 13.343 13.524 1062 HG3 LYS 39 HG3 LYS 39 -13.928 14.525 13.402 1063 HD2 LYS 39 HD2 LYS 39 -15.526 16.310 12.891 1064 HD3 LYS 39 HD3 LYS 39 -16.860 15.160 12.770 1065 HE2 LYS 39 HE2 LYS 39 -16.680 14.607 15.142 1066 HE3 LYS 39 HE3 LYS 39 -15.302 15.701 15.327 1067 HZ1 LYS 39 HZ1 LYS 39 -17.415 16.748 16.003 1068 HZ2 LYS 39 HZ2 LYS 39 -18.042 16.543 14.516 1069 HZ3 LYS 39 HZ3 LYS 39 -16.781 17.554 14.727 1070 H TRP 40 H TRP 40 -13.738 13.618 8.622 1071 HA TRP 40 HA TRP 40 -15.624 12.235 7.152 1072 HB2 TRP 40 HB2 TRP 40 -14.010 14.118 6.510 1073 HB3 TRP 40 HB3 TRP 40 -12.814 12.894 6.179 1074 HD1 TRP 40 HD1 TRP 40 -13.374 11.238 4.080 1075 HE1 TRP 40 HE1 TRP 40 -14.669 11.656 1.904 1076 HE3 TRP 40 HE3 TRP 40 -15.700 15.664 5.313 1077 HZ2 TRP 40 HZ2 TRP 40 -16.574 13.551 0.886 1078 HZ3 TRP 40 HZ3 TRP 40 -17.277 16.714 3.722 1079 HH2 TRP 40 HH2 TRP 40 -17.740 15.663 1.524 1080 H ARG 41 H ARG 41 -12.427 11.033 8.134 1081 HA ARG 41 HA ARG 41 -12.934 8.382 6.868 1082 HB2 ARG 41 HB2 ARG 41 -10.455 9.957 7.719 1083 HB3 ARG 41 HB3 ARG 41 -10.421 8.295 7.214 1084 HG2 ARG 41 HG2 ARG 41 -11.194 10.698 5.525 1085 HG3 ARG 41 HG3 ARG 41 -9.757 9.689 5.378 1086 HD2 ARG 41 HD2 ARG 41 -11.368 7.732 4.873 1087 HD3 ARG 41 HD3 ARG 41 -12.627 8.969 4.691 1088 HE ARG 41 HE ARG 41 -10.043 9.095 3.161 1089 HH11 ARG 41 HH11 ARG 41 -13.548 8.894 2.769 1090 HH12 ARG 41 HH12 ARG 41 -13.385 9.311 1.081 1091 HH21 ARG 41 HH21 ARG 41 -9.952 9.565 1.263 1092 HH22 ARG 41 HH22 ARG 41 -11.350 9.870 0.223 1093 H LYS 42 H LYS 42 -11.860 9.880 9.936 1094 HA LYS 42 HA LYS 42 -11.500 7.355 11.335 1095 HB2 LYS 42 HB2 LYS 42 -11.847 10.181 12.420 1096 HB3 LYS 42 HB3 LYS 42 -11.294 8.791 13.338 1097 HG2 LYS 42 HG2 LYS 42 -9.791 10.138 11.049 1098 HG3 LYS 42 HG3 LYS 42 -9.450 10.231 12.764 1099 HD2 LYS 42 HD2 LYS 42 -7.879 8.709 12.157 1100 HD3 LYS 42 HD3 LYS 42 -9.187 7.601 12.588 1101 HE2 LYS 42 HE2 LYS 42 -9.811 7.500 10.133 1102 HE3 LYS 42 HE3 LYS 42 -8.459 8.579 9.771 1103 HZ1 LYS 42 HZ1 LYS 42 -8.202 5.879 10.997 1104 HZ2 LYS 42 HZ2 LYS 42 -6.953 6.879 10.662 1105 HZ3 LYS 42 HZ3 LYS 42 -7.845 6.249 9.449 1106 H SER 43 H SER 43 -14.290 9.433 10.873 1107 HA SER 43 HA SER 43 -15.948 7.437 12.386 1108 HB2 SER 43 HB2 SER 43 -15.918 9.589 13.544 1109 HB3 SER 43 HB3 SER 43 -16.399 10.421 12.056 1110 HG SER 43 HG SER 43 -17.903 8.574 13.611 1111 H GLN 44 H GLN 44 -15.736 9.538 9.492 1112 HA GLN 44 HA GLN 44 -16.693 9.479 7.512 1113 HB2 GLN 44 HB2 GLN 44 -16.036 6.871 7.918 1114 HB3 GLN 44 HB3 GLN 44 -17.752 6.701 7.605 1115 HG2 GLN 44 HG2 GLN 44 -15.550 7.730 5.797 1116 HG3 GLN 44 HG3 GLN 44 -16.610 6.368 5.551 1117 HE21 GLN 44 HE21 GLN 44 -16.340 9.899 5.276 1118 HE22 GLN 44 HE22 GLN 44 -17.782 10.074 4.276 1119 H LYS 45 H LYS 45 -18.325 10.194 9.931 1120 HA LYS 45 HA LYS 45 -21.083 9.937 9.076 1121 HB2 LYS 45 HB2 LYS 45 -21.541 11.660 10.680 1122 HB3 LYS 45 HB3 LYS 45 -20.398 10.507 11.365 1123 HG2 LYS 45 HG2 LYS 45 -18.583 12.281 10.483 1124 HG3 LYS 45 HG3 LYS 45 -19.956 13.387 10.542 1125 HD2 LYS 45 HD2 LYS 45 -18.791 11.698 12.770 1126 HD3 LYS 45 HD3 LYS 45 -18.645 13.444 12.628 1127 HE2 LYS 45 HE2 LYS 45 -21.230 11.894 13.148 1128 HE3 LYS 45 HE3 LYS 45 -20.280 12.749 14.361 1129 HZ1 LYS 45 HZ1 LYS 45 -21.729 14.012 12.078 1130 HZ2 LYS 45 HZ2 LYS 45 -20.738 14.830 13.091 1131 HZ3 LYS 45 HZ3 LYS 45 -22.102 14.130 13.653 1132 H GLU 46 H GLU 46 -22.208 11.081 7.591 1133 HA GLU 46 HA GLU 46 -20.680 12.714 5.702 1134 HB2 GLU 46 HB2 GLU 46 -22.547 10.902 5.284 1135 HB3 GLU 46 HB3 GLU 46 -23.655 12.264 5.518 1136 HG2 GLU 46 HG2 GLU 46 -22.476 13.483 3.678 1137 HG3 GLU 46 HG3 GLU 46 -21.314 12.154 3.553 1138 H GLU 47 H GLU 47 -22.508 13.403 8.468 1139 HA GLU 47 HA GLU 47 -22.269 16.309 8.119 1140 HB2 GLU 47 HB2 GLU 47 -24.520 15.825 7.240 1141 HB3 GLU 47 HB3 GLU 47 -24.933 14.959 8.727 1142 HG2 GLU 47 HG2 GLU 47 -24.762 17.023 10.031 1143 HG3 GLU 47 HG3 GLU 47 -24.122 17.894 8.632 1144 H1 GLY 1 H1 GLY 1 1.068 48.109 25.355 1145 H2 GLY 1 H2 GLY 1 0.096 48.789 24.225 1146 H3 GLY 1 H3 GLY 1 0.923 47.418 23.878 1147 HA2 GLY 1 HA2 GLY 1 -1.246 47.664 25.862 1148 HA3 GLY 1 HA3 GLY 1 -1.390 46.897 24.270 1149 H SER 2 H SER 2 -2.018 44.919 25.266 1150 HA SER 2 HA SER 2 -0.558 43.533 27.263 1151 HB2 SER 2 HB2 SER 2 -2.366 42.387 25.101 1152 HB3 SER 2 HB3 SER 2 -1.904 41.595 26.619 1153 HG SER 2 HG SER 2 -3.959 42.616 26.763 1154 H HIS 3 H HIS 3 0.823 41.752 27.214 1155 HA HIS 3 HA HIS 3 2.840 41.629 25.172 1156 HB2 HIS 3 HB2 HIS 3 3.221 41.122 27.549 1157 HB3 HIS 3 HB3 HIS 3 2.128 39.741 27.453 1158 HD1 HIS 3 HD1 HIS 3 5.505 40.827 25.826 1159 HD2 HIS 3 HD2 HIS 3 3.210 37.445 26.837 1160 HE1 HIS 3 HE1 HIS 3 6.945 38.796 25.276 1161 H MET 4 H MET 4 -0.147 39.792 25.603 1162 HA MET 4 HA MET 4 0.325 38.342 23.075 1163 HB2 MET 4 HB2 MET 4 1.220 37.041 25.120 1164 HB3 MET 4 HB3 MET 4 -0.452 36.887 25.635 1165 HG2 MET 4 HG2 MET 4 0.377 34.898 24.441 1166 HG3 MET 4 HG3 MET 4 -1.005 35.618 23.637 1167 HE1 MET 4 HE1 MET 4 3.374 36.026 22.084 1168 HE2 MET 4 HE2 MET 4 2.756 37.045 23.396 1169 HE3 MET 4 HE3 MET 4 2.933 35.291 23.640 1170 H GLU 5 H GLU 5 -1.603 37.338 22.181 1171 HA GLU 5 HA GLU 5 -3.827 39.114 22.336 1172 HB2 GLU 5 HB2 GLU 5 -3.751 36.367 21.028 1173 HB3 GLU 5 HB3 GLU 5 -4.869 37.670 20.663 1174 HG2 GLU 5 HG2 GLU 5 -1.887 37.575 20.089 1175 HG3 GLU 5 HG3 GLU 5 -3.202 37.538 18.924 1176 H TYR 6 H TYR 6 -3.229 36.311 24.138 1177 HA TYR 6 HA TYR 6 -5.875 36.458 25.488 1178 HB2 TYR 6 HB2 TYR 6 -4.478 33.932 24.527 1179 HB3 TYR 6 HB3 TYR 6 -5.680 33.921 25.798 1180 HD1 TYR 6 HD1 TYR 6 -7.459 36.159 24.105 1181 HD2 TYR 6 HD2 TYR 6 -5.876 32.183 23.474 1182 HE1 TYR 6 HE1 TYR 6 -9.320 35.651 22.573 1183 HE2 TYR 6 HE2 TYR 6 -7.808 31.655 22.073 1184 HH TYR 6 HH TYR 6 -10.273 34.093 21.194 1185 H ASP 7 H ASP 7 -5.908 35.796 27.631 1186 HA ASP 7 HA ASP 7 -3.312 35.870 29.085 1187 HB2 ASP 7 HB2 ASP 7 -4.568 36.824 30.926 1188 HB3 ASP 7 HB3 ASP 7 -4.820 37.766 29.465 1189 H GLY 8 H GLY 8 -4.955 33.483 27.963 1190 HA2 GLY 8 HA2 GLY 8 -4.655 31.209 28.862 1191 HA3 GLY 8 HA3 GLY 8 -5.097 31.814 30.456 1192 H GLN 9 H GLN 9 -7.265 33.442 28.687 1193 HA GLN 9 HA GLN 9 -9.442 31.508 28.821 1194 HB2 GLN 9 HB2 GLN 9 -9.699 33.894 29.295 1195 HB3 GLN 9 HB3 GLN 9 -9.252 34.323 27.655 1196 HG2 GLN 9 HG2 GLN 9 -11.625 32.477 28.131 1197 HG3 GLN 9 HG3 GLN 9 -11.774 34.183 28.504 1198 HE21 GLN 9 HE21 GLN 9 -13.566 33.752 26.781 1199 HE22 GLN 9 HE22 GLN 9 -13.068 34.135 25.139 1200 H LEU 10 H LEU 10 -10.688 30.790 26.993 1201 HA LEU 10 HA LEU 10 -9.512 31.032 24.296 1202 HB2 LEU 10 HB2 LEU 10 -8.788 28.850 25.331 1203 HB3 LEU 10 HB3 LEU 10 -10.478 28.371 25.446 1204 HG LEU 10 HG LEU 10 -9.107 27.350 23.720 1205 HD11 LEU 10 HD11 LEU 10 -11.095 28.826 22.110 1206 HD12 LEU 10 HD12 LEU 10 -11.649 27.795 23.452 1207 HD13 LEU 10 HD13 LEU 10 -10.647 27.103 22.162 1208 HD21 LEU 10 HD21 LEU 10 -9.159 29.921 22.137 1209 HD22 LEU 10 HD22 LEU 10 -8.066 28.529 21.985 1210 HD23 LEU 10 HD23 LEU 10 -7.880 29.613 23.318 1211 H ASP 11 H ASP 11 -11.017 31.394 22.737 1212 HA ASP 11 HA ASP 11 -13.674 32.084 23.440 1213 HB2 ASP 11 HB2 ASP 11 -12.071 32.572 21.312 1214 HB3 ASP 11 HB3 ASP 11 -13.018 31.285 20.630 1215 H SER 12 H SER 12 -15.568 30.938 23.519 1216 HA SER 12 HA SER 12 -15.521 28.154 23.807 1217 HB2 SER 12 HB2 SER 12 -17.931 29.796 23.036 1218 HB3 SER 12 HB3 SER 12 -17.909 28.215 23.862 1219 HG SER 12 HG SER 12 -18.191 29.970 25.334 1220 H GLU 13 H GLU 13 -15.975 29.967 20.863 1221 HA GLU 13 HA GLU 13 -17.014 27.988 19.104 1222 HB2 GLU 13 HB2 GLU 13 -15.228 30.418 18.718 1223 HB3 GLU 13 HB3 GLU 13 -15.830 29.465 17.373 1224 HG2 GLU 13 HG2 GLU 13 -17.560 30.857 19.461 1225 HG3 GLU 13 HG3 GLU 13 -17.197 31.500 17.865 1226 H TRP 14 H TRP 14 -13.668 28.487 20.242 1227 HA TRP 14 HA TRP 14 -12.718 26.413 18.343 1228 HB2 TRP 14 HB2 TRP 14 -10.784 27.752 20.122 1229 HB3 TRP 14 HB3 TRP 14 -10.630 27.182 18.473 1230 HD1 TRP 14 HD1 TRP 14 -10.603 30.257 20.264 1231 HE1 TRP 14 HE1 TRP 14 -11.425 32.283 18.914 1232 HE3 TRP 14 HE3 TRP 14 -12.568 27.816 16.211 1233 HZ2 TRP 14 HZ2 TRP 14 -12.777 32.788 16.415 1234 HZ3 TRP 14 HZ3 TRP 14 -13.579 29.095 14.337 1235 HH2 TRP 14 HH2 TRP 14 -13.704 31.576 14.433 1236 H GLU 15 H GLU 15 -13.194 26.952 21.777 1237 HA GLU 15 HA GLU 15 -12.101 24.575 22.886 1238 HB2 GLU 15 HB2 GLU 15 -12.918 26.178 24.410 1239 HB3 GLU 15 HB3 GLU 15 -14.474 26.308 23.578 1240 HG2 GLU 15 HG2 GLU 15 -15.092 24.050 24.282 1241 HG3 GLU 15 HG3 GLU 15 -13.552 23.871 25.140 1242 H LYS 16 H LYS 16 -15.329 25.168 21.474 1243 HA LYS 16 HA LYS 16 -16.226 22.461 21.880 1244 HB2 LYS 16 HB2 LYS 16 -18.120 22.982 20.487 1245 HB3 LYS 16 HB3 LYS 16 -17.776 24.248 21.657 1246 HG2 LYS 16 HG2 LYS 16 -18.088 25.635 19.957 1247 HG3 LYS 16 HG3 LYS 16 -16.419 25.260 19.551 1248 HD2 LYS 16 HD2 LYS 16 -17.197 23.504 17.961 1249 HD3 LYS 16 HD3 LYS 16 -18.878 23.863 18.411 1250 HE2 LYS 16 HE2 LYS 16 -18.456 26.273 17.697 1251 HE3 LYS 16 HE3 LYS 16 -16.901 25.747 17.048 1252 HZ1 LYS 16 HZ1 LYS 16 -19.566 24.751 16.181 1253 HZ2 LYS 16 HZ2 LYS 16 -18.142 24.215 15.580 1254 HZ3 LYS 16 HZ3 LYS 16 -18.612 25.768 15.340 1255 H LEU 17 H LEU 17 -14.396 23.829 19.245 1256 HA LEU 17 HA LEU 17 -14.582 21.552 17.453 1257 HB2 LEU 17 HB2 LEU 17 -12.501 23.754 17.689 1258 HB3 LEU 17 HB3 LEU 17 -12.597 22.647 16.343 1259 HG LEU 17 HG LEU 17 -14.911 24.470 17.091 1260 HD11 LEU 17 HD11 LEU 17 -12.638 25.610 16.478 1261 HD12 LEU 17 HD12 LEU 17 -14.125 26.106 15.654 1262 HD13 LEU 17 HD13 LEU 17 -12.990 25.018 14.833 1263 HD21 LEU 17 HD21 LEU 17 -14.188 22.989 14.557 1264 HD22 LEU 17 HD22 LEU 17 -15.551 24.118 14.735 1265 HD23 LEU 17 HD23 LEU 17 -15.537 22.594 15.649 1266 H VAL 18 H VAL 18 -12.038 22.566 19.851 1267 HA VAL 18 HA VAL 18 -10.469 20.182 19.351 1268 HB VAL 18 HB VAL 18 -9.482 22.133 20.381 1269 HG11 VAL 18 HG11 VAL 18 -11.119 23.012 21.783 1270 HG12 VAL 18 HG12 VAL 18 -11.329 21.538 22.720 1271 HG13 VAL 18 HG13 VAL 18 -9.822 22.479 22.877 1272 HG21 VAL 18 HG21 VAL 18 -8.401 19.962 20.741 1273 HG22 VAL 18 HG22 VAL 18 -8.177 21.074 22.112 1274 HG23 VAL 18 HG23 VAL 18 -9.311 19.718 22.237 1275 H ARG 19 H ARG 19 -13.017 20.789 21.814 1276 HA ARG 19 HA ARG 19 -12.877 18.228 23.091 1277 HB2 ARG 19 HB2 ARG 19 -15.186 20.176 22.651 1278 HB3 ARG 19 HB3 ARG 19 -15.252 18.726 23.708 1279 HG2 ARG 19 HG2 ARG 19 -13.235 19.878 24.885 1280 HG3 ARG 19 HG3 ARG 19 -13.762 21.342 24.140 1281 HD2 ARG 19 HD2 ARG 19 -15.716 19.642 25.734 1282 HD3 ARG 19 HD3 ARG 19 -14.524 20.641 26.541 1283 HE ARG 19 HE ARG 19 -15.668 22.565 25.999 1284 HH11 ARG 19 HH11 ARG 19 -17.236 20.008 24.168 1285 HH12 ARG 19 HH12 ARG 19 -18.577 21.044 23.770 1286 HH21 ARG 19 HH21 ARG 19 -17.297 23.744 25.517 1287 HH22 ARG 19 HH22 ARG 19 -18.629 23.154 24.528 1288 H ASP 20 H ASP 20 -14.842 19.315 20.303 1289 HA ASP 20 HA ASP 20 -16.151 16.887 19.681 1290 HB2 ASP 20 HB2 ASP 20 -15.248 19.361 18.233 1291 HB3 ASP 20 HB3 ASP 20 -15.785 18.004 17.256 1292 H ALA 21 H ALA 21 -12.873 18.007 18.585 1293 HA ALA 21 HA ALA 21 -12.380 15.655 17.004 1294 HB1 ALA 21 HB1 ALA 21 -10.423 17.498 18.438 1295 HB2 ALA 21 HB2 ALA 21 -10.016 16.322 17.175 1296 HB3 ALA 21 HB3 ALA 21 -11.062 17.697 16.787 1297 H MET 22 H MET 22 -11.611 16.391 20.454 1298 HA MET 22 HA MET 22 -10.346 13.934 21.010 1299 HB2 MET 22 HB2 MET 22 -12.008 15.583 22.933 1300 HB3 MET 22 HB3 MET 22 -10.902 14.274 23.327 1301 HG2 MET 22 HG2 MET 22 -10.300 17.083 22.938 1302 HG3 MET 22 HG3 MET 22 -9.453 15.862 23.753 1303 HE1 MET 22 HE1 MET 22 -8.243 13.761 21.419 1304 HE2 MET 22 HE2 MET 22 -6.723 14.685 21.559 1305 HE3 MET 22 HE3 MET 22 -7.756 14.446 22.982 1306 H THR 23 H THR 23 -13.875 14.697 21.109 1307 HA THR 23 HA THR 23 -14.544 12.040 22.091 1308 HB THR 23 HB THR 23 -16.888 12.709 21.770 1309 HG1 THR 23 HG1 THR 23 -16.818 14.088 20.057 1310 HG21 THR 23 HG21 THR 23 -15.178 14.776 23.204 1311 HG22 THR 23 HG22 THR 23 -15.752 13.232 23.863 1312 HG23 THR 23 HG23 THR 23 -16.918 14.503 23.442 1313 H SER 24 H SER 24 -14.504 13.467 18.809 1314 HA SER 24 HA SER 24 -15.910 11.157 17.718 1315 HB2 SER 24 HB2 SER 24 -15.949 13.570 16.866 1316 HB3 SER 24 HB3 SER 24 -14.441 13.150 16.016 1317 HG SER 24 HG SER 24 -15.585 11.365 15.113 1318 H GLY 25 H GLY 25 -12.915 11.126 18.945 1319 HA2 GLY 25 HA2 GLY 25 -11.233 9.555 18.794 1320 HA3 GLY 25 HA3 GLY 25 -12.153 8.717 17.540 1321 H VAL 26 H VAL 26 -11.254 12.083 17.146 1322 HA VAL 26 HA VAL 26 -9.812 11.630 14.668 1323 HB VAL 26 HB VAL 26 -10.362 14.037 16.410 1324 HG11 VAL 26 HG11 VAL 26 -8.352 14.759 15.487 1325 HG12 VAL 26 HG12 VAL 26 -8.697 14.003 13.927 1326 HG13 VAL 26 HG13 VAL 26 -9.621 15.431 14.444 1327 HG21 VAL 26 HG21 VAL 26 -11.302 13.173 13.637 1328 HG22 VAL 26 HG22 VAL 26 -12.256 13.091 15.128 1329 HG23 VAL 26 HG23 VAL 26 -11.790 14.658 14.469 1330 H SER 27 H SER 27 -7.604 11.948 14.209 1331 HA SER 27 HA SER 27 -5.803 10.733 15.935 1332 HB2 SER 27 HB2 SER 27 -5.208 12.673 13.691 1333 HB3 SER 27 HB3 SER 27 -4.018 11.598 14.446 1334 HG SER 27 HG SER 27 -5.180 9.824 13.667 1335 H LYS 28 H LYS 28 -5.178 11.386 17.877 1336 HA LYS 28 HA LYS 28 -5.387 14.050 18.809 1337 HB2 LYS 28 HB2 LYS 28 -3.790 11.760 20.050 1338 HB3 LYS 28 HB3 LYS 28 -4.360 13.225 20.865 1339 HG2 LYS 28 HG2 LYS 28 -6.730 12.550 20.245 1340 HG3 LYS 28 HG3 LYS 28 -6.080 11.011 19.671 1341 HD2 LYS 28 HD2 LYS 28 -5.229 10.484 21.925 1342 HD3 LYS 28 HD3 LYS 28 -5.764 12.064 22.511 1343 HE2 LYS 28 HE2 LYS 28 -7.380 10.411 23.206 1344 HE3 LYS 28 HE3 LYS 28 -8.121 11.479 22.014 1345 HZ1 LYS 28 HZ1 LYS 28 -7.084 8.747 21.461 1346 HZ2 LYS 28 HZ2 LYS 28 -7.741 9.738 20.333 1347 HZ3 LYS 28 HZ3 LYS 28 -8.664 9.173 21.547 1348 H LYS 29 H LYS 29 -2.601 12.451 17.310 1349 HA LYS 29 HA LYS 29 -0.673 14.492 18.006 1350 HB2 LYS 29 HB2 LYS 29 0.732 13.359 16.422 1351 HB3 LYS 29 HB3 LYS 29 -0.081 12.174 17.444 1352 HG2 LYS 29 HG2 LYS 29 -1.779 12.379 15.233 1353 HG3 LYS 29 HG3 LYS 29 -0.199 12.693 14.522 1354 HD2 LYS 29 HD2 LYS 29 -1.007 10.295 16.230 1355 HD3 LYS 29 HD3 LYS 29 -0.894 10.286 14.460 1356 HE2 LYS 29 HE2 LYS 29 1.536 10.803 14.597 1357 HE3 LYS 29 HE3 LYS 29 1.444 10.797 16.362 1358 HZ1 LYS 29 HZ1 LYS 29 0.785 8.450 16.256 1359 HZ2 LYS 29 HZ2 LYS 29 2.222 8.661 15.515 1360 HZ3 LYS 29 HZ3 LYS 29 0.871 8.454 14.624 1361 H GLN 30 H GLN 30 -2.963 14.060 15.321 1362 HA GLN 30 HA GLN 30 -1.734 15.936 13.575 1363 HB2 GLN 30 HB2 GLN 30 -4.633 15.016 13.774 1364 HB3 GLN 30 HB3 GLN 30 -4.022 16.131 12.565 1365 HG2 GLN 30 HG2 GLN 30 -3.050 13.293 12.931 1366 HG3 GLN 30 HG3 GLN 30 -4.198 13.872 11.697 1367 HE21 GLN 30 HE21 GLN 30 -1.579 12.532 11.211 1368 HE22 GLN 30 HE22 GLN 30 -0.627 13.733 10.345 1369 H PHE 31 H PHE 31 -3.949 16.483 16.297 1370 HA PHE 31 HA PHE 31 -4.519 19.240 15.663 1371 HB2 PHE 31 HB2 PHE 31 -4.819 17.442 17.969 1372 HB3 PHE 31 HB3 PHE 31 -4.456 19.110 18.413 1373 HD1 PHE 31 HD1 PHE 31 -6.242 20.561 18.680 1374 HD2 PHE 31 HD2 PHE 31 -6.576 17.413 15.754 1375 HE1 PHE 31 HE1 PHE 31 -8.586 21.246 18.185 1376 HE2 PHE 31 HE2 PHE 31 -8.883 18.150 15.220 1377 HZ PHE 31 HZ PHE 31 -9.889 20.082 16.439 1378 H ARG 32 H ARG 32 -1.776 17.864 17.527 1379 HA ARG 32 HA ARG 32 -0.403 20.403 17.744 1380 HB2 ARG 32 HB2 ARG 32 0.140 18.591 19.272 1381 HB3 ARG 32 HB3 ARG 32 0.536 17.514 17.939 1382 HG2 ARG 32 HG2 ARG 32 2.575 18.274 18.976 1383 HG3 ARG 32 HG3 ARG 32 2.484 18.882 17.340 1384 HD2 ARG 32 HD2 ARG 32 1.541 21.078 18.386 1385 HD3 ARG 32 HD3 ARG 32 2.106 20.463 19.927 1386 HE ARG 32 HE ARG 32 3.694 21.330 17.563 1387 HH11 ARG 32 HH11 ARG 32 4.043 20.036 20.837 1388 HH12 ARG 32 HH12 ARG 32 5.743 20.435 20.825 1389 HH21 ARG 32 HH21 ARG 32 6.662 21.507 19.060 1390 HH22 ARG 32 HH22 ARG 32 5.653 21.708 17.626 1391 H GLU 33 H GLU 33 -0.032 17.707 15.453 1392 HA GLU 33 HA GLU 33 2.061 18.931 13.996 1393 HB2 GLU 33 HB2 GLU 33 0.071 17.007 12.811 1394 HB3 GLU 33 HB3 GLU 33 1.666 17.421 12.226 1395 HG2 GLU 33 HG2 GLU 33 0.889 15.637 14.438 1396 HG3 GLU 33 HG3 GLU 33 2.056 15.351 13.157 1397 H PHE 34 H PHE 34 -1.480 19.169 13.336 1398 HA PHE 34 HA PHE 34 -1.078 20.863 11.066 1399 HB2 PHE 34 HB2 PHE 34 -3.214 20.665 10.602 1400 HB3 PHE 34 HB3 PHE 34 -3.188 19.358 11.752 1401 HD1 PHE 34 HD1 PHE 34 -4.835 19.334 13.419 1402 HD2 PHE 34 HD2 PHE 34 -3.931 23.064 11.454 1403 HE1 PHE 34 HE1 PHE 34 -6.597 20.463 14.745 1404 HE2 PHE 34 HE2 PHE 34 -5.698 24.183 12.786 1405 HZ PHE 34 HZ PHE 34 -6.991 22.877 14.476 1406 H LEU 35 H LEU 35 -1.634 21.556 14.559 1407 HA LEU 35 HA LEU 35 -1.824 24.353 14.384 1408 HB2 LEU 35 HB2 LEU 35 -1.296 22.469 16.471 1409 HB3 LEU 35 HB3 LEU 35 0.110 23.491 16.471 1410 HG LEU 35 HG LEU 35 -1.495 24.335 18.038 1411 HD11 LEU 35 HD11 LEU 35 -0.224 25.966 16.560 1412 HD12 LEU 35 HD12 LEU 35 -1.652 26.570 17.398 1413 HD13 LEU 35 HD13 LEU 35 -1.744 26.184 15.667 1414 HD21 LEU 35 HD21 LEU 35 -3.500 24.417 15.766 1415 HD22 LEU 35 HD22 LEU 35 -3.762 24.870 17.467 1416 HD23 LEU 35 HD23 LEU 35 -3.439 23.193 17.042 1417 H ASP 36 H ASP 36 1.157 22.381 14.496 1418 HA ASP 36 HA ASP 36 2.881 24.618 14.038 1419 HB2 ASP 36 HB2 ASP 36 3.360 21.661 13.816 1420 HB3 ASP 36 HB3 ASP 36 4.611 22.885 13.586 1421 H TYR 37 H TYR 37 1.427 22.292 11.696 1422 HA TYR 37 HA TYR 37 2.815 23.282 9.410 1423 HB2 TYR 37 HB2 TYR 37 1.846 21.406 8.772 1424 HB3 TYR 37 HB3 TYR 37 0.600 21.485 9.966 1425 HD1 TYR 37 HD1 TYR 37 1.480 22.567 6.496 1426 HD2 TYR 37 HD2 TYR 37 -1.632 22.135 9.453 1427 HE1 TYR 37 HE1 TYR 37 -0.258 22.833 4.724 1428 HE2 TYR 37 HE2 TYR 37 -3.354 22.299 7.676 1429 HH TYR 37 HH TYR 37 -2.560 23.024 4.292 1430 H GLN 38 H GLN 38 -0.226 24.538 10.906 1431 HA GLN 38 HA GLN 38 -0.396 26.657 8.886 1432 HB2 GLN 38 HB2 GLN 38 -1.741 26.326 11.600 1433 HB3 GLN 38 HB3 GLN 38 -1.958 27.730 10.563 1434 HG2 GLN 38 HG2 GLN 38 -2.684 24.865 9.826 1435 HG3 GLN 38 HG3 GLN 38 -3.806 26.187 10.189 1436 HE21 GLN 38 HE21 GLN 38 -3.108 24.492 7.594 1437 HE22 GLN 38 HE22 GLN 38 -3.015 25.766 6.399 1438 H LYS 39 H LYS 39 0.991 26.511 12.208 1439 HA LYS 39 HA LYS 39 1.890 29.212 12.365 1440 HB2 LYS 39 HB2 LYS 39 2.950 26.584 13.398 1441 HB3 LYS 39 HB3 LYS 39 3.844 28.059 13.667 1442 HG2 LYS 39 HG2 LYS 39 2.241 29.002 15.033 1443 HG3 LYS 39 HG3 LYS 39 0.928 27.906 14.593 1444 HD2 LYS 39 HD2 LYS 39 1.979 26.062 15.709 1445 HD3 LYS 39 HD3 LYS 39 3.530 26.906 15.836 1446 HE2 LYS 39 HE2 LYS 39 2.535 28.500 17.451 1447 HE3 LYS 39 HE3 LYS 39 1.001 27.623 17.372 1448 HZ1 LYS 39 HZ1 LYS 39 3.632 26.555 18.273 1449 HZ2 LYS 39 HZ2 LYS 39 2.330 25.604 18.069 1450 HZ3 LYS 39 HZ3 LYS 39 2.308 26.759 19.237 1451 H TRP 40 H TRP 40 3.495 26.423 10.825 1452 HA TRP 40 HA TRP 40 5.877 27.440 9.882 1453 HB2 TRP 40 HB2 TRP 40 4.640 25.080 9.702 1454 HB3 TRP 40 HB3 TRP 40 4.243 25.626 8.108 1455 HD1 TRP 40 HD1 TRP 40 6.409 26.144 6.483 1456 HE1 TRP 40 HE1 TRP 40 8.710 25.023 6.354 1457 HE3 TRP 40 HE3 TRP 40 6.367 23.576 10.963 1458 HZ2 TRP 40 HZ2 TRP 40 10.395 23.413 8.035 1459 HZ3 TRP 40 HZ3 TRP 40 8.371 22.325 11.674 1460 HH2 TRP 40 HH2 TRP 40 10.392 22.245 10.240 1461 H ARG 41 H ARG 41 2.775 28.279 8.711 1462 HA ARG 41 HA ARG 41 3.875 29.605 6.258 1463 HB2 ARG 41 HB2 ARG 41 2.308 27.680 5.894 1464 HB3 ARG 41 HB3 ARG 41 1.078 28.502 6.839 1465 HG2 ARG 41 HG2 ARG 41 0.577 28.729 4.507 1466 HG3 ARG 41 HG3 ARG 41 0.982 30.332 5.112 1467 HD2 ARG 41 HD2 ARG 41 3.060 28.549 3.846 1468 HD3 ARG 41 HD3 ARG 41 1.954 29.491 2.825 1469 HE ARG 41 HE ARG 41 3.086 31.325 4.615 1470 HH11 ARG 41 HH11 ARG 41 4.365 29.107 2.173 1471 HH12 ARG 41 HH12 ARG 41 5.736 30.144 1.857 1472 HH21 ARG 41 HH21 ARG 41 4.863 32.563 4.147 1473 HH22 ARG 41 HH22 ARG 41 6.010 32.044 2.947 1474 H LYS 42 H LYS 42 1.455 30.001 8.849 1475 HA LYS 42 HA LYS 42 0.793 32.748 8.107 1476 HB2 LYS 42 HB2 LYS 42 0.131 31.137 10.620 1477 HB3 LYS 42 HB3 LYS 42 -0.612 32.663 10.150 1478 HG2 LYS 42 HG2 LYS 42 -0.833 30.042 8.610 1479 HG3 LYS 42 HG3 LYS 42 -2.055 30.710 9.669 1480 HD2 LYS 42 HD2 LYS 42 -2.901 32.031 8.059 1481 HD3 LYS 42 HD3 LYS 42 -1.333 32.710 7.675 1482 HE2 LYS 42 HE2 LYS 42 -2.037 31.681 5.682 1483 HE3 LYS 42 HE3 LYS 42 -0.806 30.603 6.356 1484 HZ1 LYS 42 HZ1 LYS 42 -3.732 30.183 6.769 1485 HZ2 LYS 42 HZ2 LYS 42 -2.561 29.127 7.123 1486 HZ3 LYS 42 HZ3 LYS 42 -2.891 29.466 5.558 1487 H SER 43 H SER 43 3.075 31.310 10.293 1488 HA SER 43 HA SER 43 4.096 34.051 10.981 1489 HB2 SER 43 HB2 SER 43 2.804 33.081 12.863 1490 HB3 SER 43 HB3 SER 43 3.884 31.678 12.863 1491 HG SER 43 HG SER 43 4.524 34.399 13.425 1492 H GLN 44 H GLN 44 4.826 30.761 10.086 1493 HA GLN 44 HA GLN 44 6.570 29.747 9.275 1494 HB2 GLN 44 HB2 GLN 44 6.747 32.152 8.157 1495 HB3 GLN 44 HB3 GLN 44 8.345 32.102 8.920 1496 HG2 GLN 44 HG2 GLN 44 7.120 30.238 6.843 1497 HG3 GLN 44 HG3 GLN 44 8.432 31.345 6.603 1498 HE21 GLN 44 HE21 GLN 44 7.542 28.152 7.731 1499 HE22 GLN 44 HE22 GLN 44 9.188 27.601 8.038 1500 H LYS 45 H LYS 45 6.248 30.220 12.139 1501 HA LYS 45 HA LYS 45 8.835 29.546 13.346 1502 HB2 LYS 45 HB2 LYS 45 5.942 29.016 14.130 1503 HB3 LYS 45 HB3 LYS 45 7.322 28.693 15.168 1504 HG2 LYS 45 HG2 LYS 45 7.732 30.934 15.624 1505 HG3 LYS 45 HG3 LYS 45 6.932 31.519 14.153 1506 HD2 LYS 45 HD2 LYS 45 4.766 30.857 14.947 1507 HD3 LYS 45 HD3 LYS 45 5.432 30.148 16.426 1508 HE2 LYS 45 HE2 LYS 45 5.618 33.098 15.663 1509 HE3 LYS 45 HE3 LYS 45 4.371 32.415 16.710 1510 HZ1 LYS 45 HZ1 LYS 45 7.284 32.386 17.296 1511 HZ2 LYS 45 HZ2 LYS 45 6.134 31.720 18.249 1512 HZ3 LYS 45 HZ3 LYS 45 6.177 33.335 18.023 1513 H GLU 46 H GLU 46 9.552 27.445 13.856 1514 HA GLU 46 HA GLU 46 8.532 25.178 12.270 1515 HB2 GLU 46 HB2 GLU 46 10.625 25.320 14.473 1516 HB3 GLU 46 HB3 GLU 46 10.268 23.894 13.481 1517 HG2 GLU 46 HG2 GLU 46 10.898 25.150 11.436 1518 HG3 GLU 46 HG3 GLU 46 11.303 26.562 12.417 1519 H GLU 47 H GLU 47 8.241 26.396 15.557 1520 HA GLU 47 HA GLU 47 5.820 24.928 16.106 1521 HB2 GLU 47 HB2 GLU 47 6.505 23.852 18.136 1522 HB3 GLU 47 HB3 GLU 47 7.404 23.185 16.773 1523 HG2 GLU 47 HG2 GLU 47 9.376 24.586 17.448 1524 HG3 GLU 47 HG3 GLU 47 8.462 25.156 18.850 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 21.175 -2.714 4.060 2 H2 GLY 1 H2 GLY 1 20.406 -3.558 2.884 3 H3 GLY 1 H3 GLY 1 19.749 -3.454 4.382 4 HA2 GLY 1 HA2 GLY 1 19.401 -1.087 4.140 5 HA3 GLY 1 HA3 GLY 1 20.134 -1.188 2.529 6 H SER 2 H SER 2 17.340 -0.472 3.578 7 HA SER 2 HA SER 2 15.522 -2.475 2.528 8 HB2 SER 2 HB2 SER 2 14.968 -0.857 4.343 9 HB3 SER 2 HB3 SER 2 14.993 0.449 3.141 10 HG SER 2 HG SER 2 12.879 -0.401 3.508 11 H HIS 3 H HIS 3 14.011 -2.122 0.763 12 HA HIS 3 HA HIS 3 15.343 -1.475 -1.720 13 HB2 HIS 3 HB2 HIS 3 12.415 -2.102 -1.201 14 HB3 HIS 3 HB3 HIS 3 13.236 -2.152 -2.759 15 HD1 HIS 3 HD1 HIS 3 15.410 -4.079 -2.758 16 HD2 HIS 3 HD2 HIS 3 12.332 -4.364 0.100 17 HE1 HIS 3 HE1 HIS 3 15.534 -6.441 -1.808 18 H MET 4 H MET 4 14.679 0.021 -3.335 19 HA MET 4 HA MET 4 14.362 2.683 -2.374 20 HB2 MET 4 HB2 MET 4 14.122 1.672 -5.239 21 HB3 MET 4 HB3 MET 4 14.380 3.334 -4.718 22 HG2 MET 4 HG2 MET 4 16.501 2.647 -5.346 23 HG3 MET 4 HG3 MET 4 16.524 2.555 -3.593 24 HE1 MET 4 HE1 MET 4 16.667 0.684 -7.003 25 HE2 MET 4 HE2 MET 4 16.606 -1.032 -6.551 26 HE3 MET 4 HE3 MET 4 15.152 -0.027 -6.398 27 H GLU 5 H GLU 5 12.726 4.169 -2.489 28 HA GLU 5 HA GLU 5 9.954 3.234 -2.630 29 HB2 GLU 5 HB2 GLU 5 11.149 6.018 -2.279 30 HB3 GLU 5 HB3 GLU 5 9.455 5.614 -2.052 31 HG2 GLU 5 HG2 GLU 5 11.787 4.593 -0.374 32 HG3 GLU 5 HG3 GLU 5 10.633 5.837 0.082 33 H TYR 6 H TYR 6 12.111 4.333 -4.962 34 HA TYR 6 HA TYR 6 10.114 5.078 -7.015 35 HB2 TYR 6 HB2 TYR 6 10.534 7.046 -5.381 36 HB3 TYR 6 HB3 TYR 6 12.175 7.074 -5.983 37 HD1 TYR 6 HD1 TYR 6 8.610 7.625 -6.785 38 HD2 TYR 6 HD2 TYR 6 12.668 8.038 -8.179 39 HE1 TYR 6 HE1 TYR 6 7.853 9.343 -8.404 40 HE2 TYR 6 HE2 TYR 6 11.888 9.595 -9.960 41 HH TYR 6 HH TYR 6 10.137 10.596 -10.929 42 H ASP 7 H ASP 7 11.060 5.272 -9.114 43 HA ASP 7 HA ASP 7 13.908 4.534 -9.458 44 HB2 ASP 7 HB2 ASP 7 12.603 2.423 -9.125 45 HB3 ASP 7 HB3 ASP 7 11.655 2.813 -10.558 46 H GLY 8 H GLY 8 13.203 6.952 -10.067 47 HA2 GLY 8 HA2 GLY 8 13.352 8.532 -11.733 48 HA3 GLY 8 HA3 GLY 8 13.780 7.232 -12.848 49 H GLN 9 H GLN 9 10.694 7.041 -11.237 50 HA GLN 9 HA GLN 9 9.156 8.000 -13.587 51 HB2 GLN 9 HB2 GLN 9 9.806 5.679 -14.094 52 HB3 GLN 9 HB3 GLN 9 9.242 5.148 -12.507 53 HG2 GLN 9 HG2 GLN 9 7.648 4.572 -14.321 54 HG3 GLN 9 HG3 GLN 9 6.924 5.594 -13.093 55 HE21 GLN 9 HE21 GLN 9 5.569 7.145 -13.999 56 HE22 GLN 9 HE22 GLN 9 5.877 7.914 -15.553 57 H LEU 10 H LEU 10 7.337 9.036 -12.894 58 HA LEU 10 HA LEU 10 6.482 8.795 -10.140 59 HB2 LEU 10 HB2 LEU 10 6.315 10.871 -11.644 60 HB3 LEU 10 HB3 LEU 10 4.869 10.136 -12.344 61 HG LEU 10 HG LEU 10 4.528 11.893 -10.661 62 HD11 LEU 10 HD11 LEU 10 2.745 11.034 -9.597 63 HD12 LEU 10 HD12 LEU 10 3.463 9.416 -9.388 64 HD13 LEU 10 HD13 LEU 10 2.897 9.942 -10.988 65 HD21 LEU 10 HD21 LEU 10 5.511 11.914 -8.646 66 HD22 LEU 10 HD22 LEU 10 6.603 10.774 -9.327 67 HD23 LEU 10 HD23 LEU 10 5.258 10.170 -8.356 68 H ASP 11 H ASP 11 5.151 7.449 -9.270 69 HA ASP 11 HA ASP 11 4.014 5.247 -10.687 70 HB2 ASP 11 HB2 ASP 11 4.722 5.742 -8.118 71 HB3 ASP 11 HB3 ASP 11 3.022 6.115 -8.004 72 H SER 12 H SER 12 1.979 4.972 -11.544 73 HA SER 12 HA SER 12 0.521 7.241 -12.341 74 HB2 SER 12 HB2 SER 12 -0.560 4.430 -12.152 75 HB3 SER 12 HB3 SER 12 -1.131 5.738 -13.216 76 HG SER 12 HG SER 12 0.808 5.639 -14.346 77 H GLU 13 H GLU 13 0.174 5.427 -9.431 78 HA GLU 13 HA GLU 13 -2.415 6.206 -8.512 79 HB2 GLU 13 HB2 GLU 13 0.186 5.433 -7.130 80 HB3 GLU 13 HB3 GLU 13 -1.291 5.730 -6.239 81 HG2 GLU 13 HG2 GLU 13 -1.003 3.641 -8.441 82 HG3 GLU 13 HG3 GLU 13 -0.764 3.307 -6.727 83 H TRP 14 H TRP 14 0.644 7.972 -8.522 84 HA TRP 14 HA TRP 14 -0.585 10.097 -6.855 85 HB2 TRP 14 HB2 TRP 14 2.262 10.285 -7.629 86 HB3 TRP 14 HB3 TRP 14 1.439 10.754 -6.144 87 HD1 TRP 14 HD1 TRP 14 3.954 8.530 -7.174 88 HE1 TRP 14 HE1 TRP 14 4.103 6.344 -5.805 89 HE3 TRP 14 HE3 TRP 14 -0.487 8.806 -4.650 90 HZ2 TRP 14 HZ2 TRP 14 2.443 4.840 -3.999 91 HZ3 TRP 14 HZ3 TRP 14 -1.184 6.991 -3.102 92 HH2 TRP 14 HH2 TRP 14 0.258 4.990 -2.791 93 H GLU 15 H GLU 15 0.678 9.566 -10.067 94 HA GLU 15 HA GLU 15 0.464 12.157 -11.212 95 HB2 GLU 15 HB2 GLU 15 1.380 10.470 -12.564 96 HB3 GLU 15 HB3 GLU 15 0.098 9.320 -12.168 97 HG2 GLU 15 HG2 GLU 15 -1.504 10.533 -13.550 98 HG3 GLU 15 HG3 GLU 15 -0.266 11.730 -13.971 99 H LYS 16 H LYS 16 -1.997 9.625 -10.707 100 HA LYS 16 HA LYS 16 -4.153 11.169 -11.843 101 HB2 LYS 16 HB2 LYS 16 -5.657 9.514 -10.982 102 HB3 LYS 16 HB3 LYS 16 -4.240 8.778 -11.730 103 HG2 LYS 16 HG2 LYS 16 -4.296 7.451 -9.966 104 HG3 LYS 16 HG3 LYS 16 -3.385 8.749 -9.208 105 HD2 LYS 16 HD2 LYS 16 -5.455 9.643 -8.180 106 HD3 LYS 16 HD3 LYS 16 -6.437 8.454 -9.036 107 HE2 LYS 16 HE2 LYS 16 -4.249 7.736 -7.045 108 HE3 LYS 16 HE3 LYS 16 -5.939 7.929 -6.590 109 HZ1 LYS 16 HZ1 LYS 16 -5.034 5.590 -7.212 110 HZ2 LYS 16 HZ2 LYS 16 -5.214 6.054 -8.749 111 HZ3 LYS 16 HZ3 LYS 16 -6.529 6.018 -7.775 112 H LEU 17 H LEU 17 -2.883 11.100 -8.564 113 HA LEU 17 HA LEU 17 -5.038 12.589 -7.318 114 HB2 LEU 17 HB2 LEU 17 -2.103 12.267 -6.602 115 HB3 LEU 17 HB3 LEU 17 -3.259 13.070 -5.571 116 HG LEU 17 HG LEU 17 -3.647 10.199 -6.482 117 HD11 LEU 17 HD11 LEU 17 -2.635 9.490 -4.488 118 HD12 LEU 17 HD12 LEU 17 -2.541 11.155 -3.833 119 HD13 LEU 17 HD13 LEU 17 -1.504 10.668 -5.181 120 HD21 LEU 17 HD21 LEU 17 -5.707 11.183 -5.703 121 HD22 LEU 17 HD22 LEU 17 -4.877 11.920 -4.311 122 HD23 LEU 17 HD23 LEU 17 -5.048 10.147 -4.427 123 H VAL 18 H VAL 18 -1.796 13.605 -8.612 124 HA VAL 18 HA VAL 18 -2.346 16.382 -8.023 125 HB VAL 18 HB VAL 18 -0.090 15.537 -8.207 126 HG11 VAL 18 HG11 VAL 18 0.937 15.233 -10.468 127 HG12 VAL 18 HG12 VAL 18 -0.221 13.961 -9.992 128 HG13 VAL 18 HG13 VAL 18 -0.705 15.196 -11.149 129 HG21 VAL 18 HG21 VAL 18 0.876 17.367 -9.406 130 HG22 VAL 18 HG22 VAL 18 -0.600 17.636 -10.354 131 HG23 VAL 18 HG23 VAL 18 -0.597 17.958 -8.608 132 H ARG 19 H ARG 19 -2.765 14.539 -11.093 133 HA ARG 19 HA ARG 19 -3.827 16.729 -12.574 134 HB2 ARG 19 HB2 ARG 19 -2.870 14.423 -13.281 135 HB3 ARG 19 HB3 ARG 19 -4.484 13.776 -12.958 136 HG2 ARG 19 HG2 ARG 19 -5.418 15.265 -14.698 137 HG3 ARG 19 HG3 ARG 19 -3.844 16.080 -14.840 138 HD2 ARG 19 HD2 ARG 19 -4.166 14.549 -16.693 139 HD3 ARG 19 HD3 ARG 19 -2.772 14.135 -15.702 140 HE ARG 19 HE ARG 19 -5.363 12.731 -15.196 141 HH11 ARG 19 HH11 ARG 19 -5.209 10.514 -14.849 142 HH12 ARG 19 HH12 ARG 19 -3.753 9.684 -15.328 143 HH21 ARG 19 HH21 ARG 19 -2.152 12.394 -16.591 144 HH22 ARG 19 HH22 ARG 19 -2.045 10.705 -16.123 145 H ASP 20 H ASP 20 -5.462 14.388 -10.434 146 HA ASP 20 HA ASP 20 -8.138 15.366 -10.726 147 HB2 ASP 20 HB2 ASP 20 -6.530 13.909 -8.650 148 HB3 ASP 20 HB3 ASP 20 -8.027 14.654 -8.136 149 H ALA 21 H ALA 21 -5.432 16.522 -8.608 150 HA ALA 21 HA ALA 21 -7.056 18.484 -7.280 151 HB1 ALA 21 HB1 ALA 21 -4.049 18.292 -7.726 152 HB2 ALA 21 HB2 ALA 21 -4.817 19.506 -6.708 153 HB3 ALA 21 HB3 ALA 21 -4.990 17.788 -6.295 154 H MET 22 H MET 22 -4.940 18.662 -10.134 155 HA MET 22 HA MET 22 -5.284 21.370 -10.780 156 HB2 MET 22 HB2 MET 22 -4.666 18.867 -12.342 157 HB3 MET 22 HB3 MET 22 -4.993 20.353 -13.237 158 HG2 MET 22 HG2 MET 22 -2.950 20.414 -11.020 159 HG3 MET 22 HG3 MET 22 -2.539 19.769 -12.547 160 HE1 MET 22 HE1 MET 22 -2.206 22.496 -10.565 161 HE2 MET 22 HE2 MET 22 -2.612 24.007 -11.411 162 HE3 MET 22 HE3 MET 22 -3.920 22.968 -10.756 163 H THR 23 H THR 23 -7.238 18.572 -11.958 164 HA THR 23 HA THR 23 -9.158 20.265 -13.301 165 HB THR 23 HB THR 23 -10.514 18.196 -13.535 166 HG1 THR 23 HG1 THR 23 -8.315 16.863 -12.394 167 HG21 THR 23 HG21 THR 23 -8.915 16.984 -14.964 168 HG22 THR 23 HG22 THR 23 -7.573 17.926 -14.265 169 HG23 THR 23 HG23 THR 23 -8.829 18.737 -15.209 170 H SER 24 H SER 24 -9.182 18.856 -10.028 171 HA SER 24 HA SER 24 -11.928 19.650 -9.569 172 HB2 SER 24 HB2 SER 24 -10.927 17.667 -8.516 173 HB3 SER 24 HB3 SER 24 -9.958 18.709 -7.465 174 HG SER 24 HG SER 24 -11.976 19.711 -6.843 175 H GLY 25 H GLY 25 -9.199 21.611 -9.728 176 HA2 GLY 25 HA2 GLY 25 -8.842 23.807 -9.121 177 HA3 GLY 25 HA3 GLY 25 -10.518 23.899 -8.563 178 H VAL 26 H VAL 26 -8.207 21.576 -7.304 179 HA VAL 26 HA VAL 26 -8.544 22.310 -4.507 180 HB VAL 26 HB VAL 26 -6.853 20.397 -6.069 181 HG11 VAL 26 HG11 VAL 26 -5.263 20.762 -4.445 182 HG12 VAL 26 HG12 VAL 26 -6.454 20.915 -3.155 183 HG13 VAL 26 HG13 VAL 26 -6.157 19.331 -3.904 184 HG21 VAL 26 HG21 VAL 26 -9.248 19.898 -5.692 185 HG22 VAL 26 HG22 VAL 26 -8.219 18.739 -4.853 186 HG23 VAL 26 HG23 VAL 26 -9.003 20.047 -3.950 187 H SER 27 H SER 27 -7.043 23.209 -3.099 188 HA SER 27 HA SER 27 -5.706 25.508 -3.979 189 HB2 SER 27 HB2 SER 27 -5.278 23.970 -1.408 190 HB3 SER 27 HB3 SER 27 -4.810 25.657 -1.717 191 HG SER 27 HG SER 27 -7.216 24.596 -1.012 192 H LYS 28 H LYS 28 -4.170 25.208 -5.536 193 HA LYS 28 HA LYS 28 -2.143 23.275 -5.618 194 HB2 LYS 28 HB2 LYS 28 -1.127 24.644 -7.361 195 HB3 LYS 28 HB3 LYS 28 -2.876 24.576 -7.533 196 HG2 LYS 28 HG2 LYS 28 -2.990 26.874 -6.403 197 HG3 LYS 28 HG3 LYS 28 -1.224 26.901 -6.442 198 HD2 LYS 28 HD2 LYS 28 -2.033 28.191 -8.280 199 HD3 LYS 28 HD3 LYS 28 -1.312 26.719 -8.939 200 HE2 LYS 28 HE2 LYS 28 -3.556 25.722 -9.230 201 HE3 LYS 28 HE3 LYS 28 -4.300 27.138 -8.475 202 HZ1 LYS 28 HZ1 LYS 28 -3.462 28.488 -10.318 203 HZ2 LYS 28 HZ2 LYS 28 -4.383 27.276 -10.901 204 HZ3 LYS 28 HZ3 LYS 28 -2.756 27.192 -11.017 205 H LYS 29 H LYS 29 -2.096 26.361 -3.908 206 HA LYS 29 HA LYS 29 0.653 26.357 -3.107 207 HB2 LYS 29 HB2 LYS 29 -0.071 27.942 -1.393 208 HB3 LYS 29 HB3 LYS 29 -0.706 28.330 -2.994 209 HG2 LYS 29 HG2 LYS 29 -2.773 26.801 -1.912 210 HG3 LYS 29 HG3 LYS 29 -2.134 27.587 -0.481 211 HD2 LYS 29 HD2 LYS 29 -3.045 28.950 -3.050 212 HD3 LYS 29 HD3 LYS 29 -3.987 28.845 -1.552 213 HE2 LYS 29 HE2 LYS 29 -2.243 30.141 -0.345 214 HE3 LYS 29 HE3 LYS 29 -1.293 30.263 -1.830 215 HZ1 LYS 29 HZ1 LYS 29 -2.631 32.254 -1.477 216 HZ2 LYS 29 HZ2 LYS 29 -4.017 31.395 -1.460 217 HZ3 LYS 29 HZ3 LYS 29 -3.137 31.505 -2.833 218 H GLN 30 H GLN 30 -2.153 24.689 -1.704 219 HA GLN 30 HA GLN 30 -0.862 23.993 0.781 220 HB2 GLN 30 HB2 GLN 30 -3.136 22.646 -0.744 221 HB3 GLN 30 HB3 GLN 30 -2.605 22.163 0.856 222 HG2 GLN 30 HG2 GLN 30 -3.686 24.924 0.152 223 HG3 GLN 30 HG3 GLN 30 -4.646 23.612 0.837 224 HE21 GLN 30 HE21 GLN 30 -4.111 26.322 1.959 225 HE22 GLN 30 HE22 GLN 30 -3.345 26.004 3.507 226 H PHE 31 H PHE 31 -0.892 22.517 -2.454 227 HA PHE 31 HA PHE 31 0.272 19.997 -1.796 228 HB2 PHE 31 HB2 PHE 31 -0.457 21.452 -4.168 229 HB3 PHE 31 HB3 PHE 31 1.195 20.906 -4.355 230 HD1 PHE 31 HD1 PHE 31 -1.775 19.345 -2.627 231 HD2 PHE 31 HD2 PHE 31 1.171 19.022 -5.771 232 HE1 PHE 31 HE1 PHE 31 -2.572 17.075 -3.147 233 HE2 PHE 31 HE2 PHE 31 0.275 16.802 -6.370 234 HZ PHE 31 HZ PHE 31 -1.611 15.811 -5.069 235 H ARG 32 H ARG 32 1.967 22.971 -2.822 236 HA ARG 32 HA ARG 32 4.576 21.859 -2.342 237 HB2 ARG 32 HB2 ARG 32 4.192 23.779 -3.847 238 HB3 ARG 32 HB3 ARG 32 3.495 24.713 -2.530 239 HG2 ARG 32 HG2 ARG 32 5.731 25.530 -2.937 240 HG3 ARG 32 HG3 ARG 32 5.659 24.754 -1.377 241 HD2 ARG 32 HD2 ARG 32 6.570 22.627 -2.637 242 HD3 ARG 32 HD3 ARG 32 7.042 23.778 -3.887 243 HE ARG 32 HE ARG 32 8.156 23.425 -1.171 244 HH11 ARG 32 HH11 ARG 32 8.185 25.685 -3.876 245 HH12 ARG 32 HH12 ARG 32 9.646 26.431 -3.288 246 HH21 ARG 32 HH21 ARG 32 9.829 24.349 -0.525 247 HH22 ARG 32 HH22 ARG 32 10.604 25.688 -1.384 248 H GLU 33 H GLU 33 2.602 23.992 -0.249 249 HA GLU 33 HA GLU 33 4.565 24.113 1.848 250 HB2 GLU 33 HB2 GLU 33 1.535 24.367 2.022 251 HB3 GLU 33 HB3 GLU 33 2.669 24.757 3.314 252 HG2 GLU 33 HG2 GLU 33 2.365 26.190 0.669 253 HG3 GLU 33 HG3 GLU 33 2.012 26.804 2.282 254 H PHE 34 H PHE 34 1.776 21.769 1.511 255 HA PHE 34 HA PHE 34 2.619 20.387 3.877 256 HB2 PHE 34 HB2 PHE 34 0.608 19.621 3.870 257 HB3 PHE 34 HB3 PHE 34 0.277 20.359 2.336 258 HD1 PHE 34 HD1 PHE 34 0.768 17.199 4.114 259 HD2 PHE 34 HD2 PHE 34 0.670 19.037 0.204 260 HE1 PHE 34 HE1 PHE 34 0.579 14.983 3.068 261 HE2 PHE 34 HE2 PHE 34 0.405 16.790 -0.834 262 HZ PHE 34 HZ PHE 34 0.365 14.765 0.620 263 H LEU 35 H LEU 35 3.534 19.915 0.469 264 HA LEU 35 HA LEU 35 4.862 17.447 0.586 265 HB2 LEU 35 HB2 LEU 35 4.731 19.360 -1.289 266 HB3 LEU 35 HB3 LEU 35 6.240 19.877 -0.575 267 HG LEU 35 HG LEU 35 5.591 17.415 -2.162 268 HD11 LEU 35 HD11 LEU 35 7.809 19.497 -2.267 269 HD12 LEU 35 HD12 LEU 35 6.329 19.473 -3.248 270 HD13 LEU 35 HD13 LEU 35 7.522 18.191 -3.438 271 HD21 LEU 35 HD21 LEU 35 8.010 17.807 -0.376 272 HD22 LEU 35 HD22 LEU 35 7.937 16.626 -1.706 273 HD23 LEU 35 HD23 LEU 35 6.849 16.464 -0.322 274 H ASP 36 H ASP 36 6.196 20.670 1.386 275 HA ASP 36 HA ASP 36 8.660 19.627 2.425 276 HB2 ASP 36 HB2 ASP 36 7.502 22.412 2.472 277 HB3 ASP 36 HB3 ASP 36 9.129 21.966 2.995 278 H TYR 37 H TYR 37 5.667 20.748 4.042 279 HA TYR 37 HA TYR 37 6.647 20.438 6.716 280 HB2 TYR 37 HB2 TYR 37 4.699 21.511 6.784 281 HB3 TYR 37 HB3 TYR 37 4.035 20.702 5.386 282 HD1 TYR 37 HD1 TYR 37 4.752 20.148 9.026 283 HD2 TYR 37 HD2 TYR 37 2.393 19.036 5.590 284 HE1 TYR 37 HE1 TYR 37 3.252 18.784 10.475 285 HE2 TYR 37 HE2 TYR 37 0.880 17.716 7.043 286 HH TYR 37 HH TYR 37 0.394 17.049 9.175 287 H GLN 38 H GLN 38 5.093 17.906 4.565 288 HA GLN 38 HA GLN 38 5.476 15.874 6.590 289 HB2 GLN 38 HB2 GLN 38 5.134 15.594 3.577 290 HB3 GLN 38 HB3 GLN 38 5.320 14.241 4.681 291 HG2 GLN 38 HG2 GLN 38 3.019 16.209 4.738 292 HG3 GLN 38 HG3 GLN 38 2.985 14.542 4.139 293 HE21 GLN 38 HE21 GLN 38 1.138 15.338 6.069 294 HE22 GLN 38 HE22 GLN 38 1.556 14.540 7.576 295 H LYS 39 H LYS 39 7.601 16.999 3.933 296 HA LYS 39 HA LYS 39 9.708 15.082 4.215 297 HB2 LYS 39 HB2 LYS 39 9.483 17.975 3.378 298 HB3 LYS 39 HB3 LYS 39 11.083 17.301 3.631 299 HG2 LYS 39 HG2 LYS 39 10.745 15.669 1.913 300 HG3 LYS 39 HG3 LYS 39 9.054 16.124 1.665 301 HD2 LYS 39 HD2 LYS 39 9.659 18.348 1.000 302 HD3 LYS 39 HD3 LYS 39 11.360 18.116 1.424 303 HE2 LYS 39 HE2 LYS 39 11.660 16.588 -0.447 304 HE3 LYS 39 HE3 LYS 39 9.930 16.649 -0.817 305 HZ1 LYS 39 HZ1 LYS 39 11.827 18.936 -0.961 306 HZ2 LYS 39 HZ2 LYS 39 10.222 19.107 -1.138 307 HZ3 LYS 39 HZ3 LYS 39 11.086 18.233 -2.233 308 H TRP 40 H TRP 40 9.205 18.171 5.927 309 HA TRP 40 HA TRP 40 11.331 17.712 7.831 310 HB2 TRP 40 HB2 TRP 40 9.216 19.840 7.494 311 HB3 TRP 40 HB3 TRP 40 10.472 19.903 8.736 312 HD1 TRP 40 HD1 TRP 40 12.952 18.970 7.032 313 HE1 TRP 40 HE1 TRP 40 14.036 20.548 5.347 314 HE3 TRP 40 HE3 TRP 40 9.009 22.148 6.263 315 HZ2 TRP 40 HZ2 TRP 40 13.322 22.928 3.895 316 HZ3 TRP 40 HZ3 TRP 40 9.274 24.118 4.765 317 HH2 TRP 40 HH2 TRP 40 11.423 24.523 3.589 318 H ARG 41 H ARG 41 8.369 16.236 7.842 319 HA ARG 41 HA ARG 41 8.520 15.770 10.813 320 HB2 ARG 41 HB2 ARG 41 6.300 15.827 8.823 321 HB3 ARG 41 HB3 ARG 41 6.321 14.397 9.810 322 HG2 ARG 41 HG2 ARG 41 4.870 15.975 10.831 323 HG3 ARG 41 HG3 ARG 41 6.251 15.770 11.881 324 HD2 ARG 41 HD2 ARG 41 6.095 18.095 9.887 325 HD3 ARG 41 HD3 ARG 41 5.292 18.157 11.432 326 HE ARG 41 HE ARG 41 8.251 17.998 11.007 327 HH11 ARG 41 HH11 ARG 41 5.717 18.490 13.368 328 HH12 ARG 41 HH12 ARG 41 6.554 19.790 14.183 329 HH21 ARG 41 HH21 ARG 41 9.469 19.259 12.343 330 HH22 ARG 41 HH22 ARG 41 8.748 19.987 13.759 331 H LYS 42 H LYS 42 8.362 14.090 7.691 332 HA LYS 42 HA LYS 42 8.887 11.433 8.765 333 HB2 LYS 42 HB2 LYS 42 8.805 12.559 5.917 334 HB3 LYS 42 HB3 LYS 42 8.968 10.851 6.312 335 HG2 LYS 42 HG2 LYS 42 6.545 12.614 6.870 336 HG3 LYS 42 HG3 LYS 42 6.713 11.351 5.663 337 HD2 LYS 42 HD2 LYS 42 5.585 10.147 7.214 338 HD3 LYS 42 HD3 LYS 42 7.213 9.809 7.796 339 HE2 LYS 42 HE2 LYS 42 6.959 11.698 9.446 340 HE3 LYS 42 HE3 LYS 42 5.337 12.002 8.815 341 HZ1 LYS 42 HZ1 LYS 42 5.271 10.619 10.817 342 HZ2 LYS 42 HZ2 LYS 42 6.201 9.472 10.121 343 HZ3 LYS 42 HZ3 LYS 42 4.700 9.769 9.546 344 H SER 43 H SER 43 10.838 13.610 6.686 345 HA SER 43 HA SER 43 13.235 11.900 7.138 346 HB2 SER 43 HB2 SER 43 12.666 12.547 4.838 347 HB3 SER 43 HB3 SER 43 12.755 14.256 5.284 348 HG SER 43 HG SER 43 14.864 12.346 5.227 349 H GLN 44 H GLN 44 11.962 15.124 7.906 350 HA GLN 44 HA GLN 44 12.591 16.715 9.333 351 HB2 GLN 44 HB2 GLN 44 12.682 14.472 10.767 352 HB3 GLN 44 HB3 GLN 44 14.360 14.950 10.979 353 HG2 GLN 44 HG2 GLN 44 11.881 16.630 11.621 354 HG3 GLN 44 HG3 GLN 44 12.846 15.741 12.787 355 HE21 GLN 44 HE21 GLN 44 12.747 18.652 10.762 356 HE22 GLN 44 HE22 GLN 44 14.255 19.328 11.398 357 H LYS 45 H LYS 45 13.986 16.554 6.954 358 HA LYS 45 HA LYS 45 16.772 17.229 7.290 359 HB2 LYS 45 HB2 LYS 45 16.740 17.546 4.880 360 HB3 LYS 45 HB3 LYS 45 15.962 16.052 5.377 361 HG2 LYS 45 HG2 LYS 45 13.724 17.530 5.197 362 HG3 LYS 45 HG3 LYS 45 14.728 18.512 4.129 363 HD2 LYS 45 HD2 LYS 45 14.164 15.534 3.889 364 HD3 LYS 45 HD3 LYS 45 13.405 16.796 2.916 365 HE2 LYS 45 HE2 LYS 45 15.479 17.339 1.815 366 HE3 LYS 45 HE3 LYS 45 16.418 16.338 2.932 367 HZ1 LYS 45 HZ1 LYS 45 15.972 15.237 0.767 368 HZ2 LYS 45 HZ2 LYS 45 14.362 15.213 1.101 369 HZ3 LYS 45 HZ3 LYS 45 15.398 14.377 2.033 370 H GLU 46 H GLU 46 15.675 18.865 9.039 371 HA GLU 46 HA GLU 46 16.765 21.386 8.167 372 HB2 GLU 46 HB2 GLU 46 14.522 21.835 7.417 373 HB3 GLU 46 HB3 GLU 46 13.832 21.280 8.942 374 HG2 GLU 46 HG2 GLU 46 13.675 23.656 8.804 375 HG3 GLU 46 HG3 GLU 46 14.804 23.257 10.082 376 H GLU 47 H GLU 47 17.515 22.638 9.845 377 HA GLU 47 HA GLU 47 18.187 21.196 12.294 378 HB2 GLU 47 HB2 GLU 47 18.792 24.052 11.437 379 HB3 GLU 47 HB3 GLU 47 19.508 23.220 12.813 380 HG2 GLU 47 HG2 GLU 47 19.859 22.513 9.869 381 HG3 GLU 47 HG3 GLU 47 21.046 23.267 10.920 382 H1 GLY 1 H1 GLY 1 -13.345 30.827 -20.141 383 H2 GLY 1 H2 GLY 1 -13.921 31.766 -18.930 384 H3 GLY 1 H3 GLY 1 -14.615 30.316 -19.242 385 HA2 GLY 1 HA2 GLY 1 -11.865 30.707 -18.249 386 HA3 GLY 1 HA3 GLY 1 -13.242 30.188 -17.260 387 H SER 2 H SER 2 -10.565 28.906 -18.293 388 HA SER 2 HA SER 2 -11.285 26.708 -19.996 389 HB2 SER 2 HB2 SER 2 -9.029 25.927 -19.537 390 HB3 SER 2 HB3 SER 2 -9.011 27.680 -19.794 391 HG SER 2 HG SER 2 -7.783 27.163 -17.967 392 H HIS 3 H HIS 3 -11.652 27.096 -16.575 393 HA HIS 3 HA HIS 3 -12.075 25.763 -14.823 394 HB2 HIS 3 HB2 HIS 3 -13.370 23.970 -16.898 395 HB3 HIS 3 HB3 HIS 3 -13.544 23.785 -15.161 396 HD1 HIS 3 HD1 HIS 3 -14.361 26.573 -17.788 397 HD2 HIS 3 HD2 HIS 3 -15.449 25.077 -14.001 398 HE1 HIS 3 HE1 HIS 3 -16.420 27.879 -17.068 399 H MET 4 H MET 4 -9.499 25.339 -16.350 400 HA MET 4 HA MET 4 -7.627 24.085 -16.267 401 HB2 MET 4 HB2 MET 4 -8.632 23.418 -13.478 402 HB3 MET 4 HB3 MET 4 -6.972 23.279 -14.064 403 HG2 MET 4 HG2 MET 4 -6.909 25.272 -12.940 404 HG3 MET 4 HG3 MET 4 -7.109 25.788 -14.610 405 HE1 MET 4 HE1 MET 4 -7.452 27.783 -12.236 406 HE2 MET 4 HE2 MET 4 -7.763 28.217 -13.934 407 HE3 MET 4 HE3 MET 4 -8.955 28.622 -12.678 408 H GLU 5 H GLU 5 -9.737 22.701 -17.586 409 HA GLU 5 HA GLU 5 -9.947 19.961 -16.843 410 HB2 GLU 5 HB2 GLU 5 -10.256 21.315 -19.542 411 HB3 GLU 5 HB3 GLU 5 -10.681 19.629 -19.206 412 HG2 GLU 5 HG2 GLU 5 -12.256 20.387 -17.427 413 HG3 GLU 5 HG3 GLU 5 -11.924 22.064 -17.853 414 H TYR 6 H TYR 6 -9.046 18.069 -17.662 415 HA TYR 6 HA TYR 6 -6.586 18.095 -19.259 416 HB2 TYR 6 HB2 TYR 6 -6.764 17.185 -16.352 417 HB3 TYR 6 HB3 TYR 6 -5.574 16.550 -17.449 418 HD1 TYR 6 HD1 TYR 6 -5.025 17.915 -14.757 419 HD2 TYR 6 HD2 TYR 6 -5.011 19.403 -18.834 420 HE1 TYR 6 HE1 TYR 6 -2.978 19.080 -14.326 421 HE2 TYR 6 HE2 TYR 6 -3.077 20.828 -18.275 422 HH TYR 6 HH TYR 6 -1.631 21.497 -16.632 423 H ASP 7 H ASP 7 -6.104 16.161 -20.172 424 HA ASP 7 HA ASP 7 -7.875 13.810 -19.691 425 HB2 ASP 7 HB2 ASP 7 -7.054 14.985 -22.365 426 HB3 ASP 7 HB3 ASP 7 -7.899 13.448 -22.161 427 H GLY 8 H GLY 8 -4.936 14.645 -19.085 428 HA2 GLY 8 HA2 GLY 8 -3.798 12.231 -18.647 429 HA3 GLY 8 HA3 GLY 8 -3.362 12.486 -20.338 430 H GLN 9 H GLN 9 -2.828 15.256 -20.324 431 HA GLN 9 HA GLN 9 -0.148 15.326 -19.342 432 HB2 GLN 9 HB2 GLN 9 -0.952 16.410 -21.376 433 HB3 GLN 9 HB3 GLN 9 -1.955 17.512 -20.453 434 HG2 GLN 9 HG2 GLN 9 1.010 17.460 -19.840 435 HG3 GLN 9 HG3 GLN 9 0.533 18.077 -21.405 436 HE21 GLN 9 HE21 GLN 9 0.572 20.822 -18.719 437 HE22 GLN 9 HE22 GLN 9 1.647 19.435 -18.841 438 H LEU 10 H LEU 10 0.821 16.705 -17.816 439 HA LEU 10 HA LEU 10 -0.850 18.077 -15.809 440 HB2 LEU 10 HB2 LEU 10 -0.376 15.749 -15.037 441 HB3 LEU 10 HB3 LEU 10 1.355 16.094 -15.067 442 HG LEU 10 HG LEU 10 0.264 15.955 -12.907 443 HD11 LEU 10 HD11 LEU 10 2.238 17.579 -13.435 444 HD12 LEU 10 HD12 LEU 10 1.448 17.504 -11.853 445 HD13 LEU 10 HD13 LEU 10 1.040 18.813 -12.996 446 HD21 LEU 10 HD21 LEU 10 -1.093 18.560 -13.586 447 HD22 LEU 10 HD22 LEU 10 -1.440 17.508 -12.210 448 HD23 LEU 10 HD23 LEU 10 -1.890 16.983 -13.825 449 H ASP 11 H ASP 11 -0.012 19.971 -15.132 450 HA ASP 11 HA ASP 11 2.100 21.187 -16.499 451 HB2 ASP 11 HB2 ASP 11 0.081 22.042 -14.782 452 HB3 ASP 11 HB3 ASP 11 1.505 22.222 -13.783 453 H SER 12 H SER 12 4.263 21.574 -16.094 454 HA SER 12 HA SER 12 5.733 19.620 -14.680 455 HB2 SER 12 HB2 SER 12 7.663 20.971 -15.193 456 HB3 SER 12 HB3 SER 12 6.541 20.896 -16.572 457 HG SER 12 HG SER 12 7.331 23.029 -16.212 458 H GLU 13 H GLU 13 4.551 22.701 -13.585 459 HA GLU 13 HA GLU 13 6.047 22.997 -11.191 460 HB2 GLU 13 HB2 GLU 13 3.316 23.949 -12.129 461 HB3 GLU 13 HB3 GLU 13 3.975 24.442 -10.583 462 HG2 GLU 13 HG2 GLU 13 5.373 24.922 -13.257 463 HG3 GLU 13 HG3 GLU 13 4.256 26.062 -12.518 464 H TRP 14 H TRP 14 3.277 20.952 -11.791 465 HA TRP 14 HA TRP 14 3.068 20.372 -8.875 466 HB2 TRP 14 HB2 TRP 14 1.055 19.273 -10.725 467 HB3 TRP 14 HB3 TRP 14 0.910 19.849 -9.066 468 HD1 TRP 14 HD1 TRP 14 -0.066 20.707 -12.411 469 HE1 TRP 14 HE1 TRP 14 -0.489 23.224 -12.757 470 HE3 TRP 14 HE3 TRP 14 1.821 22.508 -8.003 471 HZ2 TRP 14 HZ2 TRP 14 0.157 25.710 -11.429 472 HZ3 TRP 14 HZ3 TRP 14 1.953 24.954 -7.581 473 HH2 TRP 14 HH2 TRP 14 1.153 26.563 -9.297 474 H GLU 15 H GLU 15 3.718 18.860 -11.968 475 HA GLU 15 HA GLU 15 4.132 16.136 -11.280 476 HB2 GLU 15 HB2 GLU 15 4.268 16.722 -13.553 477 HB3 GLU 15 HB3 GLU 15 5.308 18.116 -13.225 478 HG2 GLU 15 HG2 GLU 15 7.221 16.777 -12.904 479 HG3 GLU 15 HG3 GLU 15 6.270 15.275 -12.862 480 H LYS 16 H LYS 16 6.302 18.946 -11.024 481 HA LYS 16 HA LYS 16 8.517 17.477 -9.893 482 HB2 LYS 16 HB2 LYS 16 9.528 19.586 -9.382 483 HB3 LYS 16 HB3 LYS 16 8.811 19.606 -10.985 484 HG2 LYS 16 HG2 LYS 16 8.065 21.609 -10.376 485 HG3 LYS 16 HG3 LYS 16 6.756 20.679 -9.654 486 HD2 LYS 16 HD2 LYS 16 7.973 20.726 -7.455 487 HD3 LYS 16 HD3 LYS 16 9.298 21.607 -8.192 488 HE2 LYS 16 HE2 LYS 16 6.448 22.682 -7.981 489 HE3 LYS 16 HE3 LYS 16 7.707 22.941 -6.776 490 HZ1 LYS 16 HZ1 LYS 16 7.647 24.024 -9.535 491 HZ2 LYS 16 HZ2 LYS 16 9.051 23.944 -8.672 492 HZ3 LYS 16 HZ3 LYS 16 7.775 24.813 -8.148 493 H LEU 17 H LEU 17 5.753 19.001 -8.325 494 HA LEU 17 HA LEU 17 6.690 18.713 -5.614 495 HB2 LEU 17 HB2 LEU 17 3.848 18.861 -6.700 496 HB3 LEU 17 HB3 LEU 17 4.270 19.060 -5.019 497 HG LEU 17 HG LEU 17 5.334 20.881 -7.202 498 HD11 LEU 17 HD11 LEU 17 3.107 21.533 -5.260 499 HD12 LEU 17 HD12 LEU 17 2.779 20.863 -6.885 500 HD13 LEU 17 HD13 LEU 17 3.637 22.415 -6.699 501 HD21 LEU 17 HD21 LEU 17 5.689 22.429 -5.292 502 HD22 LEU 17 HD22 LEU 17 6.651 20.947 -5.116 503 HD23 LEU 17 HD23 LEU 17 5.136 21.144 -4.193 504 H VAL 18 H VAL 18 4.479 16.653 -7.604 505 HA VAL 18 HA VAL 18 4.230 14.684 -5.499 506 HB VAL 18 HB VAL 18 2.588 14.819 -7.252 507 HG11 VAL 18 HG11 VAL 18 3.791 15.347 -9.216 508 HG12 VAL 18 HG12 VAL 18 4.798 13.911 -9.132 509 HG13 VAL 18 HG13 VAL 18 3.065 13.734 -9.480 510 HG21 VAL 18 HG21 VAL 18 3.992 12.102 -7.276 511 HG22 VAL 18 HG22 VAL 18 2.878 12.699 -6.036 512 HG23 VAL 18 HG23 VAL 18 2.308 12.478 -7.704 513 H ARG 19 H ARG 19 6.509 14.818 -8.293 514 HA ARG 19 HA ARG 19 7.751 12.274 -7.722 515 HB2 ARG 19 HB2 ARG 19 8.735 14.835 -9.077 516 HB3 ARG 19 HB3 ARG 19 9.681 13.324 -9.035 517 HG2 ARG 19 HG2 ARG 19 7.777 12.188 -10.168 518 HG3 ARG 19 HG3 ARG 19 6.953 13.708 -10.363 519 HD2 ARG 19 HD2 ARG 19 9.653 12.887 -11.487 520 HD3 ARG 19 HD3 ARG 19 8.106 12.967 -12.354 521 HE ARG 19 HE ARG 19 8.431 15.524 -11.357 522 HH11 ARG 19 HH11 ARG 19 9.493 17.256 -12.342 523 HH12 ARG 19 HH12 ARG 19 10.688 16.945 -13.562 524 HH21 ARG 19 HH21 ARG 19 10.432 13.537 -13.437 525 HH22 ARG 19 HH22 ARG 19 11.215 14.911 -14.165 526 H ASP 20 H ASP 20 8.522 15.542 -6.621 527 HA ASP 20 HA ASP 20 10.789 14.992 -4.980 528 HB2 ASP 20 HB2 ASP 20 8.579 17.037 -5.093 529 HB3 ASP 20 HB3 ASP 20 9.627 17.031 -3.690 530 H ALA 21 H ALA 21 7.269 14.966 -4.104 531 HA ALA 21 HA ALA 21 7.693 14.215 -1.378 532 HB1 ALA 21 HB1 ALA 21 5.348 13.669 -3.245 533 HB2 ALA 21 HB2 ALA 21 5.319 13.512 -1.484 534 HB3 ALA 21 HB3 ALA 21 5.582 15.108 -2.214 535 H MET 22 H MET 22 7.240 12.183 -4.324 536 HA MET 22 HA MET 22 7.310 9.715 -2.954 537 HB2 MET 22 HB2 MET 22 8.277 10.232 -5.784 538 HB3 MET 22 HB3 MET 22 7.939 8.677 -5.034 539 HG2 MET 22 HG2 MET 22 6.111 10.439 -6.407 540 HG3 MET 22 HG3 MET 22 6.010 8.796 -6.054 541 HE1 MET 22 HE1 MET 22 5.554 8.573 -2.660 542 HE2 MET 22 HE2 MET 22 3.850 8.338 -3.121 543 HE3 MET 22 HE3 MET 22 5.150 7.724 -4.168 544 H THR 23 H THR 23 10.066 11.523 -4.440 545 HA THR 23 HA THR 23 11.998 9.509 -3.686 546 HB THR 23 HB THR 23 13.702 11.165 -4.347 547 HG1 THR 23 HG1 THR 23 12.805 13.100 -3.820 548 HG21 THR 23 HG21 THR 23 12.734 9.732 -6.048 549 HG22 THR 23 HG22 THR 23 13.058 11.339 -6.720 550 HG23 THR 23 HG23 THR 23 11.394 10.865 -6.309 551 H SER 24 H SER 24 10.858 12.454 -2.042 552 HA SER 24 HA SER 24 12.981 12.203 -0.033 553 HB2 SER 24 HB2 SER 24 12.035 14.381 -1.026 554 HB3 SER 24 HB3 SER 24 10.703 14.169 0.123 555 HG SER 24 HG SER 24 12.295 14.028 1.779 556 H GLY 25 H GLY 25 10.349 10.347 -0.345 557 HA2 GLY 25 HA2 GLY 25 9.533 8.761 1.104 558 HA3 GLY 25 HA3 GLY 25 10.575 9.408 2.370 559 H VAL 26 H VAL 26 8.117 11.380 0.765 560 HA VAL 26 HA VAL 26 6.806 12.067 3.277 561 HB VAL 26 HB VAL 26 6.384 12.770 0.376 562 HG11 VAL 26 HG11 VAL 26 4.566 13.592 2.609 563 HG12 VAL 26 HG12 VAL 26 4.810 14.558 1.141 564 HG13 VAL 26 HG13 VAL 26 4.154 12.914 1.031 565 HG21 VAL 26 HG21 VAL 26 7.240 14.289 2.867 566 HG22 VAL 26 HG22 VAL 26 8.285 13.790 1.522 567 HG23 VAL 26 HG23 VAL 26 7.036 15.014 1.270 568 H SER 27 H SER 27 4.682 11.683 3.925 569 HA SER 27 HA SER 27 3.731 9.079 3.736 570 HB2 SER 27 HB2 SER 27 2.207 11.589 4.471 571 HB3 SER 27 HB3 SER 27 1.677 9.925 4.800 572 HG SER 27 HG SER 27 3.404 9.653 6.173 573 H LYS 28 H LYS 28 3.237 8.160 1.832 574 HA LYS 28 HA LYS 28 2.067 9.395 -0.405 575 HB2 LYS 28 HB2 LYS 28 1.770 6.427 0.222 576 HB3 LYS 28 HB3 LYS 28 1.845 7.219 -1.353 577 HG2 LYS 28 HG2 LYS 28 4.253 7.885 -0.766 578 HG3 LYS 28 HG3 LYS 28 4.112 6.817 0.640 579 HD2 LYS 28 HD2 LYS 28 3.503 4.922 -0.933 580 HD3 LYS 28 HD3 LYS 28 3.785 6.024 -2.278 581 HE2 LYS 28 HE2 LYS 28 5.752 4.758 -2.120 582 HE3 LYS 28 HE3 LYS 28 6.162 6.338 -1.448 583 HZ1 LYS 28 HZ1 LYS 28 6.982 4.446 -0.112 584 HZ2 LYS 28 HZ2 LYS 28 5.461 3.936 0.164 585 HZ3 LYS 28 HZ3 LYS 28 5.961 5.375 0.773 586 H LYS 29 H LYS 29 0.481 7.674 2.252 587 HA LYS 29 HA LYS 29 -2.205 7.750 1.291 588 HB2 LYS 29 HB2 LYS 29 -2.805 7.298 3.621 589 HB3 LYS 29 HB3 LYS 29 -1.480 6.281 3.055 590 HG2 LYS 29 HG2 LYS 29 -0.096 8.400 4.206 591 HG3 LYS 29 HG3 LYS 29 -1.536 8.356 5.204 592 HD2 LYS 29 HD2 LYS 29 0.347 6.031 4.621 593 HD3 LYS 29 HD3 LYS 29 0.331 6.993 6.109 594 HE2 LYS 29 HE2 LYS 29 -1.994 6.247 6.585 595 HE3 LYS 29 HE3 LYS 29 -1.988 5.270 5.112 596 HZ1 LYS 29 HZ1 LYS 29 -0.156 3.967 6.059 597 HZ2 LYS 29 HZ2 LYS 29 -1.444 3.928 7.058 598 HZ3 LYS 29 HZ3 LYS 29 -0.161 4.868 7.423 599 H GLN 30 H GLN 30 -0.332 10.225 3.019 600 HA GLN 30 HA GLN 30 -2.645 11.862 3.591 601 HB2 GLN 30 HB2 GLN 30 0.326 12.542 3.496 602 HB3 GLN 30 HB3 GLN 30 -0.933 13.657 4.029 603 HG2 GLN 30 HG2 GLN 30 -0.253 11.005 5.349 604 HG3 GLN 30 HG3 GLN 30 0.190 12.610 5.931 605 HE21 GLN 30 HE21 GLN 30 -1.224 10.804 7.570 606 HE22 GLN 30 HE22 GLN 30 -2.852 11.444 7.765 607 H PHE 31 H PHE 31 -0.425 11.663 0.850 608 HA PHE 31 HA PHE 31 -1.239 13.962 -0.620 609 HB2 PHE 31 HB2 PHE 31 0.344 11.628 -1.043 610 HB3 PHE 31 HB3 PHE 31 -0.848 11.616 -2.315 611 HD1 PHE 31 HD1 PHE 31 1.813 13.695 -0.676 612 HD2 PHE 31 HD2 PHE 31 -0.545 13.037 -4.230 613 HE1 PHE 31 HE1 PHE 31 3.114 15.434 -1.859 614 HE2 PHE 31 HE2 PHE 31 0.839 14.698 -5.441 615 HZ PHE 31 HZ PHE 31 2.613 15.975 -4.229 616 H ARG 32 H ARG 32 -2.706 10.691 -0.656 617 HA ARG 32 HA ARG 32 -4.972 11.419 -2.252 618 HB2 ARG 32 HB2 ARG 32 -4.258 9.114 -2.081 619 HB3 ARG 32 HB3 ARG 32 -4.452 9.123 -0.334 620 HG2 ARG 32 HG2 ARG 32 -6.288 7.901 -1.385 621 HG3 ARG 32 HG3 ARG 32 -6.885 9.316 -0.545 622 HD2 ARG 32 HD2 ARG 32 -6.837 10.506 -2.862 623 HD3 ARG 32 HD3 ARG 32 -6.639 8.910 -3.562 624 HE ARG 32 HE ARG 32 -9.019 10.077 -2.256 625 HH11 ARG 32 HH11 ARG 32 -7.744 6.983 -3.366 626 HH12 ARG 32 HH12 ARG 32 -9.334 6.272 -3.332 627 HH21 ARG 32 HH21 ARG 32 -11.108 7.505 -2.674 628 HH22 ARG 32 HH22 ARG 32 -10.826 9.179 -2.181 629 H GLU 33 H GLU 33 -4.795 11.026 1.315 630 HA GLU 33 HA GLU 33 -7.537 11.775 1.708 631 HB2 GLU 33 HB2 GLU 33 -5.197 12.070 3.632 632 HB3 GLU 33 HB3 GLU 33 -6.899 12.239 4.059 633 HG2 GLU 33 HG2 GLU 33 -5.488 9.709 3.164 634 HG3 GLU 33 HG3 GLU 33 -6.138 10.065 4.758 635 H PHE 34 H PHE 34 -4.601 13.865 1.602 636 HA PHE 34 HA PHE 34 -6.045 16.255 2.271 637 HB2 PHE 34 HB2 PHE 34 -3.517 15.774 2.432 638 HB3 PHE 34 HB3 PHE 34 -3.450 16.239 0.732 639 HD1 PHE 34 HD1 PHE 34 -4.294 18.642 0.133 640 HD2 PHE 34 HD2 PHE 34 -3.670 17.302 4.191 641 HE1 PHE 34 HE1 PHE 34 -4.440 20.972 0.940 642 HE2 PHE 34 HE2 PHE 34 -3.718 19.656 4.973 643 HZ PHE 34 HZ PHE 34 -4.122 21.498 3.351 644 H LEU 35 H LEU 35 -5.284 14.659 -0.878 645 HA LEU 35 HA LEU 35 -6.352 16.668 -2.573 646 HB2 LEU 35 HB2 LEU 35 -5.470 13.993 -2.851 647 HB3 LEU 35 HB3 LEU 35 -7.126 13.926 -3.384 648 HG LEU 35 HG LEU 35 -5.689 14.255 -5.269 649 HD11 LEU 35 HD11 LEU 35 -7.003 16.930 -4.755 650 HD12 LEU 35 HD12 LEU 35 -7.885 15.462 -5.222 651 HD13 LEU 35 HD13 LEU 35 -6.673 16.130 -6.308 652 HD21 LEU 35 HD21 LEU 35 -4.676 16.821 -4.037 653 HD22 LEU 35 HD22 LEU 35 -4.100 15.982 -5.494 654 HD23 LEU 35 HD23 LEU 35 -3.838 15.252 -3.915 655 H ASP 36 H ASP 36 -8.113 13.896 -1.089 656 HA ASP 36 HA ASP 36 -10.677 14.766 -2.041 657 HB2 ASP 36 HB2 ASP 36 -9.930 12.832 0.153 658 HB3 ASP 36 HB3 ASP 36 -11.582 13.133 -0.388 659 H TYR 37 H TYR 37 -8.992 15.410 1.038 660 HA TYR 37 HA TYR 37 -11.008 16.855 2.390 661 HB2 TYR 37 HB2 TYR 37 -8.977 16.292 3.496 662 HB3 TYR 37 HB3 TYR 37 -8.003 17.060 2.258 663 HD1 TYR 37 HD1 TYR 37 -6.680 18.579 3.445 664 HD2 TYR 37 HD2 TYR 37 -10.951 18.511 4.079 665 HE1 TYR 37 HE1 TYR 37 -6.501 20.598 4.892 666 HE2 TYR 37 HE2 TYR 37 -10.764 20.513 5.511 667 HH TYR 37 HH TYR 37 -7.660 22.179 6.152 668 H GLN 38 H GLN 38 -8.505 18.205 0.117 669 HA GLN 38 HA GLN 38 -9.743 20.817 0.126 670 HB2 GLN 38 HB2 GLN 38 -7.779 19.550 -1.820 671 HB3 GLN 38 HB3 GLN 38 -8.331 21.211 -1.931 672 HG2 GLN 38 HG2 GLN 38 -6.865 20.010 0.459 673 HG3 GLN 38 HG3 GLN 38 -6.143 21.027 -0.792 674 HE21 GLN 38 HE21 GLN 38 -7.236 21.202 2.338 675 HE22 GLN 38 HE22 GLN 38 -7.690 22.898 2.332 676 H LYS 39 H LYS 39 -10.207 17.998 -2.052 677 HA LYS 39 HA LYS 39 -11.823 19.246 -4.038 678 HB2 LYS 39 HB2 LYS 39 -11.644 16.485 -2.814 679 HB3 LYS 39 HB3 LYS 39 -12.946 16.818 -3.932 680 HG2 LYS 39 HG2 LYS 39 -11.569 17.052 -5.744 681 HG3 LYS 39 HG3 LYS 39 -10.088 17.345 -4.804 682 HD2 LYS 39 HD2 LYS 39 -9.903 15.062 -4.250 683 HD3 LYS 39 HD3 LYS 39 -11.613 14.727 -4.568 684 HE2 LYS 39 HE2 LYS 39 -11.302 14.946 -6.958 685 HE3 LYS 39 HE3 LYS 39 -9.637 15.466 -6.762 686 HZ1 LYS 39 HZ1 LYS 39 -10.765 12.792 -6.026 687 HZ2 LYS 39 HZ2 LYS 39 -9.247 13.224 -5.667 688 HZ3 LYS 39 HZ3 LYS 39 -9.692 13.057 -7.236 689 H TRP 40 H TRP 40 -12.911 17.621 -1.031 690 HA TRP 40 HA TRP 40 -15.654 18.488 -1.394 691 HB2 TRP 40 HB2 TRP 40 -14.127 16.789 0.503 692 HB3 TRP 40 HB3 TRP 40 -15.610 17.491 1.112 693 HD1 TRP 40 HD1 TRP 40 -17.850 16.528 0.402 694 HE1 TRP 40 HE1 TRP 40 -18.613 14.491 -0.986 695 HE3 TRP 40 HE3 TRP 40 -13.410 15.322 -1.856 696 HZ2 TRP 40 HZ2 TRP 40 -17.529 12.775 -2.996 697 HZ3 TRP 40 HZ3 TRP 40 -13.312 13.480 -3.521 698 HH2 TRP 40 HH2 TRP 40 -15.364 12.216 -4.115 699 H ARG 41 H ARG 41 -13.066 20.336 -0.241 700 HA ARG 41 HA ARG 41 -14.964 22.164 1.195 701 HB2 ARG 41 HB2 ARG 41 -12.026 21.589 1.400 702 HB3 ARG 41 HB3 ARG 41 -12.467 23.270 1.410 703 HG2 ARG 41 HG2 ARG 41 -12.446 22.643 3.702 704 HG3 ARG 41 HG3 ARG 41 -14.131 22.804 3.252 705 HD2 ARG 41 HD2 ARG 41 -13.835 20.096 2.790 706 HD3 ARG 41 HD3 ARG 41 -12.546 20.342 3.938 707 HE ARG 41 HE ARG 41 -14.232 21.249 5.534 708 HH11 ARG 41 HH11 ARG 41 -15.857 19.878 2.689 709 HH12 ARG 41 HH12 ARG 41 -17.211 19.397 3.716 710 HH21 ARG 41 HH21 ARG 41 -16.040 20.382 6.663 711 HH22 ARG 41 HH22 ARG 41 -17.333 19.720 5.645 712 H LYS 42 H LYS 42 -12.522 22.171 -1.389 713 HA LYS 42 HA LYS 42 -13.126 24.873 -2.320 714 HB2 LYS 42 HB2 LYS 42 -11.439 22.620 -3.529 715 HB3 LYS 42 HB3 LYS 42 -11.497 24.272 -4.121 716 HG2 LYS 42 HG2 LYS 42 -10.388 23.378 -1.423 717 HG3 LYS 42 HG3 LYS 42 -9.492 23.895 -2.841 718 HD2 LYS 42 HD2 LYS 42 -9.411 25.838 -1.663 719 HD3 LYS 42 HD3 LYS 42 -10.893 26.142 -2.566 720 HE2 LYS 42 HE2 LYS 42 -12.206 25.326 -0.567 721 HE3 LYS 42 HE3 LYS 42 -10.684 25.044 0.286 722 HZ1 LYS 42 HZ1 LYS 42 -10.221 27.430 0.110 723 HZ2 LYS 42 HZ2 LYS 42 -11.645 27.198 0.873 724 HZ3 LYS 42 HZ3 LYS 42 -11.625 27.695 -0.681 725 H SER 43 H SER 43 -13.679 21.626 -3.752 726 HA SER 43 HA SER 43 -15.435 22.828 -5.832 727 HB2 SER 43 HB2 SER 43 -13.842 21.149 -6.547 728 HB3 SER 43 HB3 SER 43 -14.467 19.987 -5.376 729 HG SER 43 HG SER 43 -15.870 21.092 -7.593 730 H GLN 44 H GLN 44 -15.604 20.810 -2.907 731 HA GLN 44 HA GLN 44 -17.305 20.181 -1.571 732 HB2 GLN 44 HB2 GLN 44 -17.628 22.883 -1.988 733 HB3 GLN 44 HB3 GLN 44 -19.240 22.296 -2.350 734 HG2 GLN 44 HG2 GLN 44 -17.627 21.910 0.208 735 HG3 GLN 44 HG3 GLN 44 -19.020 22.949 -0.007 736 HE21 GLN 44 HE21 GLN 44 -17.981 19.756 0.839 737 HE22 GLN 44 HE22 GLN 44 -19.606 19.154 1.161 738 H LYS 45 H LYS 45 -17.097 18.922 -3.996 739 HA LYS 45 HA LYS 45 -19.428 18.707 -5.550 740 HB2 LYS 45 HB2 LYS 45 -18.236 16.939 -6.703 741 HB3 LYS 45 HB3 LYS 45 -17.186 18.288 -6.318 742 HG2 LYS 45 HG2 LYS 45 -16.722 16.643 -4.135 743 HG3 LYS 45 HG3 LYS 45 -17.093 15.459 -5.379 744 HD2 LYS 45 HD2 LYS 45 -14.888 17.562 -5.382 745 HD3 LYS 45 HD3 LYS 45 -14.706 15.815 -5.299 746 HE2 LYS 45 HE2 LYS 45 -14.511 15.701 -7.517 747 HE3 LYS 45 HE3 LYS 45 -16.163 16.287 -7.688 748 HZ1 LYS 45 HZ1 LYS 45 -13.716 17.992 -7.558 749 HZ2 LYS 45 HZ2 LYS 45 -15.236 18.593 -7.606 750 HZ3 LYS 45 HZ3 LYS 45 -14.652 17.738 -8.874 751 H GLU 46 H GLU 46 -18.986 17.303 -2.558 752 HA GLU 46 HA GLU 46 -20.241 16.092 -1.188 753 HB2 GLU 46 HB2 GLU 46 -21.958 17.638 -2.111 754 HB3 GLU 46 HB3 GLU 46 -22.492 16.329 -3.182 755 HG2 GLU 46 HG2 GLU 46 -22.972 14.918 -1.190 756 HG3 GLU 46 HG3 GLU 46 -22.362 16.205 -0.139 757 H GLU 47 H GLU 47 -20.844 14.696 -4.445 758 HA GLU 47 HA GLU 47 -20.192 11.978 -3.464 759 HB2 GLU 47 HB2 GLU 47 -22.573 12.164 -2.988 760 HB3 GLU 47 HB3 GLU 47 -22.893 12.763 -4.609 761 HG2 GLU 47 HG2 GLU 47 -23.588 10.456 -4.413 762 HG3 GLU 47 HG3 GLU 47 -22.305 10.610 -5.598 763 H1 GLY 1 H1 GLY 1 -25.446 0.195 25.611 764 H2 GLY 1 H2 GLY 1 -25.223 0.212 23.987 765 H3 GLY 1 H3 GLY 1 -25.786 1.546 24.752 766 HA2 GLY 1 HA2 GLY 1 -23.099 0.376 25.086 767 HA3 GLY 1 HA3 GLY 1 -23.473 1.853 24.179 768 H SER 2 H SER 2 -22.197 3.198 25.463 769 HA SER 2 HA SER 2 -23.350 4.081 28.023 770 HB2 SER 2 HB2 SER 2 -21.230 3.884 29.241 771 HB3 SER 2 HB3 SER 2 -21.833 2.299 28.741 772 HG SER 2 HG SER 2 -19.584 2.540 28.341 773 H HIS 3 H HIS 3 -22.305 6.072 28.830 774 HA HIS 3 HA HIS 3 -21.913 7.988 26.704 775 HB2 HIS 3 HB2 HIS 3 -23.077 8.421 28.880 776 HB3 HIS 3 HB3 HIS 3 -21.515 8.334 29.697 777 HD1 HIS 3 HD1 HIS 3 -23.150 10.449 26.849 778 HD2 HIS 3 HD2 HIS 3 -20.228 10.620 29.877 779 HE1 HIS 3 HE1 HIS 3 -22.241 12.831 26.834 780 H MET 4 H MET 4 -20.120 9.426 26.448 781 HA MET 4 HA MET 4 -17.598 8.071 26.127 782 HB2 MET 4 HB2 MET 4 -18.366 11.000 25.855 783 HB3 MET 4 HB3 MET 4 -16.832 10.305 25.316 784 HG2 MET 4 HG2 MET 4 -18.006 8.819 23.759 785 HG3 MET 4 HG3 MET 4 -19.566 9.453 24.277 786 HE1 MET 4 HE1 MET 4 -19.125 12.645 24.467 787 HE2 MET 4 HE2 MET 4 -19.693 13.041 22.833 788 HE3 MET 4 HE3 MET 4 -20.513 11.774 23.774 789 H GLU 5 H GLU 5 -15.535 8.641 26.988 790 HA GLU 5 HA GLU 5 -15.449 9.227 29.810 791 HB2 GLU 5 HB2 GLU 5 -13.885 7.730 28.650 792 HB3 GLU 5 HB3 GLU 5 -13.238 9.092 27.722 793 HG2 GLU 5 HG2 GLU 5 -12.391 10.136 29.775 794 HG3 GLU 5 HG3 GLU 5 -13.125 8.863 30.758 795 H TYR 6 H TYR 6 -15.149 11.152 27.001 796 HA TYR 6 HA TYR 6 -14.374 13.634 28.440 797 HB2 TYR 6 HB2 TYR 6 -14.465 12.774 25.584 798 HB3 TYR 6 HB3 TYR 6 -14.912 14.445 25.910 799 HD1 TYR 6 HD1 TYR 6 -12.283 12.243 27.528 800 HD2 TYR 6 HD2 TYR 6 -13.071 15.754 25.122 801 HE1 TYR 6 HE1 TYR 6 -9.950 13.002 27.824 802 HE2 TYR 6 HE2 TYR 6 -10.811 16.509 25.459 803 HH TYR 6 HH TYR 6 -8.417 14.570 27.292 804 H ASP 7 H ASP 7 -15.787 14.923 29.291 805 HA ASP 7 HA ASP 7 -18.602 15.086 28.332 806 HB2 ASP 7 HB2 ASP 7 -19.390 14.825 30.608 807 HB3 ASP 7 HB3 ASP 7 -18.421 13.434 30.149 808 H GLY 8 H GLY 8 -16.086 16.911 28.433 809 HA2 GLY 8 HA2 GLY 8 -16.829 19.454 28.337 810 HA3 GLY 8 HA3 GLY 8 -17.027 19.206 30.077 811 H GLN 9 H GLN 9 -14.755 17.378 30.329 812 HA GLN 9 HA GLN 9 -12.523 19.073 30.722 813 HB2 GLN 9 HB2 GLN 9 -12.747 16.995 31.918 814 HB3 GLN 9 HB3 GLN 9 -12.882 16.074 30.425 815 HG2 GLN 9 HG2 GLN 9 -10.754 15.624 31.412 816 HG3 GLN 9 HG3 GLN 9 -10.497 16.487 29.904 817 HE21 GLN 9 HE21 GLN 9 -8.365 16.399 31.542 818 HE22 GLN 9 HE22 GLN 9 -8.128 17.983 32.270 819 H LEU 10 H LEU 10 -10.537 19.222 29.672 820 HA LEU 10 HA LEU 10 -10.106 17.865 27.121 821 HB2 LEU 10 HB2 LEU 10 -11.119 20.128 26.623 822 HB3 LEU 10 HB3 LEU 10 -9.689 20.858 27.374 823 HG LEU 10 HG LEU 10 -9.788 20.954 24.958 824 HD11 LEU 10 HD11 LEU 10 -7.575 20.606 26.212 825 HD12 LEU 10 HD12 LEU 10 -7.661 20.478 24.448 826 HD13 LEU 10 HD13 LEU 10 -7.597 18.996 25.450 827 HD21 LEU 10 HD21 LEU 10 -11.068 18.669 24.960 828 HD22 LEU 10 HD22 LEU 10 -9.433 17.969 24.785 829 HD23 LEU 10 HD23 LEU 10 -10.082 19.086 23.590 830 H ASP 11 H ASP 11 -8.117 17.033 27.063 831 HA ASP 11 HA ASP 11 -6.357 17.153 29.223 832 HB2 ASP 11 HB2 ASP 11 -6.552 15.550 26.996 833 HB3 ASP 11 HB3 ASP 11 -5.206 16.573 26.533 834 H SER 12 H SER 12 -4.550 18.316 29.743 835 HA SER 12 HA SER 12 -4.369 20.988 28.905 836 HB2 SER 12 HB2 SER 12 -2.407 21.129 30.246 837 HB3 SER 12 HB3 SER 12 -3.592 20.061 31.031 838 HG SER 12 HG SER 12 -2.353 18.305 30.558 839 H GLU 13 H GLU 13 -2.671 18.202 27.650 840 HA GLU 13 HA GLU 13 -0.725 19.488 26.018 841 HB2 GLU 13 HB2 GLU 13 -2.070 16.769 26.028 842 HB3 GLU 13 HB3 GLU 13 -0.890 17.186 24.809 843 HG2 GLU 13 HG2 GLU 13 -0.319 17.345 27.808 844 HG3 GLU 13 HG3 GLU 13 -0.062 15.897 26.852 845 H TRP 14 H TRP 14 -4.125 19.036 25.412 846 HA TRP 14 HA TRP 14 -3.709 19.928 22.601 847 HB2 TRP 14 HB2 TRP 14 -6.423 19.150 23.426 848 HB3 TRP 14 HB3 TRP 14 -5.572 18.924 21.907 849 HD1 TRP 14 HD1 TRP 14 -6.991 17.000 24.529 850 HE1 TRP 14 HE1 TRP 14 -5.869 14.715 24.891 851 HE3 TRP 14 HE3 TRP 14 -2.771 17.657 21.692 852 HZ2 TRP 14 HZ2 TRP 14 -3.422 13.384 24.159 853 HZ3 TRP 14 HZ3 TRP 14 -1.066 15.860 21.526 854 HH2 TRP 14 HH2 TRP 14 -1.365 13.730 22.772 855 H GLU 15 H GLU 15 -5.259 20.917 25.595 856 HA GLU 15 HA GLU 15 -6.494 23.352 24.805 857 HB2 GLU 15 HB2 GLU 15 -6.846 22.701 27.016 858 HB3 GLU 15 HB3 GLU 15 -5.153 22.287 27.285 859 HG2 GLU 15 HG2 GLU 15 -4.522 24.652 27.350 860 HG3 GLU 15 HG3 GLU 15 -6.210 25.125 27.081 861 H LYS 16 H LYS 16 -3.140 22.652 25.687 862 HA LYS 16 HA LYS 16 -2.105 25.309 25.299 863 HB2 LYS 16 HB2 LYS 16 0.102 24.329 25.402 864 HB3 LYS 16 HB3 LYS 16 -0.956 23.663 26.638 865 HG2 LYS 16 HG2 LYS 16 -0.097 21.693 25.988 866 HG3 LYS 16 HG3 LYS 16 -1.336 21.793 24.759 867 HD2 LYS 16 HD2 LYS 16 0.513 21.214 23.474 868 HD3 LYS 16 HD3 LYS 16 0.456 22.977 23.297 869 HE2 LYS 16 HE2 LYS 16 2.643 22.791 23.855 870 HE3 LYS 16 HE3 LYS 16 1.946 22.877 25.487 871 HZ1 LYS 16 HZ1 LYS 16 2.792 20.411 24.053 872 HZ2 LYS 16 HZ2 LYS 16 2.009 20.351 25.471 873 HZ3 LYS 16 HZ3 LYS 16 3.493 21.034 25.385 874 H LEU 17 H LEU 17 -2.585 22.707 22.984 875 HA LEU 17 HA LEU 17 -1.112 23.915 20.788 876 HB2 LEU 17 HB2 LEU 17 -3.334 21.847 20.864 877 HB3 LEU 17 HB3 LEU 17 -2.476 22.283 19.408 878 HG LEU 17 HG LEU 17 -1.046 21.212 21.867 879 HD11 LEU 17 HD11 LEU 17 -1.161 19.057 20.841 880 HD12 LEU 17 HD12 LEU 17 -1.834 19.745 19.340 881 HD13 LEU 17 HD13 LEU 17 -2.824 19.679 20.805 882 HD21 LEU 17 HD21 LEU 17 0.469 22.380 20.411 883 HD22 LEU 17 HD22 LEU 17 -0.257 21.627 18.974 884 HD23 LEU 17 HD23 LEU 17 0.664 20.641 20.147 885 H VAL 18 H VAL 18 -4.650 23.776 21.594 886 HA VAL 18 HA VAL 18 -5.347 25.420 19.316 887 HB VAL 18 HB VAL 18 -6.949 23.931 20.343 888 HG11 VAL 18 HG11 VAL 18 -8.128 24.630 22.443 889 HG12 VAL 18 HG12 VAL 18 -6.459 24.044 22.658 890 HG13 VAL 18 HG13 VAL 18 -6.793 25.767 22.734 891 HG21 VAL 18 HG21 VAL 18 -7.707 26.009 19.106 892 HG22 VAL 18 HG22 VAL 18 -8.867 25.345 20.276 893 HG23 VAL 18 HG23 VAL 18 -7.921 26.788 20.680 894 H ARG 19 H ARG 19 -4.738 26.323 22.740 895 HA ARG 19 HA ARG 19 -5.133 29.120 22.380 896 HB2 ARG 19 HB2 ARG 19 -4.962 27.641 24.491 897 HB3 ARG 19 HB3 ARG 19 -3.205 27.765 24.325 898 HG2 ARG 19 HG2 ARG 19 -3.340 30.198 24.658 899 HG3 ARG 19 HG3 ARG 19 -5.113 30.128 24.518 900 HD2 ARG 19 HD2 ARG 19 -4.474 30.371 26.834 901 HD3 ARG 19 HD3 ARG 19 -5.353 28.878 26.527 902 HE ARG 19 HE ARG 19 -2.376 28.747 26.567 903 HH11 ARG 19 HH11 ARG 19 -1.519 26.984 27.676 904 HH12 ARG 19 HH12 ARG 19 -2.524 26.138 28.823 905 HH21 ARG 19 HH21 ARG 19 -5.248 28.125 28.487 906 HH22 ARG 19 HH22 ARG 19 -4.593 26.627 29.134 907 H ASP 20 H ASP 20 -2.166 27.160 21.973 908 HA ASP 20 HA ASP 20 -0.412 29.209 21.074 909 HB2 ASP 20 HB2 ASP 20 -0.679 26.241 20.773 910 HB3 ASP 20 HB3 ASP 20 0.286 27.042 19.557 911 H ALA 21 H ALA 21 -2.870 27.336 19.178 912 HA ALA 21 HA ALA 21 -2.064 28.456 16.660 913 HB1 ALA 21 HB1 ALA 21 -4.748 27.324 17.563 914 HB2 ALA 21 HB2 ALA 21 -4.298 27.674 15.892 915 HB3 ALA 21 HB3 ALA 21 -3.407 26.439 16.796 916 H MET 22 H MET 22 -4.573 29.417 19.026 917 HA MET 22 HA MET 22 -5.524 31.669 17.621 918 HB2 MET 22 HB2 MET 22 -5.379 31.287 20.612 919 HB3 MET 22 HB3 MET 22 -6.337 32.491 19.753 920 HG2 MET 22 HG2 MET 22 -6.976 29.692 20.306 921 HG3 MET 22 HG3 MET 22 -7.984 31.022 19.984 922 HE1 MET 22 HE1 MET 22 -8.781 31.857 18.084 923 HE2 MET 22 HE2 MET 22 -7.583 31.892 16.774 924 HE3 MET 22 HE3 MET 22 -9.105 30.965 16.581 925 H THR 23 H THR 23 -2.774 31.484 19.994 926 HA THR 23 HA THR 23 -2.185 34.323 19.672 927 HB THR 23 HB THR 23 -0.208 33.913 21.032 928 HG1 THR 23 HG1 THR 23 0.171 31.874 21.851 929 HG21 THR 23 HG21 THR 23 -1.328 33.251 23.099 930 HG22 THR 23 HG22 THR 23 -2.695 32.584 22.179 931 HG23 THR 23 HG23 THR 23 -2.361 34.327 22.140 932 H SER 24 H SER 24 -0.838 31.386 18.131 933 HA SER 24 HA SER 24 1.330 32.865 16.931 934 HB2 SER 24 HB2 SER 24 1.461 30.478 17.550 935 HB3 SER 24 HB3 SER 24 0.404 30.068 16.190 936 HG SER 24 HG SER 24 1.911 31.251 14.858 937 H GLY 25 H GLY 25 -1.857 33.195 16.199 938 HA2 GLY 25 HA2 GLY 25 -2.949 34.145 14.404 939 HA3 GLY 25 HA3 GLY 25 -1.383 34.419 13.630 940 H VAL 26 H VAL 26 -2.300 31.179 14.553 941 HA VAL 26 HA VAL 26 -2.110 30.088 11.870 942 HB VAL 26 HB VAL 26 -2.983 29.014 14.536 943 HG11 VAL 26 HG11 VAL 26 -2.680 26.707 13.490 944 HG12 VAL 26 HG12 VAL 26 -4.229 27.561 13.320 945 HG13 VAL 26 HG13 VAL 26 -3.100 27.541 11.972 946 HG21 VAL 26 HG21 VAL 26 -0.562 29.497 14.233 947 HG22 VAL 26 HG22 VAL 26 -0.843 27.764 14.397 948 HG23 VAL 26 HG23 VAL 26 -0.540 28.467 12.797 949 H SER 27 H SER 27 -3.712 29.422 10.501 950 HA SER 27 HA SER 27 -5.916 31.082 10.253 951 HB2 SER 27 HB2 SER 27 -5.450 28.352 9.051 952 HB3 SER 27 HB3 SER 27 -6.702 29.480 8.497 953 HG SER 27 HG SER 27 -5.085 30.929 7.899 954 H LYS 28 H LYS 28 -7.635 31.252 11.565 955 HA LYS 28 HA LYS 28 -8.411 29.239 13.369 956 HB2 LYS 28 HB2 LYS 28 -10.228 30.688 14.029 957 HB3 LYS 28 HB3 LYS 28 -8.760 31.624 13.765 958 HG2 LYS 28 HG2 LYS 28 -9.647 32.325 11.515 959 HG3 LYS 28 HG3 LYS 28 -11.143 31.433 11.862 960 HD2 LYS 28 HD2 LYS 28 -11.524 32.863 13.861 961 HD3 LYS 28 HD3 LYS 28 -10.036 33.761 13.496 962 HE2 LYS 28 HE2 LYS 28 -10.979 34.420 11.291 963 HE3 LYS 28 HE3 LYS 28 -12.461 33.526 11.654 964 HZ1 LYS 28 HZ1 LYS 28 -11.458 35.861 13.201 965 HZ2 LYS 28 HZ2 LYS 28 -12.830 35.036 13.536 966 HZ3 LYS 28 HZ3 LYS 28 -12.707 35.890 12.153 967 H LYS 29 H LYS 29 -9.622 29.749 10.063 968 HA LYS 29 HA LYS 29 -11.877 27.964 10.285 969 HB2 LYS 29 HB2 LYS 29 -11.854 28.002 7.868 970 HB3 LYS 29 HB3 LYS 29 -11.663 29.631 8.523 971 HG2 LYS 29 HG2 LYS 29 -9.021 28.804 8.164 972 HG3 LYS 29 HG3 LYS 29 -9.848 27.950 6.870 973 HD2 LYS 29 HD2 LYS 29 -9.934 30.944 7.449 974 HD3 LYS 29 HD3 LYS 29 -8.939 30.179 6.197 975 HE2 LYS 29 HE2 LYS 29 -10.990 29.356 5.050 976 HE3 LYS 29 HE3 LYS 29 -11.994 30.137 6.276 977 HZ1 LYS 29 HZ1 LYS 29 -11.772 31.532 4.304 978 HZ2 LYS 29 HZ2 LYS 29 -10.146 31.564 4.434 979 HZ3 LYS 29 HZ3 LYS 29 -11.075 32.284 5.571 980 H GLN 30 H GLN 30 -8.428 27.423 9.638 981 HA GLN 30 HA GLN 30 -8.692 24.781 8.601 982 HB2 GLN 30 HB2 GLN 30 -6.392 26.078 10.127 983 HB3 GLN 30 HB3 GLN 30 -6.342 24.474 9.438 984 HG2 GLN 30 HG2 GLN 30 -6.786 27.015 7.849 985 HG3 GLN 30 HG3 GLN 30 -5.237 26.158 8.037 986 HE21 GLN 30 HE21 GLN 30 -6.677 26.763 5.511 987 HE22 GLN 30 HE22 GLN 30 -7.002 25.182 4.812 988 H PHE 31 H PHE 31 -8.744 25.953 11.952 989 HA PHE 31 HA PHE 31 -8.290 23.434 13.223 990 HB2 PHE 31 HB2 PHE 31 -9.222 26.082 14.007 991 HB3 PHE 31 HB3 PHE 31 -10.211 24.841 14.756 992 HD1 PHE 31 HD1 PHE 31 -9.483 23.961 16.789 993 HD2 PHE 31 HD2 PHE 31 -6.582 25.363 13.920 994 HE1 PHE 31 HE1 PHE 31 -7.670 23.396 18.348 995 HE2 PHE 31 HE2 PHE 31 -4.767 24.830 15.495 996 HZ PHE 31 HZ PHE 31 -5.276 23.791 17.709 997 H ARG 32 H ARG 32 -11.420 24.872 12.244 998 HA ARG 32 HA ARG 32 -12.913 22.463 12.800 999 HB2 ARG 32 HB2 ARG 32 -14.000 24.657 12.750 1000 HB3 ARG 32 HB3 ARG 32 -13.468 24.921 11.091 1001 HG2 ARG 32 HG2 ARG 32 -15.820 24.323 11.102 1002 HG3 ARG 32 HG3 ARG 32 -14.886 23.086 10.304 1003 HD2 ARG 32 HD2 ARG 32 -14.911 21.908 12.694 1004 HD3 ARG 32 HD3 ARG 32 -16.308 22.922 12.984 1005 HE ARG 32 HE ARG 32 -15.959 20.652 11.082 1006 HH11 ARG 32 HH11 ARG 32 -18.273 23.217 11.860 1007 HH12 ARG 32 HH12 ARG 32 -19.515 22.372 10.963 1008 HH21 ARG 32 HH21 ARG 32 -17.437 19.808 10.034 1009 HH22 ARG 32 HH22 ARG 32 -19.075 20.475 9.894 1010 H GLU 33 H GLU 33 -11.619 23.776 9.758 1011 HA GLU 33 HA GLU 33 -12.628 21.632 8.172 1012 HB2 GLU 33 HB2 GLU 33 -10.240 23.413 7.591 1013 HB3 GLU 33 HB3 GLU 33 -11.121 22.424 6.430 1014 HG2 GLU 33 HG2 GLU 33 -11.988 24.982 7.710 1015 HG3 GLU 33 HG3 GLU 33 -11.893 24.565 6.015 1016 H PHE 34 H PHE 34 -9.391 21.829 9.780 1017 HA PHE 34 HA PHE 34 -8.661 19.227 8.758 1018 HB2 PHE 34 HB2 PHE 34 -6.656 19.933 9.273 1019 HB3 PHE 34 HB3 PHE 34 -7.241 21.281 10.194 1020 HD1 PHE 34 HD1 PHE 34 -6.041 17.768 10.423 1021 HD2 PHE 34 HD2 PHE 34 -7.452 21.220 12.610 1022 HE1 PHE 34 HE1 PHE 34 -5.333 16.730 12.536 1023 HE2 PHE 34 HE2 PHE 34 -6.665 20.182 14.728 1024 HZ PHE 34 HZ PHE 34 -5.611 17.922 14.671 1025 H LEU 35 H LEU 35 -10.316 20.330 11.752 1026 HA LEU 35 HA LEU 35 -10.519 17.796 13.020 1027 HB2 LEU 35 HB2 LEU 35 -11.939 20.353 13.156 1028 HB3 LEU 35 HB3 LEU 35 -13.107 19.072 13.137 1029 HG LEU 35 HG LEU 35 -12.530 19.734 15.407 1030 HD11 LEU 35 HD11 LEU 35 -11.254 17.032 15.048 1031 HD12 LEU 35 HD12 LEU 35 -12.980 17.269 14.700 1032 HD13 LEU 35 HD13 LEU 35 -12.359 17.625 16.309 1033 HD21 LEU 35 HD21 LEU 35 -10.374 19.455 16.360 1034 HD22 LEU 35 HD22 LEU 35 -10.286 20.565 14.999 1035 HD23 LEU 35 HD23 LEU 35 -9.690 18.907 14.802 1036 H ASP 36 H ASP 36 -12.630 19.202 10.469 1037 HA ASP 36 HA ASP 36 -14.192 16.879 10.015 1038 HB2 ASP 36 HB2 ASP 36 -13.412 19.043 8.028 1039 HB3 ASP 36 HB3 ASP 36 -14.614 17.794 7.755 1040 H TYR 37 H TYR 37 -11.094 17.823 8.357 1041 HA TYR 37 HA TYR 37 -11.081 15.571 6.644 1042 HB2 TYR 37 HB2 TYR 37 -9.611 16.868 5.757 1043 HB3 TYR 37 HB3 TYR 37 -9.356 17.800 7.202 1044 HD1 TYR 37 HD1 TYR 37 -8.130 14.897 5.206 1045 HD2 TYR 37 HD2 TYR 37 -7.382 17.518 8.542 1046 HE1 TYR 37 HE1 TYR 37 -5.728 14.228 5.202 1047 HE2 TYR 37 HE2 TYR 37 -4.975 16.873 8.512 1048 HH TYR 37 HH TYR 37 -3.679 14.379 6.349 1049 H GLN 38 H GLN 38 -9.696 15.754 9.964 1050 HA GLN 38 HA GLN 38 -8.719 12.991 9.754 1051 HB2 GLN 38 HB2 GLN 38 -9.183 14.781 12.176 1052 HB3 GLN 38 HB3 GLN 38 -8.582 13.123 12.247 1053 HG2 GLN 38 HG2 GLN 38 -7.198 15.396 10.762 1054 HG3 GLN 38 HG3 GLN 38 -6.719 14.734 12.331 1055 HE21 GLN 38 HE21 GLN 38 -5.938 14.545 9.080 1056 HE22 GLN 38 HE22 GLN 38 -5.227 12.942 9.121 1057 H LYS 39 H LYS 39 -11.698 14.494 11.125 1058 HA LYS 39 HA LYS 39 -12.966 12.123 12.056 1059 HB2 LYS 39 HB2 LYS 39 -13.934 14.766 10.947 1060 HB3 LYS 39 HB3 LYS 39 -15.081 13.500 11.309 1061 HG2 LYS 39 HG2 LYS 39 -14.613 13.490 13.599 1062 HG3 LYS 39 HG3 LYS 39 -13.145 14.454 13.486 1063 HD2 LYS 39 HD2 LYS 39 -14.351 16.430 12.893 1064 HD3 LYS 39 HD3 LYS 39 -15.839 15.528 12.550 1065 HE2 LYS 39 HE2 LYS 39 -16.048 14.990 14.974 1066 HE3 LYS 39 HE3 LYS 39 -14.600 15.950 15.301 1067 HZ1 LYS 39 HZ1 LYS 39 -17.138 16.986 14.130 1068 HZ2 LYS 39 HZ2 LYS 39 -15.795 17.886 14.322 1069 HZ3 LYS 39 HZ3 LYS 39 -16.591 17.331 15.627 1070 H TRP 40 H TRP 40 -12.905 13.491 8.788 1071 HA TRP 40 HA TRP 40 -14.585 11.954 7.289 1072 HB2 TRP 40 HB2 TRP 40 -12.810 13.913 6.738 1073 HB3 TRP 40 HB3 TRP 40 -11.869 12.589 6.133 1074 HD1 TRP 40 HD1 TRP 40 -13.036 11.208 4.055 1075 HE1 TRP 40 HE1 TRP 40 -14.682 11.970 2.231 1076 HE3 TRP 40 HE3 TRP 40 -14.417 15.772 6.005 1077 HZ2 TRP 40 HZ2 TRP 40 -16.438 14.190 1.742 1078 HZ3 TRP 40 HZ3 TRP 40 -16.093 17.160 4.846 1079 HH2 TRP 40 HH2 TRP 40 -17.132 16.383 2.733 1080 H ARG 41 H ARG 41 -11.555 10.861 8.583 1081 HA ARG 41 HA ARG 41 -11.697 8.293 7.040 1082 HB2 ARG 41 HB2 ARG 41 -9.870 9.788 6.279 1083 HB3 ARG 41 HB3 ARG 41 -9.271 9.902 7.940 1084 HG2 ARG 41 HG2 ARG 41 -7.909 8.369 6.567 1085 HG3 ARG 41 HG3 ARG 41 -8.642 7.546 7.937 1086 HD2 ARG 41 HD2 ARG 41 -10.481 6.739 6.314 1087 HD3 ARG 41 HD3 ARG 41 -9.506 7.422 5.019 1088 HE ARG 41 HE ARG 41 -8.004 5.660 5.223 1089 HH11 ARG 41 HH11 ARG 41 -10.153 5.493 8.035 1090 HH12 ARG 41 HH12 ARG 41 -9.618 3.881 8.417 1091 HH21 ARG 41 HH21 ARG 41 -7.382 3.623 5.828 1092 HH22 ARG 41 HH22 ARG 41 -8.085 2.870 7.229 1093 H LYS 42 H LYS 42 -10.789 9.765 10.142 1094 HA LYS 42 HA LYS 42 -10.304 7.235 11.519 1095 HB2 LYS 42 HB2 LYS 42 -10.926 10.013 12.609 1096 HB3 LYS 42 HB3 LYS 42 -10.370 8.645 13.558 1097 HG2 LYS 42 HG2 LYS 42 -8.756 10.071 11.394 1098 HG3 LYS 42 HG3 LYS 42 -8.572 10.213 13.130 1099 HD2 LYS 42 HD2 LYS 42 -6.891 8.752 12.739 1100 HD3 LYS 42 HD3 LYS 42 -8.181 7.585 13.028 1101 HE2 LYS 42 HE2 LYS 42 -8.508 7.403 10.537 1102 HE3 LYS 42 HE3 LYS 42 -7.225 8.593 10.295 1103 HZ1 LYS 42 HZ1 LYS 42 -6.858 5.938 11.589 1104 HZ2 LYS 42 HZ2 LYS 42 -5.677 7.046 11.372 1105 HZ3 LYS 42 HZ3 LYS 42 -6.369 6.328 10.081 1106 H SER 43 H SER 43 -13.243 9.093 10.932 1107 HA SER 43 HA SER 43 -14.772 6.820 12.135 1108 HB2 SER 43 HB2 SER 43 -16.336 8.329 13.184 1109 HB3 SER 43 HB3 SER 43 -14.699 8.663 13.779 1110 HG SER 43 HG SER 43 -14.590 10.428 12.382 1111 H GLN 44 H GLN 44 -14.559 9.257 9.600 1112 HA GLN 44 HA GLN 44 -15.471 9.369 7.605 1113 HB2 GLN 44 HB2 GLN 44 -15.164 6.710 7.941 1114 HB3 GLN 44 HB3 GLN 44 -16.892 6.758 7.605 1115 HG2 GLN 44 HG2 GLN 44 -14.563 7.657 5.864 1116 HG3 GLN 44 HG3 GLN 44 -15.668 6.336 5.575 1117 HE21 GLN 44 HE21 GLN 44 -15.241 9.842 5.295 1118 HE22 GLN 44 HE22 GLN 44 -16.714 10.091 4.332 1119 H LYS 45 H LYS 45 -16.981 10.173 10.039 1120 HA LYS 45 HA LYS 45 -19.582 10.856 8.807 1121 HB2 LYS 45 HB2 LYS 45 -19.793 12.455 10.617 1122 HB3 LYS 45 HB3 LYS 45 -19.306 10.887 11.258 1123 HG2 LYS 45 HG2 LYS 45 -16.841 11.987 10.937 1124 HG3 LYS 45 HG3 LYS 45 -17.762 13.476 11.121 1125 HD2 LYS 45 HD2 LYS 45 -17.806 11.111 13.046 1126 HD3 LYS 45 HD3 LYS 45 -16.743 12.510 13.195 1127 HE2 LYS 45 HE2 LYS 45 -18.677 14.003 13.464 1128 HE3 LYS 45 HE3 LYS 45 -19.786 12.634 13.279 1129 HZ1 LYS 45 HZ1 LYS 45 -18.907 11.668 15.284 1130 HZ2 LYS 45 HZ2 LYS 45 -19.271 13.217 15.649 1131 HZ3 LYS 45 HZ3 LYS 45 -17.705 12.759 15.403 1132 H GLU 46 H GLU 46 -19.983 12.844 7.769 1133 HA GLU 46 HA GLU 46 -17.737 14.513 6.858 1134 HB2 GLU 46 HB2 GLU 46 -18.091 13.966 4.490 1135 HB3 GLU 46 HB3 GLU 46 -17.448 12.622 5.432 1136 HG2 GLU 46 HG2 GLU 46 -19.772 11.639 5.510 1137 HG3 GLU 46 HG3 GLU 46 -20.329 12.974 4.497 1138 H GLU 47 H GLU 47 -18.382 16.349 5.626 1139 HA GLU 47 HA GLU 47 -21.228 17.071 5.397 1140 HB2 GLU 47 HB2 GLU 47 -20.740 17.565 7.752 1141 HB3 GLU 47 HB3 GLU 47 -19.344 18.546 7.286 1142 HG2 GLU 47 HG2 GLU 47 -20.805 20.173 6.178 1143 HG3 GLU 47 HG3 GLU 47 -22.205 19.123 6.409 1144 H1 GLY 1 H1 GLY 1 5.067 49.044 25.076 1145 H2 GLY 1 H2 GLY 1 5.993 47.906 24.348 1146 H3 GLY 1 H3 GLY 1 6.417 48.489 25.821 1147 HA2 GLY 1 HA2 GLY 1 5.478 46.295 26.068 1148 HA3 GLY 1 HA3 GLY 1 4.461 47.526 26.838 1149 H SER 2 H SER 2 2.646 46.112 26.651 1150 HA SER 2 HA SER 2 1.168 46.377 24.130 1151 HB2 SER 2 HB2 SER 2 2.430 44.281 23.749 1152 HB3 SER 2 HB3 SER 2 1.830 43.639 25.285 1153 HG SER 2 HG SER 2 0.471 44.068 22.857 1154 H HIS 3 H HIS 3 -1.069 46.082 24.372 1155 HA HIS 3 HA HIS 3 -2.196 46.186 27.077 1156 HB2 HIS 3 HB2 HIS 3 -3.576 46.049 24.367 1157 HB3 HIS 3 HB3 HIS 3 -4.349 46.403 25.910 1158 HD1 HIS 3 HD1 HIS 3 -2.272 48.118 23.201 1159 HD2 HIS 3 HD2 HIS 3 -3.839 48.837 27.043 1160 HE1 HIS 3 HE1 HIS 3 -2.039 50.622 23.609 1161 H MET 4 H MET 4 -1.156 43.678 25.128 1162 HA MET 4 HA MET 4 -1.166 41.495 25.263 1163 HB2 MET 4 HB2 MET 4 -1.318 42.167 27.839 1164 HB3 MET 4 HB3 MET 4 -2.863 41.345 27.733 1165 HG2 MET 4 HG2 MET 4 -1.091 39.859 28.510 1166 HG3 MET 4 HG3 MET 4 -1.759 39.287 26.991 1167 HE1 MET 4 HE1 MET 4 1.225 41.285 28.661 1168 HE2 MET 4 HE2 MET 4 2.387 41.406 27.322 1169 HE3 MET 4 HE3 MET 4 0.870 42.324 27.259 1170 H GLU 5 H GLU 5 -2.274 39.515 24.946 1171 HA GLU 5 HA GLU 5 -5.050 39.813 23.855 1172 HB2 GLU 5 HB2 GLU 5 -2.812 38.002 22.905 1173 HB3 GLU 5 HB3 GLU 5 -4.472 38.044 22.278 1174 HG2 GLU 5 HG2 GLU 5 -4.131 40.474 21.707 1175 HG3 GLU 5 HG3 GLU 5 -2.425 40.295 22.134 1176 H TYR 6 H TYR 6 -4.112 36.605 23.860 1177 HA TYR 6 HA TYR 6 -5.943 35.822 25.966 1178 HB2 TYR 6 HB2 TYR 6 -3.903 34.323 24.291 1179 HB3 TYR 6 HB3 TYR 6 -4.830 33.555 25.562 1180 HD1 TYR 6 HD1 TYR 6 -5.283 32.010 23.588 1181 HD2 TYR 6 HD2 TYR 6 -6.955 35.982 23.855 1182 HE1 TYR 6 HE1 TYR 6 -7.135 31.306 22.167 1183 HE2 TYR 6 HE2 TYR 6 -8.769 35.302 22.328 1184 HH TYR 6 HH TYR 6 -9.662 33.637 21.075 1185 H ASP 7 H ASP 7 -5.503 34.778 27.879 1186 HA ASP 7 HA ASP 7 -2.881 35.322 29.201 1187 HB2 ASP 7 HB2 ASP 7 -4.080 36.300 31.049 1188 HB3 ASP 7 HB3 ASP 7 -4.516 37.124 29.556 1189 H GLY 8 H GLY 8 -4.353 32.809 28.223 1190 HA2 GLY 8 HA2 GLY 8 -3.863 30.587 29.261 1191 HA3 GLY 8 HA3 GLY 8 -4.507 31.231 30.773 1192 H GLN 9 H GLN 9 -6.734 32.697 29.351 1193 HA GLN 9 HA GLN 9 -8.682 30.584 29.143 1194 HB2 GLN 9 HB2 GLN 9 -9.152 32.900 29.924 1195 HB3 GLN 9 HB3 GLN 9 -8.828 33.510 28.302 1196 HG2 GLN 9 HG2 GLN 9 -11.251 33.322 28.792 1197 HG3 GLN 9 HG3 GLN 9 -10.779 32.346 27.411 1198 HE21 GLN 9 HE21 GLN 9 -11.946 30.393 27.430 1199 HE22 GLN 9 HE22 GLN 9 -12.201 29.457 28.885 1200 H LEU 10 H LEU 10 -9.861 29.916 27.321 1201 HA LEU 10 HA LEU 10 -8.806 30.556 24.630 1202 HB2 LEU 10 HB2 LEU 10 -7.971 28.353 25.463 1203 HB3 LEU 10 HB3 LEU 10 -9.633 27.778 25.577 1204 HG LEU 10 HG LEU 10 -8.248 26.942 23.757 1205 HD11 LEU 10 HD11 LEU 10 -10.352 28.412 22.282 1206 HD12 LEU 10 HD12 LEU 10 -10.826 27.319 23.602 1207 HD13 LEU 10 HD13 LEU 10 -9.854 26.698 22.263 1208 HD21 LEU 10 HD21 LEU 10 -7.086 29.204 23.482 1209 HD22 LEU 10 HD22 LEU 10 -8.474 29.666 22.467 1210 HD23 LEU 10 HD23 LEU 10 -7.428 28.317 21.999 1211 H ASP 11 H ASP 11 -10.332 30.774 22.992 1212 HA ASP 11 HA ASP 11 -12.953 31.551 23.776 1213 HB2 ASP 11 HB2 ASP 11 -11.398 32.043 21.628 1214 HB3 ASP 11 HB3 ASP 11 -12.348 30.753 20.948 1215 H SER 12 H SER 12 -14.924 30.487 23.778 1216 HA SER 12 HA SER 12 -15.011 27.685 24.078 1217 HB2 SER 12 HB2 SER 12 -16.621 29.080 25.055 1218 HB3 SER 12 HB3 SER 12 -17.215 29.643 23.470 1219 HG SER 12 HG SER 12 -18.540 28.001 24.422 1220 H GLU 13 H GLU 13 -15.379 29.607 21.145 1221 HA GLU 13 HA GLU 13 -16.384 27.627 19.371 1222 HB2 GLU 13 HB2 GLU 13 -14.655 30.108 19.029 1223 HB3 GLU 13 HB3 GLU 13 -15.150 29.142 17.651 1224 HG2 GLU 13 HG2 GLU 13 -17.091 30.402 19.642 1225 HG3 GLU 13 HG3 GLU 13 -16.588 31.148 18.135 1226 H TRP 14 H TRP 14 -13.041 28.103 20.517 1227 HA TRP 14 HA TRP 14 -12.138 26.047 18.574 1228 HB2 TRP 14 HB2 TRP 14 -10.131 27.370 20.257 1229 HB3 TRP 14 HB3 TRP 14 -10.068 26.830 18.594 1230 HD1 TRP 14 HD1 TRP 14 -9.917 29.850 20.456 1231 HE1 TRP 14 HE1 TRP 14 -10.792 31.919 19.202 1232 HE3 TRP 14 HE3 TRP 14 -12.150 27.528 16.471 1233 HZ2 TRP 14 HZ2 TRP 14 -12.280 32.497 16.796 1234 HZ3 TRP 14 HZ3 TRP 14 -13.262 28.861 14.693 1235 HH2 TRP 14 HH2 TRP 14 -13.351 31.339 14.852 1236 H GLU 15 H GLU 15 -12.520 26.612 22.006 1237 HA GLU 15 HA GLU 15 -11.425 24.281 23.181 1238 HB2 GLU 15 HB2 GLU 15 -12.305 25.970 24.610 1239 HB3 GLU 15 HB3 GLU 15 -13.834 26.047 23.738 1240 HG2 GLU 15 HG2 GLU 15 -14.536 23.894 24.601 1241 HG3 GLU 15 HG3 GLU 15 -12.995 23.692 25.452 1242 H LYS 16 H LYS 16 -14.611 24.823 21.711 1243 HA LYS 16 HA LYS 16 -15.497 22.106 22.121 1244 HB2 LYS 16 HB2 LYS 16 -17.445 22.632 20.879 1245 HB3 LYS 16 HB3 LYS 16 -17.023 23.963 21.943 1246 HG2 LYS 16 HG2 LYS 16 -17.511 25.200 20.175 1247 HG3 LYS 16 HG3 LYS 16 -15.827 24.891 19.757 1248 HD2 LYS 16 HD2 LYS 16 -16.434 23.282 18.068 1249 HD3 LYS 16 HD3 LYS 16 -18.047 23.072 18.758 1250 HE2 LYS 16 HE2 LYS 16 -18.450 24.358 16.834 1251 HE3 LYS 16 HE3 LYS 16 -18.572 25.465 18.196 1252 HZ1 LYS 16 HZ1 LYS 16 -16.543 25.389 16.096 1253 HZ2 LYS 16 HZ2 LYS 16 -16.042 25.875 17.581 1254 HZ3 LYS 16 HZ3 LYS 16 -17.243 26.681 16.842 1255 H LEU 17 H LEU 17 -13.672 23.500 19.495 1256 HA LEU 17 HA LEU 17 -13.965 21.268 17.644 1257 HB2 LEU 17 HB2 LEU 17 -11.905 23.485 17.890 1258 HB3 LEU 17 HB3 LEU 17 -11.942 22.361 16.555 1259 HG LEU 17 HG LEU 17 -14.338 24.103 17.244 1260 HD11 LEU 17 HD11 LEU 17 -13.591 25.749 15.805 1261 HD12 LEU 17 HD12 LEU 17 -12.389 24.694 15.030 1262 HD13 LEU 17 HD13 LEU 17 -12.109 25.323 16.675 1263 HD21 LEU 17 HD21 LEU 17 -13.516 22.504 14.811 1264 HD22 LEU 17 HD22 LEU 17 -14.862 23.674 14.832 1265 HD23 LEU 17 HD23 LEU 17 -14.930 22.222 15.847 1266 H VAL 18 H VAL 18 -11.333 22.218 19.971 1267 HA VAL 18 HA VAL 18 -9.840 19.785 19.407 1268 HB VAL 18 HB VAL 18 -8.750 21.732 20.320 1269 HG11 VAL 18 HG11 VAL 18 -8.932 22.227 22.773 1270 HG12 VAL 18 HG12 VAL 18 -10.367 22.661 21.803 1271 HG13 VAL 18 HG13 VAL 18 -10.393 21.221 22.810 1272 HG21 VAL 18 HG21 VAL 18 -7.782 19.458 20.733 1273 HG22 VAL 18 HG22 VAL 18 -7.343 20.684 21.942 1274 HG23 VAL 18 HG23 VAL 18 -8.546 19.445 22.329 1275 H ARG 19 H ARG 19 -12.288 20.514 21.915 1276 HA ARG 19 HA ARG 19 -12.162 17.924 23.132 1277 HB2 ARG 19 HB2 ARG 19 -13.151 20.135 23.991 1278 HB3 ARG 19 HB3 ARG 19 -14.592 19.762 23.031 1279 HG2 ARG 19 HG2 ARG 19 -14.970 17.734 24.360 1280 HG3 ARG 19 HG3 ARG 19 -13.363 17.906 25.107 1281 HD2 ARG 19 HD2 ARG 19 -15.130 18.572 26.640 1282 HD3 ARG 19 HD3 ARG 19 -13.957 19.841 26.301 1283 HE ARG 19 HE ARG 19 -16.492 19.850 24.738 1284 HH11 ARG 19 HH11 ARG 19 -14.841 21.315 27.486 1285 HH12 ARG 19 HH12 ARG 19 -15.475 22.913 27.082 1286 HH21 ARG 19 HH21 ARG 19 -17.450 21.892 24.522 1287 HH22 ARG 19 HH22 ARG 19 -16.968 23.161 25.622 1288 H ASP 20 H ASP 20 -14.141 19.107 20.421 1289 HA ASP 20 HA ASP 20 -15.484 16.700 19.753 1290 HB2 ASP 20 HB2 ASP 20 -14.624 19.190 18.378 1291 HB3 ASP 20 HB3 ASP 20 -14.743 17.809 17.315 1292 H ALA 21 H ALA 21 -12.106 17.723 18.913 1293 HA ALA 21 HA ALA 21 -11.601 15.398 17.313 1294 HB1 ALA 21 HB1 ALA 21 -9.621 17.075 18.902 1295 HB2 ALA 21 HB2 ALA 21 -9.259 16.029 17.533 1296 HB3 ALA 21 HB3 ALA 21 -10.271 17.466 17.283 1297 H MET 22 H MET 22 -10.996 16.043 20.787 1298 HA MET 22 HA MET 22 -9.891 13.506 21.404 1299 HB2 MET 22 HB2 MET 22 -11.325 15.612 23.026 1300 HB3 MET 22 HB3 MET 22 -10.899 14.059 23.770 1301 HG2 MET 22 HG2 MET 22 -8.794 15.734 22.428 1302 HG3 MET 22 HG3 MET 22 -9.251 15.908 24.103 1303 HE1 MET 22 HE1 MET 22 -6.241 13.162 22.593 1304 HE2 MET 22 HE2 MET 22 -7.624 13.508 21.497 1305 HE3 MET 22 HE3 MET 22 -6.705 14.842 22.251 1306 H THR 23 H THR 23 -13.362 14.491 21.213 1307 HA THR 23 HA THR 23 -14.276 11.852 22.084 1308 HB THR 23 HB THR 23 -16.533 12.667 21.536 1309 HG1 THR 23 HG1 THR 23 -16.200 14.075 19.894 1310 HG21 THR 23 HG21 THR 23 -16.607 14.523 23.212 1311 HG22 THR 23 HG22 THR 23 -14.831 14.492 23.275 1312 HG23 THR 23 HG23 THR 23 -15.773 13.062 23.756 1313 H SER 24 H SER 24 -13.917 13.411 18.880 1314 HA SER 24 HA SER 24 -15.390 11.248 17.609 1315 HB2 SER 24 HB2 SER 24 -15.405 13.792 17.065 1316 HB3 SER 24 HB3 SER 24 -13.989 13.437 16.055 1317 HG SER 24 HG SER 24 -15.293 11.795 15.062 1318 H GLY 25 H GLY 25 -12.423 11.078 18.774 1319 HA2 GLY 25 HA2 GLY 25 -10.836 9.421 18.504 1320 HA3 GLY 25 HA3 GLY 25 -11.743 8.794 17.126 1321 H VAL 26 H VAL 26 -10.680 12.119 17.101 1322 HA VAL 26 HA VAL 26 -9.225 11.813 14.618 1323 HB VAL 26 HB VAL 26 -9.744 14.071 16.532 1324 HG11 VAL 26 HG11 VAL 26 -8.924 15.632 14.729 1325 HG12 VAL 26 HG12 VAL 26 -7.711 14.859 15.770 1326 HG13 VAL 26 HG13 VAL 26 -7.976 14.254 14.137 1327 HG21 VAL 26 HG21 VAL 26 -11.619 13.295 15.153 1328 HG22 VAL 26 HG22 VAL 26 -11.102 14.889 14.605 1329 HG23 VAL 26 HG23 VAL 26 -10.634 13.449 13.689 1330 H SER 27 H SER 27 -7.047 12.069 14.167 1331 HA SER 27 HA SER 27 -5.246 10.745 15.856 1332 HB2 SER 27 HB2 SER 27 -4.611 12.638 13.583 1333 HB3 SER 27 HB3 SER 27 -3.492 11.471 14.306 1334 HG SER 27 HG SER 27 -5.459 11.131 12.448 1335 H LYS 28 H LYS 28 -4.660 11.459 17.835 1336 HA LYS 28 HA LYS 28 -4.607 14.173 18.601 1337 HB2 LYS 28 HB2 LYS 28 -3.721 13.431 20.718 1338 HB3 LYS 28 HB3 LYS 28 -4.980 12.338 20.155 1339 HG2 LYS 28 HG2 LYS 28 -3.203 10.729 19.389 1340 HG3 LYS 28 HG3 LYS 28 -1.972 11.823 20.051 1341 HD2 LYS 28 HD2 LYS 28 -2.958 11.568 22.318 1342 HD3 LYS 28 HD3 LYS 28 -4.241 10.557 21.650 1343 HE2 LYS 28 HE2 LYS 28 -2.680 9.079 22.653 1344 HE3 LYS 28 HE3 LYS 28 -2.524 8.892 20.906 1345 HZ1 LYS 28 HZ1 LYS 28 -0.525 10.304 21.012 1346 HZ2 LYS 28 HZ2 LYS 28 -0.358 9.024 22.006 1347 HZ3 LYS 28 HZ3 LYS 28 -0.697 10.490 22.630 1348 H LYS 29 H LYS 29 -1.934 12.266 17.212 1349 HA LYS 29 HA LYS 29 0.106 14.251 17.724 1350 HB2 LYS 29 HB2 LYS 29 1.380 13.039 16.065 1351 HB3 LYS 29 HB3 LYS 29 0.616 11.935 17.209 1352 HG2 LYS 29 HG2 LYS 29 -1.253 12.037 15.147 1353 HG3 LYS 29 HG3 LYS 29 0.253 12.282 14.271 1354 HD2 LYS 29 HD2 LYS 29 -0.416 10.015 16.199 1355 HD3 LYS 29 HD3 LYS 29 -0.465 9.890 14.430 1356 HE2 LYS 29 HE2 LYS 29 1.975 10.386 14.312 1357 HE3 LYS 29 HE3 LYS 29 2.045 10.484 16.075 1358 HZ1 LYS 29 HZ1 LYS 29 1.357 8.143 16.169 1359 HZ2 LYS 29 HZ2 LYS 29 2.724 8.291 15.293 1360 HZ3 LYS 29 HZ3 LYS 29 1.299 8.050 14.538 1361 H GLN 30 H GLN 30 -2.263 13.845 15.090 1362 HA GLN 30 HA GLN 30 -1.063 15.763 13.333 1363 HB2 GLN 30 HB2 GLN 30 -3.950 14.820 13.536 1364 HB3 GLN 30 HB3 GLN 30 -3.330 15.895 12.299 1365 HG2 GLN 30 HG2 GLN 30 -2.389 13.048 12.736 1366 HG3 GLN 30 HG3 GLN 30 -3.504 13.612 11.480 1367 HE21 GLN 30 HE21 GLN 30 -0.885 12.239 11.122 1368 HE22 GLN 30 HE22 GLN 30 0.069 13.379 10.182 1369 H PHE 31 H PHE 31 -3.205 16.178 16.089 1370 HA PHE 31 HA PHE 31 -3.915 18.921 15.735 1371 HB2 PHE 31 HB2 PHE 31 -4.006 16.946 17.834 1372 HB3 PHE 31 HB3 PHE 31 -3.281 18.384 18.504 1373 HD1 PHE 31 HD1 PHE 31 -4.622 20.400 18.867 1374 HD2 PHE 31 HD2 PHE 31 -6.207 17.038 16.686 1375 HE1 PHE 31 HE1 PHE 31 -6.836 21.489 18.789 1376 HE2 PHE 31 HE2 PHE 31 -8.365 18.192 16.476 1377 HZ PHE 31 HZ PHE 31 -8.721 20.434 17.501 1378 H ARG 32 H ARG 32 -1.007 17.626 17.366 1379 HA ARG 32 HA ARG 32 0.302 20.183 17.561 1380 HB2 ARG 32 HB2 ARG 32 0.882 18.361 19.066 1381 HB3 ARG 32 HB3 ARG 32 1.291 17.312 17.714 1382 HG2 ARG 32 HG2 ARG 32 3.325 18.121 18.768 1383 HG3 ARG 32 HG3 ARG 32 3.212 18.726 17.136 1384 HD2 ARG 32 HD2 ARG 32 2.167 20.885 18.260 1385 HD3 ARG 32 HD3 ARG 32 2.890 20.285 19.735 1386 HE ARG 32 HE ARG 32 4.205 21.306 17.277 1387 HH11 ARG 32 HH11 ARG 32 4.932 19.981 20.478 1388 HH12 ARG 32 HH12 ARG 32 6.634 20.332 20.234 1389 HH21 ARG 32 HH21 ARG 32 6.285 21.368 17.011 1390 HH22 ARG 32 HH22 ARG 32 7.361 21.214 18.429 1391 H GLU 33 H GLU 33 0.727 17.520 15.232 1392 HA GLU 33 HA GLU 33 2.752 18.861 13.745 1393 HB2 GLU 33 HB2 GLU 33 0.762 16.851 12.638 1394 HB3 GLU 33 HB3 GLU 33 2.313 17.314 11.945 1395 HG2 GLU 33 HG2 GLU 33 1.823 15.596 14.349 1396 HG3 GLU 33 HG3 GLU 33 2.688 15.213 12.879 1397 H PHE 34 H PHE 34 -0.818 19.052 13.269 1398 HA PHE 34 HA PHE 34 -0.585 20.733 10.950 1399 HB2 PHE 34 HB2 PHE 34 -2.581 19.276 11.715 1400 HB3 PHE 34 HB3 PHE 34 -3.029 20.647 12.726 1401 HD1 PHE 34 HD1 PHE 34 -3.083 19.139 9.469 1402 HD2 PHE 34 HD2 PHE 34 -3.341 22.969 11.452 1403 HE1 PHE 34 HE1 PHE 34 -4.068 20.130 7.420 1404 HE2 PHE 34 HE2 PHE 34 -4.267 23.955 9.382 1405 HZ PHE 34 HZ PHE 34 -4.649 22.546 7.366 1406 H LEU 35 H LEU 35 -0.906 21.401 14.473 1407 HA LEU 35 HA LEU 35 -0.963 24.235 14.327 1408 HB2 LEU 35 HB2 LEU 35 -0.446 22.201 16.296 1409 HB3 LEU 35 HB3 LEU 35 0.857 23.359 16.430 1410 HG LEU 35 HG LEU 35 -0.903 23.940 17.973 1411 HD11 LEU 35 HD11 LEU 35 -1.177 26.190 17.490 1412 HD12 LEU 35 HD12 LEU 35 -1.204 25.942 15.729 1413 HD13 LEU 35 HD13 LEU 35 0.307 25.765 16.647 1414 HD21 LEU 35 HD21 LEU 35 -2.698 22.737 16.830 1415 HD22 LEU 35 HD22 LEU 35 -2.778 24.020 15.611 1416 HD23 LEU 35 HD23 LEU 35 -3.157 24.363 17.322 1417 H ASP 36 H ASP 36 1.940 22.085 14.422 1418 HA ASP 36 HA ASP 36 3.838 24.139 13.917 1419 HB2 ASP 36 HB2 ASP 36 3.953 21.182 13.261 1420 HB3 ASP 36 HB3 ASP 36 5.289 22.298 13.008 1421 H TYR 37 H TYR 37 2.010 22.125 11.555 1422 HA TYR 37 HA TYR 37 3.216 23.033 9.205 1423 HB2 TYR 37 HB2 TYR 37 1.647 21.154 9.287 1424 HB3 TYR 37 HB3 TYR 37 0.341 22.233 9.737 1425 HD1 TYR 37 HD1 TYR 37 -1.230 21.904 8.019 1426 HD2 TYR 37 HD2 TYR 37 2.874 22.793 7.031 1427 HE1 TYR 37 HE1 TYR 37 -1.867 22.232 5.628 1428 HE2 TYR 37 HE2 TYR 37 2.243 23.075 4.668 1429 HH TYR 37 HH TYR 37 -1.123 23.072 3.555 1430 H GLN 38 H GLN 38 0.303 24.498 10.806 1431 HA GLN 38 HA GLN 38 0.269 26.707 8.891 1432 HB2 GLN 38 HB2 GLN 38 -1.093 26.321 11.576 1433 HB3 GLN 38 HB3 GLN 38 -1.317 27.752 10.575 1434 HG2 GLN 38 HG2 GLN 38 -2.098 24.895 9.931 1435 HG3 GLN 38 HG3 GLN 38 -3.178 26.283 10.140 1436 HE21 GLN 38 HE21 GLN 38 -2.480 24.293 7.783 1437 HE22 GLN 38 HE22 GLN 38 -2.350 25.417 6.444 1438 H LYS 39 H LYS 39 1.585 26.372 12.229 1439 HA LYS 39 HA LYS 39 2.535 29.028 12.587 1440 HB2 LYS 39 HB2 LYS 39 3.466 26.293 13.482 1441 HB3 LYS 39 HB3 LYS 39 4.458 27.691 13.811 1442 HG2 LYS 39 HG2 LYS 39 2.920 28.705 15.198 1443 HG3 LYS 39 HG3 LYS 39 1.535 27.700 14.730 1444 HD2 LYS 39 HD2 LYS 39 2.498 25.784 15.851 1445 HD3 LYS 39 HD3 LYS 39 4.078 26.572 16.004 1446 HE2 LYS 39 HE2 LYS 39 3.067 28.258 17.545 1447 HE3 LYS 39 HE3 LYS 39 1.535 27.386 17.476 1448 HZ1 LYS 39 HZ1 LYS 39 2.803 25.402 18.322 1449 HZ2 LYS 39 HZ2 LYS 39 2.822 26.622 19.408 1450 HZ3 LYS 39 HZ3 LYS 39 4.142 26.328 18.468 1451 H TRP 40 H TRP 40 4.073 26.358 10.831 1452 HA TRP 40 HA TRP 40 6.531 27.271 10.142 1453 HB2 TRP 40 HB2 TRP 40 5.003 25.119 9.432 1454 HB3 TRP 40 HB3 TRP 40 4.977 25.965 7.920 1455 HD1 TRP 40 HD1 TRP 40 7.414 26.255 6.707 1456 HE1 TRP 40 HE1 TRP 40 9.572 24.856 6.877 1457 HE3 TRP 40 HE3 TRP 40 6.258 23.406 10.825 1458 HZ2 TRP 40 HZ2 TRP 40 10.665 22.813 8.584 1459 HZ3 TRP 40 HZ3 TRP 40 7.867 21.749 11.687 1460 HH2 TRP 40 HH2 TRP 40 10.077 21.438 10.586 1461 H ARG 41 H ARG 41 3.551 28.497 8.770 1462 HA ARG 41 HA ARG 41 5.058 30.233 6.864 1463 HB2 ARG 41 HB2 ARG 41 3.773 28.266 5.865 1464 HB3 ARG 41 HB3 ARG 41 2.295 28.992 6.485 1465 HG2 ARG 41 HG2 ARG 41 2.601 29.491 4.109 1466 HG3 ARG 41 HG3 ARG 41 2.635 30.973 5.063 1467 HD2 ARG 41 HD2 ARG 41 4.353 30.998 3.299 1468 HD3 ARG 41 HD3 ARG 41 5.078 31.070 4.905 1469 HE ARG 41 HE ARG 41 4.822 28.402 3.572 1470 HH11 ARG 41 HH11 ARG 41 6.419 27.190 3.322 1471 HH12 ARG 41 HH12 ARG 41 8.086 27.696 3.631 1472 HH21 ARG 41 HH21 ARG 41 7.110 30.911 4.499 1473 HH22 ARG 41 HH22 ARG 41 8.452 29.815 4.316 1474 H LYS 42 H LYS 42 2.185 29.984 8.963 1475 HA LYS 42 HA LYS 42 1.342 32.748 8.588 1476 HB2 LYS 42 HB2 LYS 42 0.630 30.777 10.793 1477 HB3 LYS 42 HB3 LYS 42 -0.195 32.284 10.440 1478 HG2 LYS 42 HG2 LYS 42 -0.138 29.818 8.642 1479 HG3 LYS 42 HG3 LYS 42 -1.464 30.395 9.630 1480 HD2 LYS 42 HD2 LYS 42 -2.143 31.157 7.605 1481 HD3 LYS 42 HD3 LYS 42 -1.270 32.587 8.165 1482 HE2 LYS 42 HE2 LYS 42 0.732 31.800 6.835 1483 HE3 LYS 42 HE3 LYS 42 -0.202 30.402 6.291 1484 HZ1 LYS 42 HZ1 LYS 42 -1.768 31.948 5.237 1485 HZ2 LYS 42 HZ2 LYS 42 -0.265 32.201 4.654 1486 HZ3 LYS 42 HZ3 LYS 42 -0.904 33.241 5.737 1487 H SER 43 H SER 43 3.598 31.219 10.866 1488 HA SER 43 HA SER 43 4.359 33.992 11.713 1489 HB2 SER 43 HB2 SER 43 4.797 33.190 13.966 1490 HB3 SER 43 HB3 SER 43 3.102 32.924 13.523 1491 HG SER 43 HG SER 43 3.833 31.054 14.440 1492 H GLN 44 H GLN 44 5.412 30.820 10.685 1493 HA GLN 44 HA GLN 44 7.285 30.032 9.941 1494 HB2 GLN 44 HB2 GLN 44 7.353 32.501 8.904 1495 HB3 GLN 44 HB3 GLN 44 8.855 32.560 9.820 1496 HG2 GLN 44 HG2 GLN 44 8.052 30.687 7.558 1497 HG3 GLN 44 HG3 GLN 44 9.332 31.881 7.558 1498 HE21 GLN 44 HE21 GLN 44 8.447 28.596 8.554 1499 HE22 GLN 44 HE22 GLN 44 10.042 28.177 9.222 1500 H LYS 45 H LYS 45 6.775 30.240 12.796 1501 HA LYS 45 HA LYS 45 9.505 29.344 13.623 1502 HB2 LYS 45 HB2 LYS 45 8.644 29.087 15.840 1503 HB3 LYS 45 HB3 LYS 45 8.256 30.698 15.245 1504 HG2 LYS 45 HG2 LYS 45 5.960 29.351 14.541 1505 HG3 LYS 45 HG3 LYS 45 6.434 28.418 15.952 1506 HD2 LYS 45 HD2 LYS 45 5.977 31.409 15.733 1507 HD3 LYS 45 HD3 LYS 45 4.896 30.266 16.524 1508 HE2 LYS 45 HE2 LYS 45 7.723 30.969 17.456 1509 HE3 LYS 45 HE3 LYS 45 6.235 31.648 18.115 1510 HZ1 LYS 45 HZ1 LYS 45 5.600 29.372 18.794 1511 HZ2 LYS 45 HZ2 LYS 45 7.004 29.831 19.489 1512 HZ3 LYS 45 HZ3 LYS 45 7.027 28.777 18.251 1513 H GLU 46 H GLU 46 9.942 27.204 13.945 1514 HA GLU 46 HA GLU 46 8.197 25.230 12.625 1515 HB2 GLU 46 HB2 GLU 46 10.951 25.036 13.915 1516 HB3 GLU 46 HB3 GLU 46 10.090 23.681 13.193 1517 HG2 GLU 46 HG2 GLU 46 11.584 24.442 11.528 1518 HG3 GLU 46 HG3 GLU 46 9.956 24.896 11.032 1519 H GLU 47 H GLU 47 8.573 26.377 15.814 1520 HA GLU 47 HA GLU 47 6.624 24.488 16.918 1521 HB2 GLU 47 HB2 GLU 47 8.640 23.267 17.403 1522 HB3 GLU 47 HB3 GLU 47 9.466 24.712 17.994 1523 HG2 GLU 47 HG2 GLU 47 8.092 24.819 19.966 1524 HG3 GLU 47 HG3 GLU 47 6.963 23.623 19.330 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 12.325 -10.024 -2.177 2 H2 GLY 1 H2 GLY 1 13.709 -9.383 -2.782 3 H3 GLY 1 H3 GLY 1 12.278 -8.618 -3.020 4 HA2 GLY 1 HA2 GLY 1 12.042 -8.151 -0.685 5 HA3 GLY 1 HA3 GLY 1 13.563 -9.015 -0.397 6 H SER 2 H SER 2 13.352 -6.502 0.532 7 HA SER 2 HA SER 2 14.307 -4.459 0.620 8 HB2 SER 2 HB2 SER 2 16.461 -5.712 -1.102 9 HB3 SER 2 HB3 SER 2 16.641 -4.307 -0.040 10 HG SER 2 HG SER 2 16.287 -5.611 1.744 11 H HIS 3 H HIS 3 12.348 -4.610 -1.469 12 HA HIS 3 HA HIS 3 13.239 -3.175 -3.806 13 HB2 HIS 3 HB2 HIS 3 10.430 -3.513 -2.692 14 HB3 HIS 3 HB3 HIS 3 10.851 -2.992 -4.322 15 HD1 HIS 3 HD1 HIS 3 12.331 -4.993 -5.763 16 HD2 HIS 3 HD2 HIS 3 10.135 -6.097 -2.346 17 HE1 HIS 3 HE1 HIS 3 12.108 -7.528 -5.850 18 H MET 4 H MET 4 12.987 -1.040 -4.399 19 HA MET 4 HA MET 4 13.093 0.937 -2.242 20 HB2 MET 4 HB2 MET 4 13.290 1.258 -5.263 21 HB3 MET 4 HB3 MET 4 13.608 2.524 -4.072 22 HG2 MET 4 HG2 MET 4 15.163 -0.080 -4.329 23 HG3 MET 4 HG3 MET 4 15.673 1.489 -4.937 24 HE1 MET 4 HE1 MET 4 17.310 -0.556 -2.993 25 HE2 MET 4 HE2 MET 4 17.997 0.928 -3.694 26 HE3 MET 4 HE3 MET 4 18.124 0.629 -1.947 27 H GLU 5 H GLU 5 11.834 2.849 -2.120 28 HA GLU 5 HA GLU 5 8.984 2.559 -2.690 29 HB2 GLU 5 HB2 GLU 5 10.640 4.882 -1.609 30 HB3 GLU 5 HB3 GLU 5 8.884 4.865 -1.673 31 HG2 GLU 5 HG2 GLU 5 10.635 2.984 -0.036 32 HG3 GLU 5 HG3 GLU 5 9.707 4.349 0.574 33 H TYR 6 H TYR 6 11.546 3.622 -4.596 34 HA TYR 6 HA TYR 6 9.870 4.920 -6.625 35 HB2 TYR 6 HB2 TYR 6 10.438 6.644 -4.759 36 HB3 TYR 6 HB3 TYR 6 12.098 6.529 -5.309 37 HD1 TYR 6 HD1 TYR 6 8.607 7.261 -6.373 38 HD2 TYR 6 HD2 TYR 6 12.795 7.871 -7.202 39 HE1 TYR 6 HE1 TYR 6 8.014 9.095 -7.934 40 HE2 TYR 6 HE2 TYR 6 12.196 9.567 -8.924 41 HH TYR 6 HH TYR 6 10.524 10.505 -10.111 42 H ASP 7 H ASP 7 10.739 4.757 -8.595 43 HA ASP 7 HA ASP 7 13.409 3.437 -8.871 44 HB2 ASP 7 HB2 ASP 7 10.900 3.154 -10.545 45 HB3 ASP 7 HB3 ASP 7 12.428 2.317 -10.835 46 H GLY 8 H GLY 8 12.886 6.392 -8.954 47 HA2 GLY 8 HA2 GLY 8 13.707 8.206 -10.167 48 HA3 GLY 8 HA3 GLY 8 14.339 7.105 -11.393 49 H GLN 9 H GLN 9 10.979 6.969 -10.430 50 HA GLN 9 HA GLN 9 9.932 8.273 -12.877 51 HB2 GLN 9 HB2 GLN 9 10.640 5.998 -13.549 52 HB3 GLN 9 HB3 GLN 9 9.761 5.310 -12.186 53 HG2 GLN 9 HG2 GLN 9 7.916 6.917 -13.793 54 HG3 GLN 9 HG3 GLN 9 8.818 5.852 -14.849 55 HE21 GLN 9 HE21 GLN 9 6.026 5.986 -12.940 56 HE22 GLN 9 HE22 GLN 9 5.824 4.248 -12.747 57 H LEU 10 H LEU 10 8.008 9.279 -12.338 58 HA LEU 10 HA LEU 10 6.836 8.771 -9.755 59 HB2 LEU 10 HB2 LEU 10 6.901 11.000 -11.037 60 HB3 LEU 10 HB3 LEU 10 5.501 10.413 -11.936 61 HG LEU 10 HG LEU 10 5.078 11.998 -10.100 62 HD11 LEU 10 HD11 LEU 10 3.142 11.115 -9.314 63 HD12 LEU 10 HD12 LEU 10 3.770 9.450 -9.248 64 HD13 LEU 10 HD13 LEU 10 3.400 10.206 -10.809 65 HD21 LEU 10 HD21 LEU 10 5.563 9.945 -7.985 66 HD22 LEU 10 HD22 LEU 10 5.809 11.714 -7.974 67 HD23 LEU 10 HD23 LEU 10 6.977 10.710 -8.725 68 H ASP 11 H ASP 11 5.370 7.458 -9.147 69 HA ASP 11 HA ASP 11 4.348 5.391 -10.805 70 HB2 ASP 11 HB2 ASP 11 4.795 5.689 -8.167 71 HB3 ASP 11 HB3 ASP 11 3.116 6.156 -8.178 72 H SER 12 H SER 12 2.364 5.137 -11.826 73 HA SER 12 HA SER 12 0.934 7.440 -12.654 74 HB2 SER 12 HB2 SER 12 0.982 5.499 -13.975 75 HB3 SER 12 HB3 SER 12 0.151 4.532 -12.729 76 HG SER 12 HG SER 12 -1.255 5.245 -14.417 77 H GLU 13 H GLU 13 0.432 5.363 -9.883 78 HA GLU 13 HA GLU 13 -2.172 6.221 -9.079 79 HB2 GLU 13 HB2 GLU 13 0.213 4.957 -7.702 80 HB3 GLU 13 HB3 GLU 13 -1.221 5.381 -6.798 81 HG2 GLU 13 HG2 GLU 13 -1.295 3.584 -9.268 82 HG3 GLU 13 HG3 GLU 13 -1.022 2.975 -7.646 83 H TRP 14 H TRP 14 0.895 7.842 -8.715 84 HA TRP 14 HA TRP 14 -0.411 9.834 -6.922 85 HB2 TRP 14 HB2 TRP 14 2.477 10.088 -7.495 86 HB3 TRP 14 HB3 TRP 14 1.552 10.454 -6.044 87 HD1 TRP 14 HD1 TRP 14 4.144 8.303 -7.042 88 HE1 TRP 14 HE1 TRP 14 4.206 6.023 -5.833 89 HE3 TRP 14 HE3 TRP 14 -0.423 8.445 -4.762 90 HZ2 TRP 14 HZ2 TRP 14 2.488 4.463 -4.132 91 HZ3 TRP 14 HZ3 TRP 14 -1.188 6.569 -3.322 92 HH2 TRP 14 HH2 TRP 14 0.248 4.563 -3.017 93 H GLU 15 H GLU 15 1.081 9.520 -10.088 94 HA GLU 15 HA GLU 15 0.995 12.185 -11.049 95 HB2 GLU 15 HB2 GLU 15 1.965 10.578 -12.482 96 HB3 GLU 15 HB3 GLU 15 0.638 9.435 -12.276 97 HG2 GLU 15 HG2 GLU 15 -0.855 10.831 -13.593 98 HG3 GLU 15 HG3 GLU 15 0.433 12.026 -13.841 99 H LYS 16 H LYS 16 -1.508 9.720 -10.908 100 HA LYS 16 HA LYS 16 -3.647 11.266 -12.073 101 HB2 LYS 16 HB2 LYS 16 -5.150 9.544 -11.284 102 HB3 LYS 16 HB3 LYS 16 -3.704 8.864 -12.018 103 HG2 LYS 16 HG2 LYS 16 -3.685 7.511 -10.233 104 HG3 LYS 16 HG3 LYS 16 -2.896 8.859 -9.451 105 HD2 LYS 16 HD2 LYS 16 -4.509 8.330 -7.870 106 HD3 LYS 16 HD3 LYS 16 -5.268 9.651 -8.780 107 HE2 LYS 16 HE2 LYS 16 -6.989 8.181 -8.835 108 HE3 LYS 16 HE3 LYS 16 -6.113 7.651 -10.287 109 HZ1 LYS 16 HZ1 LYS 16 -6.671 5.730 -8.935 110 HZ2 LYS 16 HZ2 LYS 16 -6.004 6.378 -7.599 111 HZ3 LYS 16 HZ3 LYS 16 -5.050 5.897 -8.818 112 H LEU 17 H LEU 17 -2.592 11.002 -8.718 113 HA LEU 17 HA LEU 17 -4.810 12.438 -7.543 114 HB2 LEU 17 HB2 LEU 17 -1.942 12.067 -6.591 115 HB3 LEU 17 HB3 LEU 17 -3.223 12.712 -5.598 116 HG LEU 17 HG LEU 17 -3.373 9.932 -6.813 117 HD11 LEU 17 HD11 LEU 17 -1.388 10.368 -5.202 118 HD12 LEU 17 HD12 LEU 17 -2.540 9.079 -4.754 119 HD13 LEU 17 HD13 LEU 17 -2.626 10.659 -3.960 120 HD21 LEU 17 HD21 LEU 17 -5.533 10.784 -6.093 121 HD22 LEU 17 HD22 LEU 17 -4.811 11.281 -4.533 122 HD23 LEU 17 HD23 LEU 17 -4.947 9.555 -4.958 123 H VAL 18 H VAL 18 -1.501 13.474 -8.549 124 HA VAL 18 HA VAL 18 -2.017 16.223 -7.807 125 HB VAL 18 HB VAL 18 0.217 15.285 -7.875 126 HG11 VAL 18 HG11 VAL 18 0.168 13.879 -9.798 127 HG12 VAL 18 HG12 VAL 18 -0.191 15.208 -10.885 128 HG13 VAL 18 HG13 VAL 18 1.398 15.139 -10.093 129 HG21 VAL 18 HG21 VAL 18 1.367 17.152 -8.821 130 HG22 VAL 18 HG22 VAL 18 -0.012 17.581 -9.839 131 HG23 VAL 18 HG23 VAL 18 -0.133 17.744 -8.075 132 H ARG 19 H ARG 19 -2.168 14.650 -11.077 133 HA ARG 19 HA ARG 19 -3.109 16.901 -12.522 134 HB2 ARG 19 HB2 ARG 19 -3.531 13.889 -12.759 135 HB3 ARG 19 HB3 ARG 19 -4.313 15.031 -13.881 136 HG2 ARG 19 HG2 ARG 19 -2.067 15.955 -14.386 137 HG3 ARG 19 HG3 ARG 19 -1.325 14.611 -13.502 138 HD2 ARG 19 HD2 ARG 19 -3.142 14.470 -15.956 139 HD3 ARG 19 HD3 ARG 19 -1.386 14.461 -15.970 140 HE ARG 19 HE ARG 19 -1.290 12.265 -15.337 141 HH11 ARG 19 HH11 ARG 19 -4.689 13.138 -15.103 142 HH12 ARG 19 HH12 ARG 19 -5.183 11.477 -15.250 143 HH21 ARG 19 HH21 ARG 19 -1.974 10.256 -15.585 144 HH22 ARG 19 HH22 ARG 19 -3.681 9.869 -15.470 145 H ASP 20 H ASP 20 -5.033 14.514 -10.665 146 HA ASP 20 HA ASP 20 -7.599 15.659 -11.087 147 HB2 ASP 20 HB2 ASP 20 -6.257 13.919 -9.055 148 HB3 ASP 20 HB3 ASP 20 -7.719 14.731 -8.525 149 H ALA 21 H ALA 21 -5.166 16.445 -8.513 150 HA ALA 21 HA ALA 21 -6.815 18.379 -7.203 151 HB1 ALA 21 HB1 ALA 21 -4.767 17.381 -6.242 152 HB2 ALA 21 HB2 ALA 21 -3.778 18.267 -7.435 153 HB3 ALA 21 HB3 ALA 21 -4.705 19.157 -6.221 154 H MET 22 H MET 22 -4.494 18.711 -9.921 155 HA MET 22 HA MET 22 -4.765 21.511 -10.182 156 HB2 MET 22 HB2 MET 22 -4.107 19.526 -12.367 157 HB3 MET 22 HB3 MET 22 -3.915 21.275 -12.426 158 HG2 MET 22 HG2 MET 22 -2.115 19.272 -11.285 159 HG3 MET 22 HG3 MET 22 -1.813 20.832 -11.885 160 HE1 MET 22 HE1 MET 22 -2.025 22.878 -10.901 161 HE2 MET 22 HE2 MET 22 -3.337 23.005 -9.713 162 HE3 MET 22 HE3 MET 22 -1.644 23.227 -9.200 163 H THR 23 H THR 23 -6.528 18.944 -12.065 164 HA THR 23 HA THR 23 -8.162 20.866 -13.452 165 HB THR 23 HB THR 23 -9.469 18.946 -14.216 166 HG1 THR 23 HG1 THR 23 -8.910 16.886 -13.539 167 HG21 THR 23 HG21 THR 23 -7.346 19.489 -15.357 168 HG22 THR 23 HG22 THR 23 -7.709 17.755 -15.413 169 HG23 THR 23 HG23 THR 23 -6.477 18.370 -14.288 170 H SER 24 H SER 24 -8.718 19.055 -10.436 171 HA SER 24 HA SER 24 -11.498 19.943 -10.321 172 HB2 SER 24 HB2 SER 24 -10.547 17.675 -9.540 173 HB3 SER 24 HB3 SER 24 -10.106 18.542 -8.066 174 HG SER 24 HG SER 24 -12.326 19.229 -7.964 175 H GLY 25 H GLY 25 -8.861 21.753 -9.821 176 HA2 GLY 25 HA2 GLY 25 -8.760 23.918 -9.061 177 HA3 GLY 25 HA3 GLY 25 -10.440 23.786 -8.540 178 H VAL 26 H VAL 26 -7.927 21.672 -7.259 179 HA VAL 26 HA VAL 26 -8.430 22.416 -4.479 180 HB VAL 26 HB VAL 26 -6.557 20.559 -5.927 181 HG11 VAL 26 HG11 VAL 26 -5.986 19.537 -3.718 182 HG12 VAL 26 HG12 VAL 26 -5.110 21.004 -4.194 183 HG13 VAL 26 HG13 VAL 26 -6.400 21.107 -2.997 184 HG21 VAL 26 HG21 VAL 26 -8.882 19.886 -5.772 185 HG22 VAL 26 HG22 VAL 26 -7.945 18.889 -4.655 186 HG23 VAL 26 HG23 VAL 26 -8.902 20.235 -4.036 187 H SER 27 H SER 27 -7.046 23.380 -2.999 188 HA SER 27 HA SER 27 -5.721 25.707 -3.811 189 HB2 SER 27 HB2 SER 27 -5.537 24.138 -1.236 190 HB3 SER 27 HB3 SER 27 -4.802 25.738 -1.478 191 HG SER 27 HG SER 27 -6.827 26.595 -1.886 192 H LYS 28 H LYS 28 -4.023 25.728 -5.135 193 HA LYS 28 HA LYS 28 -2.057 23.737 -5.417 194 HB2 LYS 28 HB2 LYS 28 -1.797 26.703 -6.103 195 HB3 LYS 28 HB3 LYS 28 -0.852 25.373 -6.790 196 HG2 LYS 28 HG2 LYS 28 -2.994 24.374 -7.668 197 HG3 LYS 28 HG3 LYS 28 -3.857 25.814 -7.131 198 HD2 LYS 28 HD2 LYS 28 -1.593 25.792 -9.164 199 HD3 LYS 28 HD3 LYS 28 -3.320 25.871 -9.536 200 HE2 LYS 28 HE2 LYS 28 -3.482 28.005 -8.237 201 HE3 LYS 28 HE3 LYS 28 -1.736 27.951 -7.959 202 HZ1 LYS 28 HZ1 LYS 28 -1.417 28.072 -10.376 203 HZ2 LYS 28 HZ2 LYS 28 -2.289 29.352 -9.863 204 HZ3 LYS 28 HZ3 LYS 28 -3.032 28.120 -10.631 205 H LYS 29 H LYS 29 -1.968 26.644 -3.374 206 HA LYS 29 HA LYS 29 0.707 26.384 -2.397 207 HB2 LYS 29 HB2 LYS 29 -0.040 27.879 -0.608 208 HB3 LYS 29 HB3 LYS 29 -0.548 28.426 -2.209 209 HG2 LYS 29 HG2 LYS 29 -2.762 26.948 -1.386 210 HG3 LYS 29 HG3 LYS 29 -2.175 27.568 0.143 211 HD2 LYS 29 HD2 LYS 29 -2.841 29.196 -2.345 212 HD3 LYS 29 HD3 LYS 29 -3.880 29.025 -0.920 213 HE2 LYS 29 HE2 LYS 29 -2.137 30.100 0.497 214 HE3 LYS 29 HE3 LYS 29 -1.102 30.299 -0.923 215 HZ1 LYS 29 HZ1 LYS 29 -2.355 32.325 -0.453 216 HZ2 LYS 29 HZ2 LYS 29 -3.781 31.545 -0.584 217 HZ3 LYS 29 HZ3 LYS 29 -2.824 31.728 -1.897 218 H GLN 30 H GLN 30 -2.287 24.799 -1.305 219 HA GLN 30 HA GLN 30 -1.172 23.816 1.163 220 HB2 GLN 30 HB2 GLN 30 -3.488 22.774 -0.523 221 HB3 GLN 30 HB3 GLN 30 -3.058 22.156 1.061 222 HG2 GLN 30 HG2 GLN 30 -3.869 25.040 0.513 223 HG3 GLN 30 HG3 GLN 30 -4.962 23.777 1.073 224 HE21 GLN 30 HE21 GLN 30 -4.187 26.351 2.407 225 HE22 GLN 30 HE22 GLN 30 -3.528 25.843 3.954 226 H PHE 31 H PHE 31 -1.155 22.565 -2.171 227 HA PHE 31 HA PHE 31 -0.103 19.956 -1.662 228 HB2 PHE 31 HB2 PHE 31 -0.699 21.594 -3.922 229 HB3 PHE 31 HB3 PHE 31 0.976 21.149 -4.092 230 HD1 PHE 31 HD1 PHE 31 1.568 18.906 -4.802 231 HD2 PHE 31 HD2 PHE 31 -2.484 19.829 -3.648 232 HE1 PHE 31 HE1 PHE 31 0.823 16.690 -5.620 233 HE2 PHE 31 HE2 PHE 31 -3.202 17.564 -4.361 234 HZ PHE 31 HZ PHE 31 -1.551 15.973 -5.319 235 H ARG 32 H ARG 32 1.723 22.951 -2.386 236 HA ARG 32 HA ARG 32 4.296 21.841 -1.831 237 HB2 ARG 32 HB2 ARG 32 4.071 23.851 -3.170 238 HB3 ARG 32 HB3 ARG 32 3.253 24.696 -1.857 239 HG2 ARG 32 HG2 ARG 32 5.562 25.476 -2.065 240 HG3 ARG 32 HG3 ARG 32 5.317 24.703 -0.514 241 HD2 ARG 32 HD2 ARG 32 6.302 22.561 -1.590 242 HD3 ARG 32 HD3 ARG 32 6.824 23.578 -2.924 243 HE ARG 32 HE ARG 32 7.932 23.351 -0.232 244 HH11 ARG 32 HH11 ARG 32 7.855 25.680 -2.876 245 HH12 ARG 32 HH12 ARG 32 9.318 26.435 -2.301 246 HH21 ARG 32 HH21 ARG 32 9.604 24.273 0.393 247 HH22 ARG 32 HH22 ARG 32 10.334 25.651 -0.440 248 H GLU 33 H GLU 33 2.222 23.842 0.287 249 HA GLU 33 HA GLU 33 4.021 23.799 2.512 250 HB2 GLU 33 HB2 GLU 33 0.998 24.106 2.408 251 HB3 GLU 33 HB3 GLU 33 1.958 24.364 3.860 252 HG2 GLU 33 HG2 GLU 33 2.331 25.968 1.308 253 HG3 GLU 33 HG3 GLU 33 1.283 26.432 2.648 254 H PHE 34 H PHE 34 1.267 21.527 1.775 255 HA PHE 34 HA PHE 34 1.648 19.976 4.118 256 HB2 PHE 34 HB2 PHE 34 -0.363 20.062 2.519 257 HB3 PHE 34 HB3 PHE 34 0.484 18.843 1.573 258 HD1 PHE 34 HD1 PHE 34 0.921 16.522 2.729 259 HD2 PHE 34 HD2 PHE 34 -1.470 19.651 4.520 260 HE1 PHE 34 HE1 PHE 34 0.042 14.929 4.371 261 HE2 PHE 34 HE2 PHE 34 -2.435 17.999 6.097 262 HZ PHE 34 HZ PHE 34 -1.682 15.631 6.030 263 H LEU 35 H LEU 35 3.130 19.669 0.846 264 HA LEU 35 HA LEU 35 4.506 17.242 1.247 265 HB2 LEU 35 HB2 LEU 35 4.495 19.311 -0.663 266 HB3 LEU 35 HB3 LEU 35 6.141 19.348 -0.083 267 HG LEU 35 HG LEU 35 5.988 17.952 -2.042 268 HD11 LEU 35 HD11 LEU 35 7.510 17.265 -0.175 269 HD12 LEU 35 HD12 LEU 35 7.030 15.978 -1.280 270 HD13 LEU 35 HD13 LEU 35 6.276 16.085 0.321 271 HD21 LEU 35 HD21 LEU 35 3.544 17.500 -1.717 272 HD22 LEU 35 HD22 LEU 35 4.006 16.196 -0.595 273 HD23 LEU 35 HD23 LEU 35 4.500 16.148 -2.300 274 H ASP 36 H ASP 36 5.767 20.530 1.941 275 HA ASP 36 HA ASP 36 8.148 19.488 3.193 276 HB2 ASP 36 HB2 ASP 36 7.011 22.277 3.114 277 HB3 ASP 36 HB3 ASP 36 8.573 21.832 3.803 278 H TYR 37 H TYR 37 5.023 20.490 4.518 279 HA TYR 37 HA TYR 37 5.612 20.295 7.294 280 HB2 TYR 37 HB2 TYR 37 3.568 21.202 6.618 281 HB3 TYR 37 HB3 TYR 37 3.217 19.866 5.545 282 HD1 TYR 37 HD1 TYR 37 3.945 20.066 9.254 283 HD2 TYR 37 HD2 TYR 37 1.306 18.757 6.096 284 HE1 TYR 37 HE1 TYR 37 2.408 19.051 10.935 285 HE2 TYR 37 HE2 TYR 37 -0.229 17.777 7.779 286 HH TYR 37 HH TYR 37 -0.591 17.323 9.988 287 H GLN 38 H GLN 38 4.499 17.634 5.040 288 HA GLN 38 HA GLN 38 4.825 15.635 7.107 289 HB2 GLN 38 HB2 GLN 38 4.720 15.347 4.078 290 HB3 GLN 38 HB3 GLN 38 4.852 13.996 5.202 291 HG2 GLN 38 HG2 GLN 38 2.527 15.924 5.008 292 HG3 GLN 38 HG3 GLN 38 2.551 14.216 4.534 293 HE21 GLN 38 HE21 GLN 38 0.865 15.744 6.575 294 HE22 GLN 38 HE22 GLN 38 1.066 14.783 8.033 295 H LYS 39 H LYS 39 7.097 16.809 4.577 296 HA LYS 39 HA LYS 39 9.238 14.960 5.013 297 HB2 LYS 39 HB2 LYS 39 9.066 17.885 4.253 298 HB3 LYS 39 HB3 LYS 39 10.631 17.134 4.475 299 HG2 LYS 39 HG2 LYS 39 10.449 15.783 2.634 300 HG3 LYS 39 HG3 LYS 39 8.690 15.880 2.497 301 HD2 LYS 39 HD2 LYS 39 8.721 18.066 1.697 302 HD3 LYS 39 HD3 LYS 39 10.359 18.401 2.295 303 HE2 LYS 39 HE2 LYS 39 11.257 16.910 0.499 304 HE3 LYS 39 HE3 LYS 39 9.607 16.702 -0.104 305 HZ1 LYS 39 HZ1 LYS 39 9.606 19.301 -0.089 306 HZ2 LYS 39 HZ2 LYS 39 10.445 18.561 -1.322 307 HZ3 LYS 39 HZ3 LYS 39 11.216 19.187 -0.022 308 H TRP 40 H TRP 40 8.543 18.063 6.640 309 HA TRP 40 HA TRP 40 10.572 17.669 8.673 310 HB2 TRP 40 HB2 TRP 40 8.503 19.787 8.116 311 HB3 TRP 40 HB3 TRP 40 9.634 19.890 9.465 312 HD1 TRP 40 HD1 TRP 40 12.253 18.835 7.911 313 HE1 TRP 40 HE1 TRP 40 13.509 20.428 6.415 314 HE3 TRP 40 HE3 TRP 40 8.448 22.123 6.905 315 HZ2 TRP 40 HZ2 TRP 40 12.965 22.861 4.933 316 HZ3 TRP 40 HZ3 TRP 40 8.867 24.094 5.442 317 HH2 TRP 40 HH2 TRP 40 11.116 24.477 4.464 318 H ARG 41 H ARG 41 7.661 16.136 8.592 319 HA ARG 41 HA ARG 41 7.796 15.826 11.582 320 HB2 ARG 41 HB2 ARG 41 5.513 15.936 9.677 321 HB3 ARG 41 HB3 ARG 41 5.514 14.499 10.657 322 HG2 ARG 41 HG2 ARG 41 4.229 16.104 11.888 323 HG3 ARG 41 HG3 ARG 41 5.760 15.940 12.725 324 HD2 ARG 41 HD2 ARG 41 6.429 18.059 11.116 325 HD3 ARG 41 HD3 ARG 41 4.696 18.246 11.100 326 HE ARG 41 HE ARG 41 4.754 18.389 13.585 327 HH11 ARG 41 HH11 ARG 41 7.193 20.289 15.064 328 HH12 ARG 41 HH12 ARG 41 5.504 19.893 15.057 329 HH21 ARG 41 HH21 ARG 41 8.009 18.582 12.214 330 HH22 ARG 41 HH22 ARG 41 8.558 19.545 13.553 331 H LYS 42 H LYS 42 7.509 14.028 8.551 332 HA LYS 42 HA LYS 42 8.001 11.402 9.681 333 HB2 LYS 42 HB2 LYS 42 8.140 12.457 6.811 334 HB3 LYS 42 HB3 LYS 42 8.213 10.760 7.261 335 HG2 LYS 42 HG2 LYS 42 5.813 12.605 7.609 336 HG3 LYS 42 HG3 LYS 42 6.027 11.316 6.439 337 HD2 LYS 42 HD2 LYS 42 4.754 10.182 7.937 338 HD3 LYS 42 HD3 LYS 42 6.335 9.796 8.615 339 HE2 LYS 42 HE2 LYS 42 6.049 11.728 10.219 340 HE3 LYS 42 HE3 LYS 42 4.465 12.050 9.504 341 HZ1 LYS 42 HZ1 LYS 42 5.222 9.530 10.893 342 HZ2 LYS 42 HZ2 LYS 42 3.757 9.836 10.235 343 HZ3 LYS 42 HZ3 LYS 42 4.273 10.701 11.519 344 H SER 43 H SER 43 10.203 13.790 8.243 345 HA SER 43 HA SER 43 12.476 11.868 8.669 346 HB2 SER 43 HB2 SER 43 11.693 11.877 6.354 347 HB3 SER 43 HB3 SER 43 11.889 13.632 6.274 348 HG SER 43 HG SER 43 13.952 11.702 6.702 349 H GLN 44 H GLN 44 11.561 15.312 8.576 350 HA GLN 44 HA GLN 44 12.464 17.129 9.486 351 HB2 GLN 44 HB2 GLN 44 12.244 15.247 11.422 352 HB3 GLN 44 HB3 GLN 44 13.928 15.687 11.640 353 HG2 GLN 44 HG2 GLN 44 11.547 17.610 11.597 354 HG3 GLN 44 HG3 GLN 44 12.293 16.970 13.048 355 HE21 GLN 44 HE21 GLN 44 12.572 19.383 10.498 356 HE22 GLN 44 HE22 GLN 44 13.993 20.162 11.174 357 H LYS 45 H LYS 45 13.960 16.217 7.301 358 HA LYS 45 HA LYS 45 16.789 16.648 7.789 359 HB2 LYS 45 HB2 LYS 45 17.030 16.704 5.373 360 HB3 LYS 45 HB3 LYS 45 16.141 15.303 5.928 361 HG2 LYS 45 HG2 LYS 45 14.359 17.564 5.172 362 HG3 LYS 45 HG3 LYS 45 15.423 17.077 3.863 363 HD2 LYS 45 HD2 LYS 45 13.589 15.188 5.390 364 HD3 LYS 45 HD3 LYS 45 13.214 15.924 3.823 365 HE2 LYS 45 HE2 LYS 45 15.091 14.805 2.756 366 HE3 LYS 45 HE3 LYS 45 15.654 14.157 4.302 367 HZ1 LYS 45 HZ1 LYS 45 14.365 12.516 3.059 368 HZ2 LYS 45 HZ2 LYS 45 13.040 13.494 3.069 369 HZ3 LYS 45 HZ3 LYS 45 13.632 12.878 4.477 370 H GLU 46 H GLU 46 18.095 18.359 7.284 371 HA GLU 46 HA GLU 46 16.956 21.043 7.617 372 HB2 GLU 46 HB2 GLU 46 19.818 20.104 7.190 373 HB3 GLU 46 HB3 GLU 46 19.318 21.765 7.551 374 HG2 GLU 46 HG2 GLU 46 18.250 20.928 9.674 375 HG3 GLU 46 HG3 GLU 46 18.972 19.346 9.369 376 H GLU 47 H GLU 47 17.476 22.835 6.197 377 HA GLU 47 HA GLU 47 16.872 22.377 3.404 378 HB2 GLU 47 HB2 GLU 47 16.097 24.340 4.637 379 HB3 GLU 47 HB3 GLU 47 17.766 24.871 4.895 380 HG2 GLU 47 HG2 GLU 47 18.070 25.212 2.482 381 HG3 GLU 47 HG3 GLU 47 16.482 24.507 2.156 382 H1 GLY 1 H1 GLY 1 -0.849 22.325 -33.896 383 H2 GLY 1 H2 GLY 1 0.331 23.452 -34.021 384 H3 GLY 1 H3 GLY 1 -1.158 23.757 -34.632 385 HA2 GLY 1 HA2 GLY 1 -0.852 24.959 -32.570 386 HA3 GLY 1 HA3 GLY 1 -2.145 23.752 -32.447 387 H SER 2 H SER 2 -0.716 24.839 -30.232 388 HA SER 2 HA SER 2 1.272 22.969 -29.243 389 HB2 SER 2 HB2 SER 2 0.995 24.212 -27.130 390 HB3 SER 2 HB3 SER 2 1.281 25.276 -28.515 391 HG SER 2 HG SER 2 -0.420 26.030 -27.156 392 H HIS 3 H HIS 3 1.038 21.637 -27.340 393 HA HIS 3 HA HIS 3 -1.239 19.877 -27.472 394 HB2 HIS 3 HB2 HIS 3 0.985 19.987 -25.405 395 HB3 HIS 3 HB3 HIS 3 -0.126 18.647 -25.677 396 HD1 HIS 3 HD1 HIS 3 3.105 20.111 -27.053 397 HD2 HIS 3 HD2 HIS 3 0.200 17.217 -28.010 398 HE1 HIS 3 HE1 HIS 3 4.100 18.692 -28.919 399 H MET 4 H MET 4 -2.897 19.506 -26.043 400 HA MET 4 HA MET 4 -3.927 21.704 -24.514 401 HB2 MET 4 HB2 MET 4 -4.816 18.788 -24.513 402 HB3 MET 4 HB3 MET 4 -5.714 20.166 -23.888 403 HG2 MET 4 HG2 MET 4 -6.700 19.792 -25.951 404 HG3 MET 4 HG3 MET 4 -5.637 21.161 -26.231 405 HE1 MET 4 HE1 MET 4 -6.470 17.423 -26.951 406 HE2 MET 4 HE2 MET 4 -5.068 16.848 -27.879 407 HE3 MET 4 HE3 MET 4 -4.903 17.179 -26.144 408 H GLU 5 H GLU 5 -4.160 22.020 -22.315 409 HA GLU 5 HA GLU 5 -2.241 20.828 -20.507 410 HB2 GLU 5 HB2 GLU 5 -4.640 22.595 -19.863 411 HB3 GLU 5 HB3 GLU 5 -3.290 22.197 -18.815 412 HG2 GLU 5 HG2 GLU 5 -2.749 24.314 -19.529 413 HG3 GLU 5 HG3 GLU 5 -1.739 23.277 -20.529 414 H TYR 6 H TYR 6 -2.530 19.465 -18.816 415 HA TYR 6 HA TYR 6 -3.188 17.615 -17.779 416 HB2 TYR 6 HB2 TYR 6 -5.841 19.053 -17.566 417 HB3 TYR 6 HB3 TYR 6 -5.279 17.723 -16.558 418 HD1 TYR 6 HD1 TYR 6 -5.038 21.324 -17.139 419 HD2 TYR 6 HD2 TYR 6 -3.213 17.950 -15.167 420 HE1 TYR 6 HE1 TYR 6 -3.592 22.868 -15.832 421 HE2 TYR 6 HE2 TYR 6 -1.809 19.474 -13.845 422 HH TYR 6 HH TYR 6 -1.875 23.046 -14.343 423 H ASP 7 H ASP 7 -5.765 16.247 -17.696 424 HA ASP 7 HA ASP 7 -6.384 14.227 -18.437 425 HB2 ASP 7 HB2 ASP 7 -7.519 15.800 -20.060 426 HB3 ASP 7 HB3 ASP 7 -6.282 15.373 -21.241 427 H GLY 8 H GLY 8 -3.530 14.663 -18.176 428 HA2 GLY 8 HA2 GLY 8 -2.276 12.334 -18.432 429 HA3 GLY 8 HA3 GLY 8 -2.220 12.852 -20.123 430 H GLN 9 H GLN 9 -1.842 15.646 -19.716 431 HA GLN 9 HA GLN 9 0.975 15.834 -18.975 432 HB2 GLN 9 HB2 GLN 9 0.135 17.009 -20.883 433 HB3 GLN 9 HB3 GLN 9 -1.088 17.849 -19.953 434 HG2 GLN 9 HG2 GLN 9 1.864 18.197 -19.281 435 HG3 GLN 9 HG3 GLN 9 1.178 19.019 -20.673 436 HE21 GLN 9 HE21 GLN 9 2.292 20.553 -18.648 437 HE22 GLN 9 HE22 GLN 9 0.981 21.404 -17.840 438 H LEU 10 H LEU 10 1.848 17.182 -17.334 439 HA LEU 10 HA LEU 10 0.076 18.311 -15.282 440 HB2 LEU 10 HB2 LEU 10 0.580 15.948 -14.615 441 HB3 LEU 10 HB3 LEU 10 2.300 16.340 -14.597 442 HG LEU 10 HG LEU 10 1.111 16.033 -12.488 443 HD11 LEU 10 HD11 LEU 10 3.167 17.588 -12.786 444 HD12 LEU 10 HD12 LEU 10 2.278 17.439 -11.254 445 HD13 LEU 10 HD13 LEU 10 2.002 18.841 -12.310 446 HD21 LEU 10 HD21 LEU 10 -0.667 17.297 -11.776 447 HD22 LEU 10 HD22 LEU 10 -0.938 17.391 -13.485 448 HD23 LEU 10 HD23 LEU 10 -0.153 18.744 -12.659 449 H ASP 11 H ASP 11 0.878 20.145 -14.387 450 HA ASP 11 HA ASP 11 3.050 21.453 -15.689 451 HB2 ASP 11 HB2 ASP 11 0.871 22.261 -14.268 452 HB3 ASP 11 HB3 ASP 11 2.091 22.400 -13.029 453 H SER 12 H SER 12 5.190 21.693 -15.140 454 HA SER 12 HA SER 12 6.402 19.691 -13.615 455 HB2 SER 12 HB2 SER 12 7.624 22.371 -14.241 456 HB3 SER 12 HB3 SER 12 8.465 20.831 -13.916 457 HG SER 12 HG SER 12 8.315 21.295 -16.173 458 H GLU 13 H GLU 13 5.265 22.751 -12.460 459 HA GLU 13 HA GLU 13 6.667 22.936 -9.970 460 HB2 GLU 13 HB2 GLU 13 3.993 23.972 -10.988 461 HB3 GLU 13 HB3 GLU 13 4.598 24.369 -9.395 462 HG2 GLU 13 HG2 GLU 13 6.128 24.973 -11.967 463 HG3 GLU 13 HG3 GLU 13 4.975 26.083 -11.236 464 H TRP 14 H TRP 14 3.902 20.994 -10.883 465 HA TRP 14 HA TRP 14 3.498 20.202 -8.047 466 HB2 TRP 14 HB2 TRP 14 1.625 19.199 -10.099 467 HB3 TRP 14 HB3 TRP 14 1.354 19.713 -8.441 468 HD1 TRP 14 HD1 TRP 14 0.486 20.722 -11.748 469 HE1 TRP 14 HE1 TRP 14 0.086 23.248 -12.017 470 HE3 TRP 14 HE3 TRP 14 2.322 22.333 -7.247 471 HZ2 TRP 14 HZ2 TRP 14 0.615 25.666 -10.531 472 HZ3 TRP 14 HZ3 TRP 14 2.342 24.755 -6.685 473 HH2 TRP 14 HH2 TRP 14 1.515 26.431 -8.325 474 H GLU 15 H GLU 15 4.468 18.899 -11.154 475 HA GLU 15 HA GLU 15 4.790 16.139 -10.538 476 HB2 GLU 15 HB2 GLU 15 5.227 16.756 -12.766 477 HB3 GLU 15 HB3 GLU 15 6.257 18.114 -12.280 478 HG2 GLU 15 HG2 GLU 15 8.018 16.647 -11.562 479 HG3 GLU 15 HG3 GLU 15 7.031 15.211 -11.900 480 H LYS 16 H LYS 16 6.972 18.903 -9.990 481 HA LYS 16 HA LYS 16 9.041 17.372 -8.749 482 HB2 LYS 16 HB2 LYS 16 10.015 19.461 -8.056 483 HB3 LYS 16 HB3 LYS 16 9.422 19.543 -9.710 484 HG2 LYS 16 HG2 LYS 16 8.645 21.526 -9.076 485 HG3 LYS 16 HG3 LYS 16 7.276 20.574 -8.517 486 HD2 LYS 16 HD2 LYS 16 8.277 20.510 -6.218 487 HD3 LYS 16 HD3 LYS 16 9.674 21.409 -6.782 488 HE2 LYS 16 HE2 LYS 16 6.824 22.504 -6.789 489 HE3 LYS 16 HE3 LYS 16 7.966 22.693 -5.461 490 HZ1 LYS 16 HZ1 LYS 16 8.182 23.896 -8.162 491 HZ2 LYS 16 HZ2 LYS 16 9.491 23.768 -7.168 492 HZ3 LYS 16 HZ3 LYS 16 8.175 24.627 -6.737 493 H LEU 17 H LEU 17 6.143 18.750 -7.363 494 HA LEU 17 HA LEU 17 6.808 18.338 -4.568 495 HB2 LEU 17 HB2 LEU 17 4.125 18.590 -5.978 496 HB3 LEU 17 HB3 LEU 17 4.325 18.609 -4.246 497 HG LEU 17 HG LEU 17 5.654 20.625 -6.088 498 HD11 LEU 17 HD11 LEU 17 3.907 22.124 -5.551 499 HD12 LEU 17 HD12 LEU 17 3.209 21.003 -4.346 500 HD13 LEU 17 HD13 LEU 17 3.114 20.625 -6.075 501 HD21 LEU 17 HD21 LEU 17 5.274 20.435 -3.079 502 HD22 LEU 17 HD22 LEU 17 5.772 21.918 -3.937 503 HD23 LEU 17 HD23 LEU 17 6.817 20.487 -3.962 504 H VAL 18 H VAL 18 4.784 16.408 -6.909 505 HA VAL 18 HA VAL 18 4.330 14.346 -4.931 506 HB VAL 18 HB VAL 18 2.855 14.624 -6.821 507 HG11 VAL 18 HG11 VAL 18 3.530 13.597 -9.038 508 HG12 VAL 18 HG12 VAL 18 4.207 15.198 -8.636 509 HG13 VAL 18 HG13 VAL 18 5.226 13.776 -8.516 510 HG21 VAL 18 HG21 VAL 18 2.511 12.319 -7.374 511 HG22 VAL 18 HG22 VAL 18 4.138 11.851 -6.841 512 HG23 VAL 18 HG23 VAL 18 2.965 12.447 -5.662 513 H ARG 19 H ARG 19 6.854 14.618 -7.466 514 HA ARG 19 HA ARG 19 8.103 12.061 -6.925 515 HB2 ARG 19 HB2 ARG 19 9.145 14.727 -8.036 516 HB3 ARG 19 HB3 ARG 19 10.105 13.220 -7.977 517 HG2 ARG 19 HG2 ARG 19 8.182 12.236 -9.372 518 HG3 ARG 19 HG3 ARG 19 7.708 13.868 -9.733 519 HD2 ARG 19 HD2 ARG 19 10.534 12.799 -10.206 520 HD3 ARG 19 HD3 ARG 19 9.217 12.562 -11.341 521 HE ARG 19 HE ARG 19 9.369 14.745 -12.056 522 HH11 ARG 19 HH11 ARG 19 10.328 16.526 -12.489 523 HH12 ARG 19 HH12 ARG 19 11.567 17.209 -11.439 524 HH21 ARG 19 HH21 ARG 19 11.448 14.559 -9.225 525 HH22 ARG 19 HH22 ARG 19 12.190 16.086 -9.609 526 H ASP 20 H ASP 20 8.629 15.336 -5.573 527 HA ASP 20 HA ASP 20 10.671 14.703 -3.688 528 HB2 ASP 20 HB2 ASP 20 8.505 16.761 -3.962 529 HB3 ASP 20 HB3 ASP 20 9.156 16.521 -2.360 530 H ALA 21 H ALA 21 7.054 14.362 -3.351 531 HA ALA 21 HA ALA 21 7.277 13.512 -0.625 532 HB1 ALA 21 HB1 ALA 21 4.944 12.622 -1.018 533 HB2 ALA 21 HB2 ALA 21 5.208 14.331 -1.394 534 HB3 ALA 21 HB3 ALA 21 5.099 13.129 -2.710 535 H MET 22 H MET 22 7.117 11.639 -3.674 536 HA MET 22 HA MET 22 7.151 9.086 -2.466 537 HB2 MET 22 HB2 MET 22 8.345 9.834 -5.152 538 HB3 MET 22 HB3 MET 22 7.946 8.222 -4.553 539 HG2 MET 22 HG2 MET 22 6.216 10.140 -5.891 540 HG3 MET 22 HG3 MET 22 6.120 8.472 -5.759 541 HE1 MET 22 HE1 MET 22 5.369 7.870 -2.394 542 HE2 MET 22 HE2 MET 22 3.712 7.689 -3.021 543 HE3 MET 22 HE3 MET 22 5.089 7.166 -4.006 544 H THR 23 H THR 23 9.881 11.186 -3.438 545 HA THR 23 HA THR 23 11.888 9.206 -2.613 546 HB THR 23 HB THR 23 13.536 10.927 -3.258 547 HG1 THR 23 HG1 THR 23 11.337 12.396 -4.227 548 HG21 THR 23 HG21 THR 23 12.759 9.330 -4.929 549 HG22 THR 23 HG22 THR 23 13.059 10.912 -5.670 550 HG23 THR 23 HG23 THR 23 11.392 10.380 -5.352 551 H SER 24 H SER 24 10.581 12.185 -1.158 552 HA SER 24 HA SER 24 12.696 12.238 0.831 553 HB2 SER 24 HB2 SER 24 11.547 14.250 -0.314 554 HB3 SER 24 HB3 SER 24 10.287 14.077 0.917 555 HG SER 24 HG SER 24 12.952 14.880 1.048 556 H GLY 25 H GLY 25 10.131 10.236 0.712 557 HA2 GLY 25 HA2 GLY 25 9.527 8.662 2.297 558 HA3 GLY 25 HA3 GLY 25 10.395 9.560 3.542 559 H VAL 26 H VAL 26 7.881 11.048 1.561 560 HA VAL 26 HA VAL 26 6.348 11.799 3.952 561 HB VAL 26 HB VAL 26 6.219 12.494 1.023 562 HG11 VAL 26 HG11 VAL 26 3.923 12.591 1.485 563 HG12 VAL 26 HG12 VAL 26 4.189 13.319 3.074 564 HG13 VAL 26 HG13 VAL 26 4.537 14.247 1.601 565 HG21 VAL 26 HG21 VAL 26 6.745 14.755 1.973 566 HG22 VAL 26 HG22 VAL 26 6.819 14.024 3.580 567 HG23 VAL 26 HG23 VAL 26 7.984 13.548 2.331 568 H SER 27 H SER 27 4.211 11.369 4.384 569 HA SER 27 HA SER 27 3.283 8.761 4.032 570 HB2 SER 27 HB2 SER 27 1.766 11.262 4.795 571 HB3 SER 27 HB3 SER 27 1.199 9.591 5.030 572 HG SER 27 HG SER 27 2.258 10.560 6.892 573 H LYS 28 H LYS 28 3.071 8.082 1.919 574 HA LYS 28 HA LYS 28 1.815 9.398 -0.216 575 HB2 LYS 28 HB2 LYS 28 1.777 7.259 -1.347 576 HB3 LYS 28 HB3 LYS 28 3.278 7.443 -0.443 577 HG2 LYS 28 HG2 LYS 28 2.297 5.978 1.381 578 HG3 LYS 28 HG3 LYS 28 0.859 5.771 0.376 579 HD2 LYS 28 HD2 LYS 28 2.179 3.835 0.086 580 HD3 LYS 28 HD3 LYS 28 2.307 4.761 -1.413 581 HE2 LYS 28 HE2 LYS 28 4.532 5.608 -0.712 582 HE3 LYS 28 HE3 LYS 28 4.371 4.770 0.837 583 HZ1 LYS 28 HZ1 LYS 28 4.303 2.661 -0.400 584 HZ2 LYS 28 HZ2 LYS 28 5.700 3.447 -0.682 585 HZ3 LYS 28 HZ3 LYS 28 4.523 3.447 -1.819 586 H LYS 29 H LYS 29 0.266 7.513 2.327 587 HA LYS 29 HA LYS 29 -2.389 7.435 1.246 588 HB2 LYS 29 HB2 LYS 29 -3.060 6.943 3.551 589 HB3 LYS 29 HB3 LYS 29 -1.679 5.977 3.027 590 HG2 LYS 29 HG2 LYS 29 -0.430 8.152 4.251 591 HG3 LYS 29 HG3 LYS 29 -1.909 8.008 5.198 592 HD2 LYS 29 HD2 LYS 29 -1.380 5.570 5.547 593 HD3 LYS 29 HD3 LYS 29 0.131 5.814 4.634 594 HE2 LYS 29 HE2 LYS 29 0.882 7.480 6.314 595 HE3 LYS 29 HE3 LYS 29 -0.635 7.280 7.204 596 HZ1 LYS 29 HZ1 LYS 29 -0.024 4.955 7.600 597 HZ2 LYS 29 HZ2 LYS 29 1.143 5.938 8.173 598 HZ3 LYS 29 HZ3 LYS 29 1.376 5.130 6.775 599 H GLN 30 H GLN 30 -0.688 10.028 2.956 600 HA GLN 30 HA GLN 30 -3.086 11.520 3.629 601 HB2 GLN 30 HB2 GLN 30 -0.170 12.350 3.305 602 HB3 GLN 30 HB3 GLN 30 -1.420 13.470 3.797 603 HG2 GLN 30 HG2 GLN 30 -0.657 10.925 5.313 604 HG3 GLN 30 HG3 GLN 30 -0.057 12.548 5.671 605 HE21 GLN 30 HE21 GLN 30 -3.024 10.493 5.721 606 HE22 GLN 30 HE22 GLN 30 -3.835 11.521 6.890 607 H PHE 31 H PHE 31 -1.030 11.316 0.757 608 HA PHE 31 HA PHE 31 -1.829 13.714 -0.538 609 HB2 PHE 31 HB2 PHE 31 -0.241 11.403 -1.152 610 HB3 PHE 31 HB3 PHE 31 -1.373 11.630 -2.464 611 HD1 PHE 31 HD1 PHE 31 -0.239 12.673 -4.262 612 HD2 PHE 31 HD2 PHE 31 0.453 14.056 -0.229 613 HE1 PHE 31 HE1 PHE 31 1.283 14.422 -5.115 614 HE2 PHE 31 HE2 PHE 31 1.854 15.881 -1.101 615 HZ PHE 31 HZ PHE 31 2.350 16.040 -3.538 616 H ARG 32 H ARG 32 -3.279 10.476 -0.932 617 HA ARG 32 HA ARG 32 -5.428 11.406 -2.586 618 HB2 ARG 32 HB2 ARG 32 -4.700 9.051 -2.510 619 HB3 ARG 32 HB3 ARG 32 -5.058 8.962 -0.790 620 HG2 ARG 32 HG2 ARG 32 -6.816 7.822 -1.992 621 HG3 ARG 32 HG3 ARG 32 -7.463 9.273 -1.266 622 HD2 ARG 32 HD2 ARG 32 -7.003 10.365 -3.639 623 HD3 ARG 32 HD3 ARG 32 -6.959 8.699 -4.195 624 HE ARG 32 HE ARG 32 -9.280 10.217 -3.104 625 HH11 ARG 32 HH11 ARG 32 -8.288 7.028 -4.226 626 HH12 ARG 32 HH12 ARG 32 -9.947 6.517 -4.379 627 HH21 ARG 32 HH21 ARG 32 -11.189 9.550 -3.258 628 HH22 ARG 32 HH22 ARG 32 -11.615 7.935 -3.842 629 H GLU 33 H GLU 33 -5.428 10.803 0.939 630 HA GLU 33 HA GLU 33 -8.188 11.534 1.248 631 HB2 GLU 33 HB2 GLU 33 -5.951 11.719 3.312 632 HB3 GLU 33 HB3 GLU 33 -7.682 11.804 3.641 633 HG2 GLU 33 HG2 GLU 33 -6.109 9.402 2.698 634 HG3 GLU 33 HG3 GLU 33 -6.964 9.613 4.226 635 H PHE 34 H PHE 34 -5.231 13.620 1.536 636 HA PHE 34 HA PHE 34 -6.817 15.943 2.166 637 HB2 PHE 34 HB2 PHE 34 -4.935 16.682 2.906 638 HB3 PHE 34 HB3 PHE 34 -4.054 15.347 2.238 639 HD1 PHE 34 HD1 PHE 34 -5.067 18.865 1.745 640 HD2 PHE 34 HD2 PHE 34 -2.816 15.563 0.130 641 HE1 PHE 34 HE1 PHE 34 -3.978 20.390 0.132 642 HE2 PHE 34 HE2 PHE 34 -1.667 17.118 -1.441 643 HZ PHE 34 HZ PHE 34 -2.258 19.539 -1.423 644 H LEU 35 H LEU 35 -5.683 14.580 -0.935 645 HA LEU 35 HA LEU 35 -6.346 16.668 -2.686 646 HB2 LEU 35 HB2 LEU 35 -5.468 14.198 -3.110 647 HB3 LEU 35 HB3 LEU 35 -7.155 13.797 -3.232 648 HG LEU 35 HG LEU 35 -5.312 15.206 -5.078 649 HD11 LEU 35 HD11 LEU 35 -6.129 12.893 -5.353 650 HD12 LEU 35 HD12 LEU 35 -6.557 13.914 -6.720 651 HD13 LEU 35 HD13 LEU 35 -7.789 13.485 -5.505 652 HD21 LEU 35 HD21 LEU 35 -8.256 15.928 -5.003 653 HD22 LEU 35 HD22 LEU 35 -7.199 16.181 -6.400 654 HD23 LEU 35 HD23 LEU 35 -6.865 17.029 -4.886 655 H ASP 36 H ASP 36 -8.496 14.016 -1.556 656 HA ASP 36 HA ASP 36 -10.874 15.109 -2.717 657 HB2 ASP 36 HB2 ASP 36 -10.475 12.950 -0.645 658 HB3 ASP 36 HB3 ASP 36 -12.035 13.374 -1.356 659 H TYR 37 H TYR 37 -9.551 15.366 0.605 660 HA TYR 37 HA TYR 37 -11.699 16.847 1.746 661 HB2 TYR 37 HB2 TYR 37 -10.163 16.118 3.270 662 HB3 TYR 37 HB3 TYR 37 -8.794 16.491 2.247 663 HD1 TYR 37 HD1 TYR 37 -7.311 17.938 3.241 664 HD2 TYR 37 HD2 TYR 37 -11.545 18.575 3.775 665 HE1 TYR 37 HE1 TYR 37 -6.829 19.978 4.570 666 HE2 TYR 37 HE2 TYR 37 -11.058 20.640 5.071 667 HH TYR 37 HH TYR 37 -7.705 21.723 5.764 668 H GLN 38 H GLN 38 -8.783 18.193 -0.021 669 HA GLN 38 HA GLN 38 -9.854 20.874 0.097 670 HB2 GLN 38 HB2 GLN 38 -7.794 19.642 -1.776 671 HB3 GLN 38 HB3 GLN 38 -8.291 21.316 -1.865 672 HG2 GLN 38 HG2 GLN 38 -6.875 19.971 0.457 673 HG3 GLN 38 HG3 GLN 38 -6.230 21.207 -0.642 674 HE21 GLN 38 HE21 GLN 38 -6.445 21.273 2.347 675 HE22 GLN 38 HE22 GLN 38 -7.404 22.705 2.669 676 H LYS 39 H LYS 39 -10.235 18.314 -2.382 677 HA LYS 39 HA LYS 39 -11.597 19.811 -4.374 678 HB2 LYS 39 HB2 LYS 39 -11.554 16.951 -3.428 679 HB3 LYS 39 HB3 LYS 39 -12.834 17.419 -4.521 680 HG2 LYS 39 HG2 LYS 39 -11.289 18.028 -6.231 681 HG3 LYS 39 HG3 LYS 39 -9.878 17.744 -5.206 682 HD2 LYS 39 HD2 LYS 39 -10.420 15.402 -4.974 683 HD3 LYS 39 HD3 LYS 39 -11.988 15.604 -5.762 684 HE2 LYS 39 HE2 LYS 39 -10.925 16.001 -7.913 685 HE3 LYS 39 HE3 LYS 39 -9.323 15.969 -7.175 686 HZ1 LYS 39 HZ1 LYS 39 -9.808 13.754 -8.079 687 HZ2 LYS 39 HZ2 LYS 39 -11.245 13.693 -7.313 688 HZ3 LYS 39 HZ3 LYS 39 -9.875 13.632 -6.444 689 H TRP 40 H TRP 40 -13.016 18.053 -1.597 690 HA TRP 40 HA TRP 40 -15.681 19.100 -2.071 691 HB2 TRP 40 HB2 TRP 40 -14.393 17.176 -0.206 692 HB3 TRP 40 HB3 TRP 40 -15.853 17.952 0.356 693 HD1 TRP 40 HD1 TRP 40 -18.077 17.047 -0.384 694 HE1 TRP 40 HE1 TRP 40 -18.893 15.199 -1.949 695 HE3 TRP 40 HE3 TRP 40 -13.668 15.946 -2.759 696 HZ2 TRP 40 HZ2 TRP 40 -17.847 13.614 -4.111 697 HZ3 TRP 40 HZ3 TRP 40 -13.612 14.250 -4.570 698 HH2 TRP 40 HH2 TRP 40 -15.697 13.097 -5.272 699 H ARG 41 H ARG 41 -13.053 20.662 -0.602 700 HA ARG 41 HA ARG 41 -14.858 22.542 0.893 701 HB2 ARG 41 HB2 ARG 41 -11.957 21.806 1.004 702 HB3 ARG 41 HB3 ARG 41 -12.277 23.513 1.057 703 HG2 ARG 41 HG2 ARG 41 -12.088 22.708 3.296 704 HG3 ARG 41 HG3 ARG 41 -13.736 23.239 3.036 705 HD2 ARG 41 HD2 ARG 41 -12.872 20.308 2.858 706 HD3 ARG 41 HD3 ARG 41 -13.408 21.054 4.347 707 HE ARG 41 HE ARG 41 -15.064 20.504 1.941 708 HH11 ARG 41 HH11 ARG 41 -15.162 21.842 5.240 709 HH12 ARG 41 HH12 ARG 41 -16.892 21.452 5.316 710 HH21 ARG 41 HH21 ARG 41 -17.240 20.316 2.192 711 HH22 ARG 41 HH22 ARG 41 -17.950 20.739 3.761 712 H LYS 42 H LYS 42 -12.467 22.519 -1.729 713 HA LYS 42 HA LYS 42 -12.892 25.296 -2.472 714 HB2 LYS 42 HB2 LYS 42 -11.337 22.996 -3.780 715 HB3 LYS 42 HB3 LYS 42 -11.302 24.665 -4.346 716 HG2 LYS 42 HG2 LYS 42 -10.331 23.679 -1.637 717 HG3 LYS 42 HG3 LYS 42 -9.330 24.114 -3.010 718 HD2 LYS 42 HD2 LYS 42 -9.280 26.261 -2.353 719 HD3 LYS 42 HD3 LYS 42 -11.011 26.386 -2.523 720 HE2 LYS 42 HE2 LYS 42 -10.562 26.996 -0.285 721 HE3 LYS 42 HE3 LYS 42 -11.251 25.368 -0.199 722 HZ1 LYS 42 HZ1 LYS 42 -9.184 25.752 1.178 723 HZ2 LYS 42 HZ2 LYS 42 -8.319 25.859 -0.220 724 HZ3 LYS 42 HZ3 LYS 42 -9.058 24.472 0.165 725 H SER 43 H SER 43 -13.582 22.228 -4.156 726 HA SER 43 HA SER 43 -15.277 23.672 -6.136 727 HB2 SER 43 HB2 SER 43 -13.614 22.098 -6.981 728 HB3 SER 43 HB3 SER 43 -14.329 20.792 -6.030 729 HG SER 43 HG SER 43 -15.462 22.212 -8.223 730 H GLN 44 H GLN 44 -15.523 21.393 -3.443 731 HA GLN 44 HA GLN 44 -17.251 20.713 -2.179 732 HB2 GLN 44 HB2 GLN 44 -17.493 23.388 -2.356 733 HB3 GLN 44 HB3 GLN 44 -19.065 22.950 -2.990 734 HG2 GLN 44 HG2 GLN 44 -17.866 22.359 -0.264 735 HG3 GLN 44 HG3 GLN 44 -19.282 23.325 -0.633 736 HE21 GLN 44 HE21 GLN 44 -18.059 20.026 -0.211 737 HE22 GLN 44 HE22 GLN 44 -19.655 19.247 -0.265 738 H LYS 45 H LYS 45 -17.056 19.155 -4.125 739 HA LYS 45 HA LYS 45 -18.780 19.292 -6.311 740 HB2 LYS 45 HB2 LYS 45 -17.197 16.953 -5.178 741 HB3 LYS 45 HB3 LYS 45 -17.831 17.032 -6.823 742 HG2 LYS 45 HG2 LYS 45 -16.358 18.765 -7.477 743 HG3 LYS 45 HG3 LYS 45 -16.002 19.233 -5.820 744 HD2 LYS 45 HD2 LYS 45 -14.065 18.145 -6.537 745 HD3 LYS 45 HD3 LYS 45 -14.897 17.063 -5.425 746 HE2 LYS 45 HE2 LYS 45 -14.096 15.703 -7.214 747 HE3 LYS 45 HE3 LYS 45 -15.843 15.833 -7.432 748 HZ1 LYS 45 HZ1 LYS 45 -14.654 16.182 -9.516 749 HZ2 LYS 45 HZ2 LYS 45 -13.805 17.448 -8.890 750 HZ3 LYS 45 HZ3 LYS 45 -15.436 17.543 -9.110 751 H GLU 46 H GLU 46 -19.240 17.372 -3.382 752 HA GLU 46 HA GLU 46 -20.869 15.963 -2.661 753 HB2 GLU 46 HB2 GLU 46 -22.667 17.843 -4.223 754 HB3 GLU 46 HB3 GLU 46 -23.210 16.700 -2.999 755 HG2 GLU 46 HG2 GLU 46 -21.299 19.013 -2.500 756 HG3 GLU 46 HG3 GLU 46 -23.015 18.986 -2.115 757 H GLU 47 H GLU 47 -19.578 15.124 -5.179 758 HA GLU 47 HA GLU 47 -21.499 13.681 -6.803 759 HB2 GLU 47 HB2 GLU 47 -18.480 13.466 -6.529 760 HB3 GLU 47 HB3 GLU 47 -19.447 12.499 -7.652 761 HG2 GLU 47 HG2 GLU 47 -20.265 14.538 -8.765 762 HG3 GLU 47 HG3 GLU 47 -19.363 15.545 -7.635 763 H1 GLY 1 H1 GLY 1 -17.505 -2.027 23.222 764 H2 GLY 1 H2 GLY 1 -16.356 -0.943 22.787 765 H3 GLY 1 H3 GLY 1 -17.909 -0.717 22.323 766 HA2 GLY 1 HA2 GLY 1 -18.615 -0.402 24.601 767 HA3 GLY 1 HA3 GLY 1 -16.934 -0.653 25.107 768 H SER 2 H SER 2 -18.024 1.596 25.972 769 HA SER 2 HA SER 2 -17.893 3.901 24.300 770 HB2 SER 2 HB2 SER 2 -17.529 3.700 27.314 771 HB3 SER 2 HB3 SER 2 -17.943 5.161 26.398 772 HG SER 2 HG SER 2 -19.798 4.148 27.300 773 H HIS 3 H HIS 3 -16.405 5.672 24.329 774 HA HIS 3 HA HIS 3 -13.618 5.026 24.154 775 HB2 HIS 3 HB2 HIS 3 -15.032 7.712 24.391 776 HB3 HIS 3 HB3 HIS 3 -13.325 7.511 24.028 777 HD1 HIS 3 HD1 HIS 3 -16.714 7.337 22.302 778 HD2 HIS 3 HD2 HIS 3 -12.656 6.458 21.606 779 HE1 HIS 3 HE1 HIS 3 -16.483 6.975 19.793 780 H MET 4 H MET 4 -11.894 5.575 25.418 781 HA MET 4 HA MET 4 -12.378 6.283 28.301 782 HB2 MET 4 HB2 MET 4 -10.014 4.826 27.061 783 HB3 MET 4 HB3 MET 4 -10.229 5.198 28.774 784 HG2 MET 4 HG2 MET 4 -12.011 3.367 27.119 785 HG3 MET 4 HG3 MET 4 -10.758 2.848 28.236 786 HE1 MET 4 HE1 MET 4 -14.296 1.842 29.787 787 HE2 MET 4 HE2 MET 4 -13.970 2.066 28.053 788 HE3 MET 4 HE3 MET 4 -12.788 1.220 29.080 789 H GLU 5 H GLU 5 -11.134 7.338 25.331 790 HA GLU 5 HA GLU 5 -8.999 9.060 26.156 791 HB2 GLU 5 HB2 GLU 5 -10.662 8.940 23.593 792 HB3 GLU 5 HB3 GLU 5 -9.158 9.823 23.798 793 HG2 GLU 5 HG2 GLU 5 -8.568 7.874 22.653 794 HG3 GLU 5 HG3 GLU 5 -7.971 7.681 24.295 795 H TYR 6 H TYR 6 -12.291 9.494 26.578 796 HA TYR 6 HA TYR 6 -12.024 12.354 27.156 797 HB2 TYR 6 HB2 TYR 6 -12.681 12.019 24.655 798 HB3 TYR 6 HB3 TYR 6 -14.236 11.484 25.265 799 HD1 TYR 6 HD1 TYR 6 -11.798 14.288 25.183 800 HD2 TYR 6 HD2 TYR 6 -15.880 13.158 25.985 801 HE1 TYR 6 HE1 TYR 6 -12.451 16.666 25.129 802 HE2 TYR 6 HE2 TYR 6 -16.503 15.555 26.144 803 HH TYR 6 HH TYR 6 -15.765 17.677 26.160 804 H ASP 7 H ASP 7 -13.635 13.124 28.577 805 HA ASP 7 HA ASP 7 -15.673 11.248 29.617 806 HB2 ASP 7 HB2 ASP 7 -13.485 10.737 30.751 807 HB3 ASP 7 HB3 ASP 7 -13.481 12.373 31.403 808 H GLY 8 H GLY 8 -16.348 13.418 28.225 809 HA2 GLY 8 HA2 GLY 8 -17.765 15.238 28.278 810 HA3 GLY 8 HA3 GLY 8 -17.980 14.972 30.009 811 H GLN 9 H GLN 9 -14.736 15.472 28.928 812 HA GLN 9 HA GLN 9 -14.613 18.327 29.713 813 HB2 GLN 9 HB2 GLN 9 -14.504 17.075 31.805 814 HB3 GLN 9 HB3 GLN 9 -13.316 15.964 31.128 815 HG2 GLN 9 HG2 GLN 9 -12.283 17.582 32.682 816 HG3 GLN 9 HG3 GLN 9 -11.603 17.677 31.069 817 HE21 GLN 9 HE21 GLN 9 -12.151 21.173 31.047 818 HE22 GLN 9 HE22 GLN 9 -11.143 19.810 30.558 819 H LEU 10 H LEU 10 -13.101 19.393 28.537 820 HA LEU 10 HA LEU 10 -11.473 17.966 26.636 821 HB2 LEU 10 HB2 LEU 10 -12.583 20.292 26.421 822 HB3 LEU 10 HB3 LEU 10 -11.206 20.918 27.319 823 HG LEU 10 HG LEU 10 -11.171 21.207 24.878 824 HD11 LEU 10 HD11 LEU 10 -9.064 20.971 26.282 825 HD12 LEU 10 HD12 LEU 10 -8.981 20.832 24.517 826 HD13 LEU 10 HD13 LEU 10 -8.869 19.372 25.532 827 HD21 LEU 10 HD21 LEU 10 -11.556 19.580 23.412 828 HD22 LEU 10 HD22 LEU 10 -12.141 18.655 24.728 829 HD23 LEU 10 HD23 LEU 10 -10.463 18.420 24.211 830 H ASP 11 H ASP 11 -9.448 17.419 26.654 831 HA ASP 11 HA ASP 11 -8.536 16.832 29.265 832 HB2 ASP 11 HB2 ASP 11 -8.786 15.413 27.001 833 HB3 ASP 11 HB3 ASP 11 -7.215 16.037 26.645 834 H SER 12 H SER 12 -7.943 19.474 28.476 835 HA SER 12 HA SER 12 -6.566 21.096 28.758 836 HB2 SER 12 HB2 SER 12 -4.795 19.224 30.344 837 HB3 SER 12 HB3 SER 12 -4.685 20.991 30.327 838 HG SER 12 HG SER 12 -6.873 19.401 31.227 839 H GLU 13 H GLU 13 -4.914 18.282 27.594 840 HA GLU 13 HA GLU 13 -2.586 19.433 26.393 841 HB2 GLU 13 HB2 GLU 13 -4.274 16.946 25.927 842 HB3 GLU 13 HB3 GLU 13 -2.822 17.253 24.973 843 HG2 GLU 13 HG2 GLU 13 -2.877 17.049 28.016 844 HG3 GLU 13 HG3 GLU 13 -2.490 15.725 26.927 845 H TRP 14 H TRP 14 -5.918 19.118 25.274 846 HA TRP 14 HA TRP 14 -5.194 20.099 22.612 847 HB2 TRP 14 HB2 TRP 14 -7.969 19.361 23.326 848 HB3 TRP 14 HB3 TRP 14 -7.079 19.164 21.813 849 HD1 TRP 14 HD1 TRP 14 -8.542 17.149 24.328 850 HE1 TRP 14 HE1 TRP 14 -7.394 14.881 24.699 851 HE3 TRP 14 HE3 TRP 14 -4.230 17.944 21.685 852 HZ2 TRP 14 HZ2 TRP 14 -4.855 13.664 24.140 853 HZ3 TRP 14 HZ3 TRP 14 -2.454 16.213 21.624 854 HH2 TRP 14 HH2 TRP 14 -2.736 14.083 22.871 855 H GLU 15 H GLU 15 -6.780 21.253 25.470 856 HA GLU 15 HA GLU 15 -7.866 23.739 24.584 857 HB2 GLU 15 HB2 GLU 15 -8.454 23.065 26.764 858 HB3 GLU 15 HB3 GLU 15 -6.789 22.660 27.191 859 HG2 GLU 15 HG2 GLU 15 -6.220 25.097 27.137 860 HG3 GLU 15 HG3 GLU 15 -7.938 25.456 26.916 861 H LYS 16 H LYS 16 -4.606 22.864 25.833 862 HA LYS 16 HA LYS 16 -3.592 25.533 25.538 863 HB2 LYS 16 HB2 LYS 16 -1.430 24.647 26.014 864 HB3 LYS 16 HB3 LYS 16 -2.668 24.019 27.093 865 HG2 LYS 16 HG2 LYS 16 -1.640 22.096 26.792 866 HG3 LYS 16 HG3 LYS 16 -2.661 21.991 25.371 867 HD2 LYS 16 HD2 LYS 16 -0.822 22.651 23.898 868 HD3 LYS 16 HD3 LYS 16 0.115 23.250 25.266 869 HE2 LYS 16 HE2 LYS 16 1.210 21.263 24.827 870 HE3 LYS 16 HE3 LYS 16 0.150 20.867 26.176 871 HZ1 LYS 16 HZ1 LYS 16 -1.438 20.122 24.234 872 HZ2 LYS 16 HZ2 LYS 16 -0.265 19.135 24.788 873 HZ3 LYS 16 HZ3 LYS 16 -0.038 19.982 23.389 874 H LEU 17 H LEU 17 -3.825 22.976 23.199 875 HA LEU 17 HA LEU 17 -2.142 24.172 21.147 876 HB2 LEU 17 HB2 LEU 17 -4.427 22.180 21.034 877 HB3 LEU 17 HB3 LEU 17 -3.470 22.618 19.642 878 HG LEU 17 HG LEU 17 -2.191 21.511 22.174 879 HD11 LEU 17 HD11 LEU 17 -2.316 19.351 21.264 880 HD12 LEU 17 HD12 LEU 17 -2.924 19.954 19.688 881 HD13 LEU 17 HD13 LEU 17 -3.945 20.016 21.117 882 HD21 LEU 17 HD21 LEU 17 -1.324 21.879 19.296 883 HD22 LEU 17 HD22 LEU 17 -0.454 20.860 20.480 884 HD23 LEU 17 HD23 LEU 17 -0.594 22.607 20.742 885 H VAL 18 H VAL 18 -5.760 24.115 21.627 886 HA VAL 18 HA VAL 18 -6.167 25.906 19.388 887 HB VAL 18 HB VAL 18 -7.878 24.402 20.250 888 HG11 VAL 18 HG11 VAL 18 -7.824 26.204 22.673 889 HG12 VAL 18 HG12 VAL 18 -9.229 25.181 22.244 890 HG13 VAL 18 HG13 VAL 18 -7.629 24.472 22.554 891 HG21 VAL 18 HG21 VAL 18 -8.807 27.303 20.292 892 HG22 VAL 18 HG22 VAL 18 -8.579 26.297 18.862 893 HG23 VAL 18 HG23 VAL 18 -9.795 25.842 20.073 894 H ARG 19 H ARG 19 -5.683 26.614 22.848 895 HA ARG 19 HA ARG 19 -5.973 29.474 22.628 896 HB2 ARG 19 HB2 ARG 19 -4.539 27.611 24.551 897 HB3 ARG 19 HB3 ARG 19 -4.439 29.386 24.706 898 HG2 ARG 19 HG2 ARG 19 -6.944 29.409 24.753 899 HG3 ARG 19 HG3 ARG 19 -6.926 27.653 24.934 900 HD2 ARG 19 HD2 ARG 19 -5.718 29.758 26.787 901 HD3 ARG 19 HD3 ARG 19 -7.277 28.977 26.969 902 HE ARG 19 HE ARG 19 -6.289 26.969 27.638 903 HH11 ARG 19 HH11 ARG 19 -3.736 29.378 27.225 904 HH12 ARG 19 HH12 ARG 19 -2.613 28.394 28.119 905 HH21 ARG 19 HH21 ARG 19 -4.948 26.024 29.001 906 HH22 ARG 19 HH22 ARG 19 -3.280 26.540 29.120 907 H ASP 20 H ASP 20 -3.104 27.376 22.294 908 HA ASP 20 HA ASP 20 -1.214 29.352 21.532 909 HB2 ASP 20 HB2 ASP 20 -1.579 26.419 21.205 910 HB3 ASP 20 HB3 ASP 20 -0.616 27.154 19.943 911 H ALA 21 H ALA 21 -3.702 27.724 19.483 912 HA ALA 21 HA ALA 21 -2.782 28.985 17.057 913 HB1 ALA 21 HB1 ALA 21 -4.097 27.073 16.807 914 HB2 ALA 21 HB2 ALA 21 -5.403 27.687 17.860 915 HB3 ALA 21 HB3 ALA 21 -5.140 28.407 16.270 916 H MET 22 H MET 22 -5.281 29.947 19.482 917 HA MET 22 HA MET 22 -6.053 32.282 18.085 918 HB2 MET 22 HB2 MET 22 -6.046 31.771 21.077 919 HB3 MET 22 HB3 MET 22 -6.694 33.242 20.339 920 HG2 MET 22 HG2 MET 22 -7.750 30.451 20.040 921 HG3 MET 22 HG3 MET 22 -8.545 31.882 20.671 922 HE1 MET 22 HE1 MET 22 -9.239 30.149 16.837 923 HE2 MET 22 HE2 MET 22 -7.569 29.916 17.476 924 HE3 MET 22 HE3 MET 22 -8.991 29.580 18.496 925 H THR 23 H THR 23 -3.328 31.793 20.416 926 HA THR 23 HA THR 23 -2.507 34.579 20.239 927 HB THR 23 HB THR 23 -0.568 33.934 21.574 928 HG1 THR 23 HG1 THR 23 -0.119 31.886 20.924 929 HG21 THR 23 HG21 THR 23 -3.170 32.749 22.624 930 HG22 THR 23 HG22 THR 23 -2.687 34.456 22.704 931 HG23 THR 23 HG23 THR 23 -1.758 33.230 23.588 932 H SER 24 H SER 24 -1.341 31.634 18.566 933 HA SER 24 HA SER 24 0.885 33.131 17.409 934 HB2 SER 24 HB2 SER 24 0.914 30.691 18.218 935 HB3 SER 24 HB3 SER 24 0.154 30.289 16.670 936 HG SER 24 HG SER 24 2.653 31.565 17.229 937 H GLY 25 H GLY 25 -2.209 33.446 16.647 938 HA2 GLY 25 HA2 GLY 25 -3.238 34.427 14.842 939 HA3 GLY 25 HA3 GLY 25 -1.649 34.620 14.094 940 H VAL 26 H VAL 26 -2.882 31.449 14.952 941 HA VAL 26 HA VAL 26 -2.613 30.413 12.247 942 HB VAL 26 HB VAL 26 -3.495 29.326 14.890 943 HG11 VAL 26 HG11 VAL 26 -3.845 27.843 12.330 944 HG12 VAL 26 HG12 VAL 26 -3.529 27.026 13.878 945 HG13 VAL 26 HG13 VAL 26 -4.966 28.043 13.672 946 HG21 VAL 26 HG21 VAL 26 -1.203 28.753 12.986 947 HG22 VAL 26 HG22 VAL 26 -1.111 29.603 14.534 948 HG23 VAL 26 HG23 VAL 26 -1.481 27.876 14.497 949 H SER 27 H SER 27 -4.146 29.725 10.841 950 HA SER 27 HA SER 27 -6.401 31.349 10.459 951 HB2 SER 27 HB2 SER 27 -5.808 28.622 9.294 952 HB3 SER 27 HB3 SER 27 -7.004 29.768 8.659 953 HG SER 27 HG SER 27 -5.337 31.205 8.194 954 H LYS 28 H LYS 28 -8.151 31.426 11.739 955 HA LYS 28 HA LYS 28 -8.857 29.349 13.525 956 HB2 LYS 28 HB2 LYS 28 -10.578 31.717 12.667 957 HB3 LYS 28 HB3 LYS 28 -10.763 30.742 14.133 958 HG2 LYS 28 HG2 LYS 28 -8.451 31.443 14.848 959 HG3 LYS 28 HG3 LYS 28 -8.379 32.516 13.440 960 HD2 LYS 28 HD2 LYS 28 -10.428 33.699 14.291 961 HD3 LYS 28 HD3 LYS 28 -10.337 32.695 15.757 962 HE2 LYS 28 HE2 LYS 28 -8.026 33.536 16.170 963 HE3 LYS 28 HE3 LYS 28 -8.143 34.553 14.730 964 HZ1 LYS 28 HZ1 LYS 28 -9.877 34.795 17.134 965 HZ2 LYS 28 HZ2 LYS 28 -9.999 35.732 15.797 966 HZ3 LYS 28 HZ3 LYS 28 -8.667 35.813 16.734 967 H LYS 29 H LYS 29 -9.992 29.851 10.218 968 HA LYS 29 HA LYS 29 -12.209 28.014 10.320 969 HB2 LYS 29 HB2 LYS 29 -12.077 28.083 7.901 970 HB3 LYS 29 HB3 LYS 29 -11.942 29.706 8.588 971 HG2 LYS 29 HG2 LYS 29 -9.270 28.929 8.360 972 HG3 LYS 29 HG3 LYS 29 -10.005 28.078 7.011 973 HD2 LYS 29 HD2 LYS 29 -10.183 31.065 7.605 974 HD3 LYS 29 HD3 LYS 29 -9.111 30.323 6.404 975 HE2 LYS 29 HE2 LYS 29 -11.083 29.472 5.147 976 HE3 LYS 29 HE3 LYS 29 -12.166 30.220 6.328 977 HZ1 LYS 29 HZ1 LYS 29 -10.259 31.704 4.594 978 HZ2 LYS 29 HZ2 LYS 29 -11.260 32.393 5.689 979 HZ3 LYS 29 HZ3 LYS 29 -11.876 31.637 4.382 980 H GLN 30 H GLN 30 -8.731 27.515 9.928 981 HA GLN 30 HA GLN 30 -8.890 24.915 8.760 982 HB2 GLN 30 HB2 GLN 30 -6.700 26.293 10.372 983 HB3 GLN 30 HB3 GLN 30 -6.523 24.693 9.703 984 HG2 GLN 30 HG2 GLN 30 -7.171 27.183 8.066 985 HG3 GLN 30 HG3 GLN 30 -5.566 26.491 8.250 986 HE21 GLN 30 HE21 GLN 30 -7.181 26.881 5.755 987 HE22 GLN 30 HE22 GLN 30 -7.328 25.261 5.089 988 H PHE 31 H PHE 31 -9.220 25.956 12.081 989 HA PHE 31 HA PHE 31 -8.950 23.391 13.368 990 HB2 PHE 31 HB2 PHE 31 -10.225 25.989 14.061 991 HB3 PHE 31 HB3 PHE 31 -10.984 24.562 14.751 992 HD1 PHE 31 HD1 PHE 31 -10.170 23.521 16.650 993 HD2 PHE 31 HD2 PHE 31 -7.564 26.079 14.344 994 HE1 PHE 31 HE1 PHE 31 -8.355 23.188 18.311 995 HE2 PHE 31 HE2 PHE 31 -5.766 25.710 15.981 996 HZ PHE 31 HZ PHE 31 -6.137 24.196 17.940 997 H ARG 32 H ARG 32 -11.937 24.902 12.075 998 HA ARG 32 HA ARG 32 -13.483 22.490 12.346 999 HB2 ARG 32 HB2 ARG 32 -14.496 24.757 12.211 1000 HB3 ARG 32 HB3 ARG 32 -13.815 24.976 10.603 1001 HG2 ARG 32 HG2 ARG 32 -16.159 24.458 10.367 1002 HG3 ARG 32 HG3 ARG 32 -15.244 23.093 9.764 1003 HD2 ARG 32 HD2 ARG 32 -15.569 22.182 12.264 1004 HD3 ARG 32 HD3 ARG 32 -16.916 23.313 12.280 1005 HE ARG 32 HE ARG 32 -16.532 21.216 10.137 1006 HH11 ARG 32 HH11 ARG 32 -18.873 22.604 12.386 1007 HH12 ARG 32 HH12 ARG 32 -19.999 21.313 12.052 1008 HH21 ARG 32 HH21 ARG 32 -17.791 19.610 10.040 1009 HH22 ARG 32 HH22 ARG 32 -19.459 19.651 10.584 1010 H GLU 33 H GLU 33 -11.866 23.874 9.471 1011 HA GLU 33 HA GLU 33 -12.727 21.759 7.757 1012 HB2 GLU 33 HB2 GLU 33 -10.242 23.481 7.459 1013 HB3 GLU 33 HB3 GLU 33 -11.013 22.515 6.208 1014 HG2 GLU 33 HG2 GLU 33 -11.959 25.092 7.393 1015 HG3 GLU 33 HG3 GLU 33 -11.683 24.680 5.708 1016 H PHE 34 H PHE 34 -9.730 21.892 9.783 1017 HA PHE 34 HA PHE 34 -8.772 19.368 8.770 1018 HB2 PHE 34 HB2 PHE 34 -7.447 21.224 9.980 1019 HB3 PHE 34 HB3 PHE 34 -8.029 20.502 11.477 1020 HD1 PHE 34 HD1 PHE 34 -7.531 17.867 11.752 1021 HD2 PHE 34 HD2 PHE 34 -5.614 20.420 8.828 1022 HE1 PHE 34 HE1 PHE 34 -5.820 16.152 11.336 1023 HE2 PHE 34 HE2 PHE 34 -3.844 18.713 8.501 1024 HZ PHE 34 HZ PHE 34 -3.951 16.563 9.747 1025 H LEU 35 H LEU 35 -10.819 20.321 11.535 1026 HA LEU 35 HA LEU 35 -11.131 17.821 12.819 1027 HB2 LEU 35 HB2 LEU 35 -12.206 20.319 13.152 1028 HB3 LEU 35 HB3 LEU 35 -13.551 19.554 12.367 1029 HG LEU 35 HG LEU 35 -12.327 19.074 15.082 1030 HD11 LEU 35 HD11 LEU 35 -14.640 19.353 15.738 1031 HD12 LEU 35 HD12 LEU 35 -15.164 19.415 14.043 1032 HD13 LEU 35 HD13 LEU 35 -14.131 20.694 14.720 1033 HD21 LEU 35 HD21 LEU 35 -14.049 17.128 13.526 1034 HD22 LEU 35 HD22 LEU 35 -13.952 17.130 15.298 1035 HD23 LEU 35 HD23 LEU 35 -12.505 16.798 14.331 1036 H ASP 36 H ASP 36 -13.007 19.245 10.125 1037 HA ASP 36 HA ASP 36 -14.591 16.963 9.496 1038 HB2 ASP 36 HB2 ASP 36 -13.755 19.374 7.856 1039 HB3 ASP 36 HB3 ASP 36 -14.885 18.151 7.286 1040 H TYR 37 H TYR 37 -11.447 18.022 8.074 1041 HA TYR 37 HA TYR 37 -11.110 16.026 6.153 1042 HB2 TYR 37 HB2 TYR 37 -9.623 17.916 6.360 1043 HB3 TYR 37 HB3 TYR 37 -9.148 17.427 7.966 1044 HD1 TYR 37 HD1 TYR 37 -6.832 17.528 7.646 1045 HD2 TYR 37 HD2 TYR 37 -9.246 15.027 5.090 1046 HE1 TYR 37 HE1 TYR 37 -4.774 16.416 6.782 1047 HE2 TYR 37 HE2 TYR 37 -7.201 13.936 4.239 1048 HH TYR 37 HH TYR 37 -4.914 13.822 4.315 1049 H GLN 38 H GLN 38 -10.171 15.768 9.663 1050 HA GLN 38 HA GLN 38 -9.464 12.941 9.290 1051 HB2 GLN 38 HB2 GLN 38 -9.937 14.517 11.835 1052 HB3 GLN 38 HB3 GLN 38 -9.321 12.860 11.748 1053 HG2 GLN 38 HG2 GLN 38 -7.973 15.383 10.760 1054 HG3 GLN 38 HG3 GLN 38 -7.441 14.325 12.076 1055 HE21 GLN 38 HE21 GLN 38 -6.345 15.201 9.196 1056 HE22 GLN 38 HE22 GLN 38 -5.736 13.662 8.625 1057 H LYS 39 H LYS 39 -12.379 14.590 10.664 1058 HA LYS 39 HA LYS 39 -13.803 12.269 11.458 1059 HB2 LYS 39 HB2 LYS 39 -14.611 15.006 10.480 1060 HB3 LYS 39 HB3 LYS 39 -15.835 13.758 10.592 1061 HG2 LYS 39 HG2 LYS 39 -15.417 13.409 12.949 1062 HG3 LYS 39 HG3 LYS 39 -14.118 14.605 12.990 1063 HD2 LYS 39 HD2 LYS 39 -15.678 16.386 12.335 1064 HD3 LYS 39 HD3 LYS 39 -16.977 15.219 12.061 1065 HE2 LYS 39 HE2 LYS 39 -16.987 14.618 14.448 1066 HE3 LYS 39 HE3 LYS 39 -15.688 15.776 14.765 1067 HZ1 LYS 39 HZ1 LYS 39 -18.386 16.481 13.714 1068 HZ2 LYS 39 HZ2 LYS 39 -17.199 17.556 14.025 1069 HZ3 LYS 39 HZ3 LYS 39 -17.892 16.721 15.248 1070 H TRP 40 H TRP 40 -13.470 13.634 8.202 1071 HA TRP 40 HA TRP 40 -15.271 12.265 6.649 1072 HB2 TRP 40 HB2 TRP 40 -13.250 13.989 6.164 1073 HB3 TRP 40 HB3 TRP 40 -12.454 12.554 5.603 1074 HD1 TRP 40 HD1 TRP 40 -13.763 11.312 3.474 1075 HE1 TRP 40 HE1 TRP 40 -15.195 12.317 1.589 1076 HE3 TRP 40 HE3 TRP 40 -14.633 15.962 5.479 1077 HZ2 TRP 40 HZ2 TRP 40 -16.584 14.785 1.048 1078 HZ3 TRP 40 HZ3 TRP 40 -16.032 17.603 4.265 1079 HH2 TRP 40 HH2 TRP 40 -17.046 17.016 2.075 1080 H ARG 41 H ARG 41 -12.412 10.857 8.085 1081 HA ARG 41 HA ARG 41 -12.859 8.282 6.638 1082 HB2 ARG 41 HB2 ARG 41 -10.836 9.681 5.931 1083 HB3 ARG 41 HB3 ARG 41 -10.202 9.473 7.557 1084 HG2 ARG 41 HG2 ARG 41 -9.165 7.890 6.020 1085 HG3 ARG 41 HG3 ARG 41 -10.110 7.024 7.230 1086 HD2 ARG 41 HD2 ARG 41 -10.400 6.036 4.997 1087 HD3 ARG 41 HD3 ARG 41 -11.927 6.674 5.609 1088 HE ARG 41 HE ARG 41 -10.276 8.421 3.829 1089 HH11 ARG 41 HH11 ARG 41 -13.171 6.421 3.940 1090 HH12 ARG 41 HH12 ARG 41 -13.805 7.188 2.508 1091 HH21 ARG 41 HH21 ARG 41 -11.035 9.241 2.152 1092 HH22 ARG 41 HH22 ARG 41 -12.597 8.785 1.460 1093 H LYS 42 H LYS 42 -11.799 9.809 9.674 1094 HA LYS 42 HA LYS 42 -11.591 7.335 11.186 1095 HB2 LYS 42 HB2 LYS 42 -11.979 10.197 12.150 1096 HB3 LYS 42 HB3 LYS 42 -11.506 8.829 13.144 1097 HG2 LYS 42 HG2 LYS 42 -9.837 10.101 10.930 1098 HG3 LYS 42 HG3 LYS 42 -9.605 10.222 12.661 1099 HD2 LYS 42 HD2 LYS 42 -8.017 8.677 12.180 1100 HD3 LYS 42 HD3 LYS 42 -9.360 7.588 12.544 1101 HE2 LYS 42 HE2 LYS 42 -9.818 7.429 10.062 1102 HE3 LYS 42 HE3 LYS 42 -8.452 8.508 9.758 1103 HZ1 LYS 42 HZ1 LYS 42 -8.256 5.838 11.062 1104 HZ2 LYS 42 HZ2 LYS 42 -6.995 6.839 10.781 1105 HZ3 LYS 42 HZ3 LYS 42 -7.804 6.175 9.531 1106 H SER 43 H SER 43 -14.355 9.391 10.412 1107 HA SER 43 HA SER 43 -16.095 7.341 11.696 1108 HB2 SER 43 HB2 SER 43 -15.681 9.106 13.360 1109 HB3 SER 43 HB3 SER 43 -16.305 10.316 12.235 1110 HG SER 43 HG SER 43 -17.721 8.101 13.363 1111 H GLN 44 H GLN 44 -15.677 9.686 9.136 1112 HA GLN 44 HA GLN 44 -16.565 9.851 7.143 1113 HB2 GLN 44 HB2 GLN 44 -16.554 7.186 7.667 1114 HB3 GLN 44 HB3 GLN 44 -18.233 7.402 7.180 1115 HG2 GLN 44 HG2 GLN 44 -15.675 7.906 5.619 1116 HG3 GLN 44 HG3 GLN 44 -16.911 6.718 5.293 1117 HE21 GLN 44 HE21 GLN 44 -15.896 10.017 4.714 1118 HE22 GLN 44 HE22 GLN 44 -17.253 10.417 3.637 1119 H LYS 45 H LYS 45 -18.132 10.921 9.495 1120 HA LYS 45 HA LYS 45 -20.795 11.355 8.295 1121 HB2 LYS 45 HB2 LYS 45 -21.239 12.844 10.111 1122 HB3 LYS 45 HB3 LYS 45 -20.597 11.331 10.714 1123 HG2 LYS 45 HG2 LYS 45 -18.480 13.379 10.290 1124 HG3 LYS 45 HG3 LYS 45 -19.749 13.945 11.366 1125 HD2 LYS 45 HD2 LYS 45 -18.287 11.307 11.718 1126 HD3 LYS 45 HD3 LYS 45 -17.801 12.818 12.498 1127 HE2 LYS 45 HE2 LYS 45 -19.989 12.964 13.643 1128 HE3 LYS 45 HE3 LYS 45 -20.519 11.474 12.849 1129 HZ1 LYS 45 HZ1 LYS 45 -19.670 11.020 15.081 1130 HZ2 LYS 45 HZ2 LYS 45 -18.204 11.667 14.701 1131 HZ3 LYS 45 HZ3 LYS 45 -18.703 10.306 13.959 1132 H GLU 46 H GLU 46 -17.737 12.709 7.855 1133 HA GLU 46 HA GLU 46 -16.857 14.252 6.494 1134 HB2 GLU 46 HB2 GLU 46 -19.573 14.360 5.164 1135 HB3 GLU 46 HB3 GLU 46 -18.045 14.941 4.502 1136 HG2 GLU 46 HG2 GLU 46 -17.110 12.624 4.706 1137 HG3 GLU 46 HG3 GLU 46 -18.689 12.051 5.233 1138 H GLU 47 H GLU 47 -20.052 15.638 7.469 1139 HA GLU 47 HA GLU 47 -18.702 18.009 8.557 1140 HB2 GLU 47 HB2 GLU 47 -18.818 18.544 6.157 1141 HB3 GLU 47 HB3 GLU 47 -20.567 18.309 6.170 1142 HG2 GLU 47 HG2 GLU 47 -20.845 20.200 7.717 1143 HG3 GLU 47 HG3 GLU 47 -19.093 20.370 7.859 1144 H1 GLY 1 H1 GLY 1 2.534 38.002 29.417 1145 H2 GLY 1 H2 GLY 1 2.458 39.395 28.555 1146 H3 GLY 1 H3 GLY 1 1.182 38.358 28.561 1147 HA2 GLY 1 HA2 GLY 1 0.798 38.740 30.906 1148 HA3 GLY 1 HA3 GLY 1 2.178 39.851 30.905 1149 H SER 2 H SER 2 -1.175 39.414 30.066 1150 HA SER 2 HA SER 2 -1.564 42.328 29.777 1151 HB2 SER 2 HB2 SER 2 -0.994 41.397 27.473 1152 HB3 SER 2 HB3 SER 2 -2.483 40.446 27.577 1153 HG SER 2 HG SER 2 -2.124 43.250 27.405 1154 H HIS 3 H HIS 3 -3.984 42.801 29.422 1155 HA HIS 3 HA HIS 3 -5.574 41.313 31.402 1156 HB2 HIS 3 HB2 HIS 3 -7.270 43.054 30.961 1157 HB3 HIS 3 HB3 HIS 3 -5.722 43.678 31.493 1158 HD1 HIS 3 HD1 HIS 3 -7.485 43.227 28.038 1159 HD2 HIS 3 HD2 HIS 3 -4.758 45.656 30.123 1160 HE1 HIS 3 HE1 HIS 3 -6.897 45.147 26.465 1161 H MET 4 H MET 4 -7.377 40.091 31.008 1162 HA MET 4 HA MET 4 -8.493 38.405 30.012 1163 HB2 MET 4 HB2 MET 4 -8.873 40.316 27.681 1164 HB3 MET 4 HB3 MET 4 -9.849 38.906 28.091 1165 HG2 MET 4 HG2 MET 4 -11.164 40.518 28.987 1166 HG3 MET 4 HG3 MET 4 -10.189 40.121 30.398 1167 HE1 MET 4 HE1 MET 4 -11.831 42.649 30.590 1168 HE2 MET 4 HE2 MET 4 -10.562 42.247 31.772 1169 HE3 MET 4 HE3 MET 4 -10.646 43.882 31.082 1170 H GLU 5 H GLU 5 -5.671 38.226 29.660 1171 HA GLU 5 HA GLU 5 -4.993 37.382 26.992 1172 HB2 GLU 5 HB2 GLU 5 -3.465 38.369 28.671 1173 HB3 GLU 5 HB3 GLU 5 -3.594 36.874 29.621 1174 HG2 GLU 5 HG2 GLU 5 -2.403 35.626 27.942 1175 HG3 GLU 5 HG3 GLU 5 -2.550 36.950 26.774 1176 H TYR 6 H TYR 6 -4.223 35.311 26.355 1177 HA TYR 6 HA TYR 6 -6.099 33.192 26.912 1178 HB2 TYR 6 HB2 TYR 6 -4.058 33.886 24.858 1179 HB3 TYR 6 HB3 TYR 6 -4.424 32.182 25.024 1180 HD1 TYR 6 HD1 TYR 6 -6.174 31.284 23.892 1181 HD2 TYR 6 HD2 TYR 6 -6.319 35.459 24.906 1182 HE1 TYR 6 HE1 TYR 6 -8.336 31.478 22.700 1183 HE2 TYR 6 HE2 TYR 6 -8.501 35.671 23.706 1184 HH TYR 6 HH TYR 6 -10.090 34.591 22.427 1185 H ASP 7 H ASP 7 -4.546 33.642 29.195 1186 HA ASP 7 HA ASP 7 -2.770 31.331 29.537 1187 HB2 ASP 7 HB2 ASP 7 -2.502 33.616 30.641 1188 HB3 ASP 7 HB3 ASP 7 -3.885 33.208 31.653 1189 H GLY 8 H GLY 8 -5.776 31.029 28.834 1190 HA2 GLY 8 HA2 GLY 8 -6.406 28.617 29.965 1191 HA3 GLY 8 HA3 GLY 8 -6.940 29.735 31.218 1192 H GLN 9 H GLN 9 -7.912 31.831 29.431 1193 HA GLN 9 HA GLN 9 -10.511 30.740 28.740 1194 HB2 GLN 9 HB2 GLN 9 -10.266 32.959 29.666 1195 HB3 GLN 9 HB3 GLN 9 -9.292 33.495 28.305 1196 HG2 GLN 9 HG2 GLN 9 -12.066 32.366 27.789 1197 HG3 GLN 9 HG3 GLN 9 -11.935 33.966 28.500 1198 HE21 GLN 9 HE21 GLN 9 -12.810 32.932 25.696 1199 HE22 GLN 9 HE22 GLN 9 -11.910 34.011 24.637 1200 H LEU 10 H LEU 10 -11.448 30.465 26.755 1201 HA LEU 10 HA LEU 10 -9.954 30.841 24.251 1202 HB2 LEU 10 HB2 LEU 10 -9.431 28.585 25.185 1203 HB3 LEU 10 HB3 LEU 10 -11.140 28.169 25.113 1204 HG LEU 10 HG LEU 10 -9.588 27.164 23.526 1205 HD11 LEU 10 HD11 LEU 10 -11.457 28.664 21.775 1206 HD12 LEU 10 HD12 LEU 10 -12.077 27.589 23.046 1207 HD13 LEU 10 HD13 LEU 10 -10.987 26.945 21.816 1208 HD21 LEU 10 HD21 LEU 10 -8.344 28.339 21.960 1209 HD22 LEU 10 HD22 LEU 10 -8.333 29.427 23.283 1210 HD23 LEU 10 HD23 LEU 10 -9.455 29.723 21.936 1211 H ASP 11 H ASP 11 -11.317 31.050 22.448 1212 HA ASP 11 HA ASP 11 -13.940 32.039 22.928 1213 HB2 ASP 11 HB2 ASP 11 -12.126 32.217 20.866 1214 HB3 ASP 11 HB3 ASP 11 -13.242 31.000 20.243 1215 H SER 12 H SER 12 -15.975 31.109 22.735 1216 HA SER 12 HA SER 12 -16.271 28.325 23.249 1217 HB2 SER 12 HB2 SER 12 -18.642 28.755 23.033 1218 HB3 SER 12 HB3 SER 12 -17.834 30.087 23.898 1219 HG SER 12 HG SER 12 -19.333 30.853 22.329 1220 H GLU 13 H GLU 13 -16.257 30.055 20.244 1221 HA GLU 13 HA GLU 13 -17.320 28.055 18.514 1222 HB2 GLU 13 HB2 GLU 13 -15.469 30.433 18.103 1223 HB3 GLU 13 HB3 GLU 13 -16.044 29.458 16.767 1224 HG2 GLU 13 HG2 GLU 13 -17.901 30.900 18.710 1225 HG3 GLU 13 HG3 GLU 13 -17.293 31.625 17.227 1226 H TRP 14 H TRP 14 -14.058 28.456 19.782 1227 HA TRP 14 HA TRP 14 -13.114 26.286 17.989 1228 HB2 TRP 14 HB2 TRP 14 -11.175 27.603 19.777 1229 HB3 TRP 14 HB3 TRP 14 -10.999 27.023 18.132 1230 HD1 TRP 14 HD1 TRP 14 -10.801 30.071 19.927 1231 HE1 TRP 14 HE1 TRP 14 -11.473 32.145 18.554 1232 HE3 TRP 14 HE3 TRP 14 -12.969 27.776 15.882 1233 HZ2 TRP 14 HZ2 TRP 14 -12.901 32.745 16.119 1234 HZ3 TRP 14 HZ3 TRP 14 -13.964 29.118 14.044 1235 HH2 TRP 14 HH2 TRP 14 -13.957 31.603 14.161 1236 H GLU 15 H GLU 15 -13.670 26.958 21.375 1237 HA GLU 15 HA GLU 15 -12.671 24.605 22.581 1238 HB2 GLU 15 HB2 GLU 15 -13.553 26.236 24.041 1239 HB3 GLU 15 HB3 GLU 15 -15.017 26.453 23.072 1240 HG2 GLU 15 HG2 GLU 15 -15.864 24.275 23.779 1241 HG3 GLU 15 HG3 GLU 15 -14.419 24.009 24.772 1242 H LYS 16 H LYS 16 -15.793 25.224 20.974 1243 HA LYS 16 HA LYS 16 -16.796 22.557 21.388 1244 HB2 LYS 16 HB2 LYS 16 -18.602 23.097 19.899 1245 HB3 LYS 16 HB3 LYS 16 -18.262 24.414 21.009 1246 HG2 LYS 16 HG2 LYS 16 -18.525 25.665 19.175 1247 HG3 LYS 16 HG3 LYS 16 -16.809 25.325 18.983 1248 HD2 LYS 16 HD2 LYS 16 -17.399 23.413 17.448 1249 HD3 LYS 16 HD3 LYS 16 -19.103 23.771 17.656 1250 HE2 LYS 16 HE2 LYS 16 -17.081 25.702 16.425 1251 HE3 LYS 16 HE3 LYS 16 -18.051 24.548 15.513 1252 HZ1 LYS 16 HZ1 LYS 16 -20.047 25.706 16.594 1253 HZ2 LYS 16 HZ2 LYS 16 -19.254 26.520 15.422 1254 HZ3 LYS 16 HZ3 LYS 16 -19.016 26.947 16.948 1255 H LEU 17 H LEU 17 -14.803 23.841 18.810 1256 HA LEU 17 HA LEU 17 -14.958 21.560 17.033 1257 HB2 LEU 17 HB2 LEU 17 -12.832 23.711 17.360 1258 HB3 LEU 17 HB3 LEU 17 -12.893 22.603 16.013 1259 HG LEU 17 HG LEU 17 -15.187 24.488 16.650 1260 HD11 LEU 17 HD11 LEU 17 -12.869 25.573 16.127 1261 HD12 LEU 17 HD12 LEU 17 -14.297 26.077 15.202 1262 HD13 LEU 17 HD13 LEU 17 -13.129 24.952 14.488 1263 HD21 LEU 17 HD21 LEU 17 -14.407 22.952 14.177 1264 HD22 LEU 17 HD22 LEU 17 -15.740 24.129 14.275 1265 HD23 LEU 17 HD23 LEU 17 -15.816 22.623 15.211 1266 H VAL 18 H VAL 18 -12.533 22.508 19.562 1267 HA VAL 18 HA VAL 18 -10.976 20.105 19.119 1268 HB VAL 18 HB VAL 18 -9.991 22.019 20.201 1269 HG11 VAL 18 HG11 VAL 18 -11.957 21.508 22.468 1270 HG12 VAL 18 HG12 VAL 18 -10.434 22.408 22.666 1271 HG13 VAL 18 HG13 VAL 18 -11.677 22.968 21.526 1272 HG21 VAL 18 HG21 VAL 18 -10.038 19.584 22.045 1273 HG22 VAL 18 HG22 VAL 18 -9.037 19.803 20.603 1274 HG23 VAL 18 HG23 VAL 18 -8.840 20.894 21.993 1275 H ARG 19 H ARG 19 -13.638 20.776 21.452 1276 HA ARG 19 HA ARG 19 -13.509 18.179 22.724 1277 HB2 ARG 19 HB2 ARG 19 -15.794 20.161 22.320 1278 HB3 ARG 19 HB3 ARG 19 -15.895 18.674 23.326 1279 HG2 ARG 19 HG2 ARG 19 -13.962 19.629 24.636 1280 HG3 ARG 19 HG3 ARG 19 -14.197 21.161 23.840 1281 HD2 ARG 19 HD2 ARG 19 -16.415 19.712 25.365 1282 HD3 ARG 19 HD3 ARG 19 -15.204 20.699 26.161 1283 HE ARG 19 HE ARG 19 -16.193 22.637 25.405 1284 HH11 ARG 19 HH11 ARG 19 -17.904 23.822 24.945 1285 HH12 ARG 19 HH12 ARG 19 -19.226 23.171 23.992 1286 HH21 ARG 19 HH21 ARG 19 -19.203 21.044 23.356 1287 HH22 ARG 19 HH22 ARG 19 -17.860 20.018 23.768 1288 H ASP 20 H ASP 20 -15.324 19.331 19.910 1289 HA ASP 20 HA ASP 20 -16.695 16.947 19.189 1290 HB2 ASP 20 HB2 ASP 20 -15.665 19.407 17.792 1291 HB3 ASP 20 HB3 ASP 20 -16.205 18.078 16.799 1292 H ALA 21 H ALA 21 -13.351 18.000 18.244 1293 HA ALA 21 HA ALA 21 -12.832 15.663 16.655 1294 HB1 ALA 21 HB1 ALA 21 -10.913 17.444 18.214 1295 HB2 ALA 21 HB2 ALA 21 -10.468 16.286 16.948 1296 HB3 ALA 21 HB3 ALA 21 -11.472 17.685 16.541 1297 H MET 22 H MET 22 -12.197 16.319 20.153 1298 HA MET 22 HA MET 22 -11.013 13.809 20.686 1299 HB2 MET 22 HB2 MET 22 -12.700 15.416 22.613 1300 HB3 MET 22 HB3 MET 22 -11.589 14.099 22.982 1301 HG2 MET 22 HG2 MET 22 -11.020 16.927 22.656 1302 HG3 MET 22 HG3 MET 22 -10.176 15.712 23.488 1303 HE1 MET 22 HE1 MET 22 -8.883 13.655 21.013 1304 HE2 MET 22 HE2 MET 22 -7.384 14.572 21.290 1305 HE3 MET 22 HE3 MET 22 -8.476 14.220 22.648 1306 H THR 23 H THR 23 -14.522 14.675 20.722 1307 HA THR 23 HA THR 23 -15.311 12.012 21.582 1308 HB THR 23 HB THR 23 -17.617 12.748 21.153 1309 HG1 THR 23 HG1 THR 23 -17.403 14.153 19.463 1310 HG21 THR 23 HG21 THR 23 -15.942 14.751 22.711 1311 HG22 THR 23 HG22 THR 23 -16.593 13.216 23.315 1312 HG23 THR 23 HG23 THR 23 -17.699 14.521 22.844 1313 H SER 24 H SER 24 -15.019 13.503 18.347 1314 HA SER 24 HA SER 24 -16.399 11.255 17.103 1315 HB2 SER 24 HB2 SER 24 -16.341 13.672 16.302 1316 HB3 SER 24 HB3 SER 24 -14.767 13.258 15.572 1317 HG SER 24 HG SER 24 -15.784 11.552 14.502 1318 H GLY 25 H GLY 25 -13.504 11.131 18.548 1319 HA2 GLY 25 HA2 GLY 25 -11.829 9.547 18.474 1320 HA3 GLY 25 HA3 GLY 25 -12.672 8.746 17.144 1321 H VAL 26 H VAL 26 -11.734 12.114 16.853 1322 HA VAL 26 HA VAL 26 -10.104 11.648 14.491 1323 HB VAL 26 HB VAL 26 -10.802 14.070 16.151 1324 HG11 VAL 26 HG11 VAL 26 -9.871 15.451 14.260 1325 HG12 VAL 26 HG12 VAL 26 -8.707 14.774 15.414 1326 HG13 VAL 26 HG13 VAL 26 -8.911 14.017 13.829 1327 HG21 VAL 26 HG21 VAL 26 -12.029 14.666 14.054 1328 HG22 VAL 26 HG22 VAL 26 -11.473 13.158 13.312 1329 HG23 VAL 26 HG23 VAL 26 -12.570 13.117 14.705 1330 H SER 27 H SER 27 -7.902 11.905 14.213 1331 HA SER 27 HA SER 27 -6.229 10.784 16.135 1332 HB2 SER 27 HB2 SER 27 -5.494 12.552 13.796 1333 HB3 SER 27 HB3 SER 27 -4.355 11.525 14.690 1334 HG SER 27 HG SER 27 -5.493 9.709 13.980 1335 H LYS 28 H LYS 28 -5.821 11.600 18.078 1336 HA LYS 28 HA LYS 28 -5.958 14.304 18.811 1337 HB2 LYS 28 HB2 LYS 28 -5.125 13.618 20.966 1338 HB3 LYS 28 HB3 LYS 28 -6.241 12.406 20.347 1339 HG2 LYS 28 HG2 LYS 28 -4.259 11.003 19.647 1340 HG3 LYS 28 HG3 LYS 28 -3.193 12.205 20.400 1341 HD2 LYS 28 HD2 LYS 28 -4.299 11.811 22.588 1342 HD3 LYS 28 HD3 LYS 28 -5.355 10.597 21.832 1343 HE2 LYS 28 HE2 LYS 28 -3.357 9.267 21.184 1344 HE3 LYS 28 HE3 LYS 28 -2.304 10.479 21.925 1345 HZ1 LYS 28 HZ1 LYS 28 -4.315 8.849 23.390 1346 HZ2 LYS 28 HZ2 LYS 28 -3.340 9.970 24.075 1347 HZ3 LYS 28 HZ3 LYS 28 -2.701 8.616 23.428 1348 H LYS 29 H LYS 29 -3.103 12.536 17.638 1349 HA LYS 29 HA LYS 29 -1.172 14.569 18.290 1350 HB2 LYS 29 HB2 LYS 29 0.275 13.343 16.793 1351 HB3 LYS 29 HB3 LYS 29 -0.597 12.233 17.856 1352 HG2 LYS 29 HG2 LYS 29 -2.245 12.333 15.608 1353 HG3 LYS 29 HG3 LYS 29 -0.657 12.588 14.897 1354 HD2 LYS 29 HD2 LYS 29 -1.507 10.301 16.729 1355 HD3 LYS 29 HD3 LYS 29 -1.366 10.190 14.964 1356 HE2 LYS 29 HE2 LYS 29 1.066 10.703 15.112 1357 HE3 LYS 29 HE3 LYS 29 0.946 10.792 16.872 1358 HZ1 LYS 29 HZ1 LYS 29 0.270 8.447 16.882 1359 HZ2 LYS 29 HZ2 LYS 29 1.723 8.610 16.161 1360 HZ3 LYS 29 HZ3 LYS 29 0.390 8.361 15.253 1361 H GLN 30 H GLN 30 -3.353 14.114 15.525 1362 HA GLN 30 HA GLN 30 -1.996 15.929 13.788 1363 HB2 GLN 30 HB2 GLN 30 -4.927 15.093 13.883 1364 HB3 GLN 30 HB3 GLN 30 -4.191 16.114 12.654 1365 HG2 GLN 30 HG2 GLN 30 -3.412 13.250 13.201 1366 HG3 GLN 30 HG3 GLN 30 -4.472 13.826 11.895 1367 HE21 GLN 30 HE21 GLN 30 -2.054 12.276 11.489 1368 HE22 GLN 30 HE22 GLN 30 -0.952 13.335 10.621 1369 H PHE 31 H PHE 31 -4.341 16.534 16.396 1370 HA PHE 31 HA PHE 31 -4.805 19.322 15.740 1371 HB2 PHE 31 HB2 PHE 31 -5.234 17.565 18.081 1372 HB3 PHE 31 HB3 PHE 31 -4.955 19.267 18.439 1373 HD1 PHE 31 HD1 PHE 31 -6.871 17.345 15.762 1374 HD2 PHE 31 HD2 PHE 31 -6.803 20.647 18.533 1375 HE1 PHE 31 HE1 PHE 31 -9.168 17.953 15.085 1376 HE2 PHE 31 HE2 PHE 31 -9.150 21.205 17.891 1377 HZ PHE 31 HZ PHE 31 -10.313 19.890 16.155 1378 H ARG 32 H ARG 32 -2.194 17.840 17.702 1379 HA ARG 32 HA ARG 32 -0.813 20.351 18.042 1380 HB2 ARG 32 HB2 ARG 32 -0.323 18.522 19.546 1381 HB3 ARG 32 HB3 ARG 32 0.099 17.458 18.213 1382 HG2 ARG 32 HG2 ARG 32 2.110 18.209 19.353 1383 HG3 ARG 32 HG3 ARG 32 2.079 18.750 17.691 1384 HD2 ARG 32 HD2 ARG 32 1.110 20.999 18.695 1385 HD3 ARG 32 HD3 ARG 32 1.774 20.426 20.215 1386 HE ARG 32 HE ARG 32 3.173 21.222 17.711 1387 HH11 ARG 32 HH11 ARG 32 6.295 21.032 18.899 1388 HH12 ARG 32 HH12 ARG 32 5.214 21.208 17.475 1389 HH21 ARG 32 HH21 ARG 32 3.838 20.168 21.046 1390 HH22 ARG 32 HH22 ARG 32 5.555 20.454 20.739 1391 H GLU 33 H GLU 33 -0.317 17.733 15.693 1392 HA GLU 33 HA GLU 33 1.774 19.117 14.344 1393 HB2 GLU 33 HB2 GLU 33 -0.057 17.049 13.117 1394 HB3 GLU 33 HB3 GLU 33 1.544 17.542 12.558 1395 HG2 GLU 33 HG2 GLU 33 0.842 15.834 14.907 1396 HG3 GLU 33 HG3 GLU 33 1.903 15.476 13.566 1397 H PHE 34 H PHE 34 -1.767 19.278 13.617 1398 HA PHE 34 HA PHE 34 -1.284 20.987 11.360 1399 HB2 PHE 34 HB2 PHE 34 -3.394 20.853 10.817 1400 HB3 PHE 34 HB3 PHE 34 -3.406 19.487 11.900 1401 HD1 PHE 34 HD1 PHE 34 -5.113 19.370 13.490 1402 HD2 PHE 34 HD2 PHE 34 -4.167 23.201 11.753 1403 HE1 PHE 34 HE1 PHE 34 -6.933 20.423 14.802 1404 HE2 PHE 34 HE2 PHE 34 -5.975 24.244 13.088 1405 HZ PHE 34 HZ PHE 34 -7.315 22.848 14.665 1406 H LEU 35 H LEU 35 -1.854 21.616 14.847 1407 HA LEU 35 HA LEU 35 -1.963 24.446 14.660 1408 HB2 LEU 35 HB2 LEU 35 -1.678 22.550 16.772 1409 HB3 LEU 35 HB3 LEU 35 -0.219 23.502 16.857 1410 HG LEU 35 HG LEU 35 -1.869 24.427 18.315 1411 HD11 LEU 35 HD11 LEU 35 -0.459 26.005 16.920 1412 HD12 LEU 35 HD12 LEU 35 -1.907 26.671 17.674 1413 HD13 LEU 35 HD13 LEU 35 -1.910 26.287 15.940 1414 HD21 LEU 35 HD21 LEU 35 -3.814 23.381 17.191 1415 HD22 LEU 35 HD22 LEU 35 -3.747 24.633 15.940 1416 HD23 LEU 35 HD23 LEU 35 -4.073 25.068 17.635 1417 H ASP 36 H ASP 36 0.922 22.310 14.879 1418 HA ASP 36 HA ASP 36 2.865 24.338 14.420 1419 HB2 ASP 36 HB2 ASP 36 3.015 21.400 13.673 1420 HB3 ASP 36 HB3 ASP 36 4.362 22.529 13.697 1421 H TYR 37 H TYR 37 1.084 22.315 12.038 1422 HA TYR 37 HA TYR 37 2.398 23.119 9.710 1423 HB2 TYR 37 HB2 TYR 37 0.743 21.277 9.877 1424 HB3 TYR 37 HB3 TYR 37 -0.529 22.465 10.135 1425 HD1 TYR 37 HD1 TYR 37 -2.005 22.020 8.374 1426 HD2 TYR 37 HD2 TYR 37 2.187 22.641 7.576 1427 HE1 TYR 37 HE1 TYR 37 -2.485 22.142 5.931 1428 HE2 TYR 37 HE2 TYR 37 1.716 22.669 5.159 1429 HH TYR 37 HH TYR 37 -1.578 22.752 3.852 1430 H GLN 38 H GLN 38 -0.511 24.667 11.193 1431 HA GLN 38 HA GLN 38 -0.551 26.817 9.224 1432 HB2 GLN 38 HB2 GLN 38 -1.822 26.587 11.977 1433 HB3 GLN 38 HB3 GLN 38 -2.147 27.890 10.847 1434 HG2 GLN 38 HG2 GLN 38 -2.939 24.973 10.681 1435 HG3 GLN 38 HG3 GLN 38 -3.974 26.395 10.597 1436 HE21 GLN 38 HE21 GLN 38 -3.272 24.744 7.175 1437 HE22 GLN 38 HE22 GLN 38 -3.553 23.976 8.727 1438 H LYS 39 H LYS 39 0.756 26.561 12.559 1439 HA LYS 39 HA LYS 39 1.793 29.196 12.841 1440 HB2 LYS 39 HB2 LYS 39 2.652 26.471 13.841 1441 HB3 LYS 39 HB3 LYS 39 3.657 27.873 14.136 1442 HG2 LYS 39 HG2 LYS 39 2.086 28.944 15.475 1443 HG3 LYS 39 HG3 LYS 39 0.743 27.882 15.057 1444 HD2 LYS 39 HD2 LYS 39 1.755 26.014 16.186 1445 HD3 LYS 39 HD3 LYS 39 3.308 26.851 16.353 1446 HE2 LYS 39 HE2 LYS 39 2.298 28.462 17.922 1447 HE3 LYS 39 HE3 LYS 39 0.735 27.643 17.778 1448 HZ1 LYS 39 HZ1 LYS 39 3.256 26.422 18.806 1449 HZ2 LYS 39 HZ2 LYS 39 1.859 25.608 18.629 1450 HZ3 LYS 39 HZ3 LYS 39 1.956 26.807 19.734 1451 H TRP 40 H TRP 40 3.284 26.392 11.234 1452 HA TRP 40 HA TRP 40 5.788 27.197 10.653 1453 HB2 TRP 40 HB2 TRP 40 4.263 25.055 9.938 1454 HB3 TRP 40 HB3 TRP 40 4.335 25.840 8.395 1455 HD1 TRP 40 HD1 TRP 40 6.829 26.097 7.315 1456 HE1 TRP 40 HE1 TRP 40 8.979 24.717 7.633 1457 HE3 TRP 40 HE3 TRP 40 5.484 23.364 11.460 1458 HZ2 TRP 40 HZ2 TRP 40 10.010 22.769 9.473 1459 HZ3 TRP 40 HZ3 TRP 40 7.065 21.756 12.451 1460 HH2 TRP 40 HH2 TRP 40 9.332 21.442 11.477 1461 H ARG 41 H ARG 41 2.985 28.505 9.086 1462 HA ARG 41 HA ARG 41 4.671 30.115 7.202 1463 HB2 ARG 41 HB2 ARG 41 3.252 28.446 6.047 1464 HB3 ARG 41 HB3 ARG 41 1.825 29.096 6.852 1465 HG2 ARG 41 HG2 ARG 41 1.949 29.862 4.537 1466 HG3 ARG 41 HG3 ARG 41 2.076 31.230 5.639 1467 HD2 ARG 41 HD2 ARG 41 4.561 31.220 5.328 1468 HD3 ARG 41 HD3 ARG 41 4.410 29.880 4.196 1469 HE ARG 41 HE ARG 41 3.694 32.717 3.789 1470 HH11 ARG 41 HH11 ARG 41 3.466 29.491 2.343 1471 HH12 ARG 41 HH12 ARG 41 3.199 30.172 0.758 1472 HH21 ARG 41 HH21 ARG 41 3.326 33.453 1.747 1473 HH22 ARG 41 HH22 ARG 41 3.108 32.333 0.436 1474 H LYS 42 H LYS 42 1.747 30.195 9.284 1475 HA LYS 42 HA LYS 42 1.295 33.046 8.866 1476 HB2 LYS 42 HB2 LYS 42 0.106 30.881 10.594 1477 HB3 LYS 42 HB3 LYS 42 -0.089 32.529 11.137 1478 HG2 LYS 42 HG2 LYS 42 -1.969 31.793 9.759 1479 HG3 LYS 42 HG3 LYS 42 -1.138 33.234 9.177 1480 HD2 LYS 42 HD2 LYS 42 -1.721 31.995 7.239 1481 HD3 LYS 42 HD3 LYS 42 0.006 31.835 7.422 1482 HE2 LYS 42 HE2 LYS 42 -0.366 29.627 7.095 1483 HE3 LYS 42 HE3 LYS 42 -0.798 29.613 8.808 1484 HZ1 LYS 42 HZ1 LYS 42 -2.670 29.855 6.505 1485 HZ2 LYS 42 HZ2 LYS 42 -3.163 29.988 8.052 1486 HZ3 LYS 42 HZ3 LYS 42 -2.538 28.577 7.518 1487 H SER 43 H SER 43 2.945 31.282 11.403 1488 HA SER 43 HA SER 43 4.126 33.877 12.363 1489 HB2 SER 43 HB2 SER 43 4.155 32.987 14.604 1490 HB3 SER 43 HB3 SER 43 2.520 32.935 13.942 1491 HG SER 43 HG SER 43 2.944 31.003 14.936 1492 H GLN 44 H GLN 44 4.877 30.762 11.136 1493 HA GLN 44 HA GLN 44 6.675 29.790 10.451 1494 HB2 GLN 44 HB2 GLN 44 7.026 32.269 9.626 1495 HB3 GLN 44 HB3 GLN 44 8.488 32.152 10.611 1496 HG2 GLN 44 HG2 GLN 44 7.632 30.494 8.201 1497 HG3 GLN 44 HG3 GLN 44 8.993 31.587 8.311 1498 HE21 GLN 44 HE21 GLN 44 7.855 28.309 9.051 1499 HE22 GLN 44 HE22 GLN 44 9.448 27.704 9.499 1500 H LYS 45 H LYS 45 6.046 29.635 13.149 1501 HA LYS 45 HA LYS 45 8.659 28.781 14.340 1502 HB2 LYS 45 HB2 LYS 45 5.892 29.141 15.552 1503 HB3 LYS 45 HB3 LYS 45 7.293 28.513 16.424 1504 HG2 LYS 45 HG2 LYS 45 8.233 30.566 16.706 1505 HG3 LYS 45 HG3 LYS 45 7.879 31.061 15.049 1506 HD2 LYS 45 HD2 LYS 45 5.524 31.496 15.666 1507 HD3 LYS 45 HD3 LYS 45 5.868 31.060 17.336 1508 HE2 LYS 45 HE2 LYS 45 5.831 33.496 17.029 1509 HE3 LYS 45 HE3 LYS 45 7.418 32.944 17.566 1510 HZ1 LYS 45 HZ1 LYS 45 8.271 33.241 15.366 1511 HZ2 LYS 45 HZ2 LYS 45 7.446 34.605 15.701 1512 HZ3 LYS 45 HZ3 LYS 45 6.806 33.472 14.697 1513 H GLU 46 H GLU 46 9.163 26.700 14.467 1514 HA GLU 46 HA GLU 46 7.521 24.672 13.221 1515 HB2 GLU 46 HB2 GLU 46 10.023 24.302 14.931 1516 HB3 GLU 46 HB3 GLU 46 9.325 23.171 13.788 1517 HG2 GLU 46 HG2 GLU 46 10.953 23.974 12.456 1518 HG3 GLU 46 HG3 GLU 46 9.708 25.143 12.033 1519 H GLU 47 H GLU 47 7.698 25.902 16.411 1520 HA GLU 47 HA GLU 47 5.718 24.052 17.524 1521 HB2 GLU 47 HB2 GLU 47 7.699 22.824 18.082 1522 HB3 GLU 47 HB3 GLU 47 8.548 24.269 18.635 1523 HG2 GLU 47 HG2 GLU 47 7.228 24.443 20.613 1524 HG3 GLU 47 HG3 GLU 47 5.994 23.349 19.990 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 4.640 -1.192 -0.523 2 H2 GLY 1 H2 GLY 1 5.956 -1.621 -1.400 3 H3 GLY 1 H3 GLY 1 6.112 -0.593 -0.126 4 HA2 GLY 1 HA2 GLY 1 5.458 -2.333 1.420 5 HA3 GLY 1 HA3 GLY 1 5.300 -3.431 0.037 6 H SER 2 H SER 2 6.893 -4.889 0.519 7 HA SER 2 HA SER 2 9.468 -4.197 1.587 8 HB2 SER 2 HB2 SER 2 8.484 -6.844 0.470 9 HB3 SER 2 HB3 SER 2 9.882 -6.593 1.533 10 HG SER 2 HG SER 2 8.018 -7.246 2.699 11 H HIS 3 H HIS 3 9.506 -2.704 -0.619 12 HA HIS 3 HA HIS 3 11.693 -3.708 -2.287 13 HB2 HIS 3 HB2 HIS 3 10.458 -3.410 -4.410 14 HB3 HIS 3 HB3 HIS 3 9.764 -4.696 -3.439 15 HD1 HIS 3 HD1 HIS 3 8.941 -1.090 -4.576 16 HD2 HIS 3 HD2 HIS 3 7.260 -4.378 -2.548 17 HE1 HIS 3 HE1 HIS 3 6.478 -0.533 -4.226 18 H MET 4 H MET 4 12.272 -1.931 -3.964 19 HA MET 4 HA MET 4 12.345 0.716 -2.741 20 HB2 MET 4 HB2 MET 4 12.974 -0.151 -5.585 21 HB3 MET 4 HB3 MET 4 13.333 1.426 -4.886 22 HG2 MET 4 HG2 MET 4 14.520 -1.227 -3.960 23 HG3 MET 4 HG3 MET 4 15.289 -0.049 -5.008 24 HE1 MET 4 HE1 MET 4 13.664 -0.325 -1.303 25 HE2 MET 4 HE2 MET 4 15.075 -1.381 -1.535 26 HE3 MET 4 HE3 MET 4 15.175 0.013 -0.439 27 H GLU 5 H GLU 5 10.873 2.304 -2.865 28 HA GLU 5 HA GLU 5 8.390 1.805 -4.400 29 HB2 GLU 5 HB2 GLU 5 8.963 3.837 -2.215 30 HB3 GLU 5 HB3 GLU 5 7.392 3.470 -2.949 31 HG2 GLU 5 HG2 GLU 5 7.807 1.023 -2.213 32 HG3 GLU 5 HG3 GLU 5 9.071 1.678 -1.165 33 H TYR 6 H TYR 6 11.148 3.390 -5.202 34 HA TYR 6 HA TYR 6 9.774 4.976 -7.244 35 HB2 TYR 6 HB2 TYR 6 10.148 6.419 -5.094 36 HB3 TYR 6 HB3 TYR 6 11.846 6.394 -5.540 37 HD1 TYR 6 HD1 TYR 6 8.416 7.269 -6.686 38 HD2 TYR 6 HD2 TYR 6 12.637 7.919 -7.286 39 HE1 TYR 6 HE1 TYR 6 7.903 9.227 -8.111 40 HE2 TYR 6 HE2 TYR 6 12.121 9.749 -8.882 41 HH TYR 6 HH TYR 6 10.505 10.800 -10.047 42 H ASP 7 H ASP 7 11.077 5.461 -9.042 43 HA ASP 7 HA ASP 7 13.855 4.469 -9.153 44 HB2 ASP 7 HB2 ASP 7 12.324 2.492 -9.471 45 HB3 ASP 7 HB3 ASP 7 11.690 3.265 -10.921 46 H GLY 8 H GLY 8 13.204 7.071 -9.340 47 HA2 GLY 8 HA2 GLY 8 13.648 8.944 -10.614 48 HA3 GLY 8 HA3 GLY 8 14.259 7.885 -11.886 49 H GLN 9 H GLN 9 10.978 7.424 -10.835 50 HA GLN 9 HA GLN 9 9.751 8.837 -13.134 51 HB2 GLN 9 HB2 GLN 9 10.606 6.714 -14.025 52 HB3 GLN 9 HB3 GLN 9 9.861 5.828 -12.701 53 HG2 GLN 9 HG2 GLN 9 7.821 7.396 -14.125 54 HG3 GLN 9 HG3 GLN 9 8.755 6.443 -15.260 55 HE21 GLN 9 HE21 GLN 9 6.047 6.284 -13.198 56 HE22 GLN 9 HE22 GLN 9 5.973 4.530 -13.113 57 H LEU 10 H LEU 10 7.763 9.598 -12.542 58 HA LEU 10 HA LEU 10 6.761 8.959 -9.925 59 HB2 LEU 10 HB2 LEU 10 6.665 11.202 -11.179 60 HB3 LEU 10 HB3 LEU 10 5.244 10.571 -12.009 61 HG LEU 10 HG LEU 10 4.890 12.132 -10.140 62 HD11 LEU 10 HD11 LEU 10 3.659 9.567 -9.228 63 HD12 LEU 10 HD12 LEU 10 3.233 10.283 -10.789 64 HD13 LEU 10 HD13 LEU 10 3.000 11.221 -9.307 65 HD21 LEU 10 HD21 LEU 10 5.698 11.811 -8.031 66 HD22 LEU 10 HD22 LEU 10 6.869 10.874 -8.861 67 HD23 LEU 10 HD23 LEU 10 5.516 10.040 -8.089 68 H ASP 11 H ASP 11 5.300 7.656 -9.245 69 HA ASP 11 HA ASP 11 4.288 5.533 -10.853 70 HB2 ASP 11 HB2 ASP 11 4.849 5.834 -8.243 71 HB3 ASP 11 HB3 ASP 11 3.168 6.294 -8.170 72 H SER 12 H SER 12 2.253 5.204 -11.766 73 HA SER 12 HA SER 12 0.704 7.446 -12.538 74 HB2 SER 12 HB2 SER 12 0.758 5.466 -13.826 75 HB3 SER 12 HB3 SER 12 0.008 4.515 -12.521 76 HG SER 12 HG SER 12 -1.140 6.561 -14.132 77 H GLU 13 H GLU 13 0.417 5.395 -9.718 78 HA GLU 13 HA GLU 13 -2.142 6.144 -8.748 79 HB2 GLU 13 HB2 GLU 13 0.441 5.256 -7.402 80 HB3 GLU 13 HB3 GLU 13 -1.041 5.505 -6.500 81 HG2 GLU 13 HG2 GLU 13 -0.726 3.579 -8.843 82 HG3 GLU 13 HG3 GLU 13 -0.596 3.121 -7.148 83 H TRP 14 H TRP 14 0.913 7.938 -8.547 84 HA TRP 14 HA TRP 14 -0.424 9.929 -6.784 85 HB2 TRP 14 HB2 TRP 14 2.446 10.244 -7.430 86 HB3 TRP 14 HB3 TRP 14 1.550 10.605 -5.962 87 HD1 TRP 14 HD1 TRP 14 4.139 8.447 -7.050 88 HE1 TRP 14 HE1 TRP 14 4.231 6.167 -5.842 89 HE3 TRP 14 HE3 TRP 14 -0.303 8.657 -4.523 90 HZ2 TRP 14 HZ2 TRP 14 2.598 4.642 -4.029 91 HZ3 TRP 14 HZ3 TRP 14 -0.995 6.803 -3.018 92 HH2 TRP 14 HH2 TRP 14 0.437 4.784 -2.776 93 H GLU 15 H GLU 15 0.976 9.578 -9.967 94 HA GLU 15 HA GLU 15 0.814 12.207 -10.995 95 HB2 GLU 15 HB2 GLU 15 1.781 10.516 -12.365 96 HB3 GLU 15 HB3 GLU 15 0.420 9.419 -12.134 97 HG2 GLU 15 HG2 GLU 15 -0.972 10.632 -13.595 98 HG3 GLU 15 HG3 GLU 15 0.143 12.015 -13.654 99 H LYS 16 H LYS 16 -1.679 9.681 -10.739 100 HA LYS 16 HA LYS 16 -3.787 11.297 -11.916 101 HB2 LYS 16 HB2 LYS 16 -5.348 9.625 -11.208 102 HB3 LYS 16 HB3 LYS 16 -3.909 8.907 -11.921 103 HG2 LYS 16 HG2 LYS 16 -3.997 7.512 -10.212 104 HG3 LYS 16 HG3 LYS 16 -3.179 8.795 -9.328 105 HD2 LYS 16 HD2 LYS 16 -5.343 9.601 -8.439 106 HD3 LYS 16 HD3 LYS 16 -6.216 8.384 -9.374 107 HE2 LYS 16 HE2 LYS 16 -4.104 7.732 -7.275 108 HE3 LYS 16 HE3 LYS 16 -5.825 7.817 -6.910 109 HZ1 LYS 16 HZ1 LYS 16 -4.765 5.542 -7.535 110 HZ2 LYS 16 HZ2 LYS 16 -4.871 6.043 -9.067 111 HZ3 LYS 16 HZ3 LYS 16 -6.239 5.912 -8.182 112 H LEU 17 H LEU 17 -2.715 11.035 -8.581 113 HA LEU 17 HA LEU 17 -4.903 12.500 -7.391 114 HB2 LEU 17 HB2 LEU 17 -2.021 12.143 -6.482 115 HB3 LEU 17 HB3 LEU 17 -3.296 12.770 -5.467 116 HG LEU 17 HG LEU 17 -3.443 10.003 -6.710 117 HD11 LEU 17 HD11 LEU 17 -2.507 9.087 -4.791 118 HD12 LEU 17 HD12 LEU 17 -2.689 10.576 -3.844 119 HD13 LEU 17 HD13 LEU 17 -1.442 10.475 -5.105 120 HD21 LEU 17 HD21 LEU 17 -5.600 10.836 -5.976 121 HD22 LEU 17 HD22 LEU 17 -4.882 11.323 -4.419 122 HD23 LEU 17 HD23 LEU 17 -5.005 9.597 -4.853 123 H VAL 18 H VAL 18 -1.595 13.548 -8.455 124 HA VAL 18 HA VAL 18 -2.150 16.305 -7.772 125 HB VAL 18 HB VAL 18 0.118 15.508 -7.960 126 HG11 VAL 18 HG11 VAL 18 -0.500 15.118 -10.909 127 HG12 VAL 18 HG12 VAL 18 1.146 15.380 -10.289 128 HG13 VAL 18 HG13 VAL 18 0.160 13.988 -9.747 129 HG21 VAL 18 HG21 VAL 18 -0.359 17.902 -8.218 130 HG22 VAL 18 HG22 VAL 18 1.061 17.381 -9.148 131 HG23 VAL 18 HG23 VAL 18 -0.474 17.729 -9.977 132 H ARG 19 H ARG 19 -2.500 14.572 -10.921 133 HA ARG 19 HA ARG 19 -3.330 16.914 -12.380 134 HB2 ARG 19 HB2 ARG 19 -3.903 13.963 -12.801 135 HB3 ARG 19 HB3 ARG 19 -4.283 15.266 -13.978 136 HG2 ARG 19 HG2 ARG 19 -1.859 15.824 -14.019 137 HG3 ARG 19 HG3 ARG 19 -1.492 14.446 -13.029 138 HD2 ARG 19 HD2 ARG 19 -2.772 14.451 -15.784 139 HD3 ARG 19 HD3 ARG 19 -1.081 14.091 -15.384 140 HE ARG 19 HE ARG 19 -2.542 12.289 -13.863 141 HH11 ARG 19 HH11 ARG 19 -2.373 12.894 -17.310 142 HH12 ARG 19 HH12 ARG 19 -2.886 11.281 -17.718 143 HH21 ARG 19 HH21 ARG 19 -3.209 10.226 -14.467 144 HH22 ARG 19 HH22 ARG 19 -3.331 9.823 -16.150 145 H ASP 20 H ASP 20 -5.178 14.532 -10.530 146 HA ASP 20 HA ASP 20 -7.809 15.572 -10.968 147 HB2 ASP 20 HB2 ASP 20 -6.390 13.961 -8.873 148 HB3 ASP 20 HB3 ASP 20 -7.884 14.738 -8.387 149 H ALA 21 H ALA 21 -5.351 16.481 -8.458 150 HA ALA 21 HA ALA 21 -7.026 18.447 -7.216 151 HB1 ALA 21 HB1 ALA 21 -4.935 19.290 -6.255 152 HB2 ALA 21 HB2 ALA 21 -4.985 17.513 -6.191 153 HB3 ALA 21 HB3 ALA 21 -3.989 18.353 -7.418 154 H MET 22 H MET 22 -4.666 18.718 -9.893 155 HA MET 22 HA MET 22 -4.908 21.487 -10.343 156 HB2 MET 22 HB2 MET 22 -4.130 19.123 -12.034 157 HB3 MET 22 HB3 MET 22 -4.499 20.644 -12.838 158 HG2 MET 22 HG2 MET 22 -2.421 20.504 -10.668 159 HG3 MET 22 HG3 MET 22 -2.102 20.214 -12.363 160 HE1 MET 22 HE1 MET 22 -1.896 22.528 -9.764 161 HE2 MET 22 HE2 MET 22 -2.272 24.160 -10.363 162 HE3 MET 22 HE3 MET 22 -3.594 23.049 -9.917 163 H THR 23 H THR 23 -6.817 18.810 -11.899 164 HA THR 23 HA THR 23 -8.429 20.697 -13.390 165 HB THR 23 HB THR 23 -9.725 18.750 -14.125 166 HG1 THR 23 HG1 THR 23 -9.711 17.387 -12.416 167 HG21 THR 23 HG21 THR 23 -7.929 17.578 -15.304 168 HG22 THR 23 HG22 THR 23 -6.716 18.308 -14.233 169 HG23 THR 23 HG23 THR 23 -7.676 19.332 -15.318 170 H SER 24 H SER 24 -8.994 19.029 -10.290 171 HA SER 24 HA SER 24 -11.793 19.844 -10.278 172 HB2 SER 24 HB2 SER 24 -10.952 17.710 -9.276 173 HB3 SER 24 HB3 SER 24 -10.290 18.675 -7.940 174 HG SER 24 HG SER 24 -12.401 19.524 -7.645 175 H GLY 25 H GLY 25 -9.185 21.775 -9.948 176 HA2 GLY 25 HA2 GLY 25 -9.006 23.955 -9.243 177 HA3 GLY 25 HA3 GLY 25 -10.700 23.907 -8.747 178 H VAL 26 H VAL 26 -8.418 21.630 -7.378 179 HA VAL 26 HA VAL 26 -8.815 22.482 -4.618 180 HB VAL 26 HB VAL 26 -7.147 20.440 -6.036 181 HG11 VAL 26 HG11 VAL 26 -5.545 20.974 -4.425 182 HG12 VAL 26 HG12 VAL 26 -6.750 21.136 -3.147 183 HG13 VAL 26 HG13 VAL 26 -6.400 19.540 -3.843 184 HG21 VAL 26 HG21 VAL 26 -9.372 20.398 -3.998 185 HG22 VAL 26 HG22 VAL 26 -9.456 19.911 -5.696 186 HG23 VAL 26 HG23 VAL 26 -8.512 18.952 -4.545 187 H SER 27 H SER 27 -7.339 23.402 -3.206 188 HA SER 27 HA SER 27 -5.765 25.557 -4.191 189 HB2 SER 27 HB2 SER 27 -5.743 24.261 -1.460 190 HB3 SER 27 HB3 SER 27 -5.033 25.828 -1.890 191 HG SER 27 HG SER 27 -7.155 26.538 -2.464 192 H LYS 28 H LYS 28 -4.297 24.666 -5.660 193 HA LYS 28 HA LYS 28 -2.353 22.701 -5.119 194 HB2 LYS 28 HB2 LYS 28 -1.183 23.434 -7.078 195 HB3 LYS 28 HB3 LYS 28 -2.902 23.335 -7.367 196 HG2 LYS 28 HG2 LYS 28 -1.446 25.972 -6.838 197 HG3 LYS 28 HG3 LYS 28 -1.651 25.244 -8.426 198 HD2 LYS 28 HD2 LYS 28 -4.194 25.267 -7.957 199 HD3 LYS 28 HD3 LYS 28 -3.800 26.424 -6.659 200 HE2 LYS 28 HE2 LYS 28 -2.631 27.866 -8.325 201 HE3 LYS 28 HE3 LYS 28 -2.993 26.687 -9.589 202 HZ1 LYS 28 HZ1 LYS 28 -5.405 27.092 -9.051 203 HZ2 LYS 28 HZ2 LYS 28 -4.633 28.328 -9.770 204 HZ3 LYS 28 HZ3 LYS 28 -4.945 28.387 -8.153 205 H LYS 29 H LYS 29 -2.239 26.032 -4.044 206 HA LYS 29 HA LYS 29 0.490 26.060 -3.175 207 HB2 LYS 29 HB2 LYS 29 -0.254 27.759 -1.584 208 HB3 LYS 29 HB3 LYS 29 -0.846 28.054 -3.222 209 HG2 LYS 29 HG2 LYS 29 -2.952 26.609 -2.092 210 HG3 LYS 29 HG3 LYS 29 -2.326 27.484 -0.701 211 HD2 LYS 29 HD2 LYS 29 -2.457 29.612 -2.086 212 HD3 LYS 29 HD3 LYS 29 -3.228 28.644 -3.367 213 HE2 LYS 29 HE2 LYS 29 -5.076 28.064 -1.810 214 HE3 LYS 29 HE3 LYS 29 -4.285 28.970 -0.516 215 HZ1 LYS 29 HZ1 LYS 29 -6.014 30.295 -1.592 216 HZ2 LYS 29 HZ2 LYS 29 -5.289 30.165 -3.048 217 HZ3 LYS 29 HZ3 LYS 29 -4.562 30.993 -1.842 218 H GLN 30 H GLN 30 -2.353 24.461 -1.767 219 HA GLN 30 HA GLN 30 -1.113 23.941 0.793 220 HB2 GLN 30 HB2 GLN 30 -3.394 22.525 -0.651 221 HB3 GLN 30 HB3 GLN 30 -2.898 22.154 0.976 222 HG2 GLN 30 HG2 GLN 30 -3.923 24.889 0.057 223 HG3 GLN 30 HG3 GLN 30 -4.908 23.643 0.818 224 HE21 GLN 30 HE21 GLN 30 -2.244 25.986 1.416 225 HE22 GLN 30 HE22 GLN 30 -2.428 25.916 3.159 226 H PHE 31 H PHE 31 -1.120 22.217 -2.327 227 HA PHE 31 HA PHE 31 0.108 19.760 -1.429 228 HB2 PHE 31 HB2 PHE 31 -0.137 21.195 -4.051 229 HB3 PHE 31 HB3 PHE 31 1.162 20.043 -3.875 230 HD1 PHE 31 HD1 PHE 31 0.795 17.910 -4.581 231 HD2 PHE 31 HD2 PHE 31 -2.555 20.167 -3.060 232 HE1 PHE 31 HE1 PHE 31 -0.760 16.060 -5.201 233 HE2 PHE 31 HE2 PHE 31 -4.066 18.271 -3.579 234 HZ PHE 31 HZ PHE 31 -3.154 16.202 -4.644 235 H ARG 32 H ARG 32 1.629 22.861 -2.490 236 HA ARG 32 HA ARG 32 4.300 21.962 -1.978 237 HB2 ARG 32 HB2 ARG 32 3.937 23.854 -3.426 238 HB3 ARG 32 HB3 ARG 32 3.086 24.736 -2.167 239 HG2 ARG 32 HG2 ARG 32 5.361 25.621 -2.499 240 HG3 ARG 32 HG3 ARG 32 5.131 25.012 -0.871 241 HD2 ARG 32 HD2 ARG 32 6.250 22.814 -1.727 242 HD3 ARG 32 HD3 ARG 32 6.772 23.750 -3.116 243 HE ARG 32 HE ARG 32 7.766 23.807 -0.366 244 HH11 ARG 32 HH11 ARG 32 7.699 25.879 -3.215 245 HH12 ARG 32 HH12 ARG 32 9.083 26.772 -2.646 246 HH21 ARG 32 HH21 ARG 32 9.353 24.885 0.251 247 HH22 ARG 32 HH22 ARG 32 10.044 26.227 -0.673 248 H GLU 33 H GLU 33 2.211 23.996 0.103 249 HA GLU 33 HA GLU 33 4.144 24.111 2.221 250 HB2 GLU 33 HB2 GLU 33 1.132 24.291 2.551 251 HB3 GLU 33 HB3 GLU 33 2.376 24.871 3.657 252 HG2 GLU 33 HG2 GLU 33 1.529 26.034 1.029 253 HG3 GLU 33 HG3 GLU 33 1.562 26.795 2.615 254 H PHE 34 H PHE 34 1.499 21.731 1.662 255 HA PHE 34 HA PHE 34 1.928 20.290 4.097 256 HB2 PHE 34 HB2 PHE 34 -0.128 20.322 2.569 257 HB3 PHE 34 HB3 PHE 34 0.709 19.119 1.593 258 HD1 PHE 34 HD1 PHE 34 1.315 16.858 2.766 259 HD2 PHE 34 HD2 PHE 34 -1.264 19.827 4.540 260 HE1 PHE 34 HE1 PHE 34 0.521 15.202 4.410 261 HE2 PHE 34 HE2 PHE 34 -2.115 18.132 6.135 262 HZ PHE 34 HZ PHE 34 -1.218 15.811 6.083 263 H LEU 35 H LEU 35 3.359 19.961 0.812 264 HA LEU 35 HA LEU 35 4.753 17.541 1.215 265 HB2 LEU 35 HB2 LEU 35 4.700 19.583 -0.784 266 HB3 LEU 35 HB3 LEU 35 6.358 19.546 -0.255 267 HG LEU 35 HG LEU 35 6.125 18.142 -2.139 268 HD11 LEU 35 HD11 LEU 35 7.530 17.330 -0.178 269 HD12 LEU 35 HD12 LEU 35 7.077 16.149 -1.403 270 HD13 LEU 35 HD13 LEU 35 6.216 16.183 0.153 271 HD21 LEU 35 HD21 LEU 35 3.678 17.826 -1.953 272 HD22 LEU 35 HD22 LEU 35 3.942 16.637 -0.665 273 HD23 LEU 35 HD23 LEU 35 4.556 16.340 -2.312 274 H ASP 36 H ASP 36 5.947 20.879 1.828 275 HA ASP 36 HA ASP 36 8.413 19.972 3.013 276 HB2 ASP 36 HB2 ASP 36 7.032 22.659 3.129 277 HB3 ASP 36 HB3 ASP 36 8.647 22.327 3.759 278 H TYR 37 H TYR 37 5.269 20.881 4.462 279 HA TYR 37 HA TYR 37 5.929 20.569 7.196 280 HB2 TYR 37 HB2 TYR 37 3.838 21.438 6.692 281 HB3 TYR 37 HB3 TYR 37 3.483 20.192 5.516 282 HD1 TYR 37 HD1 TYR 37 4.405 20.029 9.176 283 HD2 TYR 37 HD2 TYR 37 1.565 19.054 6.074 284 HE1 TYR 37 HE1 TYR 37 3.005 18.802 10.827 285 HE2 TYR 37 HE2 TYR 37 0.152 17.869 7.737 286 HH TYR 37 HH TYR 37 -0.083 17.205 9.909 287 H GLN 38 H GLN 38 4.781 17.941 4.926 288 HA GLN 38 HA GLN 38 5.261 15.887 6.900 289 HB2 GLN 38 HB2 GLN 38 5.079 15.662 3.867 290 HB3 GLN 38 HB3 GLN 38 5.242 14.306 4.972 291 HG2 GLN 38 HG2 GLN 38 2.915 16.256 5.041 292 HG3 GLN 38 HG3 GLN 38 2.900 14.659 4.270 293 HE21 GLN 38 HE21 GLN 38 1.760 16.105 6.969 294 HE22 GLN 38 HE22 GLN 38 1.825 14.708 8.035 295 H LYS 39 H LYS 39 7.413 17.218 4.313 296 HA LYS 39 HA LYS 39 9.475 15.255 4.532 297 HB2 LYS 39 HB2 LYS 39 9.371 18.220 3.849 298 HB3 LYS 39 HB3 LYS 39 10.934 17.455 3.984 299 HG2 LYS 39 HG2 LYS 39 10.718 16.220 2.089 300 HG3 LYS 39 HG3 LYS 39 8.934 16.231 2.069 301 HD2 LYS 39 HD2 LYS 39 8.886 18.473 1.306 302 HD3 LYS 39 HD3 LYS 39 10.561 18.792 1.795 303 HE2 LYS 39 HE2 LYS 39 11.400 17.337 0.009 304 HE3 LYS 39 HE3 LYS 39 9.760 16.921 -0.468 305 HZ1 LYS 39 HZ1 LYS 39 9.426 19.396 -0.849 306 HZ2 LYS 39 HZ2 LYS 39 10.554 18.767 -1.867 307 HZ3 LYS 39 HZ3 LYS 39 10.996 19.642 -0.558 308 H TRP 40 H TRP 40 9.166 18.366 6.310 309 HA TRP 40 HA TRP 40 11.444 17.777 8.014 310 HB2 TRP 40 HB2 TRP 40 9.529 20.020 7.631 311 HB3 TRP 40 HB3 TRP 40 10.318 19.905 9.192 312 HD1 TRP 40 HD1 TRP 40 12.796 20.482 9.417 313 HE1 TRP 40 HE1 TRP 40 14.481 21.741 7.925 314 HE3 TRP 40 HE3 TRP 40 10.377 20.093 4.916 315 HZ2 TRP 40 HZ2 TRP 40 14.731 22.479 5.166 316 HZ3 TRP 40 HZ3 TRP 40 11.347 21.109 2.873 317 HH2 TRP 40 HH2 TRP 40 13.503 22.341 2.990 318 H ARG 41 H ARG 41 8.152 16.789 8.312 319 HA ARG 41 HA ARG 41 8.452 16.130 11.205 320 HB2 ARG 41 HB2 ARG 41 6.243 16.142 9.201 321 HB3 ARG 41 HB3 ARG 41 6.289 14.687 10.155 322 HG2 ARG 41 HG2 ARG 41 4.826 16.224 11.269 323 HG3 ARG 41 HG3 ARG 41 6.261 15.986 12.246 324 HD2 ARG 41 HD2 ARG 41 7.175 18.202 11.216 325 HD3 ARG 41 HD3 ARG 41 5.550 18.418 10.549 326 HE ARG 41 HE ARG 41 5.101 17.848 13.224 327 HH11 ARG 41 HH11 ARG 41 7.021 21.299 13.314 328 HH12 ARG 41 HH12 ARG 41 7.039 20.427 11.799 329 HH21 ARG 41 HH21 ARG 41 5.112 18.906 14.906 330 HH22 ARG 41 HH22 ARG 41 5.833 20.519 15.068 331 H LYS 42 H LYS 42 8.410 14.505 8.090 332 HA LYS 42 HA LYS 42 8.660 11.859 9.315 333 HB2 LYS 42 HB2 LYS 42 7.044 12.839 7.381 334 HB3 LYS 42 HB3 LYS 42 8.366 12.366 6.342 335 HG2 LYS 42 HG2 LYS 42 7.126 10.420 6.334 336 HG3 LYS 42 HG3 LYS 42 8.073 10.042 7.770 337 HD2 LYS 42 HD2 LYS 42 5.284 11.289 7.656 338 HD3 LYS 42 HD3 LYS 42 5.617 9.614 8.047 339 HE2 LYS 42 HE2 LYS 42 6.548 11.987 9.740 340 HE3 LYS 42 HE3 LYS 42 5.031 11.147 9.992 341 HZ1 LYS 42 HZ1 LYS 42 7.689 9.810 10.147 342 HZ2 LYS 42 HZ2 LYS 42 6.246 9.098 10.414 343 HZ3 LYS 42 HZ3 LYS 42 6.779 10.255 11.429 344 H SER 43 H SER 43 10.468 13.677 6.827 345 HA SER 43 HA SER 43 12.740 11.764 6.970 346 HB2 SER 43 HB2 SER 43 12.103 12.708 4.781 347 HB3 SER 43 HB3 SER 43 12.390 14.341 5.394 348 HG SER 43 HG SER 43 14.273 12.259 4.971 349 H GLN 44 H GLN 44 11.773 15.012 8.025 350 HA GLN 44 HA GLN 44 12.509 16.387 9.623 351 HB2 GLN 44 HB2 GLN 44 12.227 14.012 10.795 352 HB3 GLN 44 HB3 GLN 44 13.937 14.232 11.137 353 HG2 GLN 44 HG2 GLN 44 11.555 15.900 12.000 354 HG3 GLN 44 HG3 GLN 44 12.695 15.039 13.018 355 HE21 GLN 44 HE21 GLN 44 11.993 18.018 11.350 356 HE22 GLN 44 HE22 GLN 44 13.399 18.898 11.969 357 H LYS 45 H LYS 45 13.822 16.813 7.531 358 HA LYS 45 HA LYS 45 16.562 16.295 7.288 359 HB2 LYS 45 HB2 LYS 45 14.849 18.568 6.199 360 HB3 LYS 45 HB3 LYS 45 16.450 18.148 5.582 361 HG2 LYS 45 HG2 LYS 45 15.736 16.126 4.629 362 HG3 LYS 45 HG3 LYS 45 14.331 15.996 5.676 363 HD2 LYS 45 HD2 LYS 45 13.477 16.466 3.581 364 HD3 LYS 45 HD3 LYS 45 13.277 17.941 4.516 365 HE2 LYS 45 HE2 LYS 45 15.625 17.492 2.603 366 HE3 LYS 45 HE3 LYS 45 14.056 18.060 2.040 367 HZ1 LYS 45 HZ1 LYS 45 14.312 19.943 3.674 368 HZ2 LYS 45 HZ2 LYS 45 15.351 19.966 2.414 369 HZ3 LYS 45 HZ3 LYS 45 15.894 19.527 3.860 370 H GLU 46 H GLU 46 15.087 18.814 9.139 371 HA GLU 46 HA GLU 46 15.714 20.711 10.183 372 HB2 GLU 46 HB2 GLU 46 18.589 19.759 10.060 373 HB3 GLU 46 HB3 GLU 46 17.952 21.112 10.993 374 HG2 GLU 46 HG2 GLU 46 16.435 19.522 12.206 375 HG3 GLU 46 HG3 GLU 46 17.230 18.178 11.378 376 H GLU 47 H GLU 47 18.168 20.138 7.635 377 HA GLU 47 HA GLU 47 17.012 22.281 6.017 378 HB2 GLU 47 HB2 GLU 47 18.651 23.513 7.339 379 HB3 GLU 47 HB3 GLU 47 19.945 22.444 6.819 380 HG2 GLU 47 HG2 GLU 47 18.257 23.878 4.738 381 HG3 GLU 47 HG3 GLU 47 19.413 24.810 5.670 382 H1 GLY 1 H1 GLY 1 -10.984 37.253 -22.843 383 H2 GLY 1 H2 GLY 1 -10.053 36.805 -21.570 384 H3 GLY 1 H3 GLY 1 -11.545 37.430 -21.311 385 HA2 GLY 1 HA2 GLY 1 -12.586 35.531 -22.382 386 HA3 GLY 1 HA3 GLY 1 -10.963 34.855 -22.621 387 H SER 2 H SER 2 -11.979 33.022 -21.418 388 HA SER 2 HA SER 2 -12.603 33.292 -18.597 389 HB2 SER 2 HB2 SER 2 -13.617 31.568 -20.013 390 HB3 SER 2 HB3 SER 2 -12.025 30.852 -20.316 391 HG SER 2 HG SER 2 -13.478 30.966 -17.871 392 H HIS 3 H HIS 3 -9.722 32.164 -20.370 393 HA HIS 3 HA HIS 3 -7.658 31.514 -19.756 394 HB2 HIS 3 HB2 HIS 3 -7.881 33.743 -17.712 395 HB3 HIS 3 HB3 HIS 3 -6.402 33.100 -18.424 396 HD1 HIS 3 HD1 HIS 3 -6.384 33.448 -21.314 397 HD2 HIS 3 HD2 HIS 3 -8.886 35.823 -18.905 398 HE1 HIS 3 HE1 HIS 3 -7.088 35.428 -22.755 399 H MET 4 H MET 4 -9.407 29.774 -18.748 400 HA MET 4 HA MET 4 -9.213 29.129 -16.003 401 HB2 MET 4 HB2 MET 4 -10.227 27.041 -16.621 402 HB3 MET 4 HB3 MET 4 -10.918 28.323 -17.611 403 HG2 MET 4 HG2 MET 4 -9.185 27.624 -19.415 404 HG3 MET 4 HG3 MET 4 -8.889 26.207 -18.413 405 HE1 MET 4 HE1 MET 4 -11.194 28.098 -20.840 406 HE2 MET 4 HE2 MET 4 -12.704 27.157 -20.856 407 HE3 MET 4 HE3 MET 4 -12.292 28.145 -19.442 408 H GLU 5 H GLU 5 -8.205 27.326 -14.957 409 HA GLU 5 HA GLU 5 -5.361 27.048 -15.479 410 HB2 GLU 5 HB2 GLU 5 -7.178 25.540 -13.564 411 HB3 GLU 5 HB3 GLU 5 -5.422 25.527 -13.511 412 HG2 GLU 5 HG2 GLU 5 -7.095 28.051 -13.097 413 HG3 GLU 5 HG3 GLU 5 -6.623 26.957 -11.812 414 H TYR 6 H TYR 6 -4.225 25.065 -15.721 415 HA TYR 6 HA TYR 6 -3.616 23.123 -16.641 416 HB2 TYR 6 HB2 TYR 6 -5.647 22.426 -15.117 417 HB3 TYR 6 HB3 TYR 6 -6.420 22.047 -16.644 418 HD1 TYR 6 HD1 TYR 6 -5.988 19.888 -17.638 419 HD2 TYR 6 HD2 TYR 6 -3.394 21.428 -14.566 420 HE1 TYR 6 HE1 TYR 6 -4.827 17.696 -17.505 421 HE2 TYR 6 HE2 TYR 6 -2.431 19.173 -14.214 422 HH TYR 6 HH TYR 6 -3.192 16.512 -16.563 423 H ASP 7 H ASP 7 -3.501 21.797 -18.502 424 HA ASP 7 HA ASP 7 -4.976 22.628 -20.921 425 HB2 ASP 7 HB2 ASP 7 -3.118 24.306 -20.516 426 HB3 ASP 7 HB3 ASP 7 -1.960 22.999 -20.739 427 H GLY 8 H GLY 8 -5.060 20.159 -19.684 428 HA2 GLY 8 HA2 GLY 8 -4.925 17.898 -20.135 429 HA3 GLY 8 HA3 GLY 8 -4.294 18.294 -21.737 430 H GLN 9 H GLN 9 -2.527 19.530 -19.043 431 HA GLN 9 HA GLN 9 -0.432 17.434 -19.068 432 HB2 GLN 9 HB2 GLN 9 0.092 18.897 -20.952 433 HB3 GLN 9 HB3 GLN 9 -0.166 20.335 -19.965 434 HG2 GLN 9 HG2 GLN 9 2.234 19.900 -20.345 435 HG3 GLN 9 HG3 GLN 9 1.817 19.902 -18.642 436 HE21 GLN 9 HE21 GLN 9 3.037 18.349 -17.568 437 HE22 GLN 9 HE22 GLN 9 3.434 16.775 -18.258 438 H LEU 10 H LEU 10 0.476 17.220 -17.073 439 HA LEU 10 HA LEU 10 -0.337 18.922 -14.896 440 HB2 LEU 10 HB2 LEU 10 0.259 16.424 -14.844 441 HB3 LEU 10 HB3 LEU 10 1.951 16.908 -14.850 442 HG LEU 10 HG LEU 10 1.018 16.250 -12.683 443 HD11 LEU 10 HD11 LEU 10 1.649 19.150 -12.409 444 HD12 LEU 10 HD12 LEU 10 2.878 17.984 -12.932 445 HD13 LEU 10 HD13 LEU 10 2.056 17.755 -11.377 446 HD21 LEU 10 HD21 LEU 10 -0.521 18.701 -12.158 447 HD22 LEU 10 HD22 LEU 10 -0.913 16.986 -11.887 448 HD23 LEU 10 HD23 LEU 10 -1.214 17.674 -13.430 449 H ASP 11 H ASP 11 0.437 20.788 -14.313 450 HA ASP 11 HA ASP 11 2.631 22.028 -15.640 451 HB2 ASP 11 HB2 ASP 11 0.459 22.879 -14.140 452 HB3 ASP 11 HB3 ASP 11 1.785 23.128 -13.015 453 H SER 12 H SER 12 4.763 22.224 -15.090 454 HA SER 12 HA SER 12 5.902 20.094 -13.700 455 HB2 SER 12 HB2 SER 12 7.270 22.741 -14.241 456 HB3 SER 12 HB3 SER 12 8.044 21.155 -14.031 457 HG SER 12 HG SER 12 7.113 20.465 -15.955 458 H GLU 13 H GLU 13 4.909 23.081 -12.327 459 HA GLU 13 HA GLU 13 6.386 23.178 -9.890 460 HB2 GLU 13 HB2 GLU 13 3.630 24.138 -10.750 461 HB3 GLU 13 HB3 GLU 13 4.289 24.487 -9.165 462 HG2 GLU 13 HG2 GLU 13 5.589 25.252 -11.814 463 HG3 GLU 13 HG3 GLU 13 4.580 26.325 -10.851 464 H TRP 14 H TRP 14 3.605 21.202 -10.812 465 HA TRP 14 HA TRP 14 3.302 20.299 -8.005 466 HB2 TRP 14 HB2 TRP 14 1.418 19.357 -10.086 467 HB3 TRP 14 HB3 TRP 14 1.162 19.767 -8.388 468 HD1 TRP 14 HD1 TRP 14 0.418 20.995 -11.688 469 HE1 TRP 14 HE1 TRP 14 -0.007 23.534 -11.780 470 HE3 TRP 14 HE3 TRP 14 1.942 22.291 -6.971 471 HZ2 TRP 14 HZ2 TRP 14 0.530 25.853 -10.147 472 HZ3 TRP 14 HZ3 TRP 14 2.003 24.671 -6.270 473 HH2 TRP 14 HH2 TRP 14 1.327 26.463 -7.856 474 H GLU 15 H GLU 15 4.209 19.084 -11.153 475 HA GLU 15 HA GLU 15 4.591 16.315 -10.614 476 HB2 GLU 15 HB2 GLU 15 4.898 16.999 -12.845 477 HB3 GLU 15 HB3 GLU 15 5.952 18.348 -12.391 478 HG2 GLU 15 HG2 GLU 15 7.742 16.833 -11.776 479 HG3 GLU 15 HG3 GLU 15 6.727 15.425 -12.141 480 H LYS 16 H LYS 16 6.745 19.123 -10.087 481 HA LYS 16 HA LYS 16 8.876 17.538 -8.978 482 HB2 LYS 16 HB2 LYS 16 9.908 19.593 -8.272 483 HB3 LYS 16 HB3 LYS 16 9.291 19.685 -9.919 484 HG2 LYS 16 HG2 LYS 16 8.560 21.672 -9.292 485 HG3 LYS 16 HG3 LYS 16 7.187 20.767 -8.675 486 HD2 LYS 16 HD2 LYS 16 8.184 20.746 -6.404 487 HD3 LYS 16 HD3 LYS 16 9.634 21.557 -6.997 488 HE2 LYS 16 HE2 LYS 16 6.836 22.747 -7.153 489 HE3 LYS 16 HE3 LYS 16 7.934 23.045 -5.810 490 HZ1 LYS 16 HZ1 LYS 16 7.884 24.690 -7.792 491 HZ2 LYS 16 HZ2 LYS 16 8.803 23.613 -8.573 492 HZ3 LYS 16 HZ3 LYS 16 9.362 24.269 -7.184 493 H LEU 17 H LEU 17 6.069 18.933 -7.423 494 HA LEU 17 HA LEU 17 6.868 18.476 -4.679 495 HB2 LEU 17 HB2 LEU 17 4.112 18.657 -5.946 496 HB3 LEU 17 HB3 LEU 17 4.412 18.686 -4.223 497 HG LEU 17 HG LEU 17 5.613 20.719 -6.130 498 HD11 LEU 17 HD11 LEU 17 3.841 22.167 -5.630 499 HD12 LEU 17 HD12 LEU 17 3.207 21.105 -4.338 500 HD13 LEU 17 HD13 LEU 17 3.061 20.628 -6.036 501 HD21 LEU 17 HD21 LEU 17 5.770 22.037 -4.013 502 HD22 LEU 17 HD22 LEU 17 6.852 20.637 -4.073 503 HD23 LEU 17 HD23 LEU 17 5.357 20.547 -3.117 504 H VAL 18 H VAL 18 4.784 16.549 -6.963 505 HA VAL 18 HA VAL 18 4.426 14.455 -4.997 506 HB VAL 18 HB VAL 18 2.879 14.790 -6.837 507 HG11 VAL 18 HG11 VAL 18 5.183 13.890 -8.603 508 HG12 VAL 18 HG12 VAL 18 3.468 13.725 -9.069 509 HG13 VAL 18 HG13 VAL 18 4.173 15.320 -8.700 510 HG21 VAL 18 HG21 VAL 18 2.919 12.645 -5.677 511 HG22 VAL 18 HG22 VAL 18 2.486 12.476 -7.389 512 HG23 VAL 18 HG23 VAL 18 4.099 11.991 -6.817 513 H ARG 19 H ARG 19 6.850 14.783 -7.634 514 HA ARG 19 HA ARG 19 8.104 12.211 -7.127 515 HB2 ARG 19 HB2 ARG 19 9.163 14.825 -8.308 516 HB3 ARG 19 HB3 ARG 19 10.038 13.255 -8.311 517 HG2 ARG 19 HG2 ARG 19 8.004 12.396 -9.609 518 HG3 ARG 19 HG3 ARG 19 7.563 14.050 -9.901 519 HD2 ARG 19 HD2 ARG 19 10.321 12.933 -10.587 520 HD3 ARG 19 HD3 ARG 19 8.925 12.713 -11.626 521 HE ARG 19 HE ARG 19 9.045 14.902 -12.335 522 HH11 ARG 19 HH11 ARG 19 10.008 16.682 -12.824 523 HH12 ARG 19 HH12 ARG 19 11.316 17.337 -11.846 524 HH21 ARG 19 HH21 ARG 19 11.301 14.677 -9.646 525 HH22 ARG 19 HH22 ARG 19 12.036 16.197 -10.069 526 H ASP 20 H ASP 20 8.672 15.478 -5.805 527 HA ASP 20 HA ASP 20 10.829 14.881 -4.035 528 HB2 ASP 20 HB2 ASP 20 8.610 16.903 -4.183 529 HB3 ASP 20 HB3 ASP 20 9.428 16.718 -2.656 530 H ALA 21 H ALA 21 7.253 14.538 -3.515 531 HA ALA 21 HA ALA 21 7.536 13.702 -0.789 532 HB1 ALA 21 HB1 ALA 21 5.433 14.511 -1.569 533 HB2 ALA 21 HB2 ALA 21 5.331 13.272 -2.846 534 HB3 ALA 21 HB3 ALA 21 5.198 12.808 -1.144 535 H MET 22 H MET 22 7.280 11.818 -3.836 536 HA MET 22 HA MET 22 7.383 9.264 -2.645 537 HB2 MET 22 HB2 MET 22 8.488 10.046 -5.358 538 HB3 MET 22 HB3 MET 22 8.143 8.422 -4.765 539 HG2 MET 22 HG2 MET 22 6.356 10.290 -6.061 540 HG3 MET 22 HG3 MET 22 6.247 8.618 -5.865 541 HE1 MET 22 HE1 MET 22 5.605 8.108 -2.510 542 HE2 MET 22 HE2 MET 22 3.917 7.951 -3.052 543 HE3 MET 22 HE3 MET 22 5.235 7.379 -4.091 544 H THR 23 H THR 23 10.083 11.337 -3.772 545 HA THR 23 HA THR 23 12.137 9.440 -2.936 546 HB THR 23 HB THR 23 13.729 11.276 -3.432 547 HG1 THR 23 HG1 THR 23 11.491 12.663 -4.431 548 HG21 THR 23 HG21 THR 23 11.672 10.703 -5.599 549 HG22 THR 23 HG22 THR 23 13.077 9.704 -5.174 550 HG23 THR 23 HG23 THR 23 13.322 11.326 -5.853 551 H SER 24 H SER 24 10.637 12.246 -1.346 552 HA SER 24 HA SER 24 12.542 12.316 0.799 553 HB2 SER 24 HB2 SER 24 11.264 14.274 0.333 554 HB3 SER 24 HB3 SER 24 9.722 13.461 0.606 555 HG SER 24 HG SER 24 11.790 13.967 2.504 556 H GLY 25 H GLY 25 9.664 10.360 0.229 557 HA2 GLY 25 HA2 GLY 25 8.912 8.473 1.413 558 HA3 GLY 25 HA3 GLY 25 10.025 8.818 2.742 559 H VAL 26 H VAL 26 7.941 11.264 1.368 560 HA VAL 26 HA VAL 26 6.571 12.029 3.800 561 HB VAL 26 HB VAL 26 6.344 12.642 0.868 562 HG11 VAL 26 HG11 VAL 26 4.795 14.532 1.450 563 HG12 VAL 26 HG12 VAL 26 4.082 12.912 1.329 564 HG13 VAL 26 HG13 VAL 26 4.395 13.618 2.918 565 HG21 VAL 26 HG21 VAL 26 8.192 13.598 2.238 566 HG22 VAL 26 HG22 VAL 26 7.113 14.854 1.637 567 HG23 VAL 26 HG23 VAL 26 7.008 14.320 3.323 568 H SER 27 H SER 27 4.398 11.754 4.369 569 HA SER 27 HA SER 27 3.432 9.151 4.232 570 HB2 SER 27 HB2 SER 27 1.912 11.677 4.888 571 HB3 SER 27 HB3 SER 27 1.350 10.028 5.218 572 HG SER 27 HG SER 27 3.168 11.587 6.550 573 H LYS 28 H LYS 28 3.006 8.216 2.316 574 HA LYS 28 HA LYS 28 1.938 9.390 0.013 575 HB2 LYS 28 HB2 LYS 28 1.717 6.451 0.820 576 HB3 LYS 28 HB3 LYS 28 1.578 7.105 -0.816 577 HG2 LYS 28 HG2 LYS 28 3.946 7.990 -0.575 578 HG3 LYS 28 HG3 LYS 28 4.083 7.076 0.928 579 HD2 LYS 28 HD2 LYS 28 3.468 5.915 -1.820 580 HD3 LYS 28 HD3 LYS 28 5.047 5.877 -1.050 581 HE2 LYS 28 HE2 LYS 28 2.569 4.573 0.167 582 HE3 LYS 28 HE3 LYS 28 3.633 3.745 -0.968 583 HZ1 LYS 28 HZ1 LYS 28 5.469 3.994 0.532 584 HZ2 LYS 28 HZ2 LYS 28 4.249 3.281 1.333 585 HZ3 LYS 28 HZ3 LYS 28 4.580 4.861 1.614 586 H LYS 29 H LYS 29 0.186 7.824 2.661 587 HA LYS 29 HA LYS 29 -2.437 7.820 1.584 588 HB2 LYS 29 HB2 LYS 29 -3.136 7.591 3.922 589 HB3 LYS 29 HB3 LYS 29 -1.759 6.565 3.538 590 HG2 LYS 29 HG2 LYS 29 -0.457 8.817 4.484 591 HG3 LYS 29 HG3 LYS 29 -1.960 8.903 5.399 592 HD2 LYS 29 HD2 LYS 29 -1.587 6.540 6.147 593 HD3 LYS 29 HD3 LYS 29 -0.065 6.528 5.213 594 HE2 LYS 29 HE2 LYS 29 0.805 8.381 6.628 595 HE3 LYS 29 HE3 LYS 29 -0.711 8.393 7.545 596 HZ1 LYS 29 HZ1 LYS 29 -0.223 6.114 8.256 597 HZ2 LYS 29 HZ2 LYS 29 1.005 7.100 8.681 598 HZ3 LYS 29 HZ3 LYS 29 1.173 6.095 7.407 599 H GLN 30 H GLN 30 -0.622 10.479 3.029 600 HA GLN 30 HA GLN 30 -2.905 12.139 3.619 601 HB2 GLN 30 HB2 GLN 30 0.032 12.833 3.169 602 HB3 GLN 30 HB3 GLN 30 -1.200 13.957 3.743 603 HG2 GLN 30 HG2 GLN 30 -0.343 11.407 5.142 604 HG3 GLN 30 HG3 GLN 30 0.207 13.027 5.574 605 HE21 GLN 30 HE21 GLN 30 -2.636 11.769 7.734 606 HE22 GLN 30 HE22 GLN 30 -1.112 11.051 7.259 607 H PHE 31 H PHE 31 -0.925 11.707 0.715 608 HA PHE 31 HA PHE 31 -1.734 14.028 -0.759 609 HB2 PHE 31 HB2 PHE 31 -0.526 11.402 -1.392 610 HB3 PHE 31 HB3 PHE 31 -1.565 12.022 -2.654 611 HD1 PHE 31 HD1 PHE 31 -0.726 13.460 -4.264 612 HD2 PHE 31 HD2 PHE 31 1.217 13.235 -0.409 613 HE1 PHE 31 HE1 PHE 31 1.132 14.877 -5.104 614 HE2 PHE 31 HE2 PHE 31 3.020 14.687 -1.240 615 HZ PHE 31 HZ PHE 31 2.955 15.560 -3.585 616 H ARG 32 H ARG 32 -3.223 10.773 -0.891 617 HA ARG 32 HA ARG 32 -5.453 11.633 -2.473 618 HB2 ARG 32 HB2 ARG 32 -4.668 9.286 -2.384 619 HB3 ARG 32 HB3 ARG 32 -4.949 9.227 -0.650 620 HG2 ARG 32 HG2 ARG 32 -6.713 8.001 -1.741 621 HG3 ARG 32 HG3 ARG 32 -7.397 9.448 -1.034 622 HD2 ARG 32 HD2 ARG 32 -7.027 10.470 -3.470 623 HD3 ARG 32 HD3 ARG 32 -6.953 8.786 -3.956 624 HE ARG 32 HE ARG 32 -9.287 10.251 -2.799 625 HH11 ARG 32 HH11 ARG 32 -8.230 7.124 -4.039 626 HH12 ARG 32 HH12 ARG 32 -9.875 6.558 -4.131 627 HH21 ARG 32 HH21 ARG 32 -11.173 9.509 -2.872 628 HH22 ARG 32 HH22 ARG 32 -11.567 7.898 -3.485 629 H GLU 33 H GLU 33 -5.279 11.078 1.059 630 HA GLU 33 HA GLU 33 -8.044 11.754 1.462 631 HB2 GLU 33 HB2 GLU 33 -5.726 11.944 3.430 632 HB3 GLU 33 HB3 GLU 33 -7.440 12.035 3.836 633 HG2 GLU 33 HG2 GLU 33 -5.940 9.618 2.836 634 HG3 GLU 33 HG3 GLU 33 -6.721 9.852 4.400 635 H PHE 34 H PHE 34 -5.110 13.878 1.608 636 HA PHE 34 HA PHE 34 -6.559 16.227 2.297 637 HB2 PHE 34 HB2 PHE 34 -4.046 15.777 2.450 638 HB3 PHE 34 HB3 PHE 34 -3.955 16.193 0.741 639 HD1 PHE 34 HD1 PHE 34 -4.195 17.336 4.164 640 HD2 PHE 34 HD2 PHE 34 -4.644 18.644 0.066 641 HE1 PHE 34 HE1 PHE 34 -4.122 19.700 4.904 642 HE2 PHE 34 HE2 PHE 34 -4.693 20.967 0.830 643 HZ PHE 34 HZ PHE 34 -4.383 21.529 3.240 644 H LEU 35 H LEU 35 -5.741 14.806 -0.882 645 HA LEU 35 HA LEU 35 -6.605 16.866 -2.587 646 HB2 LEU 35 HB2 LEU 35 -5.582 14.416 -2.994 647 HB3 LEU 35 HB3 LEU 35 -7.254 13.963 -3.146 648 HG LEU 35 HG LEU 35 -5.425 15.477 -4.938 649 HD11 LEU 35 HD11 LEU 35 -7.768 13.596 -5.393 650 HD12 LEU 35 HD12 LEU 35 -6.061 13.134 -5.243 651 HD13 LEU 35 HD13 LEU 35 -6.576 14.129 -6.600 652 HD21 LEU 35 HD21 LEU 35 -7.381 16.332 -6.293 653 HD22 LEU 35 HD22 LEU 35 -7.089 17.225 -4.795 654 HD23 LEU 35 HD23 LEU 35 -8.410 16.046 -4.888 655 H ASP 36 H ASP 36 -8.544 14.093 -1.342 656 HA ASP 36 HA ASP 36 -11.022 15.026 -2.439 657 HB2 ASP 36 HB2 ASP 36 -10.438 12.992 -0.282 658 HB3 ASP 36 HB3 ASP 36 -12.043 13.311 -0.944 659 H TYR 37 H TYR 37 -9.558 15.469 0.792 660 HA TYR 37 HA TYR 37 -11.672 16.910 2.025 661 HB2 TYR 37 HB2 TYR 37 -9.976 16.243 3.399 662 HB3 TYR 37 HB3 TYR 37 -8.709 16.701 2.285 663 HD1 TYR 37 HD1 TYR 37 -7.225 18.005 3.445 664 HD2 TYR 37 HD2 TYR 37 -11.450 18.809 3.814 665 HE1 TYR 37 HE1 TYR 37 -6.724 20.048 4.766 666 HE2 TYR 37 HE2 TYR 37 -10.935 20.883 5.080 667 HH TYR 37 HH TYR 37 -9.201 22.381 5.680 668 H GLN 38 H GLN 38 -8.951 18.279 0.004 669 HA GLN 38 HA GLN 38 -10.135 20.922 0.055 670 HB2 GLN 38 HB2 GLN 38 -8.144 19.716 -1.899 671 HB3 GLN 38 HB3 GLN 38 -8.642 21.391 -1.911 672 HG2 GLN 38 HG2 GLN 38 -7.080 19.956 0.252 673 HG3 GLN 38 HG3 GLN 38 -6.534 21.282 -0.783 674 HE21 GLN 38 HE21 GLN 38 -6.760 20.960 2.276 675 HE22 GLN 38 HE22 GLN 38 -7.637 22.403 2.746 676 H LYS 39 H LYS 39 -10.537 18.203 -2.258 677 HA LYS 39 HA LYS 39 -12.014 19.577 -4.270 678 HB2 LYS 39 HB2 LYS 39 -11.893 16.751 -3.224 679 HB3 LYS 39 HB3 LYS 39 -13.199 17.167 -4.321 680 HG2 LYS 39 HG2 LYS 39 -11.752 17.660 -6.085 681 HG3 LYS 39 HG3 LYS 39 -10.289 17.642 -5.098 682 HD2 LYS 39 HD2 LYS 39 -10.448 15.285 -4.741 683 HD3 LYS 39 HD3 LYS 39 -12.108 15.212 -5.354 684 HE2 LYS 39 HE2 LYS 39 -11.344 15.684 -7.629 685 HE3 LYS 39 HE3 LYS 39 -9.683 15.873 -7.073 686 HZ1 LYS 39 HZ1 LYS 39 -11.321 13.383 -6.982 687 HZ2 LYS 39 HZ2 LYS 39 -9.889 13.501 -6.229 688 HZ3 LYS 39 HZ3 LYS 39 -9.962 13.587 -7.863 689 H TRP 40 H TRP 40 -13.252 17.943 -1.320 690 HA TRP 40 HA TRP 40 -15.939 18.956 -1.753 691 HB2 TRP 40 HB2 TRP 40 -14.579 17.170 0.186 692 HB3 TRP 40 HB3 TRP 40 -16.041 17.967 0.739 693 HD1 TRP 40 HD1 TRP 40 -18.286 17.065 0.008 694 HE1 TRP 40 HE1 TRP 40 -19.122 15.169 -1.490 695 HE3 TRP 40 HE3 TRP 40 -13.883 15.804 -2.298 696 HZ2 TRP 40 HZ2 TRP 40 -18.084 13.459 -3.554 697 HZ3 TRP 40 HZ3 TRP 40 -13.844 14.043 -4.044 698 HH2 TRP 40 HH2 TRP 40 -15.936 12.870 -4.689 699 H ARG 41 H ARG 41 -13.259 20.605 -0.498 700 HA ARG 41 HA ARG 41 -14.981 22.547 0.992 701 HB2 ARG 41 HB2 ARG 41 -12.097 21.836 1.024 702 HB3 ARG 41 HB3 ARG 41 -12.371 23.553 0.868 703 HG2 ARG 41 HG2 ARG 41 -12.184 23.104 3.211 704 HG3 ARG 41 HG3 ARG 41 -13.848 23.523 2.873 705 HD2 ARG 41 HD2 ARG 41 -14.349 20.960 2.782 706 HD3 ARG 41 HD3 ARG 41 -12.707 20.740 3.390 707 HE ARG 41 HE ARG 41 -13.786 22.586 5.142 708 HH11 ARG 41 HH11 ARG 41 -15.013 19.380 4.286 709 HH12 ARG 41 HH12 ARG 41 -16.043 19.393 5.719 710 HH21 ARG 41 HH21 ARG 41 -14.927 22.452 6.781 711 HH22 ARG 41 HH22 ARG 41 -15.862 21.013 7.222 712 H LYS 42 H LYS 42 -12.789 22.450 -1.800 713 HA LYS 42 HA LYS 42 -13.417 25.156 -2.722 714 HB2 LYS 42 HB2 LYS 42 -11.674 22.860 -3.731 715 HB3 LYS 42 HB3 LYS 42 -12.086 24.200 -4.788 716 HG2 LYS 42 HG2 LYS 42 -10.021 24.767 -3.900 717 HG3 LYS 42 HG3 LYS 42 -11.185 25.820 -3.131 718 HD2 LYS 42 HD2 LYS 42 -10.733 23.424 -1.478 719 HD3 LYS 42 HD3 LYS 42 -9.208 24.120 -1.975 720 HE2 LYS 42 HE2 LYS 42 -10.583 26.390 -1.235 721 HE3 LYS 42 HE3 LYS 42 -11.315 25.197 -0.152 722 HZ1 LYS 42 HZ1 LYS 42 -8.402 25.730 -0.451 723 HZ2 LYS 42 HZ2 LYS 42 -9.025 24.581 0.521 724 HZ3 LYS 42 HZ3 LYS 42 -9.317 26.175 0.847 725 H SER 43 H SER 43 -13.974 21.929 -4.123 726 HA SER 43 HA SER 43 -15.801 23.069 -6.168 727 HB2 SER 43 HB2 SER 43 -14.075 21.512 -6.882 728 HB3 SER 43 HB3 SER 43 -14.685 20.274 -5.785 729 HG SER 43 HG SER 43 -16.072 21.407 -8.003 730 H GLN 44 H GLN 44 -15.932 21.059 -3.263 731 HA GLN 44 HA GLN 44 -17.627 20.409 -1.927 732 HB2 GLN 44 HB2 GLN 44 -17.879 23.036 -2.301 733 HB3 GLN 44 HB3 GLN 44 -19.461 22.565 -2.911 734 HG2 GLN 44 HG2 GLN 44 -18.264 22.063 -0.149 735 HG3 GLN 44 HG3 GLN 44 -19.538 23.187 -0.551 736 HE21 GLN 44 HE21 GLN 44 -18.807 19.773 0.081 737 HE22 GLN 44 HE22 GLN 44 -20.515 19.348 0.294 738 H LYS 45 H LYS 45 -17.411 18.968 -4.197 739 HA LYS 45 HA LYS 45 -19.859 18.656 -5.663 740 HB2 LYS 45 HB2 LYS 45 -18.592 17.146 -7.038 741 HB3 LYS 45 HB3 LYS 45 -17.681 18.601 -6.669 742 HG2 LYS 45 HG2 LYS 45 -16.687 16.990 -4.703 743 HG3 LYS 45 HG3 LYS 45 -17.142 15.754 -5.876 744 HD2 LYS 45 HD2 LYS 45 -15.253 18.102 -6.265 745 HD3 LYS 45 HD3 LYS 45 -14.808 16.403 -6.223 746 HE2 LYS 45 HE2 LYS 45 -15.353 16.045 -8.405 747 HE3 LYS 45 HE3 LYS 45 -16.824 17.011 -8.307 748 HZ1 LYS 45 HZ1 LYS 45 -15.234 18.090 -9.757 749 HZ2 LYS 45 HZ2 LYS 45 -14.087 18.130 -8.586 750 HZ3 LYS 45 HZ3 LYS 45 -15.445 19.023 -8.421 751 H GLU 46 H GLU 46 -20.607 18.159 -3.134 752 HA GLU 46 HA GLU 46 -20.787 15.317 -2.550 753 HB2 GLU 46 HB2 GLU 46 -22.108 15.947 -0.677 754 HB3 GLU 46 HB3 GLU 46 -20.746 17.057 -0.823 755 HG2 GLU 46 HG2 GLU 46 -22.264 18.763 -1.832 756 HG3 GLU 46 HG3 GLU 46 -23.617 17.635 -1.697 757 H GLU 47 H GLU 47 -22.548 17.287 -4.717 758 HA GLU 47 HA GLU 47 -24.458 15.122 -5.311 759 HB2 GLU 47 HB2 GLU 47 -25.647 16.481 -3.650 760 HB3 GLU 47 HB3 GLU 47 -25.379 17.940 -4.618 761 HG2 GLU 47 HG2 GLU 47 -26.779 17.061 -6.419 762 HG3 GLU 47 HG3 GLU 47 -26.879 15.487 -5.624 763 H1 GLY 1 H1 GLY 1 -15.248 2.948 38.023 764 H2 GLY 1 H2 GLY 1 -14.269 3.620 39.152 765 H3 GLY 1 H3 GLY 1 -13.916 3.779 37.559 766 HA2 GLY 1 HA2 GLY 1 -16.269 4.937 38.907 767 HA3 GLY 1 HA3 GLY 1 -14.819 5.838 38.431 768 H SER 2 H SER 2 -17.727 6.020 37.593 769 HA SER 2 HA SER 2 -18.027 5.172 34.884 770 HB2 SER 2 HB2 SER 2 -19.371 7.496 36.314 771 HB3 SER 2 HB3 SER 2 -19.951 6.687 34.849 772 HG SER 2 HG SER 2 -20.300 4.811 36.035 773 H HIS 3 H HIS 3 -17.981 6.315 32.927 774 HA HIS 3 HA HIS 3 -15.856 8.204 32.534 775 HB2 HIS 3 HB2 HIS 3 -16.541 6.587 30.838 776 HB3 HIS 3 HB3 HIS 3 -18.142 7.320 30.737 777 HD1 HIS 3 HD1 HIS 3 -18.237 9.806 29.520 778 HD2 HIS 3 HD2 HIS 3 -14.575 7.728 29.449 779 HE1 HIS 3 HE1 HIS 3 -16.778 10.986 27.795 780 H MET 4 H MET 4 -15.828 10.379 32.373 781 HA MET 4 HA MET 4 -18.327 11.972 32.305 782 HB2 MET 4 HB2 MET 4 -17.758 13.226 34.297 783 HB3 MET 4 HB3 MET 4 -17.876 11.513 34.676 784 HG2 MET 4 HG2 MET 4 -15.365 11.357 34.565 785 HG3 MET 4 HG3 MET 4 -15.305 13.092 34.259 786 HE1 MET 4 HE1 MET 4 -16.413 11.050 38.272 787 HE2 MET 4 HE2 MET 4 -17.461 10.872 36.851 788 HE3 MET 4 HE3 MET 4 -15.804 10.225 36.821 789 H GLU 5 H GLU 5 -15.608 11.528 30.705 790 HA GLU 5 HA GLU 5 -14.427 14.189 30.624 791 HB2 GLU 5 HB2 GLU 5 -14.148 12.021 28.529 792 HB3 GLU 5 HB3 GLU 5 -13.051 13.350 28.875 793 HG2 GLU 5 HG2 GLU 5 -13.554 10.900 30.617 794 HG3 GLU 5 HG3 GLU 5 -12.132 11.230 29.642 795 H TYR 6 H TYR 6 -14.458 15.643 28.855 796 HA TYR 6 HA TYR 6 -15.359 16.945 27.292 797 HB2 TYR 6 HB2 TYR 6 -16.016 14.339 25.916 798 HB3 TYR 6 HB3 TYR 6 -15.827 15.924 25.161 799 HD1 TYR 6 HD1 TYR 6 -13.641 17.183 25.495 800 HD2 TYR 6 HD2 TYR 6 -14.059 12.965 26.257 801 HE1 TYR 6 HE1 TYR 6 -11.183 16.952 25.512 802 HE2 TYR 6 HE2 TYR 6 -11.579 12.736 26.348 803 HH TYR 6 HH TYR 6 -9.574 13.838 26.339 804 H ASP 7 H ASP 7 -17.248 16.271 29.393 805 HA ASP 7 HA ASP 7 -19.902 16.803 28.302 806 HB2 ASP 7 HB2 ASP 7 -20.579 17.012 30.596 807 HB3 ASP 7 HB3 ASP 7 -19.501 15.632 30.468 808 H GLY 8 H GLY 8 -17.438 18.667 27.882 809 HA2 GLY 8 HA2 GLY 8 -17.788 21.167 27.421 810 HA3 GLY 8 HA3 GLY 8 -18.385 21.237 29.085 811 H GLN 9 H GLN 9 -16.331 19.119 29.871 812 HA GLN 9 HA GLN 9 -13.962 20.699 30.376 813 HB2 GLN 9 HB2 GLN 9 -14.687 19.107 31.941 814 HB3 GLN 9 HB3 GLN 9 -14.829 17.822 30.769 815 HG2 GLN 9 HG2 GLN 9 -12.057 18.937 31.243 816 HG3 GLN 9 HG3 GLN 9 -12.825 18.063 32.547 817 HE21 GLN 9 HE21 GLN 9 -11.330 15.190 31.159 818 HE22 GLN 9 HE22 GLN 9 -10.981 16.540 32.236 819 H LEU 10 H LEU 10 -11.855 20.343 29.595 820 HA LEU 10 HA LEU 10 -11.387 18.687 27.211 821 HB2 LEU 10 HB2 LEU 10 -12.029 20.991 26.450 822 HB3 LEU 10 HB3 LEU 10 -10.645 21.650 27.317 823 HG LEU 10 HG LEU 10 -10.544 21.547 24.897 824 HD11 LEU 10 HD11 LEU 10 -8.337 19.741 25.681 825 HD12 LEU 10 HD12 LEU 10 -8.464 21.343 26.434 826 HD13 LEU 10 HD13 LEU 10 -8.374 21.201 24.668 827 HD21 LEU 10 HD21 LEU 10 -10.015 18.609 24.851 828 HD22 LEU 10 HD22 LEU 10 -10.778 19.656 23.649 829 HD23 LEU 10 HD23 LEU 10 -11.698 19.150 25.027 830 H ASP 11 H ASP 11 -9.323 17.845 27.144 831 HA ASP 11 HA ASP 11 -7.805 17.832 29.563 832 HB2 ASP 11 HB2 ASP 11 -8.024 16.160 27.450 833 HB3 ASP 11 HB3 ASP 11 -6.577 17.001 26.964 834 H SER 12 H SER 12 -6.104 19.070 30.226 835 HA SER 12 HA SER 12 -5.728 21.620 29.141 836 HB2 SER 12 HB2 SER 12 -3.735 20.117 30.843 837 HB3 SER 12 HB3 SER 12 -3.893 21.882 30.685 838 HG SER 12 HG SER 12 -5.893 21.772 31.707 839 H GLU 13 H GLU 13 -4.035 18.727 28.257 840 HA GLU 13 HA GLU 13 -1.749 19.781 26.897 841 HB2 GLU 13 HB2 GLU 13 -3.379 17.221 26.674 842 HB3 GLU 13 HB3 GLU 13 -1.933 17.499 25.724 843 HG2 GLU 13 HG2 GLU 13 -2.071 17.548 28.772 844 HG3 GLU 13 HG3 GLU 13 -1.558 16.166 27.814 845 H TRP 14 H TRP 14 -5.125 19.427 25.858 846 HA TRP 14 HA TRP 14 -4.351 20.180 23.097 847 HB2 TRP 14 HB2 TRP 14 -7.177 19.634 23.741 848 HB3 TRP 14 HB3 TRP 14 -6.247 19.295 22.292 849 HD1 TRP 14 HD1 TRP 14 -8.020 17.516 24.751 850 HE1 TRP 14 HE1 TRP 14 -7.085 15.189 25.294 851 HE3 TRP 14 HE3 TRP 14 -3.492 17.869 22.389 852 HZ2 TRP 14 HZ2 TRP 14 -4.719 13.642 24.714 853 HZ3 TRP 14 HZ3 TRP 14 -1.937 15.931 22.343 854 HH2 TRP 14 HH2 TRP 14 -2.535 13.817 23.507 855 H GLU 15 H GLU 15 -6.102 21.450 25.856 856 HA GLU 15 HA GLU 15 -7.152 23.881 24.834 857 HB2 GLU 15 HB2 GLU 15 -7.716 23.326 27.044 858 HB3 GLU 15 HB3 GLU 15 -6.048 22.964 27.487 859 HG2 GLU 15 HG2 GLU 15 -5.487 25.366 27.420 860 HG3 GLU 15 HG3 GLU 15 -7.174 25.744 27.037 861 H LYS 16 H LYS 16 -3.897 23.116 26.054 862 HA LYS 16 HA LYS 16 -2.850 25.767 25.566 863 HB2 LYS 16 HB2 LYS 16 -0.669 24.872 26.027 864 HB3 LYS 16 HB3 LYS 16 -1.870 24.349 27.202 865 HG2 LYS 16 HG2 LYS 16 -0.933 22.353 26.970 866 HG3 LYS 16 HG3 LYS 16 -1.967 22.223 25.551 867 HD2 LYS 16 HD2 LYS 16 -0.075 22.995 24.112 868 HD3 LYS 16 HD3 LYS 16 0.927 23.200 25.565 869 HE2 LYS 16 HE2 LYS 16 0.523 20.733 26.072 870 HE3 LYS 16 HE3 LYS 16 -0.208 20.588 24.473 871 HZ1 LYS 16 HZ1 LYS 16 2.588 21.429 25.022 872 HZ2 LYS 16 HZ2 LYS 16 1.930 21.325 23.528 873 HZ3 LYS 16 HZ3 LYS 16 2.128 19.979 24.440 874 H LEU 17 H LEU 17 -3.090 22.990 23.426 875 HA LEU 17 HA LEU 17 -1.393 24.054 21.322 876 HB2 LEU 17 HB2 LEU 17 -3.647 22.018 21.269 877 HB3 LEU 17 HB3 LEU 17 -2.598 22.322 19.910 878 HG LEU 17 HG LEU 17 -1.479 21.438 22.590 879 HD11 LEU 17 HD11 LEU 17 -1.945 19.579 20.259 880 HD12 LEU 17 HD12 LEU 17 -3.238 19.853 21.452 881 HD13 LEU 17 HD13 LEU 17 -1.669 19.214 21.977 882 HD21 LEU 17 HD21 LEU 17 0.364 20.604 21.199 883 HD22 LEU 17 HD22 LEU 17 0.175 22.365 21.065 884 HD23 LEU 17 HD23 LEU 17 -0.438 21.300 19.771 885 H VAL 18 H VAL 18 -4.994 24.043 21.773 886 HA VAL 18 HA VAL 18 -5.421 25.617 19.378 887 HB VAL 18 HB VAL 18 -7.189 24.265 20.282 888 HG11 VAL 18 HG11 VAL 18 -6.813 24.439 22.653 889 HG12 VAL 18 HG12 VAL 18 -7.175 26.160 22.648 890 HG13 VAL 18 HG13 VAL 18 -8.466 24.991 22.295 891 HG21 VAL 18 HG21 VAL 18 -7.771 26.348 18.982 892 HG22 VAL 18 HG22 VAL 18 -9.028 25.769 20.099 893 HG23 VAL 18 HG23 VAL 18 -8.047 27.174 20.530 894 H ARG 19 H ARG 19 -5.116 26.668 22.811 895 HA ARG 19 HA ARG 19 -5.362 29.442 22.308 896 HB2 ARG 19 HB2 ARG 19 -5.451 28.107 24.485 897 HB3 ARG 19 HB3 ARG 19 -3.681 28.071 24.461 898 HG2 ARG 19 HG2 ARG 19 -3.610 30.513 24.665 899 HG3 ARG 19 HG3 ARG 19 -5.359 30.596 24.361 900 HD2 ARG 19 HD2 ARG 19 -4.883 30.939 26.710 901 HD3 ARG 19 HD3 ARG 19 -5.906 29.537 26.408 902 HE ARG 19 HE ARG 19 -2.974 29.096 26.744 903 HH11 ARG 19 HH11 ARG 19 -3.622 26.652 29.098 904 HH12 ARG 19 HH12 ARG 19 -2.415 27.335 28.039 905 HH21 ARG 19 HH21 ARG 19 -5.630 27.345 29.159 906 HH22 ARG 19 HH22 ARG 19 -6.093 28.844 28.362 907 H ASP 20 H ASP 20 -2.420 27.434 22.241 908 HA ASP 20 HA ASP 20 -0.541 29.447 21.513 909 HB2 ASP 20 HB2 ASP 20 -0.875 26.473 21.178 910 HB3 ASP 20 HB3 ASP 20 0.417 27.271 20.286 911 H ALA 21 H ALA 21 -2.713 27.461 19.402 912 HA ALA 21 HA ALA 21 -1.737 28.554 16.935 913 HB1 ALA 21 HB1 ALA 21 -3.141 26.524 17.110 914 HB2 ALA 21 HB2 ALA 21 -4.527 27.520 17.610 915 HB3 ALA 21 HB3 ALA 21 -3.840 27.709 15.995 916 H MET 22 H MET 22 -4.460 29.590 19.049 917 HA MET 22 HA MET 22 -5.262 31.802 17.500 918 HB2 MET 22 HB2 MET 22 -5.398 31.519 20.507 919 HB3 MET 22 HB3 MET 22 -6.235 32.717 19.525 920 HG2 MET 22 HG2 MET 22 -7.041 29.993 20.147 921 HG3 MET 22 HG3 MET 22 -7.945 31.332 19.630 922 HE1 MET 22 HE1 MET 22 -8.779 31.080 16.169 923 HE2 MET 22 HE2 MET 22 -8.553 32.064 17.630 924 HE3 MET 22 HE3 MET 22 -7.252 31.981 16.425 925 H THR 23 H THR 23 -2.817 31.763 20.186 926 HA THR 23 HA THR 23 -2.262 34.581 19.900 927 HB THR 23 HB THR 23 -0.332 34.183 21.364 928 HG1 THR 23 HG1 THR 23 0.003 32.133 22.184 929 HG21 THR 23 HG21 THR 23 -2.918 32.867 22.284 930 HG22 THR 23 HG22 THR 23 -2.517 34.592 22.342 931 HG23 THR 23 HG23 THR 23 -1.609 33.447 23.343 932 H SER 24 H SER 24 -0.723 31.722 18.393 933 HA SER 24 HA SER 24 1.359 33.419 17.246 934 HB2 SER 24 HB2 SER 24 1.642 31.019 17.920 935 HB3 SER 24 HB3 SER 24 0.755 30.571 16.445 936 HG SER 24 HG SER 24 2.306 31.784 15.267 937 H GLY 25 H GLY 25 -1.805 33.427 16.464 938 HA2 GLY 25 HA2 GLY 25 -2.902 34.408 14.704 939 HA3 GLY 25 HA3 GLY 25 -1.344 34.740 13.944 940 H VAL 26 H VAL 26 -2.188 31.435 14.712 941 HA VAL 26 HA VAL 26 -1.947 30.427 12.019 942 HB VAL 26 HB VAL 26 -2.976 29.325 14.614 943 HG11 VAL 26 HG11 VAL 26 -4.228 27.937 13.338 944 HG12 VAL 26 HG12 VAL 26 -3.051 27.881 12.032 945 HG13 VAL 26 HG13 VAL 26 -2.719 27.029 13.561 946 HG21 VAL 26 HG21 VAL 26 -0.551 29.720 14.462 947 HG22 VAL 26 HG22 VAL 26 -0.872 27.986 14.474 948 HG23 VAL 26 HG23 VAL 26 -0.480 28.797 12.950 949 H SER 27 H SER 27 -3.492 29.743 10.553 950 HA SER 27 HA SER 27 -5.680 31.394 10.142 951 HB2 SER 27 HB2 SER 27 -5.216 28.608 9.052 952 HB3 SER 27 HB3 SER 27 -6.398 29.772 8.417 953 HG SER 27 HG SER 27 -4.506 29.952 7.227 954 H LYS 28 H LYS 28 -7.409 31.612 11.416 955 HA LYS 28 HA LYS 28 -8.326 29.632 13.197 956 HB2 LYS 28 HB2 LYS 28 -10.117 31.139 13.765 957 HB3 LYS 28 HB3 LYS 28 -8.608 32.023 13.575 958 HG2 LYS 28 HG2 LYS 28 -9.357 32.770 11.299 959 HG3 LYS 28 HG3 LYS 28 -10.897 31.922 11.553 960 HD2 LYS 28 HD2 LYS 28 -11.315 33.315 13.572 961 HD3 LYS 28 HD3 LYS 28 -9.820 34.205 13.280 962 HE2 LYS 28 HE2 LYS 28 -12.160 34.041 11.319 963 HE3 LYS 28 HE3 LYS 28 -11.956 35.328 12.509 964 HZ1 LYS 28 HZ1 LYS 28 -11.071 36.008 10.376 965 HZ2 LYS 28 HZ2 LYS 28 -10.044 34.745 10.310 966 HZ3 LYS 28 HZ3 LYS 28 -9.844 35.910 11.442 967 H LYS 29 H LYS 29 -9.386 30.176 9.825 968 HA LYS 29 HA LYS 29 -11.668 28.410 9.993 969 HB2 LYS 29 HB2 LYS 29 -11.596 28.462 7.589 970 HB3 LYS 29 HB3 LYS 29 -11.403 30.089 8.246 971 HG2 LYS 29 HG2 LYS 29 -8.766 29.226 7.915 972 HG3 LYS 29 HG3 LYS 29 -9.599 28.384 6.613 973 HD2 LYS 29 HD2 LYS 29 -9.644 31.378 7.206 974 HD3 LYS 29 HD3 LYS 29 -8.645 30.608 5.959 975 HE2 LYS 29 HE2 LYS 29 -10.694 29.819 4.784 976 HE3 LYS 29 HE3 LYS 29 -11.702 30.603 6.004 977 HZ1 LYS 29 HZ1 LYS 29 -9.818 32.020 4.191 978 HZ2 LYS 29 HZ2 LYS 29 -10.753 32.744 5.322 979 HZ3 LYS 29 HZ3 LYS 29 -11.442 32.006 4.043 980 H GLN 30 H GLN 30 -8.196 27.864 9.342 981 HA GLN 30 HA GLN 30 -8.505 25.196 8.388 982 HB2 GLN 30 HB2 GLN 30 -6.132 26.505 9.779 983 HB3 GLN 30 HB3 GLN 30 -6.123 24.906 9.054 984 HG2 GLN 30 HG2 GLN 30 -6.603 27.479 7.532 985 HG3 GLN 30 HG3 GLN 30 -5.085 26.561 7.606 986 HE21 GLN 30 HE21 GLN 30 -6.403 27.199 5.141 987 HE22 GLN 30 HE22 GLN 30 -6.906 25.659 4.458 988 H PHE 31 H PHE 31 -8.355 26.442 11.703 989 HA PHE 31 HA PHE 31 -8.071 23.944 13.068 990 HB2 PHE 31 HB2 PHE 31 -8.570 26.643 13.766 991 HB3 PHE 31 HB3 PHE 31 -9.942 25.756 14.388 992 HD1 PHE 31 HD1 PHE 31 -9.675 24.212 16.258 993 HD2 PHE 31 HD2 PHE 31 -6.212 26.047 14.441 994 HE1 PHE 31 HE1 PHE 31 -8.248 23.346 18.074 995 HE2 PHE 31 HE2 PHE 31 -4.778 25.078 16.200 996 HZ PHE 31 HZ PHE 31 -5.759 23.703 17.999 997 H ARG 32 H ARG 32 -11.108 25.516 12.002 998 HA ARG 32 HA ARG 32 -12.780 23.220 12.528 999 HB2 ARG 32 HB2 ARG 32 -13.738 25.448 12.409 1000 HB3 ARG 32 HB3 ARG 32 -13.105 25.694 10.789 1001 HG2 ARG 32 HG2 ARG 32 -15.489 25.266 10.686 1002 HG3 ARG 32 HG3 ARG 32 -14.606 23.992 9.872 1003 HD2 ARG 32 HD2 ARG 32 -14.827 22.635 12.070 1004 HD3 ARG 32 HD3 ARG 32 -16.011 23.833 12.581 1005 HE ARG 32 HE ARG 32 -16.233 21.746 10.511 1006 HH11 ARG 32 HH11 ARG 32 -17.864 24.685 11.575 1007 HH12 ARG 32 HH12 ARG 32 -19.278 24.285 10.638 1008 HH21 ARG 32 HH21 ARG 32 -17.841 21.430 9.316 1009 HH22 ARG 32 HH22 ARG 32 -19.295 22.424 9.360 1010 H GLU 33 H GLU 33 -11.335 24.402 9.481 1011 HA GLU 33 HA GLU 33 -12.458 22.340 7.898 1012 HB2 GLU 33 HB2 GLU 33 -9.844 23.710 7.312 1013 HB3 GLU 33 HB3 GLU 33 -10.890 22.843 6.194 1014 HG2 GLU 33 HG2 GLU 33 -11.171 25.566 7.284 1015 HG3 GLU 33 HG3 GLU 33 -11.352 25.012 5.628 1016 H PHE 34 H PHE 34 -9.312 22.328 9.645 1017 HA PHE 34 HA PHE 34 -8.526 19.743 8.661 1018 HB2 PHE 34 HB2 PHE 34 -7.043 21.640 9.536 1019 HB3 PHE 34 HB3 PHE 34 -7.437 21.065 11.154 1020 HD1 PHE 34 HD1 PHE 34 -5.323 20.740 8.286 1021 HD2 PHE 34 HD2 PHE 34 -6.908 18.484 11.612 1022 HE1 PHE 34 HE1 PHE 34 -3.539 19.042 7.984 1023 HE2 PHE 34 HE2 PHE 34 -5.180 16.760 11.242 1024 HZ PHE 34 HZ PHE 34 -3.466 17.039 9.460 1025 H LEU 35 H LEU 35 -10.240 20.872 11.630 1026 HA LEU 35 HA LEU 35 -10.556 18.368 12.920 1027 HB2 LEU 35 HB2 LEU 35 -11.811 20.971 12.974 1028 HB3 LEU 35 HB3 LEU 35 -13.104 19.812 12.848 1029 HG LEU 35 HG LEU 35 -12.705 20.309 15.175 1030 HD11 LEU 35 HD11 LEU 35 -12.607 18.178 16.026 1031 HD12 LEU 35 HD12 LEU 35 -11.450 17.593 14.809 1032 HD13 LEU 35 HD13 LEU 35 -13.149 17.889 14.379 1033 HD21 LEU 35 HD21 LEU 35 -10.442 21.144 14.946 1034 HD22 LEU 35 HD22 LEU 35 -9.839 19.496 14.715 1035 HD23 LEU 35 HD23 LEU 35 -10.604 19.979 16.255 1036 H ASP 36 H ASP 36 -12.630 19.813 10.382 1037 HA ASP 36 HA ASP 36 -14.214 17.484 9.999 1038 HB2 ASP 36 HB2 ASP 36 -13.745 19.868 8.227 1039 HB3 ASP 36 HB3 ASP 36 -14.900 18.582 7.878 1040 H TYR 37 H TYR 37 -11.164 18.462 8.401 1041 HA TYR 37 HA TYR 37 -11.025 16.457 6.425 1042 HB2 TYR 37 HB2 TYR 37 -9.428 18.284 6.530 1043 HB3 TYR 37 HB3 TYR 37 -8.872 17.755 8.101 1044 HD1 TYR 37 HD1 TYR 37 -6.555 17.659 7.594 1045 HD2 TYR 37 HD2 TYR 37 -9.397 15.360 5.304 1046 HE1 TYR 37 HE1 TYR 37 -4.690 16.341 6.589 1047 HE2 TYR 37 HE2 TYR 37 -7.553 14.114 4.273 1048 HH TYR 37 HH TYR 37 -4.202 14.343 5.328 1049 H GLN 38 H GLN 38 -9.694 16.260 9.816 1050 HA GLN 38 HA GLN 38 -9.044 13.445 9.474 1051 HB2 GLN 38 HB2 GLN 38 -9.416 15.085 12.004 1052 HB3 GLN 38 HB3 GLN 38 -8.823 13.419 11.951 1053 HG2 GLN 38 HG2 GLN 38 -7.466 15.876 10.798 1054 HG3 GLN 38 HG3 GLN 38 -6.926 14.896 12.171 1055 HE21 GLN 38 HE21 GLN 38 -5.847 15.554 9.243 1056 HE22 GLN 38 HE22 GLN 38 -5.268 13.965 8.781 1057 H LYS 39 H LYS 39 -11.897 15.103 10.903 1058 HA LYS 39 HA LYS 39 -13.383 12.826 11.738 1059 HB2 LYS 39 HB2 LYS 39 -14.109 15.520 10.604 1060 HB3 LYS 39 HB3 LYS 39 -15.364 14.345 10.927 1061 HG2 LYS 39 HG2 LYS 39 -15.050 14.355 13.207 1062 HG3 LYS 39 HG3 LYS 39 -13.473 15.155 13.200 1063 HD2 LYS 39 HD2 LYS 39 -14.455 17.243 12.537 1064 HD3 LYS 39 HD3 LYS 39 -15.970 16.475 12.037 1065 HE2 LYS 39 HE2 LYS 39 -16.454 15.929 14.422 1066 HE3 LYS 39 HE3 LYS 39 -15.000 16.810 14.904 1067 HZ1 LYS 39 HZ1 LYS 39 -16.014 18.769 13.684 1068 HZ2 LYS 39 HZ2 LYS 39 -16.904 18.326 14.991 1069 HZ3 LYS 39 HZ3 LYS 39 -17.376 17.900 13.473 1070 H TRP 40 H TRP 40 -13.169 14.216 8.421 1071 HA TRP 40 HA TRP 40 -15.024 12.730 7.048 1072 HB2 TRP 40 HB2 TRP 40 -13.237 14.542 6.320 1073 HB3 TRP 40 HB3 TRP 40 -12.312 13.173 5.788 1074 HD1 TRP 40 HD1 TRP 40 -13.549 11.635 3.850 1075 HE1 TRP 40 HE1 TRP 40 -15.223 12.256 2.005 1076 HE3 TRP 40 HE3 TRP 40 -14.937 16.321 5.500 1077 HZ2 TRP 40 HZ2 TRP 40 -16.988 14.425 1.372 1078 HZ3 TRP 40 HZ3 TRP 40 -16.702 17.566 4.297 1079 HH2 TRP 40 HH2 TRP 40 -17.736 16.642 2.254 1080 H ARG 41 H ARG 41 -12.008 11.482 8.250 1081 HA ARG 41 HA ARG 41 -12.504 8.849 6.926 1082 HB2 ARG 41 HB2 ARG 41 -10.420 10.158 6.271 1083 HB3 ARG 41 HB3 ARG 41 -9.855 9.978 7.927 1084 HG2 ARG 41 HG2 ARG 41 -8.836 8.326 6.413 1085 HG3 ARG 41 HG3 ARG 41 -9.775 7.541 7.682 1086 HD2 ARG 41 HD2 ARG 41 -10.091 6.455 5.484 1087 HD3 ARG 41 HD3 ARG 41 -11.602 7.091 6.134 1088 HE ARG 41 HE ARG 41 -10.043 8.773 4.207 1089 HH11 ARG 41 HH11 ARG 41 -12.947 6.817 4.571 1090 HH12 ARG 41 HH12 ARG 41 -13.660 7.541 3.155 1091 HH21 ARG 41 HH21 ARG 41 -10.894 9.535 2.546 1092 HH22 ARG 41 HH22 ARG 41 -12.501 9.075 1.970 1093 H LYS 42 H LYS 42 -11.500 10.366 9.994 1094 HA LYS 42 HA LYS 42 -11.350 7.852 11.464 1095 HB2 LYS 42 HB2 LYS 42 -11.518 10.721 12.469 1096 HB3 LYS 42 HB3 LYS 42 -11.097 9.316 13.432 1097 HG2 LYS 42 HG2 LYS 42 -9.431 10.487 11.157 1098 HG3 LYS 42 HG3 LYS 42 -9.130 10.599 12.878 1099 HD2 LYS 42 HD2 LYS 42 -7.666 8.952 12.367 1100 HD3 LYS 42 HD3 LYS 42 -9.065 7.953 12.768 1101 HE2 LYS 42 HE2 LYS 42 -9.599 7.822 10.299 1102 HE3 LYS 42 HE3 LYS 42 -8.173 8.806 9.955 1103 HZ1 LYS 42 HZ1 LYS 42 -6.806 7.046 10.954 1104 HZ2 LYS 42 HZ2 LYS 42 -7.683 6.435 9.723 1105 HZ3 LYS 42 HZ3 LYS 42 -8.123 6.133 11.265 1106 H SER 43 H SER 43 -14.004 10.095 10.893 1107 HA SER 43 HA SER 43 -15.821 8.187 12.316 1108 HB2 SER 43 HB2 SER 43 -17.111 10.031 13.184 1109 HB3 SER 43 HB3 SER 43 -15.427 10.180 13.713 1110 HG SER 43 HG SER 43 -16.127 12.177 12.972 1111 H GLN 44 H GLN 44 -15.312 10.284 9.546 1112 HA GLN 44 HA GLN 44 -16.176 10.300 7.521 1113 HB2 GLN 44 HB2 GLN 44 -16.071 7.690 8.236 1114 HB3 GLN 44 HB3 GLN 44 -17.760 7.794 7.745 1115 HG2 GLN 44 HG2 GLN 44 -15.228 8.293 6.137 1116 HG3 GLN 44 HG3 GLN 44 -16.394 7.014 5.923 1117 HE21 GLN 44 HE21 GLN 44 -15.576 10.307 5.045 1118 HE22 GLN 44 HE22 GLN 44 -16.926 10.474 3.897 1119 H LYS 45 H LYS 45 -17.692 11.605 9.709 1120 HA LYS 45 HA LYS 45 -20.492 11.630 9.037 1121 HB2 LYS 45 HB2 LYS 45 -18.645 13.637 10.376 1122 HB3 LYS 45 HB3 LYS 45 -20.404 13.794 10.345 1123 HG2 LYS 45 HG2 LYS 45 -20.767 11.962 11.762 1124 HG3 LYS 45 HG3 LYS 45 -19.168 11.255 11.464 1125 HD2 LYS 45 HD2 LYS 45 -18.069 13.096 12.579 1126 HD3 LYS 45 HD3 LYS 45 -19.628 13.892 12.910 1127 HE2 LYS 45 HE2 LYS 45 -20.359 11.938 14.246 1128 HE3 LYS 45 HE3 LYS 45 -18.832 11.116 13.909 1129 HZ1 LYS 45 HZ1 LYS 45 -17.670 12.884 15.108 1130 HZ2 LYS 45 HZ2 LYS 45 -18.802 12.212 16.079 1131 HZ3 LYS 45 HZ3 LYS 45 -19.082 13.672 15.403 1132 H GLU 46 H GLU 46 -17.797 13.182 7.492 1133 HA GLU 46 HA GLU 46 -17.560 14.673 5.803 1134 HB2 GLU 46 HB2 GLU 46 -20.272 13.678 4.873 1135 HB3 GLU 46 HB3 GLU 46 -19.039 14.504 3.908 1136 HG2 GLU 46 HG2 GLU 46 -17.442 12.612 4.621 1137 HG3 GLU 46 HG3 GLU 46 -18.882 11.745 5.158 1138 H GLU 47 H GLU 47 -18.237 15.923 8.082 1139 HA GLU 47 HA GLU 47 -20.272 17.964 7.770 1140 HB2 GLU 47 HB2 GLU 47 -17.866 17.818 9.631 1141 HB3 GLU 47 HB3 GLU 47 -19.170 19.013 9.714 1142 HG2 GLU 47 HG2 GLU 47 -20.798 17.033 9.903 1143 HG3 GLU 47 HG3 GLU 47 -19.380 16.018 10.179 1144 H1 GLY 1 H1 GLY 1 -13.913 47.047 19.107 1145 H2 GLY 1 H2 GLY 1 -15.197 46.229 18.497 1146 H3 GLY 1 H3 GLY 1 -13.704 45.554 18.470 1147 HA2 GLY 1 HA2 GLY 1 -15.272 46.165 20.893 1148 HA3 GLY 1 HA3 GLY 1 -15.025 44.548 20.208 1149 H SER 2 H SER 2 -14.185 44.066 22.386 1150 HA SER 2 HA SER 2 -11.836 45.235 23.483 1151 HB2 SER 2 HB2 SER 2 -12.889 42.406 23.851 1152 HB3 SER 2 HB3 SER 2 -11.778 43.263 24.933 1153 HG SER 2 HG SER 2 -13.416 44.714 25.446 1154 H HIS 3 H HIS 3 -9.685 44.561 23.580 1155 HA HIS 3 HA HIS 3 -8.566 43.390 21.190 1156 HB2 HIS 3 HB2 HIS 3 -7.465 45.195 22.408 1157 HB3 HIS 3 HB3 HIS 3 -7.312 44.176 23.841 1158 HD1 HIS 3 HD1 HIS 3 -5.168 42.663 23.953 1159 HD2 HIS 3 HD2 HIS 3 -5.972 44.342 20.170 1160 HE1 HIS 3 HE1 HIS 3 -3.227 41.987 22.436 1161 H MET 4 H MET 4 -7.286 41.515 20.989 1162 HA MET 4 HA MET 4 -8.333 39.143 22.356 1163 HB2 MET 4 HB2 MET 4 -6.264 39.487 20.157 1164 HB3 MET 4 HB3 MET 4 -6.901 37.944 20.720 1165 HG2 MET 4 HG2 MET 4 -8.540 40.153 19.406 1166 HG3 MET 4 HG3 MET 4 -7.915 38.713 18.625 1167 HE1 MET 4 HE1 MET 4 -10.921 40.318 20.113 1168 HE2 MET 4 HE2 MET 4 -11.786 39.063 21.024 1169 HE3 MET 4 HE3 MET 4 -10.323 39.796 21.703 1170 H GLU 5 H GLU 5 -7.603 39.592 24.499 1171 HA GLU 5 HA GLU 5 -4.878 39.980 25.191 1172 HB2 GLU 5 HB2 GLU 5 -7.238 38.962 26.813 1173 HB3 GLU 5 HB3 GLU 5 -5.672 39.350 27.507 1174 HG2 GLU 5 HG2 GLU 5 -7.503 41.318 26.067 1175 HG3 GLU 5 HG3 GLU 5 -7.322 41.167 27.808 1176 H TYR 6 H TYR 6 -6.724 37.059 25.255 1177 HA TYR 6 HA TYR 6 -6.223 34.845 25.657 1178 HB2 TYR 6 HB2 TYR 6 -4.195 35.804 23.665 1179 HB3 TYR 6 HB3 TYR 6 -4.110 34.150 24.240 1180 HD1 TYR 6 HD1 TYR 6 -6.455 36.581 22.640 1181 HD2 TYR 6 HD2 TYR 6 -5.573 32.494 23.586 1182 HE1 TYR 6 HE1 TYR 6 -8.305 35.831 21.127 1183 HE2 TYR 6 HE2 TYR 6 -7.358 31.708 22.060 1184 HH TYR 6 HH TYR 6 -9.422 34.076 20.262 1185 H ASP 7 H ASP 7 -5.328 36.454 27.805 1186 HA ASP 7 HA ASP 7 -2.911 35.260 28.903 1187 HB2 ASP 7 HB2 ASP 7 -3.685 37.577 29.391 1188 HB3 ASP 7 HB3 ASP 7 -5.072 36.918 30.258 1189 H GLY 8 H GLY 8 -4.201 33.150 28.124 1190 HA2 GLY 8 HA2 GLY 8 -4.521 30.985 29.139 1191 HA3 GLY 8 HA3 GLY 8 -5.193 31.745 30.578 1192 H GLN 9 H GLN 9 -6.852 33.561 28.752 1193 HA GLN 9 HA GLN 9 -9.276 32.094 28.454 1194 HB2 GLN 9 HB2 GLN 9 -9.276 34.464 28.675 1195 HB3 GLN 9 HB3 GLN 9 -8.204 34.707 27.312 1196 HG2 GLN 9 HG2 GLN 9 -10.809 33.361 26.663 1197 HG3 GLN 9 HG3 GLN 9 -10.925 34.998 27.277 1198 HE21 GLN 9 HE21 GLN 9 -8.321 33.685 25.028 1199 HE22 GLN 9 HE22 GLN 9 -8.741 34.844 23.788 1200 H LEU 10 H LEU 10 -10.172 30.985 26.781 1201 HA LEU 10 HA LEU 10 -8.945 31.131 24.091 1202 HB2 LEU 10 HB2 LEU 10 -8.329 28.971 25.241 1203 HB3 LEU 10 HB3 LEU 10 -10.048 28.563 25.318 1204 HG LEU 10 HG LEU 10 -8.658 27.423 23.670 1205 HD11 LEU 10 HD11 LEU 10 -11.171 28.001 23.286 1206 HD12 LEU 10 HD12 LEU 10 -10.160 27.218 22.057 1207 HD13 LEU 10 HD13 LEU 10 -10.513 28.961 21.946 1208 HD21 LEU 10 HD21 LEU 10 -7.323 29.628 23.294 1209 HD22 LEU 10 HD22 LEU 10 -8.551 29.963 22.048 1210 HD23 LEU 10 HD23 LEU 10 -7.522 28.533 21.945 1211 H ASP 11 H ASP 11 -10.392 31.512 22.486 1212 HA ASP 11 HA ASP 11 -13.032 32.346 23.126 1213 HB2 ASP 11 HB2 ASP 11 -11.354 32.748 21.045 1214 HB3 ASP 11 HB3 ASP 11 -12.333 31.496 20.337 1215 H SER 12 H SER 12 -14.974 31.277 23.160 1216 HA SER 12 HA SER 12 -15.005 28.508 23.554 1217 HB2 SER 12 HB2 SER 12 -17.360 30.181 22.687 1218 HB3 SER 12 HB3 SER 12 -17.399 28.638 23.577 1219 HG SER 12 HG SER 12 -16.466 29.653 25.346 1220 H GLU 13 H GLU 13 -15.362 30.213 20.542 1221 HA GLU 13 HA GLU 13 -16.431 28.211 18.823 1222 HB2 GLU 13 HB2 GLU 13 -14.580 30.591 18.428 1223 HB3 GLU 13 HB3 GLU 13 -15.150 29.615 17.088 1224 HG2 GLU 13 HG2 GLU 13 -16.926 31.094 19.078 1225 HG3 GLU 13 HG3 GLU 13 -16.494 31.690 17.480 1226 H TRP 14 H TRP 14 -13.136 28.606 20.068 1227 HA TRP 14 HA TRP 14 -12.201 26.466 18.242 1228 HB2 TRP 14 HB2 TRP 14 -10.261 27.808 19.998 1229 HB3 TRP 14 HB3 TRP 14 -10.101 27.193 18.363 1230 HD1 TRP 14 HD1 TRP 14 -9.912 30.274 20.069 1231 HE1 TRP 14 HE1 TRP 14 -10.610 32.318 18.683 1232 HE3 TRP 14 HE3 TRP 14 -12.152 27.886 16.132 1233 HZ2 TRP 14 HZ2 TRP 14 -12.000 32.860 16.211 1234 HZ3 TRP 14 HZ3 TRP 14 -13.145 29.186 14.264 1235 HH2 TRP 14 HH2 TRP 14 -13.099 31.670 14.302 1236 H GLU 15 H GLU 15 -12.708 27.105 21.640 1237 HA GLU 15 HA GLU 15 -11.736 24.739 22.874 1238 HB2 GLU 15 HB2 GLU 15 -12.488 26.530 24.219 1239 HB3 GLU 15 HB3 GLU 15 -14.015 26.634 23.359 1240 HG2 GLU 15 HG2 GLU 15 -14.421 25.789 25.512 1241 HG3 GLU 15 HG3 GLU 15 -14.785 24.553 24.324 1242 H LYS 16 H LYS 16 -14.853 25.408 21.295 1243 HA LYS 16 HA LYS 16 -15.915 22.741 21.677 1244 HB2 LYS 16 HB2 LYS 16 -17.695 23.366 20.191 1245 HB3 LYS 16 HB3 LYS 16 -17.356 24.621 21.382 1246 HG2 LYS 16 HG2 LYS 16 -17.512 26.016 19.669 1247 HG3 LYS 16 HG3 LYS 16 -15.844 25.541 19.349 1248 HD2 LYS 16 HD2 LYS 16 -16.638 23.855 17.699 1249 HD3 LYS 16 HD3 LYS 16 -18.321 24.241 18.121 1250 HE2 LYS 16 HE2 LYS 16 -17.820 26.656 17.446 1251 HE3 LYS 16 HE3 LYS 16 -16.295 26.077 16.773 1252 HZ1 LYS 16 HZ1 LYS 16 -19.001 25.182 15.936 1253 HZ2 LYS 16 HZ2 LYS 16 -17.601 24.616 15.302 1254 HZ3 LYS 16 HZ3 LYS 16 -18.031 26.187 15.097 1255 H LEU 17 H LEU 17 -13.889 24.042 19.119 1256 HA LEU 17 HA LEU 17 -14.129 21.781 17.306 1257 HB2 LEU 17 HB2 LEU 17 -11.978 23.888 17.673 1258 HB3 LEU 17 HB3 LEU 17 -11.961 22.721 16.379 1259 HG LEU 17 HG LEU 17 -14.305 24.609 16.802 1260 HD11 LEU 17 HD11 LEU 17 -12.047 24.946 14.818 1261 HD12 LEU 17 HD12 LEU 17 -12.021 25.713 16.408 1262 HD13 LEU 17 HD13 LEU 17 -13.334 26.100 15.281 1263 HD21 LEU 17 HD21 LEU 17 -13.343 22.863 14.510 1264 HD22 LEU 17 HD22 LEU 17 -14.607 24.112 14.352 1265 HD23 LEU 17 HD23 LEU 17 -14.872 22.706 15.401 1266 H VAL 18 H VAL 18 -11.719 22.656 19.863 1267 HA VAL 18 HA VAL 18 -10.210 20.228 19.442 1268 HB VAL 18 HB VAL 18 -9.225 22.195 20.415 1269 HG11 VAL 18 HG11 VAL 18 -10.887 23.133 21.738 1270 HG12 VAL 18 HG12 VAL 18 -11.104 21.704 22.731 1271 HG13 VAL 18 HG13 VAL 18 -9.605 22.661 22.872 1272 HG21 VAL 18 HG21 VAL 18 -9.104 19.972 22.470 1273 HG22 VAL 18 HG22 VAL 18 -8.296 19.893 20.902 1274 HG23 VAL 18 HG23 VAL 18 -7.872 21.174 22.057 1275 H ARG 19 H ARG 19 -12.771 20.923 21.925 1276 HA ARG 19 HA ARG 19 -12.969 18.284 22.965 1277 HB2 ARG 19 HB2 ARG 19 -14.944 20.535 22.440 1278 HB3 ARG 19 HB3 ARG 19 -15.478 18.997 23.176 1279 HG2 ARG 19 HG2 ARG 19 -13.737 19.368 24.945 1280 HG3 ARG 19 HG3 ARG 19 -13.492 21.001 24.298 1281 HD2 ARG 19 HD2 ARG 19 -15.872 19.752 25.685 1282 HD3 ARG 19 HD3 ARG 19 -14.887 21.123 26.176 1283 HE ARG 19 HE ARG 19 -16.790 21.120 23.827 1284 HH11 ARG 19 HH11 ARG 19 -18.324 22.711 23.712 1285 HH12 ARG 19 HH12 ARG 19 -18.275 24.038 24.828 1286 HH21 ARG 19 HH21 ARG 19 -15.451 23.011 26.459 1287 HH22 ARG 19 HH22 ARG 19 -16.783 24.139 26.424 1288 H ASP 20 H ASP 20 -14.528 19.610 20.008 1289 HA ASP 20 HA ASP 20 -15.860 17.242 19.177 1290 HB2 ASP 20 HB2 ASP 20 -14.881 19.762 17.932 1291 HB3 ASP 20 HB3 ASP 20 -15.012 18.413 16.824 1292 H ALA 21 H ALA 21 -12.417 18.206 18.641 1293 HA ALA 21 HA ALA 21 -11.847 15.938 16.971 1294 HB1 ALA 21 HB1 ALA 21 -10.473 17.955 17.013 1295 HB2 ALA 21 HB2 ALA 21 -9.991 17.636 18.695 1296 HB3 ALA 21 HB3 ALA 21 -9.490 16.535 17.404 1297 H MET 22 H MET 22 -11.400 16.502 20.480 1298 HA MET 22 HA MET 22 -10.271 14.002 21.107 1299 HB2 MET 22 HB2 MET 22 -12.058 15.688 22.874 1300 HB3 MET 22 HB3 MET 22 -10.996 14.373 23.369 1301 HG2 MET 22 HG2 MET 22 -10.352 17.183 22.947 1302 HG3 MET 22 HG3 MET 22 -9.565 15.991 23.862 1303 HE1 MET 22 HE1 MET 22 -8.204 13.781 21.650 1304 HE2 MET 22 HE2 MET 22 -6.704 14.685 21.978 1305 HE3 MET 22 HE3 MET 22 -7.908 14.463 23.263 1306 H THR 23 H THR 23 -13.718 14.940 20.945 1307 HA THR 23 HA THR 23 -14.655 12.272 21.690 1308 HB THR 23 HB THR 23 -16.917 13.178 21.280 1309 HG1 THR 23 HG1 THR 23 -15.639 15.663 20.928 1310 HG21 THR 23 HG21 THR 23 -16.923 14.797 23.134 1311 HG22 THR 23 HG22 THR 23 -15.154 14.932 23.034 1312 HG23 THR 23 HG23 THR 23 -15.905 13.396 23.505 1313 H SER 24 H SER 24 -14.330 13.978 18.557 1314 HA SER 24 HA SER 24 -15.769 11.857 17.193 1315 HB2 SER 24 HB2 SER 24 -15.818 14.298 16.545 1316 HB3 SER 24 HB3 SER 24 -14.227 14.065 15.794 1317 HG SER 24 HG SER 24 -15.152 12.307 14.644 1318 H GLY 25 H GLY 25 -12.897 11.510 18.542 1319 HA2 GLY 25 HA2 GLY 25 -11.298 9.869 18.299 1320 HA3 GLY 25 HA3 GLY 25 -12.182 9.252 16.899 1321 H VAL 26 H VAL 26 -11.112 12.570 16.862 1322 HA VAL 26 HA VAL 26 -9.568 12.249 14.438 1323 HB VAL 26 HB VAL 26 -10.038 14.524 16.356 1324 HG11 VAL 26 HG11 VAL 26 -8.010 15.254 15.549 1325 HG12 VAL 26 HG12 VAL 26 -8.297 14.590 13.941 1326 HG13 VAL 26 HG13 VAL 26 -9.203 16.021 14.478 1327 HG21 VAL 26 HG21 VAL 26 -11.967 13.795 14.987 1328 HG22 VAL 26 HG22 VAL 26 -11.414 15.383 14.462 1329 HG23 VAL 26 HG23 VAL 26 -10.990 13.946 13.517 1330 H SER 27 H SER 27 -7.367 12.362 14.089 1331 HA SER 27 HA SER 27 -5.748 10.959 15.867 1332 HB2 SER 27 HB2 SER 27 -5.014 12.713 13.526 1333 HB3 SER 27 HB3 SER 27 -3.826 11.726 14.397 1334 HG SER 27 HG SER 27 -4.801 10.662 12.544 1335 H LYS 28 H LYS 28 -4.974 11.524 17.781 1336 HA LYS 28 HA LYS 28 -5.064 14.190 18.751 1337 HB2 LYS 28 HB2 LYS 28 -3.676 11.737 19.943 1338 HB3 LYS 28 HB3 LYS 28 -3.887 13.283 20.757 1339 HG2 LYS 28 HG2 LYS 28 -5.680 12.202 21.614 1340 HG3 LYS 28 HG3 LYS 28 -6.441 12.969 20.219 1341 HD2 LYS 28 HD2 LYS 28 -6.283 10.807 18.971 1342 HD3 LYS 28 HD3 LYS 28 -5.478 10.075 20.377 1343 HE2 LYS 28 HE2 LYS 28 -7.499 10.615 21.756 1344 HE3 LYS 28 HE3 LYS 28 -8.287 11.272 20.314 1345 HZ1 LYS 28 HZ1 LYS 28 -8.943 8.964 20.715 1346 HZ2 LYS 28 HZ2 LYS 28 -7.398 8.451 20.641 1347 HZ3 LYS 28 HZ3 LYS 28 -8.124 9.051 19.304 1348 H LYS 29 H LYS 29 -2.336 12.455 17.269 1349 HA LYS 29 HA LYS 29 -0.319 14.370 17.991 1350 HB2 LYS 29 HB2 LYS 29 0.986 13.303 16.254 1351 HB3 LYS 29 HB3 LYS 29 0.182 12.104 17.266 1352 HG2 LYS 29 HG2 LYS 29 -1.631 12.444 15.174 1353 HG3 LYS 29 HG3 LYS 29 -0.092 12.740 14.373 1354 HD2 LYS 29 HD2 LYS 29 -0.861 10.300 16.037 1355 HD3 LYS 29 HD3 LYS 29 -0.847 10.359 14.265 1356 HE2 LYS 29 HE2 LYS 29 1.598 10.797 14.277 1357 HE3 LYS 29 HE3 LYS 29 1.609 10.744 16.044 1358 HZ1 LYS 29 HZ1 LYS 29 2.275 8.613 15.095 1359 HZ2 LYS 29 HZ2 LYS 29 0.868 8.466 14.282 1360 HZ3 LYS 29 HZ3 LYS 29 0.879 8.420 15.917 1361 H GLN 30 H GLN 30 -2.658 14.235 15.336 1362 HA GLN 30 HA GLN 30 -1.442 16.153 13.641 1363 HB2 GLN 30 HB2 GLN 30 -4.401 15.515 14.003 1364 HB3 GLN 30 HB3 GLN 30 -3.718 16.514 12.738 1365 HG2 GLN 30 HG2 GLN 30 -3.084 13.587 13.162 1366 HG3 GLN 30 HG3 GLN 30 -4.262 14.230 11.998 1367 HE21 GLN 30 HE21 GLN 30 -1.069 13.420 10.279 1368 HE22 GLN 30 HE22 GLN 30 -2.184 12.503 11.270 1369 H PHE 31 H PHE 31 -3.451 16.625 16.521 1370 HA PHE 31 HA PHE 31 -4.104 19.372 16.094 1371 HB2 PHE 31 HB2 PHE 31 -4.210 17.480 18.306 1372 HB3 PHE 31 HB3 PHE 31 -3.607 19.039 18.862 1373 HD1 PHE 31 HD1 PHE 31 -6.176 17.774 16.425 1374 HD2 PHE 31 HD2 PHE 31 -5.202 20.628 19.508 1375 HE1 PHE 31 HE1 PHE 31 -8.391 18.814 16.160 1376 HE2 PHE 31 HE2 PHE 31 -7.403 21.693 19.216 1377 HZ PHE 31 HZ PHE 31 -9.017 20.823 17.504 1378 H ARG 32 H ARG 32 -1.250 18.101 17.816 1379 HA ARG 32 HA ARG 32 0.090 20.674 17.862 1380 HB2 ARG 32 HB2 ARG 32 0.581 18.823 19.465 1381 HB3 ARG 32 HB3 ARG 32 1.043 17.777 18.128 1382 HG2 ARG 32 HG2 ARG 32 3.057 18.533 19.149 1383 HG3 ARG 32 HG3 ARG 32 2.924 19.317 17.597 1384 HD2 ARG 32 HD2 ARG 32 1.819 21.301 19.015 1385 HD3 ARG 32 HD3 ARG 32 2.658 20.535 20.349 1386 HE ARG 32 HE ARG 32 3.835 21.911 17.986 1387 HH11 ARG 32 HH11 ARG 32 4.609 20.123 20.925 1388 HH12 ARG 32 HH12 ARG 32 6.304 20.497 20.782 1389 HH21 ARG 32 HH21 ARG 32 7.055 21.651 19.046 1390 HH22 ARG 32 HH22 ARG 32 5.957 22.064 17.741 1391 H GLU 33 H GLU 33 0.408 17.863 15.660 1392 HA GLU 33 HA GLU 33 2.525 19.038 14.186 1393 HB2 GLU 33 HB2 GLU 33 0.536 17.092 13.050 1394 HB3 GLU 33 HB3 GLU 33 2.144 17.488 12.445 1395 HG2 GLU 33 HG2 GLU 33 1.383 15.752 14.698 1396 HG3 GLU 33 HG3 GLU 33 2.546 15.455 13.418 1397 H PHE 34 H PHE 34 -1.016 19.341 13.523 1398 HA PHE 34 HA PHE 34 -0.575 21.044 11.255 1399 HB2 PHE 34 HB2 PHE 34 -2.572 20.292 10.794 1400 HB3 PHE 34 HB3 PHE 34 -2.907 19.789 12.422 1401 HD1 PHE 34 HD1 PHE 34 -3.080 22.754 10.122 1402 HD2 PHE 34 HD2 PHE 34 -4.296 21.012 13.890 1403 HE1 PHE 34 HE1 PHE 34 -4.567 24.668 10.544 1404 HE2 PHE 34 HE2 PHE 34 -5.861 22.901 14.247 1405 HZ PHE 34 HZ PHE 34 -5.959 24.758 12.581 1406 H LEU 35 H LEU 35 -1.161 21.693 14.738 1407 HA LEU 35 HA LEU 35 -1.412 24.503 14.685 1408 HB2 LEU 35 HB2 LEU 35 -1.263 22.802 16.678 1409 HB3 LEU 35 HB3 LEU 35 0.456 23.074 16.602 1410 HG LEU 35 HG LEU 35 -1.802 24.804 17.518 1411 HD11 LEU 35 HD11 LEU 35 -0.469 23.467 19.051 1412 HD12 LEU 35 HD12 LEU 35 -0.249 25.183 19.376 1413 HD13 LEU 35 HD13 LEU 35 1.023 24.278 18.525 1414 HD21 LEU 35 HD21 LEU 35 -0.738 26.361 15.975 1415 HD22 LEU 35 HD22 LEU 35 0.865 25.908 16.591 1416 HD23 LEU 35 HD23 LEU 35 -0.282 26.785 17.630 1417 H ASP 36 H ASP 36 1.578 22.511 14.781 1418 HA ASP 36 HA ASP 36 3.404 24.632 14.338 1419 HB2 ASP 36 HB2 ASP 36 3.662 21.648 13.969 1420 HB3 ASP 36 HB3 ASP 36 4.981 22.771 13.647 1421 H TYR 37 H TYR 37 1.901 22.372 11.955 1422 HA TYR 37 HA TYR 37 3.192 23.135 9.600 1423 HB2 TYR 37 HB2 TYR 37 1.557 21.317 9.759 1424 HB3 TYR 37 HB3 TYR 37 0.313 22.478 10.170 1425 HD1 TYR 37 HD1 TYR 37 -1.232 21.555 8.651 1426 HD2 TYR 37 HD2 TYR 37 2.511 23.216 7.282 1427 HE1 TYR 37 HE1 TYR 37 -2.128 21.670 6.329 1428 HE2 TYR 37 HE2 TYR 37 1.627 23.284 4.981 1429 HH TYR 37 HH TYR 37 -0.177 22.915 3.599 1430 H GLN 38 H GLN 38 0.293 24.746 11.079 1431 HA GLN 38 HA GLN 38 0.377 26.884 9.087 1432 HB2 GLN 38 HB2 GLN 38 -1.074 26.616 11.734 1433 HB3 GLN 38 HB3 GLN 38 -1.258 28.005 10.678 1434 HG2 GLN 38 HG2 GLN 38 -2.035 25.119 10.125 1435 HG3 GLN 38 HG3 GLN 38 -3.104 26.519 10.231 1436 HE21 GLN 38 HE21 GLN 38 -2.520 24.441 7.995 1437 HE22 GLN 38 HE22 GLN 38 -2.259 25.478 6.609 1438 H LYS 39 H LYS 39 1.582 26.680 12.485 1439 HA LYS 39 HA LYS 39 2.536 29.348 12.710 1440 HB2 LYS 39 HB2 LYS 39 3.389 26.690 13.870 1441 HB3 LYS 39 HB3 LYS 39 4.395 28.104 14.125 1442 HG2 LYS 39 HG2 LYS 39 2.567 29.298 15.178 1443 HG3 LYS 39 HG3 LYS 39 1.456 27.938 14.992 1444 HD2 LYS 39 HD2 LYS 39 2.947 26.515 16.359 1445 HD3 LYS 39 HD3 LYS 39 4.176 27.779 16.416 1446 HE2 LYS 39 HE2 LYS 39 2.728 29.240 17.711 1447 HE3 LYS 39 HE3 LYS 39 1.400 28.079 17.623 1448 HZ1 LYS 39 HZ1 LYS 39 2.784 26.502 18.881 1449 HZ2 LYS 39 HZ2 LYS 39 2.645 27.894 19.729 1450 HZ3 LYS 39 HZ3 LYS 39 4.027 27.557 18.934 1451 H TRP 40 H TRP 40 4.161 26.570 11.253 1452 HA TRP 40 HA TRP 40 6.723 27.431 10.692 1453 HB2 TRP 40 HB2 TRP 40 5.529 25.180 10.321 1454 HB3 TRP 40 HB3 TRP 40 4.985 25.805 8.787 1455 HD1 TRP 40 HD1 TRP 40 7.037 26.359 6.986 1456 HE1 TRP 40 HE1 TRP 40 9.280 25.168 6.626 1457 HE3 TRP 40 HE3 TRP 40 7.228 23.599 11.326 1458 HZ2 TRP 40 HZ2 TRP 40 10.998 23.363 8.075 1459 HZ3 TRP 40 HZ3 TRP 40 9.208 22.189 11.811 1460 HH2 TRP 40 HH2 TRP 40 11.099 22.084 10.216 1461 H ARG 41 H ARG 41 3.799 28.328 9.041 1462 HA ARG 41 HA ARG 41 5.300 29.857 6.947 1463 HB2 ARG 41 HB2 ARG 41 3.829 27.845 6.343 1464 HB3 ARG 41 HB3 ARG 41 2.444 28.801 6.855 1465 HG2 ARG 41 HG2 ARG 41 2.736 28.825 4.433 1466 HG3 ARG 41 HG3 ARG 41 2.939 30.463 5.065 1467 HD2 ARG 41 HD2 ARG 41 5.271 30.469 4.654 1468 HD3 ARG 41 HD3 ARG 41 5.375 28.709 4.719 1469 HE ARG 41 HE ARG 41 4.652 28.471 2.548 1470 HH11 ARG 41 HH11 ARG 41 4.184 29.054 0.542 1471 HH12 ARG 41 HH12 ARG 41 4.237 30.739 0.042 1472 HH21 ARG 41 HH21 ARG 41 4.752 31.919 3.247 1473 HH22 ARG 41 HH22 ARG 41 4.502 32.340 1.574 1474 H LYS 42 H LYS 42 2.536 30.114 9.186 1475 HA LYS 42 HA LYS 42 1.888 32.880 8.529 1476 HB2 LYS 42 HB2 LYS 42 1.147 30.970 10.773 1477 HB3 LYS 42 HB3 LYS 42 0.934 32.684 11.011 1478 HG2 LYS 42 HG2 LYS 42 -1.103 32.019 10.306 1479 HG3 LYS 42 HG3 LYS 42 -0.420 32.814 8.903 1480 HD2 LYS 42 HD2 LYS 42 -0.529 29.782 9.264 1481 HD3 LYS 42 HD3 LYS 42 -1.832 30.740 8.577 1482 HE2 LYS 42 HE2 LYS 42 -0.077 31.601 6.864 1483 HE3 LYS 42 HE3 LYS 42 0.906 30.230 7.399 1484 HZ1 LYS 42 HZ1 LYS 42 -1.062 28.798 6.880 1485 HZ2 LYS 42 HZ2 LYS 42 -0.451 29.543 5.541 1486 HZ3 LYS 42 HZ3 LYS 42 -1.820 30.089 6.245 1487 H SER 43 H SER 43 3.878 31.427 11.093 1488 HA SER 43 HA SER 43 4.968 34.159 11.723 1489 HB2 SER 43 HB2 SER 43 5.221 33.571 13.959 1490 HB3 SER 43 HB3 SER 43 3.599 33.027 13.515 1491 HG SER 43 HG SER 43 4.503 30.901 13.257 1492 H GLN 44 H GLN 44 5.869 30.853 10.880 1493 HA GLN 44 HA GLN 44 7.768 29.979 10.168 1494 HB2 GLN 44 HB2 GLN 44 7.625 32.308 8.858 1495 HB3 GLN 44 HB3 GLN 44 9.155 32.581 9.673 1496 HG2 GLN 44 HG2 GLN 44 8.393 30.507 7.603 1497 HG3 GLN 44 HG3 GLN 44 9.650 31.719 7.518 1498 HE21 GLN 44 HE21 GLN 44 8.820 28.491 8.693 1499 HE22 GLN 44 HE22 GLN 44 10.478 28.046 9.112 1500 H LYS 45 H LYS 45 7.478 30.148 12.926 1501 HA LYS 45 HA LYS 45 9.994 30.477 14.271 1502 HB2 LYS 45 HB2 LYS 45 7.672 28.537 14.592 1503 HB3 LYS 45 HB3 LYS 45 9.036 28.587 15.714 1504 HG2 LYS 45 HG2 LYS 45 8.495 30.693 16.555 1505 HG3 LYS 45 HG3 LYS 45 7.566 31.170 15.126 1506 HD2 LYS 45 HD2 LYS 45 5.777 29.655 15.654 1507 HD3 LYS 45 HD3 LYS 45 6.693 28.955 17.009 1508 HE2 LYS 45 HE2 LYS 45 5.185 30.450 18.059 1509 HE3 LYS 45 HE3 LYS 45 6.750 31.270 18.063 1510 HZ1 LYS 45 HZ1 LYS 45 5.934 32.428 15.986 1511 HZ2 LYS 45 HZ2 LYS 45 5.082 32.815 17.339 1512 HZ3 LYS 45 HZ3 LYS 45 4.460 31.779 16.242 1513 H GLU 46 H GLU 46 11.761 29.184 14.456 1514 HA GLU 46 HA GLU 46 12.063 26.761 12.794 1515 HB2 GLU 46 HB2 GLU 46 12.295 28.762 11.301 1516 HB3 GLU 46 HB3 GLU 46 13.619 29.342 12.305 1517 HG2 GLU 46 HG2 GLU 46 14.383 28.280 10.220 1518 HG3 GLU 46 HG3 GLU 46 15.009 27.452 11.638 1519 H GLU 47 H GLU 47 14.104 25.679 13.093 1520 HA GLU 47 HA GLU 47 14.979 25.584 15.848 1521 HB2 GLU 47 HB2 GLU 47 14.791 23.603 14.414 1522 HB3 GLU 47 HB3 GLU 47 16.031 24.235 13.339 1523 HG2 GLU 47 HG2 GLU 47 16.944 22.501 14.770 1524 HG3 GLU 47 HG3 GLU 47 17.733 24.038 15.080 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 2.957 -8.363 2.566 2 H2 GLY 1 H2 GLY 1 4.454 -8.884 2.981 3 H3 GLY 1 H3 GLY 1 3.954 -8.979 1.423 4 HA2 GLY 1 HA2 GLY 1 4.428 -6.487 2.930 5 HA3 GLY 1 HA3 GLY 1 5.493 -7.150 1.677 6 H SER 2 H SER 2 5.212 -5.079 0.601 7 HA SER 2 HA SER 2 3.033 -5.115 -1.356 8 HB2 SER 2 HB2 SER 2 2.071 -3.862 0.585 9 HB3 SER 2 HB3 SER 2 3.386 -2.682 0.434 10 HG SER 2 HG SER 2 1.421 -2.087 -0.671 11 H HIS 3 H HIS 3 3.347 -3.389 -3.014 12 HA HIS 3 HA HIS 3 6.061 -3.464 -4.002 13 HB2 HIS 3 HB2 HIS 3 3.669 -1.901 -5.039 14 HB3 HIS 3 HB3 HIS 3 5.150 -2.257 -5.924 15 HD1 HIS 3 HD1 HIS 3 5.552 -5.111 -6.238 16 HD2 HIS 3 HD2 HIS 3 1.720 -3.612 -5.348 17 HE1 HIS 3 HE1 HIS 3 3.908 -6.974 -6.807 18 H MET 4 H MET 4 7.423 -1.724 -4.565 19 HA MET 4 HA MET 4 7.724 0.316 -2.543 20 HB2 MET 4 HB2 MET 4 9.138 -0.118 -5.201 21 HB3 MET 4 HB3 MET 4 9.624 1.070 -3.984 22 HG2 MET 4 HG2 MET 4 9.979 -0.695 -2.328 23 HG3 MET 4 HG3 MET 4 9.472 -1.930 -3.477 24 HE1 MET 4 HE1 MET 4 10.830 -2.839 -5.436 25 HE2 MET 4 HE2 MET 4 10.884 -1.246 -6.226 26 HE3 MET 4 HE3 MET 4 12.378 -2.178 -6.007 27 H GLU 5 H GLU 5 7.565 2.512 -2.657 28 HA GLU 5 HA GLU 5 5.368 3.604 -4.099 29 HB2 GLU 5 HB2 GLU 5 7.575 4.881 -2.410 30 HB3 GLU 5 HB3 GLU 5 6.176 5.743 -3.008 31 HG2 GLU 5 HG2 GLU 5 5.658 5.227 -0.800 32 HG3 GLU 5 HG3 GLU 5 4.668 4.176 -1.809 33 H TYR 6 H TYR 6 8.546 3.301 -5.184 34 HA TYR 6 HA TYR 6 8.245 5.283 -7.347 35 HB2 TYR 6 HB2 TYR 6 9.247 6.253 -5.047 36 HB3 TYR 6 HB3 TYR 6 10.716 5.497 -5.623 37 HD1 TYR 6 HD1 TYR 6 7.916 7.737 -6.709 38 HD2 TYR 6 HD2 TYR 6 12.121 6.850 -7.045 39 HE1 TYR 6 HE1 TYR 6 8.254 9.914 -7.718 40 HE2 TYR 6 HE2 TYR 6 12.447 8.963 -8.310 41 HH TYR 6 HH TYR 6 11.518 10.859 -9.051 42 H ASP 7 H ASP 7 9.944 5.208 -8.932 43 HA ASP 7 HA ASP 7 11.902 3.019 -8.891 44 HB2 ASP 7 HB2 ASP 7 9.711 1.977 -9.612 45 HB3 ASP 7 HB3 ASP 7 9.730 3.025 -11.026 46 H GLY 8 H GLY 8 12.446 5.699 -8.889 47 HA2 GLY 8 HA2 GLY 8 13.641 7.367 -9.961 48 HA3 GLY 8 HA3 GLY 8 13.954 6.252 -11.295 49 H GLN 9 H GLN 9 10.668 6.684 -10.538 50 HA GLN 9 HA GLN 9 9.978 8.664 -12.608 51 HB2 GLN 9 HB2 GLN 9 10.370 6.624 -13.854 52 HB3 GLN 9 HB3 GLN 9 9.525 5.651 -12.663 53 HG2 GLN 9 HG2 GLN 9 8.206 5.921 -14.725 54 HG3 GLN 9 HG3 GLN 9 7.374 6.502 -13.298 55 HE21 GLN 9 HE21 GLN 9 6.105 8.230 -13.932 56 HE22 GLN 9 HE22 GLN 9 6.657 9.505 -15.021 57 H LEU 10 H LEU 10 7.887 9.499 -12.261 58 HA LEU 10 HA LEU 10 6.673 8.953 -9.704 59 HB2 LEU 10 HB2 LEU 10 6.713 11.187 -11.035 60 HB3 LEU 10 HB3 LEU 10 5.370 10.537 -11.958 61 HG LEU 10 HG LEU 10 4.813 12.128 -10.160 62 HD11 LEU 10 HD11 LEU 10 3.239 10.284 -10.921 63 HD12 LEU 10 HD12 LEU 10 2.895 11.189 -9.434 64 HD13 LEU 10 HD13 LEU 10 3.568 9.543 -9.346 65 HD21 LEU 10 HD21 LEU 10 5.063 10.282 -7.897 66 HD22 LEU 10 HD22 LEU 10 5.601 11.964 -8.093 67 HD23 LEU 10 HD23 LEU 10 6.614 10.696 -8.626 68 H ASP 11 H ASP 11 5.247 7.586 -9.149 69 HA ASP 11 HA ASP 11 4.287 5.505 -10.822 70 HB2 ASP 11 HB2 ASP 11 4.747 5.780 -8.189 71 HB3 ASP 11 HB3 ASP 11 3.067 6.246 -8.172 72 H SER 12 H SER 12 2.260 5.159 -11.791 73 HA SER 12 HA SER 12 0.744 7.420 -12.591 74 HB2 SER 12 HB2 SER 12 0.866 5.419 -13.872 75 HB3 SER 12 HB3 SER 12 -0.039 4.506 -12.641 76 HG SER 12 HG SER 12 -1.855 5.761 -13.105 77 H GLU 13 H GLU 13 0.403 5.398 -9.769 78 HA GLU 13 HA GLU 13 -2.211 6.130 -8.889 79 HB2 GLU 13 HB2 GLU 13 0.327 5.216 -7.478 80 HB3 GLU 13 HB3 GLU 13 -1.178 5.469 -6.619 81 HG2 GLU 13 HG2 GLU 13 -0.801 3.560 -8.968 82 HG3 GLU 13 HG3 GLU 13 -0.740 3.086 -7.276 83 H TRP 14 H TRP 14 0.852 7.883 -8.618 84 HA TRP 14 HA TRP 14 -0.482 9.889 -6.874 85 HB2 TRP 14 HB2 TRP 14 2.394 10.193 -7.499 86 HB3 TRP 14 HB3 TRP 14 1.490 10.538 -6.035 87 HD1 TRP 14 HD1 TRP 14 4.109 8.424 -7.041 88 HE1 TRP 14 HE1 TRP 14 4.265 6.192 -5.780 89 HE3 TRP 14 HE3 TRP 14 -0.462 8.482 -4.760 90 HZ2 TRP 14 HZ2 TRP 14 2.599 4.627 -4.010 91 HZ3 TRP 14 HZ3 TRP 14 -1.148 6.625 -3.257 92 HH2 TRP 14 HH2 TRP 14 0.363 4.689 -2.887 93 H GLU 15 H GLU 15 0.938 9.534 -10.052 94 HA GLU 15 HA GLU 15 0.815 12.162 -11.075 95 HB2 GLU 15 HB2 GLU 15 1.748 10.441 -12.445 96 HB3 GLU 15 HB3 GLU 15 0.361 9.394 -12.224 97 HG2 GLU 15 HG2 GLU 15 0.536 10.284 -14.484 98 HG3 GLU 15 HG3 GLU 15 -0.992 10.640 -13.695 99 H LYS 16 H LYS 16 -1.705 9.669 -10.856 100 HA LYS 16 HA LYS 16 -3.791 11.299 -12.016 101 HB2 LYS 16 HB2 LYS 16 -5.351 9.603 -11.362 102 HB3 LYS 16 HB3 LYS 16 -3.891 8.895 -12.046 103 HG2 LYS 16 HG2 LYS 16 -4.064 7.481 -10.345 104 HG3 LYS 16 HG3 LYS 16 -3.212 8.747 -9.465 105 HD2 LYS 16 HD2 LYS 16 -5.358 9.592 -8.559 106 HD3 LYS 16 HD3 LYS 16 -6.260 8.408 -9.509 107 HE2 LYS 16 HE2 LYS 16 -4.170 7.682 -7.414 108 HE3 LYS 16 HE3 LYS 16 -5.888 7.808 -7.052 109 HZ1 LYS 16 HZ1 LYS 16 -4.878 5.513 -7.698 110 HZ2 LYS 16 HZ2 LYS 16 -4.981 6.029 -9.224 111 HZ3 LYS 16 HZ3 LYS 16 -6.347 5.922 -8.333 112 H LEU 17 H LEU 17 -2.682 11.058 -8.696 113 HA LEU 17 HA LEU 17 -4.929 12.449 -7.477 114 HB2 LEU 17 HB2 LEU 17 -2.057 12.035 -6.582 115 HB3 LEU 17 HB3 LEU 17 -3.290 12.742 -5.570 116 HG LEU 17 HG LEU 17 -3.577 9.965 -6.767 117 HD11 LEU 17 HD11 LEU 17 -2.719 9.065 -4.788 118 HD12 LEU 17 HD12 LEU 17 -2.762 10.633 -3.935 119 HD13 LEU 17 HD13 LEU 17 -1.566 10.343 -5.213 120 HD21 LEU 17 HD21 LEU 17 -5.045 11.489 -4.610 121 HD22 LEU 17 HD22 LEU 17 -5.161 9.723 -4.858 122 HD23 LEU 17 HD23 LEU 17 -5.710 10.835 -6.122 123 H VAL 18 H VAL 18 -1.612 13.513 -8.504 124 HA VAL 18 HA VAL 18 -2.171 16.268 -7.790 125 HB VAL 18 HB VAL 18 0.080 15.419 -7.854 126 HG11 VAL 18 HG11 VAL 18 0.084 13.910 -9.698 127 HG12 VAL 18 HG12 VAL 18 -0.333 15.178 -10.838 128 HG13 VAL 18 HG13 VAL 18 1.263 15.195 -10.059 129 HG21 VAL 18 HG21 VAL 18 -0.221 17.610 -9.940 130 HG22 VAL 18 HG22 VAL 18 -0.337 17.862 -8.190 131 HG23 VAL 18 HG23 VAL 18 1.175 17.268 -8.913 132 H ARG 19 H ARG 19 -2.356 14.617 -11.005 133 HA ARG 19 HA ARG 19 -3.359 16.874 -12.400 134 HB2 ARG 19 HB2 ARG 19 -2.461 14.534 -13.200 135 HB3 ARG 19 HB3 ARG 19 -4.144 13.999 -13.030 136 HG2 ARG 19 HG2 ARG 19 -4.812 15.876 -14.586 137 HG3 ARG 19 HG3 ARG 19 -3.098 16.341 -14.651 138 HD2 ARG 19 HD2 ARG 19 -3.661 15.180 -16.644 139 HD3 ARG 19 HD3 ARG 19 -2.494 14.255 -15.721 140 HE ARG 19 HE ARG 19 -5.437 13.679 -16.006 141 HH11 ARG 19 HH11 ARG 19 -2.896 10.763 -15.048 142 HH12 ARG 19 HH12 ARG 19 -2.268 12.391 -15.089 143 HH21 ARG 19 HH21 ARG 19 -6.115 11.586 -15.878 144 HH22 ARG 19 HH22 ARG 19 -4.998 10.328 -15.449 145 H ASP 20 H ASP 20 -5.151 14.409 -10.528 146 HA ASP 20 HA ASP 20 -7.790 15.406 -10.926 147 HB2 ASP 20 HB2 ASP 20 -6.309 13.883 -8.802 148 HB3 ASP 20 HB3 ASP 20 -7.814 14.631 -8.334 149 H ALA 21 H ALA 21 -5.244 16.463 -8.559 150 HA ALA 21 HA ALA 21 -6.947 18.369 -7.280 151 HB1 ALA 21 HB1 ALA 21 -4.829 19.336 -6.426 152 HB2 ALA 21 HB2 ALA 21 -4.874 17.575 -6.274 153 HB3 ALA 21 HB3 ALA 21 -3.907 18.339 -7.554 154 H MET 22 H MET 22 -4.617 18.759 -9.977 155 HA MET 22 HA MET 22 -5.032 21.523 -10.373 156 HB2 MET 22 HB2 MET 22 -4.304 19.477 -12.473 157 HB3 MET 22 HB3 MET 22 -4.134 21.230 -12.578 158 HG2 MET 22 HG2 MET 22 -2.335 19.275 -11.345 159 HG3 MET 22 HG3 MET 22 -2.031 20.816 -11.990 160 HE1 MET 22 HE1 MET 22 -2.121 22.904 -11.040 161 HE2 MET 22 HE2 MET 22 -3.493 23.096 -9.926 162 HE3 MET 22 HE3 MET 22 -1.818 23.277 -9.335 163 H THR 23 H THR 23 -6.646 18.804 -12.116 164 HA THR 23 HA THR 23 -8.517 20.494 -13.490 165 HB THR 23 HB THR 23 -9.746 18.407 -13.988 166 HG1 THR 23 HG1 THR 23 -7.673 17.097 -12.590 167 HG21 THR 23 HG21 THR 23 -7.944 17.330 -15.275 168 HG22 THR 23 HG22 THR 23 -6.730 18.253 -14.354 169 HG23 THR 23 HG23 THR 23 -7.887 19.098 -15.400 170 H SER 24 H SER 24 -8.762 18.983 -10.272 171 HA SER 24 HA SER 24 -11.564 19.545 -9.996 172 HB2 SER 24 HB2 SER 24 -10.635 17.854 -8.616 173 HB3 SER 24 HB3 SER 24 -9.416 18.924 -7.922 174 HG SER 24 HG SER 24 -12.253 19.078 -7.625 175 H GLY 25 H GLY 25 -8.680 21.515 -9.534 176 HA2 GLY 25 HA2 GLY 25 -8.520 23.826 -9.139 177 HA3 GLY 25 HA3 GLY 25 -10.248 23.921 -8.784 178 H VAL 26 H VAL 26 -8.259 21.466 -7.305 179 HA VAL 26 HA VAL 26 -8.662 22.225 -4.537 180 HB VAL 26 HB VAL 26 -6.880 20.318 -6.021 181 HG11 VAL 26 HG11 VAL 26 -6.357 19.238 -3.807 182 HG12 VAL 26 HG12 VAL 26 -5.415 20.667 -4.277 183 HG13 VAL 26 HG13 VAL 26 -6.705 20.824 -3.084 184 HG21 VAL 26 HG21 VAL 26 -9.275 19.771 -5.805 185 HG22 VAL 26 HG22 VAL 26 -8.299 18.637 -4.870 186 HG23 VAL 26 HG23 VAL 26 -9.166 19.952 -4.058 187 H SER 27 H SER 27 -7.226 23.181 -3.106 188 HA SER 27 HA SER 27 -5.890 25.439 -4.061 189 HB2 SER 27 HB2 SER 27 -5.734 24.071 -1.374 190 HB3 SER 27 HB3 SER 27 -5.044 25.672 -1.721 191 HG SER 27 HG SER 27 -7.120 26.385 -2.317 192 H LYS 28 H LYS 28 -4.254 25.187 -5.494 193 HA LYS 28 HA LYS 28 -2.223 23.263 -5.431 194 HB2 LYS 28 HB2 LYS 28 -1.138 24.561 -7.169 195 HB3 LYS 28 HB3 LYS 28 -2.884 24.531 -7.408 196 HG2 LYS 28 HG2 LYS 28 -2.994 26.847 -6.351 197 HG3 LYS 28 HG3 LYS 28 -1.221 26.853 -6.336 198 HD2 LYS 28 HD2 LYS 28 -1.225 26.551 -8.814 199 HD3 LYS 28 HD3 LYS 28 -3.000 26.583 -8.802 200 HE2 LYS 28 HE2 LYS 28 -2.944 28.865 -7.805 201 HE3 LYS 28 HE3 LYS 28 -1.176 28.832 -7.829 202 HZ1 LYS 28 HZ1 LYS 28 -1.279 28.665 -10.262 203 HZ2 LYS 28 HZ2 LYS 28 -2.069 30.001 -9.762 204 HZ3 LYS 28 HZ3 LYS 28 -2.915 28.691 -10.239 205 H LYS 29 H LYS 29 -2.278 26.327 -3.691 206 HA LYS 29 HA LYS 29 0.455 26.285 -2.783 207 HB2 LYS 29 HB2 LYS 29 -0.319 27.828 -1.056 208 HB3 LYS 29 HB3 LYS 29 -0.861 28.283 -2.672 209 HG2 LYS 29 HG2 LYS 29 -3.015 26.766 -1.726 210 HG3 LYS 29 HG3 LYS 29 -2.420 27.527 -0.257 211 HD2 LYS 29 HD2 LYS 29 -2.520 29.755 -1.448 212 HD3 LYS 29 HD3 LYS 29 -3.210 28.908 -2.855 213 HE2 LYS 29 HE2 LYS 29 -5.128 28.163 -1.461 214 HE3 LYS 29 HE3 LYS 29 -4.431 28.975 -0.053 215 HZ1 LYS 29 HZ1 LYS 29 -5.312 30.349 -2.540 216 HZ2 LYS 29 HZ2 LYS 29 -4.665 31.093 -1.237 217 HZ3 LYS 29 HZ3 LYS 29 -6.116 30.360 -1.121 218 H GLN 30 H GLN 30 -2.438 24.595 -1.584 219 HA GLN 30 HA GLN 30 -1.268 23.821 0.939 220 HB2 GLN 30 HB2 GLN 30 -3.503 22.548 -0.704 221 HB3 GLN 30 HB3 GLN 30 -3.038 22.008 0.897 222 HG2 GLN 30 HG2 GLN 30 -4.040 24.824 0.303 223 HG3 GLN 30 HG3 GLN 30 -5.061 23.479 0.819 224 HE21 GLN 30 HE21 GLN 30 -2.651 25.845 1.908 225 HE22 GLN 30 HE22 GLN 30 -2.778 25.400 3.600 226 H PHE 31 H PHE 31 -1.146 22.444 -2.330 227 HA PHE 31 HA PHE 31 0.032 19.906 -1.765 228 HB2 PHE 31 HB2 PHE 31 -0.364 21.645 -4.087 229 HB3 PHE 31 HB3 PHE 31 1.218 20.910 -4.128 230 HD1 PHE 31 HD1 PHE 31 -2.391 20.066 -3.611 231 HD2 PHE 31 HD2 PHE 31 1.466 18.739 -5.001 232 HE1 PHE 31 HE1 PHE 31 -3.393 17.939 -4.356 233 HE2 PHE 31 HE2 PHE 31 0.446 16.638 -5.815 234 HZ PHE 31 HZ PHE 31 -1.965 16.158 -5.394 235 H ARG 32 H ARG 32 1.733 22.979 -2.491 236 HA ARG 32 HA ARG 32 4.332 21.943 -1.901 237 HB2 ARG 32 HB2 ARG 32 4.047 23.872 -3.331 238 HB3 ARG 32 HB3 ARG 32 3.194 24.754 -2.069 239 HG2 ARG 32 HG2 ARG 32 5.492 25.594 -2.330 240 HG3 ARG 32 HG3 ARG 32 5.237 24.923 -0.732 241 HD2 ARG 32 HD2 ARG 32 6.312 22.738 -1.656 242 HD3 ARG 32 HD3 ARG 32 6.852 23.708 -3.017 243 HE ARG 32 HE ARG 32 7.774 23.749 -0.212 244 HH11 ARG 32 HH11 ARG 32 7.962 25.658 -3.167 245 HH12 ARG 32 HH12 ARG 32 9.337 26.538 -2.558 246 HH21 ARG 32 HH21 ARG 32 9.333 24.841 0.463 247 HH22 ARG 32 HH22 ARG 32 10.144 26.084 -0.498 248 H GLU 33 H GLU 33 2.225 23.993 0.150 249 HA GLU 33 HA GLU 33 4.114 24.015 2.329 250 HB2 GLU 33 HB2 GLU 33 1.104 24.407 2.487 251 HB3 GLU 33 HB3 GLU 33 2.308 24.877 3.688 252 HG2 GLU 33 HG2 GLU 33 1.765 26.155 1.027 253 HG3 GLU 33 HG3 GLU 33 1.716 26.870 2.630 254 H PHE 34 H PHE 34 1.385 21.730 1.656 255 HA PHE 34 HA PHE 34 1.726 20.272 4.110 256 HB2 PHE 34 HB2 PHE 34 -0.305 20.315 2.554 257 HB3 PHE 34 HB3 PHE 34 0.544 19.131 1.564 258 HD1 PHE 34 HD1 PHE 34 1.011 16.796 2.618 259 HD2 PHE 34 HD2 PHE 34 -1.336 19.834 4.600 260 HE1 PHE 34 HE1 PHE 34 0.218 15.135 4.242 261 HE2 PHE 34 HE2 PHE 34 -2.218 18.122 6.164 262 HZ PHE 34 HZ PHE 34 -1.438 15.765 5.997 263 H LEU 35 H LEU 35 3.195 19.950 0.848 264 HA LEU 35 HA LEU 35 4.643 17.551 1.276 265 HB2 LEU 35 HB2 LEU 35 4.613 19.677 -0.648 266 HB3 LEU 35 HB3 LEU 35 6.266 19.561 -0.128 267 HG LEU 35 HG LEU 35 5.896 18.246 -2.109 268 HD11 LEU 35 HD11 LEU 35 6.236 16.306 0.194 269 HD12 LEU 35 HD12 LEU 35 7.494 17.439 -0.346 270 HD13 LEU 35 HD13 LEU 35 6.894 16.218 -1.456 271 HD21 LEU 35 HD21 LEU 35 3.455 17.855 -1.644 272 HD22 LEU 35 HD22 LEU 35 3.952 16.514 -0.582 273 HD23 LEU 35 HD23 LEU 35 4.349 16.496 -2.317 274 H ASP 36 H ASP 36 5.742 20.918 1.934 275 HA ASP 36 HA ASP 36 8.191 20.077 3.163 276 HB2 ASP 36 HB2 ASP 36 6.710 22.707 3.302 277 HB3 ASP 36 HB3 ASP 36 8.309 22.423 3.993 278 H TYR 37 H TYR 37 5.000 20.820 4.601 279 HA TYR 37 HA TYR 37 5.652 20.487 7.338 280 HB2 TYR 37 HB2 TYR 37 3.541 21.291 6.793 281 HB3 TYR 37 HB3 TYR 37 3.228 20.017 5.638 282 HD1 TYR 37 HD1 TYR 37 1.139 19.255 6.300 283 HD2 TYR 37 HD2 TYR 37 4.293 19.558 9.228 284 HE1 TYR 37 HE1 TYR 37 -0.278 18.053 7.947 285 HE2 TYR 37 HE2 TYR 37 2.878 18.317 10.863 286 HH TYR 37 HH TYR 37 -0.392 17.106 10.034 287 H GLN 38 H GLN 38 4.562 17.870 5.029 288 HA GLN 38 HA GLN 38 5.121 15.824 6.992 289 HB2 GLN 38 HB2 GLN 38 4.851 15.576 3.973 290 HB3 GLN 38 HB3 GLN 38 4.986 14.231 5.105 291 HG2 GLN 38 HG2 GLN 38 2.707 16.229 4.991 292 HG3 GLN 38 HG3 GLN 38 2.663 14.532 4.493 293 HE21 GLN 38 HE21 GLN 38 1.048 16.025 6.567 294 HE22 GLN 38 HE22 GLN 38 1.273 15.055 8.016 295 H LYS 39 H LYS 39 7.192 17.196 4.390 296 HA LYS 39 HA LYS 39 9.359 15.360 4.558 297 HB2 LYS 39 HB2 LYS 39 9.078 18.308 3.946 298 HB3 LYS 39 HB3 LYS 39 10.687 17.628 4.074 299 HG2 LYS 39 HG2 LYS 39 10.504 16.360 2.201 300 HG3 LYS 39 HG3 LYS 39 8.732 16.316 2.153 301 HD2 LYS 39 HD2 LYS 39 8.636 18.525 1.308 302 HD3 LYS 39 HD3 LYS 39 10.261 18.935 1.881 303 HE2 LYS 39 HE2 LYS 39 11.294 17.510 0.207 304 HE3 LYS 39 HE3 LYS 39 9.731 16.929 -0.348 305 HZ1 LYS 39 HZ1 LYS 39 10.735 19.742 -0.500 306 HZ2 LYS 39 HZ2 LYS 39 9.225 19.330 -0.913 307 HZ3 LYS 39 HZ3 LYS 39 10.487 18.763 -1.789 308 H TRP 40 H TRP 40 8.903 18.382 6.439 309 HA TRP 40 HA TRP 40 11.189 17.894 8.136 310 HB2 TRP 40 HB2 TRP 40 9.077 19.978 7.855 311 HB3 TRP 40 HB3 TRP 40 9.835 19.844 9.425 312 HD1 TRP 40 HD1 TRP 40 12.120 20.835 9.793 313 HE1 TRP 40 HE1 TRP 40 13.887 22.029 8.383 314 HE3 TRP 40 HE3 TRP 40 10.171 19.993 5.127 315 HZ2 TRP 40 HZ2 TRP 40 14.411 22.547 5.604 316 HZ3 TRP 40 HZ3 TRP 40 11.344 20.832 3.110 317 HH2 TRP 40 HH2 TRP 40 13.470 22.100 3.334 318 H ARG 41 H ARG 41 7.977 16.648 8.379 319 HA ARG 41 HA ARG 41 8.322 15.913 11.252 320 HB2 ARG 41 HB2 ARG 41 6.033 16.125 9.371 321 HB3 ARG 41 HB3 ARG 41 6.059 14.598 10.212 322 HG2 ARG 41 HG2 ARG 41 4.717 16.024 11.524 323 HG3 ARG 41 HG3 ARG 41 6.217 15.779 12.390 324 HD2 ARG 41 HD2 ARG 41 6.998 18.097 11.464 325 HD3 ARG 41 HD3 ARG 41 5.345 18.272 10.868 326 HE ARG 41 HE ARG 41 5.024 17.525 13.518 327 HH11 ARG 41 HH11 ARG 41 6.737 20.311 12.186 328 HH12 ARG 41 HH12 ARG 41 6.607 21.135 13.726 329 HH21 ARG 41 HH21 ARG 41 4.866 18.553 15.204 330 HH22 ARG 41 HH22 ARG 41 5.484 20.198 15.426 331 H LYS 42 H LYS 42 8.007 14.296 8.115 332 HA LYS 42 HA LYS 42 8.436 11.601 9.165 333 HB2 LYS 42 HB2 LYS 42 8.160 12.671 6.310 334 HB3 LYS 42 HB3 LYS 42 8.188 10.973 6.759 335 HG2 LYS 42 HG2 LYS 42 6.013 12.978 7.504 336 HG3 LYS 42 HG3 LYS 42 5.941 11.721 6.283 337 HD2 LYS 42 HD2 LYS 42 4.817 10.656 7.946 338 HD3 LYS 42 HD3 LYS 42 6.447 10.092 8.319 339 HE2 LYS 42 HE2 LYS 42 6.624 11.966 10.018 340 HE3 LYS 42 HE3 LYS 42 4.969 12.439 9.616 341 HZ1 LYS 42 HZ1 LYS 42 5.033 11.006 11.578 342 HZ2 LYS 42 HZ2 LYS 42 5.758 9.803 10.747 343 HZ3 LYS 42 HZ3 LYS 42 4.228 10.245 10.378 344 H SER 43 H SER 43 10.306 13.709 6.929 345 HA SER 43 HA SER 43 12.603 11.820 7.089 346 HB2 SER 43 HB2 SER 43 11.898 12.751 4.895 347 HB3 SER 43 HB3 SER 43 12.295 14.376 5.477 348 HG SER 43 HG SER 43 14.042 12.157 5.114 349 H GLN 44 H GLN 44 11.622 15.080 8.088 350 HA GLN 44 HA GLN 44 12.390 16.494 9.633 351 HB2 GLN 44 HB2 GLN 44 12.221 14.136 10.868 352 HB3 GLN 44 HB3 GLN 44 13.940 14.404 11.118 353 HG2 GLN 44 HG2 GLN 44 11.563 16.008 12.106 354 HG3 GLN 44 HG3 GLN 44 12.772 15.177 13.053 355 HE21 GLN 44 HE21 GLN 44 12.055 18.120 11.217 356 HE22 GLN 44 HE22 GLN 44 13.449 19.021 11.816 357 H LYS 45 H LYS 45 13.786 16.463 7.279 358 HA LYS 45 HA LYS 45 16.618 16.672 7.445 359 HB2 LYS 45 HB2 LYS 45 14.486 17.998 5.722 360 HB3 LYS 45 HB3 LYS 45 16.209 18.282 5.458 361 HG2 LYS 45 HG2 LYS 45 16.645 16.131 4.743 362 HG3 LYS 45 HG3 LYS 45 15.301 15.411 5.631 363 HD2 LYS 45 HD2 LYS 45 13.670 16.223 4.073 364 HD3 LYS 45 HD3 LYS 45 14.878 17.219 3.219 365 HE2 LYS 45 HE2 LYS 45 16.125 15.196 2.570 366 HE3 LYS 45 HE3 LYS 45 14.989 14.180 3.463 367 HZ1 LYS 45 HZ1 LYS 45 14.244 15.874 1.141 368 HZ2 LYS 45 HZ2 LYS 45 13.236 14.857 1.953 369 HZ3 LYS 45 HZ3 LYS 45 14.483 14.258 1.083 370 H GLU 46 H GLU 46 17.995 18.207 8.134 371 HA GLU 46 HA GLU 46 16.929 20.338 9.856 372 HB2 GLU 46 HB2 GLU 46 19.779 19.464 9.237 373 HB3 GLU 46 HB3 GLU 46 19.314 20.671 10.446 374 HG2 GLU 46 HG2 GLU 46 17.901 18.923 11.582 375 HG3 GLU 46 HG3 GLU 46 18.568 17.717 10.479 376 H GLU 47 H GLU 47 18.031 20.187 6.596 377 HA GLU 47 HA GLU 47 17.886 23.104 6.214 378 HB2 GLU 47 HB2 GLU 47 20.227 22.779 6.857 379 HB3 GLU 47 HB3 GLU 47 20.403 21.485 5.680 380 HG2 GLU 47 HG2 GLU 47 21.464 23.500 4.873 381 HG3 GLU 47 HG3 GLU 47 20.136 23.048 3.822 382 H1 GLY 1 H1 GLY 1 -7.964 19.772 -32.164 383 H2 GLY 1 H2 GLY 1 -7.573 20.790 -33.385 384 H3 GLY 1 H3 GLY 1 -9.145 20.552 -32.990 385 HA2 GLY 1 HA2 GLY 1 -8.402 22.688 -32.164 386 HA3 GLY 1 HA3 GLY 1 -8.852 21.588 -30.849 387 H SER 2 H SER 2 -6.838 23.913 -31.164 388 HA SER 2 HA SER 2 -4.198 22.825 -30.934 389 HB2 SER 2 HB2 SER 2 -5.239 25.532 -30.021 390 HB3 SER 2 HB3 SER 2 -3.554 25.111 -30.370 391 HG SER 2 HG SER 2 -4.081 24.846 -32.538 392 H HIS 3 H HIS 3 -6.665 23.263 -28.485 393 HA HIS 3 HA HIS 3 -4.931 23.520 -26.209 394 HB2 HIS 3 HB2 HIS 3 -7.809 22.559 -26.355 395 HB3 HIS 3 HB3 HIS 3 -6.950 23.034 -24.892 396 HD1 HIS 3 HD1 HIS 3 -8.875 24.573 -27.770 397 HD2 HIS 3 HD2 HIS 3 -6.251 25.704 -24.676 398 HE1 HIS 3 HE1 HIS 3 -9.022 27.110 -27.603 399 H MET 4 H MET 4 -4.362 22.095 -24.636 400 HA MET 4 HA MET 4 -4.731 19.174 -24.935 401 HB2 MET 4 HB2 MET 4 -2.357 18.677 -25.095 402 HB3 MET 4 HB3 MET 4 -2.848 19.696 -26.444 403 HG2 MET 4 HG2 MET 4 -1.941 21.696 -25.181 404 HG3 MET 4 HG3 MET 4 -1.375 20.589 -23.932 405 HE1 MET 4 HE1 MET 4 0.367 21.040 -28.203 406 HE2 MET 4 HE2 MET 4 -1.273 20.407 -27.964 407 HE3 MET 4 HE3 MET 4 -0.882 22.072 -27.476 408 H GLU 5 H GLU 5 -4.422 21.852 -22.953 409 HA GLU 5 HA GLU 5 -2.894 21.007 -20.767 410 HB2 GLU 5 HB2 GLU 5 -5.312 22.867 -20.781 411 HB3 GLU 5 HB3 GLU 5 -4.103 22.717 -19.511 412 HG2 GLU 5 HG2 GLU 5 -3.217 24.512 -20.536 413 HG3 GLU 5 HG3 GLU 5 -2.397 23.286 -21.489 414 H TYR 6 H TYR 6 -3.147 19.656 -19.167 415 HA TYR 6 HA TYR 6 -3.837 17.942 -17.973 416 HB2 TYR 6 HB2 TYR 6 -6.316 19.647 -17.596 417 HB3 TYR 6 HB3 TYR 6 -5.885 18.232 -16.653 418 HD1 TYR 6 HD1 TYR 6 -3.793 18.093 -15.466 419 HD2 TYR 6 HD2 TYR 6 -5.112 21.783 -17.200 420 HE1 TYR 6 HE1 TYR 6 -2.168 19.306 -14.017 421 HE2 TYR 6 HE2 TYR 6 -3.417 23.027 -15.855 422 HH TYR 6 HH TYR 6 -1.710 22.883 -14.396 423 H ASP 7 H ASP 7 -4.712 17.790 -20.924 424 HA ASP 7 HA ASP 7 -6.538 15.501 -20.803 425 HB2 ASP 7 HB2 ASP 7 -6.386 17.073 -22.744 426 HB3 ASP 7 HB3 ASP 7 -4.769 16.457 -23.084 427 H GLY 8 H GLY 8 -4.775 14.943 -18.923 428 HA2 GLY 8 HA2 GLY 8 -3.540 12.997 -18.280 429 HA3 GLY 8 HA3 GLY 8 -3.054 12.729 -19.948 430 H GLN 9 H GLN 9 -2.498 15.871 -19.787 431 HA GLN 9 HA GLN 9 0.328 15.764 -19.064 432 HB2 GLN 9 HB2 GLN 9 -0.312 17.023 -20.953 433 HB3 GLN 9 HB3 GLN 9 -1.578 17.885 -20.108 434 HG2 GLN 9 HG2 GLN 9 1.324 18.208 -19.251 435 HG3 GLN 9 HG3 GLN 9 0.735 19.027 -20.687 436 HE21 GLN 9 HE21 GLN 9 1.696 20.313 -18.226 437 HE22 GLN 9 HE22 GLN 9 0.330 21.283 -17.684 438 H LEU 10 H LEU 10 1.338 16.847 -17.372 439 HA LEU 10 HA LEU 10 -0.281 18.214 -15.310 440 HB2 LEU 10 HB2 LEU 10 0.174 15.819 -14.663 441 HB3 LEU 10 HB3 LEU 10 1.901 16.181 -14.670 442 HG LEU 10 HG LEU 10 0.760 15.916 -12.535 443 HD11 LEU 10 HD11 LEU 10 2.811 17.434 -12.879 444 HD12 LEU 10 HD12 LEU 10 1.938 17.397 -11.341 445 HD13 LEU 10 HD13 LEU 10 1.682 18.745 -12.477 446 HD21 LEU 10 HD21 LEU 10 -0.971 17.308 -11.799 447 HD22 LEU 10 HD22 LEU 10 -1.325 17.148 -13.496 448 HD23 LEU 10 HD23 LEU 10 -0.518 18.621 -12.889 449 H ASP 11 H ASP 11 0.703 19.984 -14.400 450 HA ASP 11 HA ASP 11 2.817 21.230 -15.859 451 HB2 ASP 11 HB2 ASP 11 0.794 22.130 -14.327 452 HB3 ASP 11 HB3 ASP 11 2.035 22.129 -13.104 453 H SER 12 H SER 12 5.012 21.471 -15.426 454 HA SER 12 HA SER 12 6.369 19.504 -13.912 455 HB2 SER 12 HB2 SER 12 7.345 20.621 -15.758 456 HB3 SER 12 HB3 SER 12 7.360 22.176 -14.894 457 HG SER 12 HG SER 12 8.896 21.341 -13.482 458 H GLU 13 H GLU 13 5.169 22.633 -12.908 459 HA GLU 13 HA GLU 13 6.552 22.901 -10.425 460 HB2 GLU 13 HB2 GLU 13 3.886 23.924 -11.475 461 HB3 GLU 13 HB3 GLU 13 4.502 24.383 -9.903 462 HG2 GLU 13 HG2 GLU 13 6.026 24.854 -12.506 463 HG3 GLU 13 HG3 GLU 13 4.898 26.011 -11.811 464 H TRP 14 H TRP 14 3.745 20.949 -11.210 465 HA TRP 14 HA TRP 14 3.411 20.296 -8.325 466 HB2 TRP 14 HB2 TRP 14 1.459 19.225 -10.261 467 HB3 TRP 14 HB3 TRP 14 1.252 19.797 -8.613 468 HD1 TRP 14 HD1 TRP 14 0.216 20.654 -11.896 469 HE1 TRP 14 HE1 TRP 14 -0.159 23.166 -12.288 470 HE3 TRP 14 HE3 TRP 14 2.280 22.482 -7.585 471 HZ2 TRP 14 HZ2 TRP 14 0.403 25.654 -10.933 472 HZ3 TRP 14 HZ3 TRP 14 2.329 24.929 -7.140 473 HH2 TRP 14 HH2 TRP 14 1.418 26.523 -8.815 474 H GLU 15 H GLU 15 4.236 18.852 -11.410 475 HA GLU 15 HA GLU 15 4.543 16.117 -10.751 476 HB2 GLU 15 HB2 GLU 15 4.925 16.756 -13.008 477 HB3 GLU 15 HB3 GLU 15 5.997 18.078 -12.540 478 HG2 GLU 15 HG2 GLU 15 7.745 16.557 -11.889 479 HG3 GLU 15 HG3 GLU 15 6.723 15.152 -12.262 480 H LYS 16 H LYS 16 6.741 18.855 -10.273 481 HA LYS 16 HA LYS 16 8.839 17.312 -9.044 482 HB2 LYS 16 HB2 LYS 16 9.900 19.387 -8.475 483 HB3 LYS 16 HB3 LYS 16 9.249 19.437 -10.107 484 HG2 LYS 16 HG2 LYS 16 8.542 21.461 -9.510 485 HG3 LYS 16 HG3 LYS 16 7.176 20.568 -8.848 486 HD2 LYS 16 HD2 LYS 16 8.296 20.558 -6.604 487 HD3 LYS 16 HD3 LYS 16 9.665 21.432 -7.272 488 HE2 LYS 16 HE2 LYS 16 6.814 22.527 -7.196 489 HE3 LYS 16 HE3 LYS 16 8.010 22.772 -5.924 490 HZ1 LYS 16 HZ1 LYS 16 8.100 23.872 -8.676 491 HZ2 LYS 16 HZ2 LYS 16 9.458 23.775 -7.744 492 HZ3 LYS 16 HZ3 LYS 16 8.164 24.652 -7.279 493 H LEU 17 H LEU 17 6.016 18.836 -7.624 494 HA LEU 17 HA LEU 17 6.777 18.536 -4.841 495 HB2 LEU 17 HB2 LEU 17 4.053 18.784 -6.175 496 HB3 LEU 17 HB3 LEU 17 4.307 18.889 -4.452 497 HG LEU 17 HG LEU 17 5.643 20.773 -6.424 498 HD11 LEU 17 HD11 LEU 17 3.937 22.321 -6.045 499 HD12 LEU 17 HD12 LEU 17 3.254 21.397 -4.689 500 HD13 LEU 17 HD13 LEU 17 3.069 20.802 -6.355 501 HD21 LEU 17 HD21 LEU 17 5.261 20.783 -3.410 502 HD22 LEU 17 HD22 LEU 17 5.818 22.192 -4.352 503 HD23 LEU 17 HD23 LEU 17 6.805 20.720 -4.286 504 H VAL 18 H VAL 18 4.662 16.564 -7.035 505 HA VAL 18 HA VAL 18 4.216 14.560 -4.995 506 HB VAL 18 HB VAL 18 2.700 14.811 -6.851 507 HG11 VAL 18 HG11 VAL 18 3.321 13.724 -9.070 508 HG12 VAL 18 HG12 VAL 18 3.967 15.348 -8.723 509 HG13 VAL 18 HG13 VAL 18 5.021 13.957 -8.595 510 HG21 VAL 18 HG21 VAL 18 2.743 12.670 -5.697 511 HG22 VAL 18 HG22 VAL 18 2.392 12.455 -7.425 512 HG23 VAL 18 HG23 VAL 18 3.997 12.052 -6.773 513 H ARG 19 H ARG 19 6.695 14.734 -7.605 514 HA ARG 19 HA ARG 19 7.868 12.160 -6.966 515 HB2 ARG 19 HB2 ARG 19 8.965 14.651 -8.331 516 HB3 ARG 19 HB3 ARG 19 9.907 13.143 -8.082 517 HG2 ARG 19 HG2 ARG 19 8.158 11.919 -9.315 518 HG3 ARG 19 HG3 ARG 19 7.387 13.443 -9.764 519 HD2 ARG 19 HD2 ARG 19 10.246 12.584 -10.451 520 HD3 ARG 19 HD3 ARG 19 8.844 12.319 -11.465 521 HE ARG 19 HE ARG 19 8.832 14.537 -12.120 522 HH11 ARG 19 HH11 ARG 19 11.251 14.272 -9.593 523 HH12 ARG 19 HH12 ARG 19 12.037 15.742 -10.098 524 HH21 ARG 19 HH21 ARG 19 9.919 16.263 -12.772 525 HH22 ARG 19 HH22 ARG 19 11.274 16.877 -11.843 526 H ASP 20 H ASP 20 8.578 15.445 -5.772 527 HA ASP 20 HA ASP 20 10.639 14.807 -3.926 528 HB2 ASP 20 HB2 ASP 20 8.500 16.902 -4.208 529 HB3 ASP 20 HB3 ASP 20 9.239 16.734 -2.632 530 H ALA 21 H ALA 21 7.037 14.609 -3.475 531 HA ALA 21 HA ALA 21 7.236 13.811 -0.735 532 HB1 ALA 21 HB1 ALA 21 4.901 12.947 -1.099 533 HB2 ALA 21 HB2 ALA 21 5.158 14.620 -1.605 534 HB3 ALA 21 HB3 ALA 21 5.067 13.322 -2.820 535 H MET 22 H MET 22 7.054 11.864 -3.746 536 HA MET 22 HA MET 22 7.090 9.343 -2.483 537 HB2 MET 22 HB2 MET 22 8.289 10.055 -5.171 538 HB3 MET 22 HB3 MET 22 7.928 8.439 -4.564 539 HG2 MET 22 HG2 MET 22 6.174 10.260 -5.978 540 HG3 MET 22 HG3 MET 22 6.065 8.592 -5.712 541 HE1 MET 22 HE1 MET 22 3.777 7.842 -3.079 542 HE2 MET 22 HE2 MET 22 5.173 7.434 -4.111 543 HE3 MET 22 HE3 MET 22 5.439 8.092 -2.484 544 H THR 23 H THR 23 9.917 11.292 -3.623 545 HA THR 23 HA THR 23 11.790 9.299 -2.613 546 HB THR 23 HB THR 23 13.548 10.826 -3.301 547 HG1 THR 23 HG1 THR 23 12.745 12.829 -2.929 548 HG21 THR 23 HG21 THR 23 11.351 10.638 -5.400 549 HG22 THR 23 HG22 THR 23 12.456 9.326 -4.954 550 HG23 THR 23 HG23 THR 23 13.095 10.816 -5.682 551 H SER 24 H SER 24 10.434 12.282 -1.222 552 HA SER 24 HA SER 24 12.364 12.238 0.935 553 HB2 SER 24 HB2 SER 24 11.367 14.351 0.088 554 HB3 SER 24 HB3 SER 24 9.837 13.922 0.866 555 HG SER 24 HG SER 24 11.075 13.688 2.829 556 H GLY 25 H GLY 25 9.945 10.077 0.380 557 HA2 GLY 25 HA2 GLY 25 8.947 8.481 1.706 558 HA3 GLY 25 HA3 GLY 25 9.953 9.024 3.056 559 H VAL 26 H VAL 26 7.745 11.186 1.382 560 HA VAL 26 HA VAL 26 6.324 11.953 3.806 561 HB VAL 26 HB VAL 26 6.098 12.641 0.881 562 HG11 VAL 26 HG11 VAL 26 4.232 13.578 3.015 563 HG12 VAL 26 HG12 VAL 26 4.623 14.560 1.585 564 HG13 VAL 26 HG13 VAL 26 3.875 12.963 1.400 565 HG21 VAL 26 HG21 VAL 26 6.901 14.237 3.354 566 HG22 VAL 26 HG22 VAL 26 8.026 13.543 2.179 567 HG23 VAL 26 HG23 VAL 26 6.933 14.834 1.687 568 H SER 27 H SER 27 4.180 11.615 4.339 569 HA SER 27 HA SER 27 3.190 9.049 4.108 570 HB2 SER 27 HB2 SER 27 1.686 11.593 4.764 571 HB3 SER 27 HB3 SER 27 1.125 9.940 5.109 572 HG SER 27 HG SER 27 2.250 11.022 6.881 573 H LYS 28 H LYS 28 2.879 8.201 2.072 574 HA LYS 28 HA LYS 28 1.672 9.442 -0.120 575 HB2 LYS 28 HB2 LYS 28 1.552 7.242 -1.130 576 HB3 LYS 28 HB3 LYS 28 3.046 7.396 -0.211 577 HG2 LYS 28 HG2 LYS 28 1.907 6.124 1.691 578 HG3 LYS 28 HG3 LYS 28 0.538 5.851 0.595 579 HD2 LYS 28 HD2 LYS 28 2.076 4.700 -0.999 580 HD3 LYS 28 HD3 LYS 28 3.411 4.954 0.148 581 HE2 LYS 28 HE2 LYS 28 2.209 3.652 1.868 582 HE3 LYS 28 HE3 LYS 28 0.854 3.404 0.756 583 HZ1 LYS 28 HZ1 LYS 28 2.388 1.500 0.794 584 HZ2 LYS 28 HZ2 LYS 28 3.635 2.429 0.286 585 HZ3 LYS 28 HZ3 LYS 28 2.353 2.159 -0.699 586 H LYS 29 H LYS 29 0.080 7.748 2.531 587 HA LYS 29 HA LYS 29 -2.583 7.667 1.484 588 HB2 LYS 29 HB2 LYS 29 -3.246 7.329 3.818 589 HB3 LYS 29 HB3 LYS 29 -1.899 6.297 3.335 590 HG2 LYS 29 HG2 LYS 29 -0.585 8.512 4.434 591 HG3 LYS 29 HG3 LYS 29 -2.051 8.433 5.402 592 HD2 LYS 29 HD2 LYS 29 -1.562 6.012 5.872 593 HD3 LYS 29 HD3 LYS 29 -0.070 6.167 4.912 594 HE2 LYS 29 HE2 LYS 29 0.758 7.908 6.482 595 HE3 LYS 29 HE3 LYS 29 -0.733 7.774 7.425 596 HZ1 LYS 29 HZ1 LYS 29 -0.142 5.457 7.907 597 HZ2 LYS 29 HZ2 LYS 29 1.055 6.449 8.402 598 HZ3 LYS 29 HZ3 LYS 29 1.235 5.576 7.035 599 H GLN 30 H GLN 30 -0.811 10.280 3.093 600 HA GLN 30 HA GLN 30 -3.141 11.901 3.623 601 HB2 GLN 30 HB2 GLN 30 -0.190 12.625 3.293 602 HB3 GLN 30 HB3 GLN 30 -1.423 13.803 3.689 603 HG2 GLN 30 HG2 GLN 30 -0.754 11.326 5.340 604 HG3 GLN 30 HG3 GLN 30 -0.198 12.963 5.691 605 HE21 GLN 30 HE21 GLN 30 -1.828 11.166 7.406 606 HE22 GLN 30 HE22 GLN 30 -3.327 12.048 7.660 607 H PHE 31 H PHE 31 -1.057 11.482 0.757 608 HA PHE 31 HA PHE 31 -1.952 13.809 -0.639 609 HB2 PHE 31 HB2 PHE 31 -0.302 11.509 -1.217 610 HB3 PHE 31 HB3 PHE 31 -1.421 11.764 -2.538 611 HD1 PHE 31 HD1 PHE 31 0.411 14.128 -0.222 612 HD2 PHE 31 HD2 PHE 31 -0.437 12.966 -4.295 613 HE1 PHE 31 HE1 PHE 31 1.845 15.951 -1.051 614 HE2 PHE 31 HE2 PHE 31 1.144 14.679 -5.107 615 HZ PHE 31 HZ PHE 31 2.282 16.207 -3.492 616 H ARG 32 H ARG 32 -3.227 10.460 -0.847 617 HA ARG 32 HA ARG 32 -5.410 11.175 -2.560 618 HB2 ARG 32 HB2 ARG 32 -4.625 8.881 -2.415 619 HB3 ARG 32 HB3 ARG 32 -4.945 8.832 -0.684 620 HG2 ARG 32 HG2 ARG 32 -6.678 7.602 -1.897 621 HG3 ARG 32 HG3 ARG 32 -7.371 8.989 -1.091 622 HD2 ARG 32 HD2 ARG 32 -7.080 10.207 -3.419 623 HD3 ARG 32 HD3 ARG 32 -6.905 8.599 -4.079 624 HE ARG 32 HE ARG 32 -9.317 9.865 -2.897 625 HH11 ARG 32 HH11 ARG 32 -8.098 6.763 -4.042 626 HH12 ARG 32 HH12 ARG 32 -9.714 6.116 -4.141 627 HH21 ARG 32 HH21 ARG 32 -11.167 9.040 -2.981 628 HH22 ARG 32 HH22 ARG 32 -11.477 7.394 -3.553 629 H GLU 33 H GLU 33 -5.398 10.689 0.980 630 HA GLU 33 HA GLU 33 -8.189 11.313 1.279 631 HB2 GLU 33 HB2 GLU 33 -5.912 11.473 3.295 632 HB3 GLU 33 HB3 GLU 33 -7.629 11.583 3.683 633 HG2 GLU 33 HG2 GLU 33 -6.146 9.167 2.647 634 HG3 GLU 33 HG3 GLU 33 -6.940 9.377 4.209 635 H PHE 34 H PHE 34 -5.307 13.534 1.603 636 HA PHE 34 HA PHE 34 -7.022 15.762 2.122 637 HB2 PHE 34 HB2 PHE 34 -5.257 16.750 2.807 638 HB3 PHE 34 HB3 PHE 34 -4.281 15.392 2.375 639 HD1 PHE 34 HD1 PHE 34 -2.981 15.407 0.249 640 HD2 PHE 34 HD2 PHE 34 -5.256 18.831 1.520 641 HE1 PHE 34 HE1 PHE 34 -1.692 16.842 -1.325 642 HE2 PHE 34 HE2 PHE 34 -4.030 20.242 -0.095 643 HZ PHE 34 HZ PHE 34 -2.204 19.273 -1.464 644 H LEU 35 H LEU 35 -5.870 14.359 -0.959 645 HA LEU 35 HA LEU 35 -6.744 16.423 -2.681 646 HB2 LEU 35 HB2 LEU 35 -6.026 13.629 -2.975 647 HB3 LEU 35 HB3 LEU 35 -7.575 13.818 -3.729 648 HG LEU 35 HG LEU 35 -5.840 14.099 -5.359 649 HD11 LEU 35 HD11 LEU 35 -6.837 16.908 -4.884 650 HD12 LEU 35 HD12 LEU 35 -7.941 15.601 -5.359 651 HD13 LEU 35 HD13 LEU 35 -6.587 16.014 -6.401 652 HD21 LEU 35 HD21 LEU 35 -4.752 16.350 -3.661 653 HD22 LEU 35 HD22 LEU 35 -4.156 15.789 -5.247 654 HD23 LEU 35 HD23 LEU 35 -4.045 14.736 -3.840 655 H ASP 36 H ASP 36 -8.679 13.651 -1.455 656 HA ASP 36 HA ASP 36 -11.122 14.618 -2.611 657 HB2 ASP 36 HB2 ASP 36 -10.643 12.570 -0.443 658 HB3 ASP 36 HB3 ASP 36 -12.205 12.895 -1.197 659 H TYR 37 H TYR 37 -9.732 15.073 0.642 660 HA TYR 37 HA TYR 37 -11.842 16.546 1.842 661 HB2 TYR 37 HB2 TYR 37 -9.986 15.827 3.106 662 HB3 TYR 37 HB3 TYR 37 -8.855 16.585 2.010 663 HD1 TYR 37 HD1 TYR 37 -11.824 18.144 3.730 664 HD2 TYR 37 HD2 TYR 37 -7.533 17.952 3.304 665 HE1 TYR 37 HE1 TYR 37 -11.573 20.114 5.228 666 HE2 TYR 37 HE2 TYR 37 -7.290 19.917 4.802 667 HH TYR 37 HH TYR 37 -8.372 21.534 6.023 668 H GLN 38 H GLN 38 -9.047 17.918 -0.093 669 HA GLN 38 HA GLN 38 -10.270 20.537 -0.083 670 HB2 GLN 38 HB2 GLN 38 -8.102 19.399 -1.872 671 HB3 GLN 38 HB3 GLN 38 -8.665 21.049 -1.966 672 HG2 GLN 38 HG2 GLN 38 -7.138 19.723 0.283 673 HG3 GLN 38 HG3 GLN 38 -6.637 21.077 -0.740 674 HE21 GLN 38 HE21 GLN 38 -6.531 21.066 2.158 675 HE22 GLN 38 HE22 GLN 38 -7.636 22.326 2.672 676 H LYS 39 H LYS 39 -10.546 17.833 -2.438 677 HA LYS 39 HA LYS 39 -11.954 19.217 -4.496 678 HB2 LYS 39 HB2 LYS 39 -11.994 16.397 -3.410 679 HB3 LYS 39 HB3 LYS 39 -13.147 16.850 -4.647 680 HG2 LYS 39 HG2 LYS 39 -11.590 17.055 -6.296 681 HG3 LYS 39 HG3 LYS 39 -10.204 17.336 -5.206 682 HD2 LYS 39 HD2 LYS 39 -10.096 15.042 -4.641 683 HD3 LYS 39 HD3 LYS 39 -11.754 14.715 -5.180 684 HE2 LYS 39 HE2 LYS 39 -11.078 15.015 -7.525 685 HE3 LYS 39 HE3 LYS 39 -9.436 15.399 -7.030 686 HZ1 LYS 39 HZ1 LYS 39 -9.563 13.020 -7.571 687 HZ2 LYS 39 HZ2 LYS 39 -10.855 12.808 -6.586 688 HZ3 LYS 39 HZ3 LYS 39 -9.411 13.126 -5.936 689 H TRP 40 H TRP 40 -13.320 17.548 -1.623 690 HA TRP 40 HA TRP 40 -15.996 18.546 -2.105 691 HB2 TRP 40 HB2 TRP 40 -14.647 16.802 -0.107 692 HB3 TRP 40 HB3 TRP 40 -16.112 17.593 0.415 693 HD1 TRP 40 HD1 TRP 40 -18.332 16.608 -0.230 694 HE1 TRP 40 HE1 TRP 40 -19.180 14.727 -1.741 695 HE3 TRP 40 HE3 TRP 40 -13.949 15.406 -2.609 696 HZ2 TRP 40 HZ2 TRP 40 -18.118 12.932 -3.717 697 HZ3 TRP 40 HZ3 TRP 40 -13.900 13.590 -4.298 698 HH2 TRP 40 HH2 TRP 40 -15.980 12.352 -4.868 699 H ARG 41 H ARG 41 -13.355 20.250 -0.807 700 HA ARG 41 HA ARG 41 -15.148 22.167 0.664 701 HB2 ARG 41 HB2 ARG 41 -12.267 21.378 0.827 702 HB3 ARG 41 HB3 ARG 41 -12.554 23.085 0.865 703 HG2 ARG 41 HG2 ARG 41 -12.391 22.279 3.116 704 HG3 ARG 41 HG3 ARG 41 -14.006 22.880 2.843 705 HD2 ARG 41 HD2 ARG 41 -13.266 19.898 2.801 706 HD3 ARG 41 HD3 ARG 41 -13.852 20.751 4.204 707 HE ARG 41 HE ARG 41 -15.381 20.204 1.709 708 HH11 ARG 41 HH11 ARG 41 -15.628 21.379 5.034 709 HH12 ARG 41 HH12 ARG 41 -17.353 21.125 5.031 710 HH21 ARG 41 HH21 ARG 41 -17.483 20.127 1.731 711 HH22 ARG 41 HH22 ARG 41 -18.400 20.462 3.184 712 H LYS 42 H LYS 42 -12.759 22.087 -1.952 713 HA LYS 42 HA LYS 42 -13.260 24.841 -2.829 714 HB2 LYS 42 HB2 LYS 42 -11.486 22.558 -3.819 715 HB3 LYS 42 HB3 LYS 42 -11.788 23.973 -4.809 716 HG2 LYS 42 HG2 LYS 42 -9.755 24.372 -3.719 717 HG3 LYS 42 HG3 LYS 42 -10.940 25.467 -3.034 718 HD2 LYS 42 HD2 LYS 42 -10.722 22.970 -1.474 719 HD3 LYS 42 HD3 LYS 42 -9.159 23.712 -1.690 720 HE2 LYS 42 HE2 LYS 42 -11.603 25.171 -0.589 721 HE3 LYS 42 HE3 LYS 42 -10.378 24.361 0.399 722 HZ1 LYS 42 HZ1 LYS 42 -8.699 25.822 -0.670 723 HZ2 LYS 42 HZ2 LYS 42 -9.787 26.660 0.234 724 HZ3 LYS 42 HZ3 LYS 42 -9.889 26.669 -1.398 725 H SER 43 H SER 43 -13.849 21.622 -4.349 726 HA SER 43 HA SER 43 -15.496 22.907 -6.454 727 HB2 SER 43 HB2 SER 43 -13.904 21.168 -7.105 728 HB3 SER 43 HB3 SER 43 -14.680 20.012 -6.016 729 HG SER 43 HG SER 43 -15.744 21.190 -8.366 730 H GLN 44 H GLN 44 -15.879 20.739 -3.655 731 HA GLN 44 HA GLN 44 -17.664 20.020 -2.492 732 HB2 GLN 44 HB2 GLN 44 -17.925 22.681 -2.543 733 HB3 GLN 44 HB3 GLN 44 -19.442 22.284 -3.330 734 HG2 GLN 44 HG2 GLN 44 -18.474 21.406 -0.573 735 HG3 GLN 44 HG3 GLN 44 -19.717 22.584 -0.918 736 HE21 GLN 44 HE21 GLN 44 -19.000 19.105 -0.785 737 HE22 GLN 44 HE22 GLN 44 -20.685 18.614 -0.902 738 H LYS 45 H LYS 45 -17.294 18.877 -4.970 739 HA LYS 45 HA LYS 45 -19.621 18.554 -6.563 740 HB2 LYS 45 HB2 LYS 45 -18.431 16.693 -7.566 741 HB3 LYS 45 HB3 LYS 45 -17.352 18.056 -7.294 742 HG2 LYS 45 HG2 LYS 45 -16.803 16.721 -5.016 743 HG3 LYS 45 HG3 LYS 45 -17.400 15.352 -5.947 744 HD2 LYS 45 HD2 LYS 45 -15.127 17.248 -6.672 745 HD3 LYS 45 HD3 LYS 45 -14.939 15.600 -6.091 746 HE2 LYS 45 HE2 LYS 45 -16.234 16.392 -8.744 747 HE3 LYS 45 HE3 LYS 45 -14.562 15.866 -8.540 748 HZ1 LYS 45 HZ1 LYS 45 -16.991 14.217 -8.065 749 HZ2 LYS 45 HZ2 LYS 45 -15.483 13.732 -7.637 750 HZ3 LYS 45 HZ3 LYS 45 -15.862 13.993 -9.206 751 H GLU 46 H GLU 46 -21.284 17.121 -6.606 752 HA GLU 46 HA GLU 46 -22.018 15.861 -4.055 753 HB2 GLU 46 HB2 GLU 46 -23.478 16.037 -6.718 754 HB3 GLU 46 HB3 GLU 46 -24.152 15.391 -5.213 755 HG2 GLU 46 HG2 GLU 46 -23.680 17.615 -4.112 756 HG3 GLU 46 HG3 GLU 46 -23.245 18.260 -5.697 757 H GLU 47 H GLU 47 -20.443 14.778 -6.882 758 HA GLU 47 HA GLU 47 -20.305 12.000 -5.961 759 HB2 GLU 47 HB2 GLU 47 -22.332 11.980 -7.358 760 HB3 GLU 47 HB3 GLU 47 -21.442 12.722 -8.696 761 HG2 GLU 47 HG2 GLU 47 -20.040 10.736 -8.933 762 HG3 GLU 47 HG3 GLU 47 -20.709 10.041 -7.452 763 H1 GLY 1 H1 GLY 1 -6.936 3.212 28.506 764 H2 GLY 1 H2 GLY 1 -7.994 3.715 29.655 765 H3 GLY 1 H3 GLY 1 -8.114 2.205 29.035 766 HA2 GLY 1 HA2 GLY 1 -6.013 1.547 29.995 767 HA3 GLY 1 HA3 GLY 1 -5.850 3.186 30.650 768 H SER 2 H SER 2 -6.088 2.986 32.844 769 HA SER 2 HA SER 2 -7.928 1.204 34.186 770 HB2 SER 2 HB2 SER 2 -7.379 2.567 36.167 771 HB3 SER 2 HB3 SER 2 -5.929 2.068 35.281 772 HG SER 2 HG SER 2 -5.862 4.288 35.866 773 H HIS 3 H HIS 3 -8.270 4.339 32.739 774 HA HIS 3 HA HIS 3 -11.201 4.255 33.170 775 HB2 HIS 3 HB2 HIS 3 -11.247 6.703 33.406 776 HB3 HIS 3 HB3 HIS 3 -10.348 5.947 34.712 777 HD1 HIS 3 HD1 HIS 3 -9.604 7.921 31.431 778 HD2 HIS 3 HD2 HIS 3 -7.843 6.703 35.063 779 HE1 HIS 3 HE1 HIS 3 -7.349 9.097 31.564 780 H MET 4 H MET 4 -12.286 5.705 31.493 781 HA MET 4 HA MET 4 -11.400 5.002 28.822 782 HB2 MET 4 HB2 MET 4 -13.577 6.925 29.733 783 HB3 MET 4 HB3 MET 4 -13.354 6.325 28.087 784 HG2 MET 4 HG2 MET 4 -14.016 4.622 30.522 785 HG3 MET 4 HG3 MET 4 -15.148 5.138 29.280 786 HE1 MET 4 HE1 MET 4 -15.899 2.559 29.208 787 HE2 MET 4 HE2 MET 4 -14.785 1.225 28.836 788 HE3 MET 4 HE3 MET 4 -14.616 2.122 30.361 789 H GLU 5 H GLU 5 -10.888 6.440 27.094 790 HA GLU 5 HA GLU 5 -8.890 8.381 27.743 791 HB2 GLU 5 HB2 GLU 5 -10.299 7.801 25.103 792 HB3 GLU 5 HB3 GLU 5 -8.864 8.789 25.281 793 HG2 GLU 5 HG2 GLU 5 -8.173 6.637 24.498 794 HG3 GLU 5 HG3 GLU 5 -7.545 6.920 26.117 795 H TYR 6 H TYR 6 -12.231 8.779 27.593 796 HA TYR 6 HA TYR 6 -11.988 11.663 28.017 797 HB2 TYR 6 HB2 TYR 6 -12.409 11.154 25.482 798 HB3 TYR 6 HB3 TYR 6 -14.039 10.743 25.985 799 HD1 TYR 6 HD1 TYR 6 -11.481 13.376 25.750 800 HD2 TYR 6 HD2 TYR 6 -15.618 12.553 26.616 801 HE1 TYR 6 HE1 TYR 6 -12.009 15.805 25.481 802 HE2 TYR 6 HE2 TYR 6 -16.099 15.002 26.605 803 HH TYR 6 HH TYR 6 -13.562 17.404 26.381 804 H ASP 7 H ASP 7 -13.598 12.474 29.340 805 HA ASP 7 HA ASP 7 -15.854 10.766 30.196 806 HB2 ASP 7 HB2 ASP 7 -13.827 10.044 31.493 807 HB3 ASP 7 HB3 ASP 7 -13.709 11.672 32.156 808 H GLY 8 H GLY 8 -16.281 12.948 28.794 809 HA2 GLY 8 HA2 GLY 8 -17.503 14.903 28.746 810 HA3 GLY 8 HA3 GLY 8 -17.808 14.715 30.475 811 H GLN 9 H GLN 9 -14.486 14.831 29.503 812 HA GLN 9 HA GLN 9 -14.128 17.693 30.183 813 HB2 GLN 9 HB2 GLN 9 -14.099 16.513 32.313 814 HB3 GLN 9 HB3 GLN 9 -12.983 15.305 31.682 815 HG2 GLN 9 HG2 GLN 9 -11.838 16.916 33.154 816 HG3 GLN 9 HG3 GLN 9 -11.175 16.927 31.531 817 HE21 GLN 9 HE21 GLN 9 -10.643 19.017 30.911 818 HE22 GLN 9 HE22 GLN 9 -11.571 20.442 31.379 819 H LEU 10 H LEU 10 -12.610 18.610 28.976 820 HA LEU 10 HA LEU 10 -11.089 17.106 27.030 821 HB2 LEU 10 HB2 LEU 10 -12.202 19.446 26.870 822 HB3 LEU 10 HB3 LEU 10 -10.794 20.060 27.717 823 HG LEU 10 HG LEU 10 -10.838 20.407 25.299 824 HD11 LEU 10 HD11 LEU 10 -8.664 20.057 24.880 825 HD12 LEU 10 HD12 LEU 10 -8.528 18.534 25.793 826 HD13 LEU 10 HD13 LEU 10 -8.683 20.081 26.648 827 HD21 LEU 10 HD21 LEU 10 -11.835 17.852 25.115 828 HD22 LEU 10 HD22 LEU 10 -10.183 17.653 24.480 829 HD23 LEU 10 HD23 LEU 10 -11.329 18.840 23.810 830 H ASP 11 H ASP 11 -9.015 16.590 26.991 831 HA ASP 11 HA ASP 11 -7.878 16.144 29.541 832 HB2 ASP 11 HB2 ASP 11 -8.008 14.707 27.237 833 HB3 ASP 11 HB3 ASP 11 -6.471 15.455 26.934 834 H SER 12 H SER 12 -7.666 18.834 28.704 835 HA SER 12 HA SER 12 -6.510 20.631 29.010 836 HB2 SER 12 HB2 SER 12 -4.555 18.964 30.605 837 HB3 SER 12 HB3 SER 12 -4.663 20.734 30.605 838 HG SER 12 HG SER 12 -6.670 18.885 31.434 839 H GLU 13 H GLU 13 -4.532 18.069 27.749 840 HA GLU 13 HA GLU 13 -2.366 19.574 26.626 841 HB2 GLU 13 HB2 GLU 13 -3.732 16.943 25.976 842 HB3 GLU 13 HB3 GLU 13 -2.313 17.493 25.076 843 HG2 GLU 13 HG2 GLU 13 -2.420 17.053 28.094 844 HG3 GLU 13 HG3 GLU 13 -1.810 15.886 26.932 845 H TRP 14 H TRP 14 -5.462 18.445 25.239 846 HA TRP 14 HA TRP 14 -5.024 19.713 22.693 847 HB2 TRP 14 HB2 TRP 14 -7.697 18.766 23.533 848 HB3 TRP 14 HB3 TRP 14 -6.865 18.646 21.980 849 HD1 TRP 14 HD1 TRP 14 -7.957 16.577 24.716 850 HE1 TRP 14 HE1 TRP 14 -6.642 14.389 24.936 851 HE3 TRP 14 HE3 TRP 14 -4.147 17.550 21.432 852 HZ2 TRP 14 HZ2 TRP 14 -4.138 13.294 24.017 853 HZ3 TRP 14 HZ3 TRP 14 -2.304 15.914 21.125 854 HH2 TRP 14 HH2 TRP 14 -2.274 13.796 22.422 855 H GLU 15 H GLU 15 -6.476 20.790 25.655 856 HA GLU 15 HA GLU 15 -7.882 23.127 24.714 857 HB2 GLU 15 HB2 GLU 15 -8.467 22.310 26.836 858 HB3 GLU 15 HB3 GLU 15 -6.791 22.201 27.377 859 HG2 GLU 15 HG2 GLU 15 -6.625 24.665 27.390 860 HG3 GLU 15 HG3 GLU 15 -8.317 24.784 26.886 861 H LYS 16 H LYS 16 -4.594 22.700 26.161 862 HA LYS 16 HA LYS 16 -3.876 25.443 25.606 863 HB2 LYS 16 HB2 LYS 16 -1.605 24.857 26.231 864 HB3 LYS 16 HB3 LYS 16 -2.830 24.377 27.399 865 HG2 LYS 16 HG2 LYS 16 -1.627 22.493 27.502 866 HG3 LYS 16 HG3 LYS 16 -2.648 22.052 26.167 867 HD2 LYS 16 HD2 LYS 16 -0.871 22.811 24.549 868 HD3 LYS 16 HD3 LYS 16 0.173 23.176 25.945 869 HE2 LYS 16 HE2 LYS 16 -0.151 20.778 26.706 870 HE3 LYS 16 HE3 LYS 16 -1.008 20.464 25.193 871 HZ1 LYS 16 HZ1 LYS 16 1.284 19.801 25.066 872 HZ2 LYS 16 HZ2 LYS 16 1.830 21.303 25.416 873 HZ3 LYS 16 HZ3 LYS 16 1.042 21.026 24.002 874 H LEU 17 H LEU 17 -3.725 22.594 23.573 875 HA LEU 17 HA LEU 17 -2.136 23.779 21.463 876 HB2 LEU 17 HB2 LEU 17 -4.133 21.511 21.566 877 HB3 LEU 17 HB3 LEU 17 -3.311 21.963 20.084 878 HG LEU 17 HG LEU 17 -1.696 21.378 22.600 879 HD11 LEU 17 HD11 LEU 17 -1.461 19.056 21.773 880 HD12 LEU 17 HD12 LEU 17 -2.735 19.380 20.558 881 HD13 LEU 17 HD13 LEU 17 -3.091 19.425 22.293 882 HD21 LEU 17 HD21 LEU 17 -1.126 21.239 19.635 883 HD22 LEU 17 HD22 LEU 17 -0.016 20.748 20.942 884 HD23 LEU 17 HD23 LEU 17 -0.495 22.443 20.778 885 H VAL 18 H VAL 18 -5.764 23.527 21.813 886 HA VAL 18 HA VAL 18 -6.251 25.076 19.425 887 HB VAL 18 HB VAL 18 -7.944 23.614 20.344 888 HG11 VAL 18 HG11 VAL 18 -9.289 24.303 22.326 889 HG12 VAL 18 HG12 VAL 18 -7.613 23.863 22.699 890 HG13 VAL 18 HG13 VAL 18 -8.065 25.553 22.664 891 HG21 VAL 18 HG21 VAL 18 -9.892 24.997 20.162 892 HG22 VAL 18 HG22 VAL 18 -8.988 26.467 20.525 893 HG23 VAL 18 HG23 VAL 18 -8.689 25.613 19.000 894 H ARG 19 H ARG 19 -5.998 26.122 22.849 895 HA ARG 19 HA ARG 19 -6.344 28.900 22.373 896 HB2 ARG 19 HB2 ARG 19 -6.391 27.475 24.515 897 HB3 ARG 19 HB3 ARG 19 -4.624 27.556 24.521 898 HG2 ARG 19 HG2 ARG 19 -4.700 29.959 24.868 899 HG3 ARG 19 HG3 ARG 19 -6.424 29.986 24.430 900 HD2 ARG 19 HD2 ARG 19 -6.139 30.251 26.825 901 HD3 ARG 19 HD3 ARG 19 -7.100 28.848 26.379 902 HE ARG 19 HE ARG 19 -4.213 28.402 26.939 903 HH11 ARG 19 HH11 ARG 19 -7.413 28.219 28.383 904 HH12 ARG 19 HH12 ARG 19 -7.064 26.660 29.132 905 HH21 ARG 19 HH21 ARG 19 -5.066 25.946 29.220 906 HH22 ARG 19 HH22 ARG 19 -3.772 26.624 28.262 907 H ASP 20 H ASP 20 -3.365 26.929 22.258 908 HA ASP 20 HA ASP 20 -1.533 28.960 21.476 909 HB2 ASP 20 HB2 ASP 20 -1.736 26.010 21.304 910 HB3 ASP 20 HB3 ASP 20 -0.841 26.711 19.975 911 H ALA 21 H ALA 21 -3.822 27.042 19.396 912 HA ALA 21 HA ALA 21 -2.891 28.268 16.974 913 HB1 ALA 21 HB1 ALA 21 -5.080 27.483 16.038 914 HB2 ALA 21 HB2 ALA 21 -4.151 26.244 16.892 915 HB3 ALA 21 HB3 ALA 21 -5.568 26.991 17.664 916 H MET 22 H MET 22 -5.641 29.127 19.104 917 HA MET 22 HA MET 22 -6.544 31.356 17.637 918 HB2 MET 22 HB2 MET 22 -6.610 30.960 20.639 919 HB3 MET 22 HB3 MET 22 -7.542 32.134 19.715 920 HG2 MET 22 HG2 MET 22 -8.154 29.335 20.240 921 HG3 MET 22 HG3 MET 22 -9.156 30.626 19.795 922 HE1 MET 22 HE1 MET 22 -8.520 31.427 16.594 923 HE2 MET 22 HE2 MET 22 -10.000 30.451 16.336 924 HE3 MET 22 HE3 MET 22 -9.800 31.401 17.824 925 H THR 23 H THR 23 -3.955 31.192 20.107 926 HA THR 23 HA THR 23 -3.444 34.080 19.938 927 HB THR 23 HB THR 23 -1.613 33.638 21.536 928 HG1 THR 23 HG1 THR 23 -2.653 31.025 21.689 929 HG21 THR 23 HG21 THR 23 -3.855 34.174 22.352 930 HG22 THR 23 HG22 THR 23 -3.053 33.015 23.430 931 HG23 THR 23 HG23 THR 23 -4.314 32.461 22.304 932 H SER 24 H SER 24 -1.843 31.205 18.550 933 HA SER 24 HA SER 24 0.415 32.811 17.662 934 HB2 SER 24 HB2 SER 24 0.389 30.338 18.454 935 HB3 SER 24 HB3 SER 24 -0.032 29.952 16.774 936 HG SER 24 HG SER 24 2.218 31.413 17.789 937 H GLY 25 H GLY 25 -2.540 33.002 16.502 938 HA2 GLY 25 HA2 GLY 25 -3.319 34.055 14.605 939 HA3 GLY 25 HA3 GLY 25 -1.670 34.125 13.978 940 H VAL 26 H VAL 26 -3.017 31.032 14.845 941 HA VAL 26 HA VAL 26 -2.640 29.929 12.181 942 HB VAL 26 HB VAL 26 -3.669 28.876 14.803 943 HG11 VAL 26 HG11 VAL 26 -3.295 26.565 13.804 944 HG12 VAL 26 HG12 VAL 26 -4.832 27.407 13.510 945 HG13 VAL 26 HG13 VAL 26 -3.606 27.369 12.248 946 HG21 VAL 26 HG21 VAL 26 -1.257 29.361 14.695 947 HG22 VAL 26 HG22 VAL 26 -1.512 27.620 14.760 948 HG23 VAL 26 HG23 VAL 26 -1.113 28.396 13.218 949 H SER 27 H SER 27 -4.166 29.146 10.739 950 HA SER 27 HA SER 27 -6.442 30.702 10.314 951 HB2 SER 27 HB2 SER 27 -5.788 27.957 9.228 952 HB3 SER 27 HB3 SER 27 -7.043 29.031 8.580 953 HG SER 27 HG SER 27 -5.452 30.514 8.016 954 H LYS 28 H LYS 28 -8.167 30.822 11.616 955 HA LYS 28 HA LYS 28 -9.016 28.759 13.350 956 HB2 LYS 28 HB2 LYS 28 -10.868 30.185 13.938 957 HB3 LYS 28 HB3 LYS 28 -9.390 31.131 13.783 958 HG2 LYS 28 HG2 LYS 28 -10.152 31.892 11.509 959 HG3 LYS 28 HG3 LYS 28 -11.663 30.992 11.745 960 HD2 LYS 28 HD2 LYS 28 -12.117 32.335 13.797 961 HD3 LYS 28 HD3 LYS 28 -10.660 33.286 13.501 962 HE2 LYS 28 HE2 LYS 28 -13.018 33.054 11.569 963 HE3 LYS 28 HE3 LYS 28 -12.840 34.340 12.765 964 HZ1 LYS 28 HZ1 LYS 28 -12.013 35.066 10.624 965 HZ2 LYS 28 HZ2 LYS 28 -10.946 33.838 10.530 966 HZ3 LYS 28 HZ3 LYS 28 -10.765 35.001 11.670 967 H LYS 29 H LYS 29 -10.053 29.348 9.998 968 HA LYS 29 HA LYS 29 -12.322 27.574 10.060 969 HB2 LYS 29 HB2 LYS 29 -12.149 27.631 7.645 970 HB3 LYS 29 HB3 LYS 29 -12.009 29.253 8.336 971 HG2 LYS 29 HG2 LYS 29 -9.344 28.442 8.127 972 HG3 LYS 29 HG3 LYS 29 -10.084 27.614 6.766 973 HD2 LYS 29 HD2 LYS 29 -10.216 30.595 7.397 974 HD3 LYS 29 HD3 LYS 29 -9.148 29.855 6.192 975 HE2 LYS 29 HE2 LYS 29 -11.129 29.050 4.914 976 HE3 LYS 29 HE3 LYS 29 -12.204 29.810 6.094 977 HZ1 LYS 29 HZ1 LYS 29 -11.245 31.969 5.479 978 HZ2 LYS 29 HZ2 LYS 29 -11.871 31.238 4.163 979 HZ3 LYS 29 HZ3 LYS 29 -10.256 31.267 4.384 980 H GLN 30 H GLN 30 -8.844 27.001 9.619 981 HA GLN 30 HA GLN 30 -9.100 24.351 8.583 982 HB2 GLN 30 HB2 GLN 30 -6.844 25.661 10.169 983 HB3 GLN 30 HB3 GLN 30 -6.772 24.049 9.487 984 HG2 GLN 30 HG2 GLN 30 -7.144 26.603 7.884 985 HG3 GLN 30 HG3 GLN 30 -5.627 25.718 8.086 986 HE21 GLN 30 HE21 GLN 30 -6.826 26.317 5.530 987 HE22 GLN 30 HE22 GLN 30 -7.259 24.762 4.832 988 H PHE 31 H PHE 31 -9.253 25.565 11.904 989 HA PHE 31 HA PHE 31 -8.970 23.036 13.241 990 HB2 PHE 31 HB2 PHE 31 -9.813 25.755 13.934 991 HB3 PHE 31 HB3 PHE 31 -10.832 24.557 14.701 992 HD1 PHE 31 HD1 PHE 31 -7.206 25.349 14.083 993 HD2 PHE 31 HD2 PHE 31 -10.110 23.422 16.637 994 HE1 PHE 31 HE1 PHE 31 -5.428 24.756 15.660 995 HE2 PHE 31 HE2 PHE 31 -8.318 22.869 18.236 996 HZ PHE 31 HZ PHE 31 -5.953 23.484 17.749 997 H ARG 32 H ARG 32 -11.984 24.645 12.120 998 HA ARG 32 HA ARG 32 -13.621 22.334 12.655 999 HB2 ARG 32 HB2 ARG 32 -14.616 24.541 12.541 1000 HB3 ARG 32 HB3 ARG 32 -14.000 24.793 10.909 1001 HG2 ARG 32 HG2 ARG 32 -16.399 24.306 10.867 1002 HG3 ARG 32 HG3 ARG 32 -15.492 23.073 10.017 1003 HD2 ARG 32 HD2 ARG 32 -15.614 21.702 12.239 1004 HD3 ARG 32 HD3 ARG 32 -16.866 22.831 12.733 1005 HE ARG 32 HE ARG 32 -16.971 20.679 10.754 1006 HH11 ARG 32 HH11 ARG 32 -18.735 23.565 11.734 1007 HH12 ARG 32 HH12 ARG 32 -20.095 23.148 10.730 1008 HH21 ARG 32 HH21 ARG 32 -18.519 20.393 9.369 1009 HH22 ARG 32 HH22 ARG 32 -20.022 21.312 9.445 1010 H GLU 33 H GLU 33 -12.242 23.526 9.589 1011 HA GLU 33 HA GLU 33 -13.329 21.377 8.045 1012 HB2 GLU 33 HB2 GLU 33 -10.902 23.116 7.483 1013 HB3 GLU 33 HB3 GLU 33 -11.728 22.085 6.312 1014 HG2 GLU 33 HG2 GLU 33 -12.821 24.590 7.608 1015 HG3 GLU 33 HG3 GLU 33 -12.428 24.326 5.917 1016 H PHE 34 H PHE 34 -10.130 21.541 9.719 1017 HA PHE 34 HA PHE 34 -9.332 18.967 8.695 1018 HB2 PHE 34 HB2 PHE 34 -7.788 20.799 9.508 1019 HB3 PHE 34 HB3 PHE 34 -8.190 20.291 11.152 1020 HD1 PHE 34 HD1 PHE 34 -7.572 17.892 11.875 1021 HD2 PHE 34 HD2 PHE 34 -6.331 19.579 8.101 1022 HE1 PHE 34 HE1 PHE 34 -5.959 16.062 11.575 1023 HE2 PHE 34 HE2 PHE 34 -4.635 17.780 7.857 1024 HZ PHE 34 HZ PHE 34 -4.443 16.011 9.596 1025 H LEU 35 H LEU 35 -11.083 20.035 11.662 1026 HA LEU 35 HA LEU 35 -11.263 17.489 12.930 1027 HB2 LEU 35 HB2 LEU 35 -12.644 20.039 13.085 1028 HB3 LEU 35 HB3 LEU 35 -13.850 18.787 13.030 1029 HG LEU 35 HG LEU 35 -13.354 19.314 15.306 1030 HD11 LEU 35 HD11 LEU 35 -13.107 17.193 16.159 1031 HD12 LEU 35 HD12 LEU 35 -11.958 16.674 14.905 1032 HD13 LEU 35 HD13 LEU 35 -13.683 16.865 14.530 1033 HD21 LEU 35 HD21 LEU 35 -10.461 18.615 14.747 1034 HD22 LEU 35 HD22 LEU 35 -11.193 19.095 16.301 1035 HD23 LEU 35 HD23 LEU 35 -11.116 20.247 14.973 1036 H ASP 36 H ASP 36 -13.456 18.947 10.473 1037 HA ASP 36 HA ASP 36 -15.025 16.634 10.020 1038 HB2 ASP 36 HB2 ASP 36 -14.416 18.985 8.212 1039 HB3 ASP 36 HB3 ASP 36 -15.533 17.691 7.789 1040 H TYR 37 H TYR 37 -11.952 17.601 8.433 1041 HA TYR 37 HA TYR 37 -11.821 15.534 6.509 1042 HB2 TYR 37 HB2 TYR 37 -10.334 17.430 6.440 1043 HB3 TYR 37 HB3 TYR 37 -9.706 17.048 8.033 1044 HD1 TYR 37 HD1 TYR 37 -7.449 16.657 7.834 1045 HD2 TYR 37 HD2 TYR 37 -10.162 14.787 5.069 1046 HE1 TYR 37 HE1 TYR 37 -5.537 15.415 6.809 1047 HE2 TYR 37 HE2 TYR 37 -8.278 13.580 4.039 1048 HH TYR 37 HH TYR 37 -4.901 13.855 5.233 1049 H GLN 38 H GLN 38 -10.453 15.488 9.889 1050 HA GLN 38 HA GLN 38 -9.597 12.715 9.589 1051 HB2 GLN 38 HB2 GLN 38 -10.024 14.467 12.033 1052 HB3 GLN 38 HB3 GLN 38 -9.458 12.792 12.111 1053 HG2 GLN 38 HG2 GLN 38 -8.051 15.005 10.562 1054 HG3 GLN 38 HG3 GLN 38 -7.585 14.446 12.174 1055 HE21 GLN 38 HE21 GLN 38 -5.950 12.520 9.161 1056 HE22 GLN 38 HE22 GLN 38 -6.626 14.138 9.041 1057 H LYS 39 H LYS 39 -12.537 14.236 10.975 1058 HA LYS 39 HA LYS 39 -13.913 11.878 11.789 1059 HB2 LYS 39 HB2 LYS 39 -14.747 14.584 10.725 1060 HB3 LYS 39 HB3 LYS 39 -15.954 13.356 11.035 1061 HG2 LYS 39 HG2 LYS 39 -15.587 13.313 13.315 1062 HG3 LYS 39 HG3 LYS 39 -14.028 14.142 13.290 1063 HD2 LYS 39 HD2 LYS 39 -15.056 16.237 12.758 1064 HD3 LYS 39 HD3 LYS 39 -16.583 15.472 12.282 1065 HE2 LYS 39 HE2 LYS 39 -16.931 14.792 14.678 1066 HE3 LYS 39 HE3 LYS 39 -15.478 15.701 15.111 1067 HZ1 LYS 39 HZ1 LYS 39 -17.441 17.119 15.400 1068 HZ2 LYS 39 HZ2 LYS 39 -17.940 16.833 13.873 1069 HZ3 LYS 39 HZ3 LYS 39 -16.588 17.700 14.137 1070 H TRP 40 H TRP 40 -13.667 13.312 8.527 1071 HA TRP 40 HA TRP 40 -15.364 11.802 6.982 1072 HB2 TRP 40 HB2 TRP 40 -13.584 13.720 6.445 1073 HB3 TRP 40 HB3 TRP 40 -12.592 12.384 5.933 1074 HD1 TRP 40 HD1 TRP 40 -13.624 10.908 3.836 1075 HE1 TRP 40 HE1 TRP 40 -15.044 11.661 1.832 1076 HE3 TRP 40 HE3 TRP 40 -15.030 15.564 5.509 1077 HZ2 TRP 40 HZ2 TRP 40 -16.667 13.928 1.096 1078 HZ3 TRP 40 HZ3 TRP 40 -16.514 16.982 4.133 1079 HH2 TRP 40 HH2 TRP 40 -17.361 16.173 1.948 1080 H ARG 41 H ARG 41 -12.294 10.680 8.288 1081 HA ARG 41 HA ARG 41 -12.588 8.090 6.813 1082 HB2 ARG 41 HB2 ARG 41 -10.670 9.594 6.147 1083 HB3 ARG 41 HB3 ARG 41 -10.038 9.452 7.783 1084 HG2 ARG 41 HG2 ARG 41 -8.884 7.946 6.211 1085 HG3 ARG 41 HG3 ARG 41 -9.690 7.043 7.490 1086 HD2 ARG 41 HD2 ARG 41 -9.965 5.944 5.310 1087 HD3 ARG 41 HD3 ARG 41 -11.521 6.442 5.978 1088 HE ARG 41 HE ARG 41 -10.160 8.286 4.059 1089 HH11 ARG 41 HH11 ARG 41 -11.045 8.901 2.355 1090 HH12 ARG 41 HH12 ARG 41 -12.574 8.246 1.757 1091 HH21 ARG 41 HH21 ARG 41 -12.791 5.971 4.372 1092 HH22 ARG 41 HH22 ARG 41 -13.553 6.579 2.927 1093 H LYS 42 H LYS 42 -11.628 9.528 9.924 1094 HA LYS 42 HA LYS 42 -11.297 6.973 11.296 1095 HB2 LYS 42 HB2 LYS 42 -11.709 9.761 12.442 1096 HB3 LYS 42 HB3 LYS 42 -11.140 8.348 13.314 1097 HG2 LYS 42 HG2 LYS 42 -9.633 9.800 11.089 1098 HG3 LYS 42 HG3 LYS 42 -9.324 9.867 12.812 1099 HD2 LYS 42 HD2 LYS 42 -7.700 8.409 12.202 1100 HD3 LYS 42 HD3 LYS 42 -8.978 7.256 12.596 1101 HE2 LYS 42 HE2 LYS 42 -9.549 7.143 10.137 1102 HE3 LYS 42 HE3 LYS 42 -8.245 8.286 9.796 1103 HZ1 LYS 42 HZ1 LYS 42 -7.878 5.596 11.017 1104 HZ2 LYS 42 HZ2 LYS 42 -6.675 6.655 10.707 1105 HZ3 LYS 42 HZ3 LYS 42 -7.513 5.990 9.476 1106 H SER 43 H SER 43 -14.096 9.006 10.666 1107 HA SER 43 HA SER 43 -15.787 6.985 12.095 1108 HB2 SER 43 HB2 SER 43 -15.582 8.979 13.468 1109 HB3 SER 43 HB3 SER 43 -16.063 10.001 12.111 1110 HG SER 43 HG SER 43 -17.662 7.992 13.370 1111 H GLN 44 H GLN 44 -15.455 9.136 9.299 1112 HA GLN 44 HA GLN 44 -16.348 9.144 7.291 1113 HB2 GLN 44 HB2 GLN 44 -15.888 6.515 7.788 1114 HB3 GLN 44 HB3 GLN 44 -17.591 6.444 7.365 1115 HG2 GLN 44 HG2 GLN 44 -15.214 7.331 5.703 1116 HG3 GLN 44 HG3 GLN 44 -16.316 6.010 5.396 1117 HE21 GLN 44 HE21 GLN 44 -15.806 9.490 5.042 1118 HE22 GLN 44 HE22 GLN 44 -17.206 9.742 3.992 1119 H LYS 45 H LYS 45 -17.930 10.117 9.492 1120 HA LYS 45 HA LYS 45 -20.733 9.685 8.887 1121 HB2 LYS 45 HB2 LYS 45 -21.160 11.211 10.660 1122 HB3 LYS 45 HB3 LYS 45 -19.815 10.177 11.114 1123 HG2 LYS 45 HG2 LYS 45 -18.513 12.401 10.008 1124 HG3 LYS 45 HG3 LYS 45 -19.935 13.128 10.752 1125 HD2 LYS 45 HD2 LYS 45 -17.810 11.402 12.051 1126 HD3 LYS 45 HD3 LYS 45 -18.059 13.122 12.322 1127 HE2 LYS 45 HE2 LYS 45 -19.919 12.804 13.691 1128 HE3 LYS 45 HE3 LYS 45 -20.342 11.258 12.953 1129 HZ1 LYS 45 HZ1 LYS 45 -18.440 10.242 14.017 1130 HZ2 LYS 45 HZ2 LYS 45 -19.390 10.933 15.163 1131 HZ3 LYS 45 HZ3 LYS 45 -17.976 11.640 14.712 1132 H GLU 46 H GLU 46 -18.424 11.829 7.579 1133 HA GLU 46 HA GLU 46 -18.368 13.429 6.023 1134 HB2 GLU 46 HB2 GLU 46 -19.573 11.710 4.765 1135 HB3 GLU 46 HB3 GLU 46 -21.116 12.459 5.200 1136 HG2 GLU 46 HG2 GLU 46 -20.461 14.536 4.041 1137 HG3 GLU 46 HG3 GLU 46 -18.894 13.825 3.636 1138 H GLU 47 H GLU 47 -21.396 13.675 7.887 1139 HA GLU 47 HA GLU 47 -20.987 16.587 8.191 1140 HB2 GLU 47 HB2 GLU 47 -23.210 17.176 7.514 1141 HB3 GLU 47 HB3 GLU 47 -22.389 16.367 6.180 1142 HG2 GLU 47 HG2 GLU 47 -23.609 14.240 6.784 1143 HG3 GLU 47 HG3 GLU 47 -24.503 15.145 8.012 1144 H1 GLY 1 H1 GLY 1 -18.359 43.175 20.302 1145 H2 GLY 1 H2 GLY 1 -16.728 43.143 20.147 1146 H3 GLY 1 H3 GLY 1 -17.406 43.697 21.530 1147 HA2 GLY 1 HA2 GLY 1 -18.307 41.519 22.038 1148 HA3 GLY 1 HA3 GLY 1 -17.553 40.921 20.549 1149 H SER 2 H SER 2 -16.515 39.379 22.048 1150 HA SER 2 HA SER 2 -14.688 40.103 24.084 1151 HB2 SER 2 HB2 SER 2 -14.640 37.628 22.318 1152 HB3 SER 2 HB3 SER 2 -13.866 37.813 23.903 1153 HG SER 2 HG SER 2 -15.897 36.761 24.063 1154 H HIS 3 H HIS 3 -12.440 40.234 24.191 1155 HA HIS 3 HA HIS 3 -11.112 41.464 21.946 1156 HB2 HIS 3 HB2 HIS 3 -9.982 40.437 24.580 1157 HB3 HIS 3 HB3 HIS 3 -9.156 41.504 23.451 1158 HD1 HIS 3 HD1 HIS 3 -9.457 42.583 26.299 1159 HD2 HIS 3 HD2 HIS 3 -12.282 43.171 23.233 1160 HE1 HIS 3 HE1 HIS 3 -10.771 44.675 26.926 1161 H MET 4 H MET 4 -9.360 40.808 20.748 1162 HA MET 4 HA MET 4 -9.324 38.009 19.960 1163 HB2 MET 4 HB2 MET 4 -7.607 40.363 19.070 1164 HB3 MET 4 HB3 MET 4 -7.702 38.788 18.268 1165 HG2 MET 4 HG2 MET 4 -10.090 39.134 17.797 1166 HG3 MET 4 HG3 MET 4 -10.061 40.670 18.664 1167 HE1 MET 4 HE1 MET 4 -11.407 40.819 16.041 1168 HE2 MET 4 HE2 MET 4 -10.975 42.231 17.029 1169 HE3 MET 4 HE3 MET 4 -10.617 42.222 15.286 1170 H GLU 5 H GLU 5 -7.259 40.011 21.997 1171 HA GLU 5 HA GLU 5 -5.146 37.957 22.236 1172 HB2 GLU 5 HB2 GLU 5 -5.602 40.573 23.721 1173 HB3 GLU 5 HB3 GLU 5 -4.235 39.467 23.956 1174 HG2 GLU 5 HG2 GLU 5 -3.680 39.734 21.508 1175 HG3 GLU 5 HG3 GLU 5 -4.919 40.989 21.403 1176 H TYR 6 H TYR 6 -5.446 36.209 23.446 1177 HA TYR 6 HA TYR 6 -7.592 36.045 25.445 1178 HB2 TYR 6 HB2 TYR 6 -5.587 34.036 24.376 1179 HB3 TYR 6 HB3 TYR 6 -6.802 33.666 25.580 1180 HD1 TYR 6 HD1 TYR 6 -8.467 35.852 23.266 1181 HD2 TYR 6 HD2 TYR 6 -6.929 31.861 23.733 1182 HE1 TYR 6 HE1 TYR 6 -10.102 35.020 21.612 1183 HE2 TYR 6 HE2 TYR 6 -8.570 31.003 22.111 1184 HH TYR 6 HH TYR 6 -10.927 33.226 20.507 1185 H ASP 7 H ASP 7 -7.314 35.197 27.543 1186 HA ASP 7 HA ASP 7 -4.624 35.202 28.782 1187 HB2 ASP 7 HB2 ASP 7 -5.605 37.454 29.150 1188 HB3 ASP 7 HB3 ASP 7 -6.998 36.715 29.938 1189 H GLY 8 H GLY 8 -5.402 32.914 28.148 1190 HA2 GLY 8 HA2 GLY 8 -5.670 30.790 29.137 1191 HA3 GLY 8 HA3 GLY 8 -6.419 31.521 30.553 1192 H GLN 9 H GLN 9 -8.216 33.063 28.564 1193 HA GLN 9 HA GLN 9 -10.541 31.475 28.390 1194 HB2 GLN 9 HB2 GLN 9 -10.355 33.977 28.237 1195 HB3 GLN 9 HB3 GLN 9 -9.582 33.792 26.666 1196 HG2 GLN 9 HG2 GLN 9 -11.812 32.600 25.949 1197 HG3 GLN 9 HG3 GLN 9 -12.479 33.287 27.429 1198 HE21 GLN 9 HE21 GLN 9 -10.617 34.189 24.438 1199 HE22 GLN 9 HE22 GLN 9 -11.407 35.739 24.266 1200 H LEU 10 H LEU 10 -11.477 30.305 26.713 1201 HA LEU 10 HA LEU 10 -10.231 30.337 24.076 1202 HB2 LEU 10 HB2 LEU 10 -9.369 28.263 25.242 1203 HB3 LEU 10 HB3 LEU 10 -11.035 27.672 25.346 1204 HG LEU 10 HG LEU 10 -9.573 26.648 23.717 1205 HD11 LEU 10 HD11 LEU 10 -12.105 26.907 23.351 1206 HD12 LEU 10 HD12 LEU 10 -11.050 26.305 22.062 1207 HD13 LEU 10 HD13 LEU 10 -11.624 27.993 22.028 1208 HD21 LEU 10 HD21 LEU 10 -8.426 28.944 23.299 1209 HD22 LEU 10 HD22 LEU 10 -9.693 29.170 22.063 1210 HD23 LEU 10 HD23 LEU 10 -8.543 27.830 21.961 1211 H ASP 11 H ASP 11 -11.707 30.509 22.490 1212 HA ASP 11 HA ASP 11 -14.381 31.188 23.114 1213 HB2 ASP 11 HB2 ASP 11 -12.744 31.626 21.020 1214 HB3 ASP 11 HB3 ASP 11 -13.596 30.253 20.373 1215 H SER 12 H SER 12 -16.316 30.051 23.073 1216 HA SER 12 HA SER 12 -16.338 27.245 23.456 1217 HB2 SER 12 HB2 SER 12 -18.042 28.617 24.306 1218 HB3 SER 12 HB3 SER 12 -18.551 29.133 22.677 1219 HG SER 12 HG SER 12 -19.891 27.471 23.575 1220 H GLU 13 H GLU 13 -16.590 29.117 20.488 1221 HA GLU 13 HA GLU 13 -17.394 27.112 18.656 1222 HB2 GLU 13 HB2 GLU 13 -15.650 29.595 18.413 1223 HB3 GLU 13 HB3 GLU 13 -16.091 28.630 17.020 1224 HG2 GLU 13 HG2 GLU 13 -18.072 29.951 18.923 1225 HG3 GLU 13 HG3 GLU 13 -17.539 30.645 17.396 1226 H TRP 14 H TRP 14 -14.183 27.621 20.063 1227 HA TRP 14 HA TRP 14 -13.091 25.541 18.239 1228 HB2 TRP 14 HB2 TRP 14 -11.253 26.990 20.022 1229 HB3 TRP 14 HB3 TRP 14 -11.032 26.366 18.398 1230 HD1 TRP 14 HD1 TRP 14 -11.116 29.473 20.111 1231 HE1 TRP 14 HE1 TRP 14 -11.944 31.456 18.701 1232 HE3 TRP 14 HE3 TRP 14 -12.913 26.918 16.055 1233 HZ2 TRP 14 HZ2 TRP 14 -13.247 31.883 16.161 1234 HZ3 TRP 14 HZ3 TRP 14 -13.911 28.135 14.132 1235 HH2 TRP 14 HH2 TRP 14 -14.103 30.613 14.181 1236 H GLU 15 H GLU 15 -13.738 26.194 21.620 1237 HA GLU 15 HA GLU 15 -12.664 23.902 22.879 1238 HB2 GLU 15 HB2 GLU 15 -13.671 25.562 24.262 1239 HB3 GLU 15 HB3 GLU 15 -15.152 25.590 23.301 1240 HG2 GLU 15 HG2 GLU 15 -15.807 23.396 24.083 1241 HG3 GLU 15 HG3 GLU 15 -14.311 23.241 25.025 1242 H LYS 16 H LYS 16 -15.769 24.373 21.216 1243 HA LYS 16 HA LYS 16 -16.705 21.678 21.664 1244 HB2 LYS 16 HB2 LYS 16 -18.482 22.122 20.113 1245 HB3 LYS 16 HB3 LYS 16 -18.226 23.469 21.216 1246 HG2 LYS 16 HG2 LYS 16 -18.402 24.726 19.413 1247 HG3 LYS 16 HG3 LYS 16 -16.709 24.329 19.154 1248 HD2 LYS 16 HD2 LYS 16 -17.334 22.494 17.622 1249 HD3 LYS 16 HD3 LYS 16 -19.049 22.804 17.900 1250 HE2 LYS 16 HE2 LYS 16 -17.110 24.873 16.780 1251 HE3 LYS 16 HE3 LYS 16 -18.060 23.802 15.752 1252 HZ1 LYS 16 HZ1 LYS 16 -19.422 25.472 17.765 1253 HZ2 LYS 16 HZ2 LYS 16 -20.029 24.870 16.373 1254 HZ3 LYS 16 HZ3 LYS 16 -18.982 26.146 16.365 1255 H LEU 17 H LEU 17 -14.756 22.993 19.071 1256 HA LEU 17 HA LEU 17 -14.776 20.687 17.330 1257 HB2 LEU 17 HB2 LEU 17 -12.724 22.897 17.709 1258 HB3 LEU 17 HB3 LEU 17 -12.709 21.762 16.383 1259 HG LEU 17 HG LEU 17 -15.054 23.618 16.933 1260 HD11 LEU 17 HD11 LEU 17 -12.794 24.723 16.403 1261 HD12 LEU 17 HD12 LEU 17 -14.174 25.110 15.355 1262 HD13 LEU 17 HD13 LEU 17 -12.934 23.951 14.813 1263 HD21 LEU 17 HD21 LEU 17 -14.250 21.856 14.598 1264 HD22 LEU 17 HD22 LEU 17 -15.501 23.127 14.506 1265 HD23 LEU 17 HD23 LEU 17 -15.728 21.733 15.575 1266 H VAL 18 H VAL 18 -12.456 21.763 19.922 1267 HA VAL 18 HA VAL 18 -10.828 19.399 19.545 1268 HB VAL 18 HB VAL 18 -9.933 21.386 20.591 1269 HG11 VAL 18 HG11 VAL 18 -10.331 21.701 23.083 1270 HG12 VAL 18 HG12 VAL 18 -11.595 22.259 21.963 1271 HG13 VAL 18 HG13 VAL 18 -11.840 20.777 22.882 1272 HG21 VAL 18 HG21 VAL 18 -8.897 19.182 20.935 1273 HG22 VAL 18 HG22 VAL 18 -8.671 20.289 22.302 1274 HG23 VAL 18 HG23 VAL 18 -9.821 18.934 22.414 1275 H ARG 19 H ARG 19 -13.494 19.992 21.896 1276 HA ARG 19 HA ARG 19 -13.305 17.407 23.146 1277 HB2 ARG 19 HB2 ARG 19 -15.650 19.307 22.747 1278 HB3 ARG 19 HB3 ARG 19 -15.652 17.859 23.813 1279 HG2 ARG 19 HG2 ARG 19 -13.635 19.007 24.947 1280 HG3 ARG 19 HG3 ARG 19 -14.117 20.474 24.153 1281 HD2 ARG 19 HD2 ARG 19 -16.052 18.865 25.876 1282 HD3 ARG 19 HD3 ARG 19 -14.873 19.967 26.564 1283 HE ARG 19 HE ARG 19 -16.086 21.801 25.865 1284 HH11 ARG 19 HH11 ARG 19 -19.032 19.945 23.952 1285 HH12 ARG 19 HH12 ARG 19 -17.620 19.018 24.373 1286 HH21 ARG 19 HH21 ARG 19 -17.848 22.855 25.394 1287 HH22 ARG 19 HH22 ARG 19 -19.166 22.099 24.507 1288 H ASP 20 H ASP 20 -15.040 18.510 20.284 1289 HA ASP 20 HA ASP 20 -16.285 16.044 19.520 1290 HB2 ASP 20 HB2 ASP 20 -15.449 18.580 18.167 1291 HB3 ASP 20 HB3 ASP 20 -15.627 17.193 17.133 1292 H ALA 21 H ALA 21 -12.939 17.252 18.799 1293 HA ALA 21 HA ALA 21 -12.283 15.014 17.131 1294 HB1 ALA 21 HB1 ALA 21 -10.470 16.789 18.821 1295 HB2 ALA 21 HB2 ALA 21 -9.951 15.718 17.514 1296 HB3 ALA 21 HB3 ALA 21 -11.004 17.097 17.146 1297 H MET 22 H MET 22 -11.826 15.597 20.631 1298 HA MET 22 HA MET 22 -10.577 13.147 21.281 1299 HB2 MET 22 HB2 MET 22 -12.340 15.061 22.806 1300 HB3 MET 22 HB3 MET 22 -11.908 13.500 23.497 1301 HG2 MET 22 HG2 MET 22 -9.786 15.426 22.526 1302 HG3 MET 22 HG3 MET 22 -10.465 15.469 24.129 1303 HE1 MET 22 HE1 MET 22 -8.499 12.972 21.642 1304 HE2 MET 22 HE2 MET 22 -7.704 14.459 22.218 1305 HE3 MET 22 HE3 MET 22 -7.125 12.875 22.776 1306 H THR 23 H THR 23 -14.132 13.891 21.069 1307 HA THR 23 HA THR 23 -14.818 11.144 21.778 1308 HB THR 23 HB THR 23 -17.144 11.818 21.473 1309 HG1 THR 23 HG1 THR 23 -17.091 13.307 19.872 1310 HG21 THR 23 HG21 THR 23 -15.521 13.820 23.090 1311 HG22 THR 23 HG22 THR 23 -16.061 12.220 23.630 1312 HG23 THR 23 HG23 THR 23 -17.254 13.481 23.264 1313 H SER 24 H SER 24 -14.629 12.871 18.657 1314 HA SER 24 HA SER 24 -15.989 10.698 17.281 1315 HB2 SER 24 HB2 SER 24 -16.150 13.172 16.717 1316 HB3 SER 24 HB3 SER 24 -14.578 13.012 15.910 1317 HG SER 24 HG SER 24 -15.492 11.273 14.714 1318 H GLY 25 H GLY 25 -13.052 10.564 18.572 1319 HA2 GLY 25 HA2 GLY 25 -11.361 9.015 18.302 1320 HA3 GLY 25 HA3 GLY 25 -12.243 8.326 16.934 1321 H VAL 26 H VAL 26 -11.337 11.695 16.916 1322 HA VAL 26 HA VAL 26 -9.891 11.499 14.411 1323 HB VAL 26 HB VAL 26 -10.506 13.695 16.375 1324 HG11 VAL 26 HG11 VAL 26 -8.777 13.979 13.976 1325 HG12 VAL 26 HG12 VAL 26 -9.829 15.302 14.523 1326 HG13 VAL 26 HG13 VAL 26 -8.575 14.640 15.595 1327 HG21 VAL 26 HG21 VAL 26 -11.445 13.100 13.540 1328 HG22 VAL 26 HG22 VAL 26 -12.374 12.824 15.021 1329 HG23 VAL 26 HG23 VAL 26 -11.980 14.468 14.530 1330 H SER 27 H SER 27 -7.700 11.851 13.984 1331 HA SER 27 HA SER 27 -5.908 10.521 15.682 1332 HB2 SER 27 HB2 SER 27 -5.323 12.430 13.411 1333 HB3 SER 27 HB3 SER 27 -4.109 11.410 14.187 1334 HG SER 27 HG SER 27 -6.132 10.794 12.390 1335 H LYS 28 H LYS 28 -5.360 11.198 17.663 1336 HA LYS 28 HA LYS 28 -5.420 13.883 18.516 1337 HB2 LYS 28 HB2 LYS 28 -4.610 13.124 20.630 1338 HB3 LYS 28 HB3 LYS 28 -5.758 11.955 19.993 1339 HG2 LYS 28 HG2 LYS 28 -3.861 10.481 19.301 1340 HG3 LYS 28 HG3 LYS 28 -2.716 11.660 19.973 1341 HD2 LYS 28 HD2 LYS 28 -3.787 11.412 22.205 1342 HD3 LYS 28 HD3 LYS 28 -4.868 10.176 21.557 1343 HE2 LYS 28 HE2 LYS 28 -1.815 9.999 21.570 1344 HE3 LYS 28 HE3 LYS 28 -2.851 9.329 22.830 1345 HZ1 LYS 28 HZ1 LYS 28 -3.886 7.900 21.148 1346 HZ2 LYS 28 HZ2 LYS 28 -2.281 7.631 21.222 1347 HZ3 LYS 28 HZ3 LYS 28 -2.897 8.487 19.981 1348 H LYS 29 H LYS 29 -2.660 12.156 17.078 1349 HA LYS 29 HA LYS 29 -0.681 14.099 17.845 1350 HB2 LYS 29 HB2 LYS 29 0.663 13.061 16.128 1351 HB3 LYS 29 HB3 LYS 29 -0.144 11.836 17.112 1352 HG2 LYS 29 HG2 LYS 29 -1.912 12.190 14.978 1353 HG3 LYS 29 HG3 LYS 29 -0.356 12.514 14.227 1354 HD2 LYS 29 HD2 LYS 29 -1.149 10.038 15.826 1355 HD3 LYS 29 HD3 LYS 29 -1.089 10.128 14.057 1356 HE2 LYS 29 HE2 LYS 29 1.352 10.587 14.146 1357 HE3 LYS 29 HE3 LYS 29 1.315 10.495 15.909 1358 HZ1 LYS 29 HZ1 LYS 29 0.642 8.251 14.078 1359 HZ2 LYS 29 HZ2 LYS 29 0.604 8.169 15.710 1360 HZ3 LYS 29 HZ3 LYS 29 2.022 8.388 14.936 1361 H GLN 30 H GLN 30 -3.045 13.968 15.220 1362 HA GLN 30 HA GLN 30 -1.797 15.879 13.507 1363 HB2 GLN 30 HB2 GLN 30 -4.742 15.165 13.841 1364 HB3 GLN 30 HB3 GLN 30 -4.078 16.177 12.568 1365 HG2 GLN 30 HG2 GLN 30 -3.347 13.274 13.044 1366 HG3 GLN 30 HG3 GLN 30 -4.527 13.847 11.853 1367 HE21 GLN 30 HE21 GLN 30 -1.310 13.130 10.174 1368 HE22 GLN 30 HE22 GLN 30 -2.419 12.194 11.155 1369 H PHE 31 H PHE 31 -3.832 16.312 16.354 1370 HA PHE 31 HA PHE 31 -4.536 19.054 15.961 1371 HB2 PHE 31 HB2 PHE 31 -4.527 17.136 18.194 1372 HB3 PHE 31 HB3 PHE 31 -4.061 18.744 18.715 1373 HD1 PHE 31 HD1 PHE 31 -5.739 20.229 19.326 1374 HD2 PHE 31 HD2 PHE 31 -6.629 17.153 16.428 1375 HE1 PHE 31 HE1 PHE 31 -8.091 20.986 19.226 1376 HE2 PHE 31 HE2 PHE 31 -8.942 17.963 16.275 1377 HZ PHE 31 HZ PHE 31 -9.691 19.913 17.629 1378 H ARG 32 H ARG 32 -1.686 17.717 17.708 1379 HA ARG 32 HA ARG 32 -0.363 20.280 17.921 1380 HB2 ARG 32 HB2 ARG 32 0.084 18.470 19.509 1381 HB3 ARG 32 HB3 ARG 32 0.599 17.408 18.200 1382 HG2 ARG 32 HG2 ARG 32 2.554 18.227 19.381 1383 HG3 ARG 32 HG3 ARG 32 2.555 18.885 17.762 1384 HD2 ARG 32 HD2 ARG 32 1.378 20.983 18.887 1385 HD3 ARG 32 HD3 ARG 32 2.011 20.331 20.385 1386 HE ARG 32 HE ARG 32 3.461 21.561 18.131 1387 HH11 ARG 32 HH11 ARG 32 3.988 19.838 21.177 1388 HH12 ARG 32 HH12 ARG 32 5.678 20.282 21.164 1389 HH21 ARG 32 HH21 ARG 32 5.532 21.764 18.083 1390 HH22 ARG 32 HH22 ARG 32 6.553 21.433 19.483 1391 H GLU 33 H GLU 33 0.188 17.534 15.706 1392 HA GLU 33 HA GLU 33 2.352 18.766 14.326 1393 HB2 GLU 33 HB2 GLU 33 0.352 16.792 13.186 1394 HB3 GLU 33 HB3 GLU 33 1.957 17.138 12.549 1395 HG2 GLU 33 HG2 GLU 33 1.472 15.819 15.240 1396 HG3 GLU 33 HG3 GLU 33 1.733 14.975 13.717 1397 H PHE 34 H PHE 34 -1.176 18.987 13.580 1398 HA PHE 34 HA PHE 34 -0.752 20.685 11.295 1399 HB2 PHE 34 HB2 PHE 34 -2.752 19.180 11.758 1400 HB3 PHE 34 HB3 PHE 34 -3.337 20.449 12.836 1401 HD1 PHE 34 HD1 PHE 34 -2.913 19.306 9.419 1402 HD2 PHE 34 HD2 PHE 34 -3.841 22.782 11.806 1403 HE1 PHE 34 HE1 PHE 34 -3.829 20.443 7.412 1404 HE2 PHE 34 HE2 PHE 34 -4.674 23.925 9.795 1405 HZ PHE 34 HZ PHE 34 -4.717 22.758 7.592 1406 H LEU 35 H LEU 35 -1.394 21.333 14.788 1407 HA LEU 35 HA LEU 35 -1.638 24.145 14.665 1408 HB2 LEU 35 HB2 LEU 35 -1.078 22.159 16.689 1409 HB3 LEU 35 HB3 LEU 35 0.169 23.356 16.840 1410 HG LEU 35 HG LEU 35 -1.629 23.889 18.330 1411 HD11 LEU 35 HD11 LEU 35 -1.956 25.850 16.060 1412 HD12 LEU 35 HD12 LEU 35 -0.443 25.720 16.981 1413 HD13 LEU 35 HD13 LEU 35 -1.938 26.121 17.818 1414 HD21 LEU 35 HD21 LEU 35 -3.475 23.856 15.944 1415 HD22 LEU 35 HD22 LEU 35 -3.884 24.254 17.641 1416 HD23 LEU 35 HD23 LEU 35 -3.377 22.625 17.216 1417 H ASP 36 H ASP 36 1.359 22.203 14.949 1418 HA ASP 36 HA ASP 36 3.141 24.394 14.629 1419 HB2 ASP 36 HB2 ASP 36 3.521 21.440 14.146 1420 HB3 ASP 36 HB3 ASP 36 4.809 22.633 13.995 1421 H TYR 37 H TYR 37 1.737 22.209 12.122 1422 HA TYR 37 HA TYR 37 3.104 23.222 9.870 1423 HB2 TYR 37 HB2 TYR 37 1.746 21.251 9.751 1424 HB3 TYR 37 HB3 TYR 37 0.333 22.131 10.287 1425 HD1 TYR 37 HD1 TYR 37 2.587 23.313 7.532 1426 HD2 TYR 37 HD2 TYR 37 -1.157 21.497 8.637 1427 HE1 TYR 37 HE1 TYR 37 1.794 23.524 5.213 1428 HE2 TYR 37 HE2 TYR 37 -1.974 21.749 6.291 1429 HH TYR 37 HH TYR 37 0.013 23.278 3.751 1430 H GLN 38 H GLN 38 -0.020 24.478 11.268 1431 HA GLN 38 HA GLN 38 -0.073 26.673 9.349 1432 HB2 GLN 38 HB2 GLN 38 -1.530 26.231 11.975 1433 HB3 GLN 38 HB3 GLN 38 -1.796 27.635 10.936 1434 HG2 GLN 38 HG2 GLN 38 -2.335 24.720 10.291 1435 HG3 GLN 38 HG3 GLN 38 -3.528 26.016 10.454 1436 HE21 GLN 38 HE21 GLN 38 -2.638 24.089 8.142 1437 HE22 GLN 38 HE22 GLN 38 -2.514 25.210 6.797 1438 H LYS 39 H LYS 39 1.137 26.428 12.723 1439 HA LYS 39 HA LYS 39 2.000 29.133 13.035 1440 HB2 LYS 39 HB2 LYS 39 2.958 26.456 14.043 1441 HB3 LYS 39 HB3 LYS 39 3.852 27.908 14.425 1442 HG2 LYS 39 HG2 LYS 39 2.154 28.835 15.703 1443 HG3 LYS 39 HG3 LYS 39 0.863 27.773 15.123 1444 HD2 LYS 39 HD2 LYS 39 1.809 25.868 16.245 1445 HD3 LYS 39 HD3 LYS 39 3.350 26.690 16.519 1446 HE2 LYS 39 HE2 LYS 39 2.207 28.250 18.099 1447 HE3 LYS 39 HE3 LYS 39 0.715 27.321 17.902 1448 HZ1 LYS 39 HZ1 LYS 39 3.318 26.255 18.893 1449 HZ2 LYS 39 HZ2 LYS 39 1.988 25.345 18.684 1450 HZ3 LYS 39 HZ3 LYS 39 1.978 26.504 19.837 1451 H TRP 40 H TRP 40 3.686 26.400 11.458 1452 HA TRP 40 HA TRP 40 6.117 27.463 10.676 1453 HB2 TRP 40 HB2 TRP 40 4.911 25.090 10.342 1454 HB3 TRP 40 HB3 TRP 40 4.588 25.706 8.755 1455 HD1 TRP 40 HD1 TRP 40 6.787 26.263 7.224 1456 HE1 TRP 40 HE1 TRP 40 9.100 25.153 7.156 1457 HE3 TRP 40 HE3 TRP 40 6.545 23.505 11.576 1458 HZ2 TRP 40 HZ2 TRP 40 10.705 23.466 8.838 1459 HZ3 TRP 40 HZ3 TRP 40 8.509 22.204 12.318 1460 HH2 TRP 40 HH2 TRP 40 10.590 22.182 10.981 1461 H ARG 41 H ARG 41 3.044 28.275 9.370 1462 HA ARG 41 HA ARG 41 4.238 29.613 6.977 1463 HB2 ARG 41 HB2 ARG 41 2.726 27.579 6.655 1464 HB3 ARG 41 HB3 ARG 41 1.413 28.512 7.353 1465 HG2 ARG 41 HG2 ARG 41 1.141 28.573 5.010 1466 HG3 ARG 41 HG3 ARG 41 1.689 30.190 5.443 1467 HD2 ARG 41 HD2 ARG 41 3.558 27.986 4.522 1468 HD3 ARG 41 HD3 ARG 41 2.722 29.040 3.368 1469 HE ARG 41 HE ARG 41 3.911 30.902 4.884 1470 HH11 ARG 41 HH11 ARG 41 5.970 31.710 4.811 1471 HH12 ARG 41 HH12 ARG 41 7.264 30.751 4.161 1472 HH21 ARG 41 HH21 ARG 41 5.324 28.004 3.425 1473 HH22 ARG 41 HH22 ARG 41 6.919 28.711 3.431 1474 H LYS 42 H LYS 42 1.701 29.957 9.437 1475 HA LYS 42 HA LYS 42 1.019 32.712 8.695 1476 HB2 LYS 42 HB2 LYS 42 0.232 31.042 11.117 1477 HB3 LYS 42 HB3 LYS 42 -0.498 32.561 10.623 1478 HG2 LYS 42 HG2 LYS 42 -0.654 29.924 9.089 1479 HG3 LYS 42 HG3 LYS 42 -1.904 30.666 10.065 1480 HD2 LYS 42 HD2 LYS 42 -2.627 31.266 7.999 1481 HD3 LYS 42 HD3 LYS 42 -1.674 32.695 8.402 1482 HE2 LYS 42 HE2 LYS 42 0.239 31.716 7.071 1483 HE3 LYS 42 HE3 LYS 42 -0.769 30.316 6.688 1484 HZ1 LYS 42 HZ1 LYS 42 -0.832 31.972 4.904 1485 HZ2 LYS 42 HZ2 LYS 42 -1.389 33.123 5.916 1486 HZ3 LYS 42 HZ3 LYS 42 -2.317 31.827 5.561 1487 H SER 43 H SER 43 3.206 31.243 11.057 1488 HA SER 43 HA SER 43 4.156 34.014 11.696 1489 HB2 SER 43 HB2 SER 43 2.798 32.975 13.552 1490 HB3 SER 43 HB3 SER 43 4.058 31.740 13.699 1491 HG SER 43 HG SER 43 5.562 33.512 14.055 1492 H GLN 44 H GLN 44 5.009 30.759 10.809 1493 HA GLN 44 HA GLN 44 6.833 29.847 10.028 1494 HB2 GLN 44 HB2 GLN 44 6.881 32.295 8.973 1495 HB3 GLN 44 HB3 GLN 44 8.473 32.304 9.746 1496 HG2 GLN 44 HG2 GLN 44 7.361 30.459 7.591 1497 HG3 GLN 44 HG3 GLN 44 8.642 31.631 7.421 1498 HE21 GLN 44 HE21 GLN 44 7.849 28.365 8.424 1499 HE22 GLN 44 HE22 GLN 44 9.516 27.860 8.710 1500 H LYS 45 H LYS 45 6.515 30.351 12.926 1501 HA LYS 45 HA LYS 45 9.194 29.510 13.883 1502 HB2 LYS 45 HB2 LYS 45 8.145 29.367 16.064 1503 HB3 LYS 45 HB3 LYS 45 7.794 30.921 15.313 1504 HG2 LYS 45 HG2 LYS 45 5.568 29.588 14.509 1505 HG3 LYS 45 HG3 LYS 45 5.934 28.623 15.931 1506 HD2 LYS 45 HD2 LYS 45 5.513 31.621 15.753 1507 HD3 LYS 45 HD3 LYS 45 4.360 30.468 16.408 1508 HE2 LYS 45 HE2 LYS 45 7.114 31.052 17.606 1509 HE3 LYS 45 HE3 LYS 45 5.618 31.836 18.118 1510 HZ1 LYS 45 HZ1 LYS 45 6.170 28.914 18.317 1511 HZ2 LYS 45 HZ2 LYS 45 4.759 29.635 18.743 1512 HZ3 LYS 45 HZ3 LYS 45 6.135 29.971 19.554 1513 H GLU 46 H GLU 46 9.647 27.402 14.545 1514 HA GLU 46 HA GLU 46 8.324 25.315 12.987 1515 HB2 GLU 46 HB2 GLU 46 10.590 25.171 15.014 1516 HB3 GLU 46 HB3 GLU 46 10.063 23.854 13.954 1517 HG2 GLU 46 HG2 GLU 46 10.646 25.209 11.961 1518 HG3 GLU 46 HG3 GLU 46 11.153 26.540 13.000 1519 H GLU 47 H GLU 47 8.092 26.405 16.274 1520 HA GLU 47 HA GLU 47 6.053 24.400 17.024 1521 HB2 GLU 47 HB2 GLU 47 8.506 24.974 18.745 1522 HB3 GLU 47 HB3 GLU 47 7.104 24.010 19.196 1523 HG2 GLU 47 HG2 GLU 47 7.698 22.431 17.282 1524 HG3 GLU 47 HG3 GLU 47 9.207 23.333 17.100 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 22.285 5.269 3.726 2 H2 GLY 1 H2 GLY 1 22.015 4.824 5.281 3 H3 GLY 1 H3 GLY 1 21.441 6.253 4.730 4 HA2 GLY 1 HA2 GLY 1 19.947 5.139 3.203 5 HA3 GLY 1 HA3 GLY 1 20.564 3.592 3.814 6 H SER 2 H SER 2 17.556 3.982 5.842 7 HA SER 2 HA SER 2 18.664 2.409 3.678 8 HB2 SER 2 HB2 SER 2 16.978 1.642 5.339 9 HB3 SER 2 HB3 SER 2 15.776 2.685 4.560 10 HG SER 2 HG SER 2 15.907 0.388 3.893 11 H HIS 3 H HIS 3 17.221 2.118 1.681 12 HA HIS 3 HA HIS 3 17.538 4.326 -0.078 13 HB2 HIS 3 HB2 HIS 3 16.582 2.887 -1.728 14 HB3 HIS 3 HB3 HIS 3 17.606 1.909 -0.691 15 HD1 HIS 3 HD1 HIS 3 15.795 0.764 1.500 16 HD2 HIS 3 HD2 HIS 3 14.369 1.746 -2.341 17 HE1 HIS 3 HE1 HIS 3 13.660 -0.570 1.169 18 H MET 4 H MET 4 16.018 5.490 -1.303 19 HA MET 4 HA MET 4 13.660 6.451 0.125 20 HB2 MET 4 HB2 MET 4 13.459 8.035 -1.691 21 HB3 MET 4 HB3 MET 4 15.122 7.970 -1.117 22 HG2 MET 4 HG2 MET 4 15.697 6.487 -3.064 23 HG3 MET 4 HG3 MET 4 14.031 6.616 -3.619 24 HE1 MET 4 HE1 MET 4 17.481 8.344 -3.162 25 HE2 MET 4 HE2 MET 4 17.191 10.011 -3.711 26 HE3 MET 4 HE3 MET 4 16.519 9.460 -2.163 27 H GLU 5 H GLU 5 11.550 6.651 -0.920 28 HA GLU 5 HA GLU 5 10.531 4.084 -1.850 29 HB2 GLU 5 HB2 GLU 5 9.177 6.756 -1.292 30 HB3 GLU 5 HB3 GLU 5 8.328 5.256 -1.637 31 HG2 GLU 5 HG2 GLU 5 10.131 5.765 0.769 32 HG3 GLU 5 HG3 GLU 5 8.372 5.760 0.763 33 H TYR 6 H TYR 6 12.253 4.953 -3.840 34 HA TYR 6 HA TYR 6 10.515 5.595 -6.159 35 HB2 TYR 6 HB2 TYR 6 11.411 7.697 -4.749 36 HB3 TYR 6 HB3 TYR 6 12.889 7.380 -5.625 37 HD1 TYR 6 HD1 TYR 6 9.191 7.654 -6.243 38 HD2 TYR 6 HD2 TYR 6 13.157 8.647 -7.611 39 HE1 TYR 6 HE1 TYR 6 8.227 9.430 -7.717 40 HE2 TYR 6 HE2 TYR 6 12.166 10.133 -9.352 41 HH TYR 6 HH TYR 6 10.244 10.804 -10.355 42 H ASP 7 H ASP 7 11.533 5.431 -8.180 43 HA ASP 7 HA ASP 7 14.251 4.269 -8.343 44 HB2 ASP 7 HB2 ASP 7 12.573 2.406 -8.095 45 HB3 ASP 7 HB3 ASP 7 11.835 2.923 -9.610 46 H GLY 8 H GLY 8 13.614 6.836 -8.954 47 HA2 GLY 8 HA2 GLY 8 13.911 8.441 -10.578 48 HA3 GLY 8 HA3 GLY 8 14.389 7.169 -11.705 49 H GLN 9 H GLN 9 11.239 6.927 -10.225 50 HA GLN 9 HA GLN 9 9.795 7.953 -12.598 51 HB2 GLN 9 HB2 GLN 9 10.501 5.671 -13.178 52 HB3 GLN 9 HB3 GLN 9 9.862 5.056 -11.653 53 HG2 GLN 9 HG2 GLN 9 8.375 4.550 -13.572 54 HG3 GLN 9 HG3 GLN 9 7.573 5.510 -12.340 55 HE21 GLN 9 HE21 GLN 9 6.253 7.075 -13.251 56 HE22 GLN 9 HE22 GLN 9 6.626 7.920 -14.750 57 H LEU 10 H LEU 10 7.952 8.918 -11.986 58 HA LEU 10 HA LEU 10 6.923 8.736 -9.303 59 HB2 LEU 10 HB2 LEU 10 6.880 10.713 -10.975 60 HB3 LEU 10 HB3 LEU 10 5.463 9.943 -11.679 61 HG LEU 10 HG LEU 10 5.003 11.800 -10.176 62 HD11 LEU 10 HD11 LEU 10 3.474 9.743 -10.403 63 HD12 LEU 10 HD12 LEU 10 3.208 10.936 -9.126 64 HD13 LEU 10 HD13 LEU 10 3.960 9.362 -8.745 65 HD21 LEU 10 HD21 LEU 10 5.698 10.387 -7.661 66 HD22 LEU 10 HD22 LEU 10 5.931 12.079 -8.169 67 HD23 LEU 10 HD23 LEU 10 7.075 10.900 -8.666 68 H ASP 11 H ASP 11 5.365 7.441 -8.516 69 HA ASP 11 HA ASP 11 4.966 5.053 -9.965 70 HB2 ASP 11 HB2 ASP 11 5.384 5.626 -7.370 71 HB3 ASP 11 HB3 ASP 11 3.648 5.638 -7.291 72 H SER 12 H SER 12 3.442 7.116 -11.037 73 HA SER 12 HA SER 12 1.658 7.555 -12.167 74 HB2 SER 12 HB2 SER 12 0.868 4.661 -11.863 75 HB3 SER 12 HB3 SER 12 0.232 5.814 -13.053 76 HG SER 12 HG SER 12 1.937 4.502 -13.899 77 H GLU 13 H GLU 13 0.882 5.989 -9.185 78 HA GLU 13 HA GLU 13 -1.883 6.654 -8.854 79 HB2 GLU 13 HB2 GLU 13 0.443 6.264 -6.939 80 HB3 GLU 13 HB3 GLU 13 -1.226 6.419 -6.375 81 HG2 GLU 13 HG2 GLU 13 -0.368 4.242 -8.331 82 HG3 GLU 13 HG3 GLU 13 -0.158 4.078 -6.592 83 H TRP 14 H TRP 14 1.081 8.280 -7.745 84 HA TRP 14 HA TRP 14 -0.280 10.554 -6.644 85 HB2 TRP 14 HB2 TRP 14 2.630 10.578 -7.152 86 HB3 TRP 14 HB3 TRP 14 1.702 11.121 -5.750 87 HD1 TRP 14 HD1 TRP 14 4.081 8.598 -6.669 88 HE1 TRP 14 HE1 TRP 14 3.948 6.472 -5.248 89 HE3 TRP 14 HE3 TRP 14 -0.304 9.510 -4.192 90 HZ2 TRP 14 HZ2 TRP 14 2.018 5.157 -3.544 91 HZ3 TRP 14 HZ3 TRP 14 -1.290 7.789 -2.699 92 HH2 TRP 14 HH2 TRP 14 -0.158 5.598 -2.391 93 H GLU 15 H GLU 15 1.029 9.895 -9.780 94 HA GLU 15 HA GLU 15 1.109 12.561 -10.887 95 HB2 GLU 15 HB2 GLU 15 2.363 10.896 -11.956 96 HB3 GLU 15 HB3 GLU 15 1.021 9.746 -11.993 97 HG2 GLU 15 HG2 GLU 15 -0.151 11.128 -13.631 98 HG3 GLU 15 HG3 GLU 15 1.183 12.292 -13.638 99 H LYS 16 H LYS 16 -1.363 9.930 -11.050 100 HA LYS 16 HA LYS 16 -3.285 11.690 -12.327 101 HB2 LYS 16 HB2 LYS 16 -4.920 9.932 -12.035 102 HB3 LYS 16 HB3 LYS 16 -3.406 9.370 -12.741 103 HG2 LYS 16 HG2 LYS 16 -3.714 7.655 -11.352 104 HG3 LYS 16 HG3 LYS 16 -2.853 8.699 -10.264 105 HD2 LYS 16 HD2 LYS 16 -5.060 9.552 -9.352 106 HD3 LYS 16 HD3 LYS 16 -5.895 8.381 -10.375 107 HE2 LYS 16 HE2 LYS 16 -3.808 7.692 -8.261 108 HE3 LYS 16 HE3 LYS 16 -5.544 7.690 -7.954 109 HZ1 LYS 16 HZ1 LYS 16 -4.345 6.019 -10.089 110 HZ2 LYS 16 HZ2 LYS 16 -5.838 5.873 -9.426 111 HZ3 LYS 16 HZ3 LYS 16 -4.486 5.495 -8.557 112 H LEU 17 H LEU 17 -2.567 11.080 -8.937 113 HA LEU 17 HA LEU 17 -4.822 12.473 -7.807 114 HB2 LEU 17 HB2 LEU 17 -2.014 11.874 -6.889 115 HB3 LEU 17 HB3 LEU 17 -3.091 12.838 -5.901 116 HG LEU 17 HG LEU 17 -4.022 10.134 -6.947 117 HD11 LEU 17 HD11 LEU 17 -1.911 9.685 -5.855 118 HD12 LEU 17 HD12 LEU 17 -3.216 9.170 -4.807 119 HD13 LEU 17 HD13 LEU 17 -2.346 10.701 -4.477 120 HD21 LEU 17 HD21 LEU 17 -4.697 11.879 -4.555 121 HD22 LEU 17 HD22 LEU 17 -5.340 10.248 -4.861 122 HD23 LEU 17 HD23 LEU 17 -5.729 11.568 -5.969 123 H VAL 18 H VAL 18 -1.505 13.712 -8.687 124 HA VAL 18 HA VAL 18 -2.177 16.417 -7.936 125 HB VAL 18 HB VAL 18 0.112 15.595 -8.005 126 HG11 VAL 18 HG11 VAL 18 0.178 14.234 -9.923 127 HG12 VAL 18 HG12 VAL 18 -0.303 15.518 -11.010 128 HG13 VAL 18 HG13 VAL 18 1.305 15.562 -10.235 129 HG21 VAL 18 HG21 VAL 18 -0.308 18.038 -8.153 130 HG22 VAL 18 HG22 VAL 18 1.190 17.519 -8.963 131 HG23 VAL 18 HG23 VAL 18 -0.238 17.923 -9.922 132 H ARG 19 H ARG 19 -2.309 14.788 -11.171 133 HA ARG 19 HA ARG 19 -3.380 17.064 -12.576 134 HB2 ARG 19 HB2 ARG 19 -3.560 14.052 -12.886 135 HB3 ARG 19 HB3 ARG 19 -4.545 15.114 -13.931 136 HG2 ARG 19 HG2 ARG 19 -2.441 16.278 -14.583 137 HG3 ARG 19 HG3 ARG 19 -1.530 15.002 -13.741 138 HD2 ARG 19 HD2 ARG 19 -3.321 14.828 -16.196 139 HD3 ARG 19 HD3 ARG 19 -1.573 14.626 -16.093 140 HE ARG 19 HE ARG 19 -3.626 12.726 -14.974 141 HH11 ARG 19 HH11 ARG 19 -0.494 13.063 -16.603 142 HH12 ARG 19 HH12 ARG 19 -0.111 11.380 -16.259 143 HH21 ARG 19 HH21 ARG 19 -3.115 10.544 -14.947 144 HH22 ARG 19 HH22 ARG 19 -1.557 10.039 -15.548 145 H ASP 20 H ASP 20 -5.057 14.550 -10.687 146 HA ASP 20 HA ASP 20 -7.718 15.511 -10.944 147 HB2 ASP 20 HB2 ASP 20 -6.185 13.817 -9.047 148 HB3 ASP 20 HB3 ASP 20 -7.527 14.653 -8.305 149 H ALA 21 H ALA 21 -5.147 16.599 -8.621 150 HA ALA 21 HA ALA 21 -6.886 18.455 -7.295 151 HB1 ALA 21 HB1 ALA 21 -4.811 17.675 -6.331 152 HB2 ALA 21 HB2 ALA 21 -3.855 18.455 -7.615 153 HB3 ALA 21 HB3 ALA 21 -4.770 19.441 -6.464 154 H MET 22 H MET 22 -4.606 18.896 -10.020 155 HA MET 22 HA MET 22 -5.021 21.665 -10.390 156 HB2 MET 22 HB2 MET 22 -4.320 19.567 -12.457 157 HB3 MET 22 HB3 MET 22 -4.177 21.307 -12.668 158 HG2 MET 22 HG2 MET 22 -2.289 19.463 -11.445 159 HG3 MET 22 HG3 MET 22 -2.067 21.025 -12.080 160 HE1 MET 22 HE1 MET 22 -3.547 23.188 -9.925 161 HE2 MET 22 HE2 MET 22 -1.849 23.407 -9.401 162 HE3 MET 22 HE3 MET 22 -2.222 23.034 -11.099 163 H THR 23 H THR 23 -6.870 18.906 -11.710 164 HA THR 23 HA THR 23 -8.663 20.675 -13.244 165 HB THR 23 HB THR 23 -9.837 18.580 -13.855 166 HG1 THR 23 HG1 THR 23 -7.667 17.262 -12.629 167 HG21 THR 23 HG21 THR 23 -8.025 19.443 -15.273 168 HG22 THR 23 HG22 THR 23 -8.075 17.672 -15.278 169 HG23 THR 23 HG23 THR 23 -6.833 18.527 -14.331 170 H SER 24 H SER 24 -8.929 18.836 -10.194 171 HA SER 24 HA SER 24 -11.782 19.362 -10.035 172 HB2 SER 24 HB2 SER 24 -10.566 17.229 -9.240 173 HB3 SER 24 HB3 SER 24 -10.161 18.137 -7.792 174 HG SER 24 HG SER 24 -12.450 18.602 -7.639 175 H GLY 25 H GLY 25 -9.507 21.561 -9.653 176 HA2 GLY 25 HA2 GLY 25 -9.708 23.716 -8.865 177 HA3 GLY 25 HA3 GLY 25 -11.258 23.292 -8.135 178 H VAL 26 H VAL 26 -8.352 21.526 -7.259 179 HA VAL 26 HA VAL 26 -8.612 22.255 -4.429 180 HB VAL 26 HB VAL 26 -6.819 20.434 -6.031 181 HG11 VAL 26 HG11 VAL 26 -5.971 19.498 -3.872 182 HG12 VAL 26 HG12 VAL 26 -5.258 21.027 -4.406 183 HG13 VAL 26 HG13 VAL 26 -6.462 21.027 -3.118 184 HG21 VAL 26 HG21 VAL 26 -7.989 18.721 -4.620 185 HG22 VAL 26 HG22 VAL 26 -8.984 20.024 -3.957 186 HG23 VAL 26 HG23 VAL 26 -9.060 19.642 -5.684 187 H SER 27 H SER 27 -7.149 23.318 -3.140 188 HA SER 27 HA SER 27 -5.882 25.588 -4.259 189 HB2 SER 27 HB2 SER 27 -5.741 24.383 -1.499 190 HB3 SER 27 HB3 SER 27 -4.996 25.933 -1.942 191 HG SER 27 HG SER 27 -7.018 26.722 -2.529 192 H LYS 28 H LYS 28 -4.265 25.306 -5.643 193 HA LYS 28 HA LYS 28 -2.200 23.412 -5.590 194 HB2 LYS 28 HB2 LYS 28 -1.159 24.734 -7.330 195 HB3 LYS 28 HB3 LYS 28 -2.904 24.671 -7.555 196 HG2 LYS 28 HG2 LYS 28 -3.043 26.986 -6.483 197 HG3 LYS 28 HG3 LYS 28 -1.269 27.026 -6.518 198 HD2 LYS 28 HD2 LYS 28 -1.362 26.648 -8.995 199 HD3 LYS 28 HD3 LYS 28 -3.119 26.737 -8.937 200 HE2 LYS 28 HE2 LYS 28 -1.231 28.967 -8.038 201 HE3 LYS 28 HE3 LYS 28 -1.916 28.847 -9.659 202 HZ1 LYS 28 HZ1 LYS 28 -3.513 29.168 -7.174 203 HZ2 LYS 28 HZ2 LYS 28 -4.140 29.014 -8.679 204 HZ3 LYS 28 HZ3 LYS 28 -3.244 30.319 -8.295 205 H LYS 29 H LYS 29 -2.252 26.501 -3.877 206 HA LYS 29 HA LYS 29 0.495 26.471 -3.004 207 HB2 LYS 29 HB2 LYS 29 -0.264 28.055 -1.303 208 HB3 LYS 29 HB3 LYS 29 -0.855 28.461 -2.917 209 HG2 LYS 29 HG2 LYS 29 -2.958 26.939 -1.909 210 HG3 LYS 29 HG3 LYS 29 -2.354 27.700 -0.446 211 HD2 LYS 29 HD2 LYS 29 -3.182 29.104 -3.021 212 HD3 LYS 29 HD3 LYS 29 -4.168 28.984 -1.553 213 HE2 LYS 29 HE2 LYS 29 -2.435 30.237 -0.274 214 HE3 LYS 29 HE3 LYS 29 -1.462 30.395 -1.741 215 HZ1 LYS 29 HZ1 LYS 29 -3.291 31.667 -2.738 216 HZ2 LYS 29 HZ2 LYS 29 -2.803 32.380 -1.354 217 HZ3 LYS 29 HZ3 LYS 29 -4.190 31.522 -1.379 218 H GLN 30 H GLN 30 -2.360 24.761 -1.770 219 HA GLN 30 HA GLN 30 -1.163 24.084 0.784 220 HB2 GLN 30 HB2 GLN 30 -3.446 22.805 -0.771 221 HB3 GLN 30 HB3 GLN 30 -2.976 22.340 0.856 222 HG2 GLN 30 HG2 GLN 30 -3.986 25.110 0.074 223 HG3 GLN 30 HG3 GLN 30 -4.974 23.804 0.736 224 HE21 GLN 30 HE21 GLN 30 -2.204 25.989 1.559 225 HE22 GLN 30 HE22 GLN 30 -2.504 25.872 3.284 226 H PHE 31 H PHE 31 -1.076 22.606 -2.416 227 HA PHE 31 HA PHE 31 0.012 20.037 -1.818 228 HB2 PHE 31 HB2 PHE 31 -0.260 21.770 -4.149 229 HB3 PHE 31 HB3 PHE 31 1.323 21.038 -4.136 230 HD1 PHE 31 HD1 PHE 31 1.633 18.757 -4.776 231 HD2 PHE 31 HD2 PHE 31 -2.324 20.292 -4.017 232 HE1 PHE 31 HE1 PHE 31 0.646 16.655 -5.627 233 HE2 PHE 31 HE2 PHE 31 -3.292 18.149 -4.745 234 HZ PHE 31 HZ PHE 31 -1.821 16.279 -5.515 235 H ARG 32 H ARG 32 1.814 23.082 -2.409 236 HA ARG 32 HA ARG 32 4.373 22.000 -1.714 237 HB2 ARG 32 HB2 ARG 32 4.192 23.990 -3.080 238 HB3 ARG 32 HB3 ARG 32 3.271 24.829 -1.838 239 HG2 ARG 32 HG2 ARG 32 5.582 25.652 -1.917 240 HG3 ARG 32 HG3 ARG 32 5.219 24.921 -0.370 241 HD2 ARG 32 HD2 ARG 32 6.334 22.758 -1.341 242 HD3 ARG 32 HD3 ARG 32 6.994 23.808 -2.583 243 HE ARG 32 HE ARG 32 7.770 23.539 0.212 244 HH11 ARG 32 HH11 ARG 32 7.993 25.856 -2.435 245 HH12 ARG 32 HH12 ARG 32 9.223 26.771 -1.609 246 HH21 ARG 32 HH21 ARG 32 9.045 24.864 1.257 247 HH22 ARG 32 HH22 ARG 32 9.878 26.181 0.439 248 H GLU 33 H GLU 33 2.149 23.977 0.279 249 HA GLU 33 HA GLU 33 3.882 23.887 2.562 250 HB2 GLU 33 HB2 GLU 33 0.865 24.219 2.553 251 HB3 GLU 33 HB3 GLU 33 1.956 24.629 3.880 252 HG2 GLU 33 HG2 GLU 33 1.872 26.006 1.174 253 HG3 GLU 33 HG3 GLU 33 1.174 26.606 2.675 254 H PHE 34 H PHE 34 1.284 21.603 1.596 255 HA PHE 34 HA PHE 34 1.448 20.023 3.991 256 HB2 PHE 34 HB2 PHE 34 -0.415 20.114 2.193 257 HB3 PHE 34 HB3 PHE 34 0.554 18.933 1.319 258 HD1 PHE 34 HD1 PHE 34 1.157 16.708 2.672 259 HD2 PHE 34 HD2 PHE 34 -1.878 19.533 3.879 260 HE1 PHE 34 HE1 PHE 34 0.255 15.080 4.287 261 HE2 PHE 34 HE2 PHE 34 -2.835 17.849 5.423 262 HZ PHE 34 HZ PHE 34 -1.757 15.619 5.646 263 H LEU 35 H LEU 35 3.145 19.892 0.834 264 HA LEU 35 HA LEU 35 4.697 17.555 1.272 265 HB2 LEU 35 HB2 LEU 35 4.675 19.819 -0.530 266 HB3 LEU 35 HB3 LEU 35 6.325 19.590 0.004 267 HG LEU 35 HG LEU 35 6.022 18.428 -2.045 268 HD11 LEU 35 HD11 LEU 35 5.878 16.136 -0.123 269 HD12 LEU 35 HD12 LEU 35 7.227 17.283 0.010 270 HD13 LEU 35 HD13 LEU 35 6.957 16.424 -1.508 271 HD21 LEU 35 HD21 LEU 35 3.690 16.987 -0.778 272 HD22 LEU 35 HD22 LEU 35 4.384 16.734 -2.406 273 HD23 LEU 35 HD23 LEU 35 3.607 18.261 -2.009 274 H ASP 36 H ASP 36 5.599 20.971 2.075 275 HA ASP 36 HA ASP 36 7.985 20.296 3.470 276 HB2 ASP 36 HB2 ASP 36 6.142 22.683 3.813 277 HB3 ASP 36 HB3 ASP 36 7.700 22.510 4.615 278 H TYR 37 H TYR 37 4.656 20.712 4.744 279 HA TYR 37 HA TYR 37 5.132 20.254 7.475 280 HB2 TYR 37 HB2 TYR 37 3.032 21.007 6.833 281 HB3 TYR 37 HB3 TYR 37 2.852 19.792 5.585 282 HD1 TYR 37 HD1 TYR 37 0.792 18.802 6.029 283 HD2 TYR 37 HD2 TYR 37 3.658 19.285 9.221 284 HE1 TYR 37 HE1 TYR 37 -0.652 17.449 7.528 285 HE2 TYR 37 HE2 TYR 37 2.250 17.886 10.689 286 HH TYR 37 HH TYR 37 -0.965 16.655 9.671 287 H GLN 38 H GLN 38 4.366 17.697 4.991 288 HA GLN 38 HA GLN 38 4.852 15.579 6.914 289 HB2 GLN 38 HB2 GLN 38 4.736 15.513 3.872 290 HB3 GLN 38 HB3 GLN 38 4.924 14.096 4.911 291 HG2 GLN 38 HG2 GLN 38 2.540 15.979 4.947 292 HG3 GLN 38 HG3 GLN 38 2.591 14.359 4.230 293 HE21 GLN 38 HE21 GLN 38 1.487 15.942 6.947 294 HE22 GLN 38 HE22 GLN 38 1.541 14.568 8.039 295 H LYS 39 H LYS 39 6.999 17.109 4.476 296 HA LYS 39 HA LYS 39 9.202 15.315 4.637 297 HB2 LYS 39 HB2 LYS 39 8.845 18.262 4.042 298 HB3 LYS 39 HB3 LYS 39 10.467 17.610 4.186 299 HG2 LYS 39 HG2 LYS 39 10.254 16.222 2.354 300 HG3 LYS 39 HG3 LYS 39 8.511 16.330 2.223 301 HD2 LYS 39 HD2 LYS 39 8.580 18.569 1.436 302 HD3 LYS 39 HD3 LYS 39 10.251 18.813 1.975 303 HE2 LYS 39 HE2 LYS 39 11.051 17.255 0.227 304 HE3 LYS 39 HE3 LYS 39 9.391 17.013 -0.326 305 HZ1 LYS 39 HZ1 LYS 39 10.501 18.748 -1.665 306 HZ2 LYS 39 HZ2 LYS 39 10.843 19.618 -0.332 307 HZ3 LYS 39 HZ3 LYS 39 9.295 19.432 -0.803 308 H TRP 40 H TRP 40 8.567 18.243 6.593 309 HA TRP 40 HA TRP 40 10.765 17.660 8.423 310 HB2 TRP 40 HB2 TRP 40 8.809 19.863 8.012 311 HB3 TRP 40 HB3 TRP 40 9.602 19.745 9.567 312 HD1 TRP 40 HD1 TRP 40 12.011 20.470 9.837 313 HE1 TRP 40 HE1 TRP 40 13.836 21.461 8.341 314 HE3 TRP 40 HE3 TRP 40 9.702 20.022 5.284 315 HZ2 TRP 40 HZ2 TRP 40 14.199 22.114 5.568 316 HZ3 TRP 40 HZ3 TRP 40 10.779 20.915 3.237 317 HH2 TRP 40 HH2 TRP 40 13.032 21.966 3.369 318 H ARG 41 H ARG 41 7.748 16.232 8.344 319 HA ARG 41 HA ARG 41 7.924 15.606 11.280 320 HB2 ARG 41 HB2 ARG 41 5.690 15.707 9.299 321 HB3 ARG 41 HB3 ARG 41 5.733 14.261 10.262 322 HG2 ARG 41 HG2 ARG 41 4.345 15.819 11.456 323 HG3 ARG 41 HG3 ARG 41 5.842 15.638 12.350 324 HD2 ARG 41 HD2 ARG 41 6.551 17.828 10.859 325 HD3 ARG 41 HD3 ARG 41 4.814 17.997 10.783 326 HE ARG 41 HE ARG 41 4.772 17.996 13.268 327 HH11 ARG 41 HH11 ARG 41 8.082 18.263 12.052 328 HH12 ARG 41 HH12 ARG 41 8.586 19.111 13.480 329 HH21 ARG 41 HH21 ARG 41 5.473 19.323 14.914 330 HH22 ARG 41 HH22 ARG 41 7.184 19.615 15.072 331 H LYS 42 H LYS 42 7.788 14.055 8.114 332 HA LYS 42 HA LYS 42 8.363 11.367 9.102 333 HB2 LYS 42 HB2 LYS 42 8.139 12.567 6.292 334 HB3 LYS 42 HB3 LYS 42 8.349 10.852 6.636 335 HG2 LYS 42 HG2 LYS 42 5.927 12.554 7.364 336 HG3 LYS 42 HG3 LYS 42 6.052 11.322 6.120 337 HD2 LYS 42 HD2 LYS 42 5.049 10.039 7.699 338 HD3 LYS 42 HD3 LYS 42 6.713 9.750 8.193 339 HE2 LYS 42 HE2 LYS 42 6.467 11.607 9.893 340 HE3 LYS 42 HE3 LYS 42 4.798 11.836 9.360 341 HZ1 LYS 42 HZ1 LYS 42 5.870 9.333 10.558 342 HZ2 LYS 42 HZ2 LYS 42 4.327 9.554 10.069 343 HZ3 LYS 42 HZ3 LYS 42 4.916 10.411 11.327 344 H SER 43 H SER 43 10.251 13.692 7.106 345 HA SER 43 HA SER 43 12.627 11.906 7.341 346 HB2 SER 43 HB2 SER 43 12.050 12.715 5.130 347 HB3 SER 43 HB3 SER 43 12.160 14.399 5.670 348 HG SER 43 HG SER 43 14.070 13.494 4.610 349 H GLN 44 H GLN 44 11.565 15.206 8.198 350 HA GLN 44 HA GLN 44 12.380 16.769 9.588 351 HB2 GLN 44 HB2 GLN 44 12.086 14.579 11.097 352 HB3 GLN 44 HB3 GLN 44 13.806 14.813 11.356 353 HG2 GLN 44 HG2 GLN 44 11.563 16.815 11.897 354 HG3 GLN 44 HG3 GLN 44 12.413 15.866 13.100 355 HE21 GLN 44 HE21 GLN 44 12.640 18.697 10.973 356 HE22 GLN 44 HE22 GLN 44 14.100 19.323 11.728 357 H LYS 45 H LYS 45 13.841 16.353 7.278 358 HA LYS 45 HA LYS 45 16.673 16.333 7.638 359 HB2 LYS 45 HB2 LYS 45 16.740 16.972 5.304 360 HB3 LYS 45 HB3 LYS 45 15.468 15.783 5.560 361 HG2 LYS 45 HG2 LYS 45 13.911 17.968 5.780 362 HG3 LYS 45 HG3 LYS 45 15.251 18.723 4.914 363 HD2 LYS 45 HD2 LYS 45 14.990 16.789 3.188 364 HD3 LYS 45 HD3 LYS 45 13.519 16.365 4.077 365 HE2 LYS 45 HE2 LYS 45 12.773 17.705 2.284 366 HE3 LYS 45 HE3 LYS 45 12.726 18.764 3.704 367 HZ1 LYS 45 HZ1 LYS 45 14.901 18.722 1.669 368 HZ2 LYS 45 HZ2 LYS 45 14.886 19.709 2.967 369 HZ3 LYS 45 HZ3 LYS 45 13.762 19.884 1.800 370 H GLU 46 H GLU 46 18.210 17.971 7.545 371 HA GLU 46 HA GLU 46 17.387 20.503 8.824 372 HB2 GLU 46 HB2 GLU 46 20.133 19.377 8.147 373 HB3 GLU 46 HB3 GLU 46 19.819 20.860 9.064 374 HG2 GLU 46 HG2 GLU 46 18.500 19.483 10.722 375 HG3 GLU 46 HG3 GLU 46 19.065 18.028 9.895 376 H GLU 47 H GLU 47 18.058 19.496 5.605 377 HA GLU 47 HA GLU 47 18.897 22.172 4.631 378 HB2 GLU 47 HB2 GLU 47 18.666 19.497 3.206 379 HB3 GLU 47 HB3 GLU 47 19.208 21.017 2.477 380 HG2 GLU 47 HG2 GLU 47 21.036 21.122 4.224 381 HG3 GLU 47 HG3 GLU 47 20.588 19.489 4.724 382 H1 GLY 1 H1 GLY 1 -9.562 31.728 -21.816 383 H2 GLY 1 H2 GLY 1 -10.352 32.631 -20.702 384 H3 GLY 1 H3 GLY 1 -10.675 32.828 -22.297 385 HA2 GLY 1 HA2 GLY 1 -12.457 31.599 -21.267 386 HA3 GLY 1 HA3 GLY 1 -11.590 30.607 -22.453 387 H SER 2 H SER 2 -12.185 28.663 -21.437 388 HA SER 2 HA SER 2 -11.634 28.084 -18.650 389 HB2 SER 2 HB2 SER 2 -13.418 27.011 -20.041 390 HB3 SER 2 HB3 SER 2 -12.147 26.135 -20.919 391 HG SER 2 HG SER 2 -13.038 24.932 -19.158 392 H HIS 3 H HIS 3 -10.269 26.171 -18.019 393 HA HIS 3 HA HIS 3 -7.487 26.660 -18.717 394 HB2 HIS 3 HB2 HIS 3 -6.989 25.032 -17.005 395 HB3 HIS 3 HB3 HIS 3 -8.198 26.161 -16.424 396 HD1 HIS 3 HD1 HIS 3 -8.007 22.484 -17.700 397 HD2 HIS 3 HD2 HIS 3 -10.468 25.134 -15.535 398 HE1 HIS 3 HE1 HIS 3 -9.899 21.080 -16.736 399 H MET 4 H MET 4 -5.972 24.882 -19.219 400 HA MET 4 HA MET 4 -6.641 23.468 -21.648 401 HB2 MET 4 HB2 MET 4 -4.268 23.240 -19.758 402 HB3 MET 4 HB3 MET 4 -4.373 22.446 -21.333 403 HG2 MET 4 HG2 MET 4 -4.535 24.582 -22.479 404 HG3 MET 4 HG3 MET 4 -4.553 25.464 -20.955 405 HE1 MET 4 HE1 MET 4 -2.565 25.985 -19.468 406 HE2 MET 4 HE2 MET 4 -2.290 24.258 -19.136 407 HE3 MET 4 HE3 MET 4 -0.938 25.291 -19.643 408 H GLU 5 H GLU 5 -6.888 21.242 -22.025 409 HA GLU 5 HA GLU 5 -8.131 19.715 -19.855 410 HB2 GLU 5 HB2 GLU 5 -7.517 18.970 -22.739 411 HB3 GLU 5 HB3 GLU 5 -8.425 17.980 -21.602 412 HG2 GLU 5 HG2 GLU 5 -9.222 20.726 -22.659 413 HG3 GLU 5 HG3 GLU 5 -9.897 19.181 -23.156 414 H TYR 6 H TYR 6 -7.074 18.508 -18.446 415 HA TYR 6 HA TYR 6 -4.322 17.558 -18.947 416 HB2 TYR 6 HB2 TYR 6 -6.100 17.736 -16.530 417 HB3 TYR 6 HB3 TYR 6 -4.691 16.695 -16.530 418 HD1 TYR 6 HD1 TYR 6 -4.115 18.073 -14.514 419 HD2 TYR 6 HD2 TYR 6 -4.079 19.700 -18.520 420 HE1 TYR 6 HE1 TYR 6 -2.344 19.648 -13.868 421 HE2 TYR 6 HE2 TYR 6 -2.381 21.359 -17.821 422 HH TYR 6 HH TYR 6 -1.098 22.160 -16.088 423 H ASP 7 H ASP 7 -5.394 16.421 -20.787 424 HA ASP 7 HA ASP 7 -6.294 13.688 -20.246 425 HB2 ASP 7 HB2 ASP 7 -5.264 15.026 -22.774 426 HB3 ASP 7 HB3 ASP 7 -5.953 13.402 -22.709 427 H GLY 8 H GLY 8 -3.542 14.896 -19.365 428 HA2 GLY 8 HA2 GLY 8 -2.105 12.674 -18.789 429 HA3 GLY 8 HA3 GLY 8 -1.569 12.993 -20.443 430 H GLN 9 H GLN 9 -1.676 15.940 -20.185 431 HA GLN 9 HA GLN 9 0.929 16.445 -19.193 432 HB2 GLN 9 HB2 GLN 9 -0.255 17.763 -20.957 433 HB3 GLN 9 HB3 GLN 9 -1.339 18.411 -19.725 434 HG2 GLN 9 HG2 GLN 9 0.403 20.040 -20.256 435 HG3 GLN 9 HG3 GLN 9 0.586 19.511 -18.591 436 HE21 GLN 9 HE21 GLN 9 2.805 19.261 -18.072 437 HE22 GLN 9 HE22 GLN 9 3.956 18.593 -19.197 438 H LEU 10 H LEU 10 1.717 17.465 -17.395 439 HA LEU 10 HA LEU 10 -0.104 18.614 -15.409 440 HB2 LEU 10 HB2 LEU 10 0.428 16.267 -14.699 441 HB3 LEU 10 HB3 LEU 10 2.138 16.692 -14.664 442 HG LEU 10 HG LEU 10 0.933 16.381 -12.562 443 HD11 LEU 10 HD11 LEU 10 1.739 19.229 -12.414 444 HD12 LEU 10 HD12 LEU 10 2.933 17.993 -12.859 445 HD13 LEU 10 HD13 LEU 10 2.045 17.843 -11.334 446 HD21 LEU 10 HD21 LEU 10 -0.437 19.037 -12.983 447 HD22 LEU 10 HD22 LEU 10 -0.857 17.725 -11.860 448 HD23 LEU 10 HD23 LEU 10 -1.164 17.524 -13.555 449 H ASP 11 H ASP 11 0.686 20.481 -14.473 450 HA ASP 11 HA ASP 11 2.795 21.838 -15.772 451 HB2 ASP 11 HB2 ASP 11 0.736 22.592 -14.154 452 HB3 ASP 11 HB3 ASP 11 2.049 22.590 -12.992 453 H SER 12 H SER 12 4.956 22.271 -15.234 454 HA SER 12 HA SER 12 6.402 20.215 -13.940 455 HB2 SER 12 HB2 SER 12 8.325 21.626 -14.260 456 HB3 SER 12 HB3 SER 12 7.245 21.684 -15.676 457 HG SER 12 HG SER 12 8.004 23.774 -15.083 458 H GLU 13 H GLU 13 5.193 23.236 -12.640 459 HA GLU 13 HA GLU 13 6.536 23.340 -10.153 460 HB2 GLU 13 HB2 GLU 13 3.834 24.325 -11.130 461 HB3 GLU 13 HB3 GLU 13 4.434 24.699 -9.523 462 HG2 GLU 13 HG2 GLU 13 5.844 25.383 -12.139 463 HG3 GLU 13 HG3 GLU 13 4.846 26.496 -11.212 464 H TRP 14 H TRP 14 3.721 21.376 -11.054 465 HA TRP 14 HA TRP 14 3.399 20.569 -8.213 466 HB2 TRP 14 HB2 TRP 14 1.467 19.561 -10.182 467 HB3 TRP 14 HB3 TRP 14 1.261 20.071 -8.520 468 HD1 TRP 14 HD1 TRP 14 0.283 21.037 -11.806 469 HE1 TRP 14 HE1 TRP 14 -0.140 23.568 -12.090 470 HE3 TRP 14 HE3 TRP 14 2.229 22.720 -7.375 471 HZ2 TRP 14 HZ2 TRP 14 0.434 26.002 -10.662 472 HZ3 TRP 14 HZ3 TRP 14 2.269 25.149 -6.852 473 HH2 TRP 14 HH2 TRP 14 1.402 26.800 -8.496 474 H GLU 15 H GLU 15 4.292 19.278 -11.349 475 HA GLU 15 HA GLU 15 4.644 16.533 -10.743 476 HB2 GLU 15 HB2 GLU 15 4.974 17.186 -12.996 477 HB3 GLU 15 HB3 GLU 15 6.074 18.501 -12.551 478 HG2 GLU 15 HG2 GLU 15 7.802 16.903 -11.904 479 HG3 GLU 15 HG3 GLU 15 6.729 15.546 -12.290 480 H LYS 16 H LYS 16 6.864 19.295 -10.287 481 HA LYS 16 HA LYS 16 8.967 17.718 -9.113 482 HB2 LYS 16 HB2 LYS 16 10.024 19.782 -8.491 483 HB3 LYS 16 HB3 LYS 16 9.410 19.824 -10.140 484 HG2 LYS 16 HG2 LYS 16 8.633 21.827 -9.613 485 HG3 LYS 16 HG3 LYS 16 7.306 20.953 -8.853 486 HD2 LYS 16 HD2 LYS 16 8.486 21.072 -6.660 487 HD3 LYS 16 HD3 LYS 16 9.843 21.901 -7.452 488 HE2 LYS 16 HE2 LYS 16 8.190 23.678 -8.222 489 HE3 LYS 16 HE3 LYS 16 6.978 22.922 -7.188 490 HZ1 LYS 16 HZ1 LYS 16 8.464 23.363 -5.285 491 HZ2 LYS 16 HZ2 LYS 16 8.092 24.755 -6.071 492 HZ3 LYS 16 HZ3 LYS 16 9.560 24.076 -6.269 493 H LEU 17 H LEU 17 6.187 19.244 -7.614 494 HA LEU 17 HA LEU 17 6.958 18.821 -4.855 495 HB2 LEU 17 HB2 LEU 17 4.245 19.110 -6.190 496 HB3 LEU 17 HB3 LEU 17 4.461 19.080 -4.458 497 HG LEU 17 HG LEU 17 5.858 21.123 -6.220 498 HD11 LEU 17 HD11 LEU 17 4.102 22.612 -5.889 499 HD12 LEU 17 HD12 LEU 17 3.379 21.644 -4.581 500 HD13 LEU 17 HD13 LEU 17 3.260 21.100 -6.267 501 HD21 LEU 17 HD21 LEU 17 5.309 20.899 -3.245 502 HD22 LEU 17 HD22 LEU 17 5.898 22.382 -4.043 503 HD23 LEU 17 HD23 LEU 17 6.898 20.916 -4.039 504 H VAL 18 H VAL 18 4.916 16.833 -7.124 505 HA VAL 18 HA VAL 18 4.548 14.802 -5.077 506 HB VAL 18 HB VAL 18 2.972 15.033 -6.883 507 HG11 VAL 18 HG11 VAL 18 4.229 15.551 -8.809 508 HG12 VAL 18 HG12 VAL 18 5.220 14.100 -8.712 509 HG13 VAL 18 HG13 VAL 18 3.494 13.954 -9.107 510 HG21 VAL 18 HG21 VAL 18 3.212 12.903 -5.671 511 HG22 VAL 18 HG22 VAL 18 2.663 12.719 -7.352 512 HG23 VAL 18 HG23 VAL 18 4.331 12.294 -6.896 513 H ARG 19 H ARG 19 6.893 14.986 -7.783 514 HA ARG 19 HA ARG 19 8.225 12.506 -7.260 515 HB2 ARG 19 HB2 ARG 19 9.138 15.144 -8.487 516 HB3 ARG 19 HB3 ARG 19 10.116 13.653 -8.463 517 HG2 ARG 19 HG2 ARG 19 7.981 12.606 -9.590 518 HG3 ARG 19 HG3 ARG 19 7.569 14.237 -10.018 519 HD2 ARG 19 HD2 ARG 19 10.233 12.921 -10.704 520 HD3 ARG 19 HD3 ARG 19 8.797 12.803 -11.700 521 HE ARG 19 HE ARG 19 9.064 14.968 -12.462 522 HH11 ARG 19 HH11 ARG 19 11.444 14.572 -9.904 523 HH12 ARG 19 HH12 ARG 19 12.272 16.029 -10.377 524 HH21 ARG 19 HH21 ARG 19 11.542 17.218 -12.120 525 HH22 ARG 19 HH22 ARG 19 10.135 16.661 -13.020 526 H ASP 20 H ASP 20 8.691 15.733 -5.921 527 HA ASP 20 HA ASP 20 10.804 15.140 -4.063 528 HB2 ASP 20 HB2 ASP 20 8.655 17.212 -4.342 529 HB3 ASP 20 HB3 ASP 20 9.301 16.989 -2.746 530 H ALA 21 H ALA 21 7.204 14.841 -3.655 531 HA ALA 21 HA ALA 21 7.364 14.100 -0.906 532 HB1 ALA 21 HB1 ALA 21 5.285 13.254 -2.966 533 HB2 ALA 21 HB2 ALA 21 5.093 13.254 -1.210 534 HB3 ALA 21 HB3 ALA 21 5.292 14.794 -2.063 535 H MET 22 H MET 22 7.381 12.093 -3.871 536 HA MET 22 HA MET 22 7.616 9.582 -2.554 537 HB2 MET 22 HB2 MET 22 8.555 10.554 -5.260 538 HB3 MET 22 HB3 MET 22 8.870 8.927 -4.647 539 HG2 MET 22 HG2 MET 22 6.049 10.006 -4.897 540 HG3 MET 22 HG3 MET 22 6.892 9.184 -6.184 541 HE1 MET 22 HE1 MET 22 4.657 7.321 -2.849 542 HE2 MET 22 HE2 MET 22 5.792 8.607 -2.358 543 HE3 MET 22 HE3 MET 22 4.561 8.928 -3.603 544 H THR 23 H THR 23 10.297 11.727 -3.810 545 HA THR 23 HA THR 23 12.323 9.921 -2.820 546 HB THR 23 HB THR 23 13.944 11.629 -3.430 547 HG1 THR 23 HG1 THR 23 13.237 13.562 -4.324 548 HG21 THR 23 HG21 THR 23 11.798 11.315 -5.569 549 HG22 THR 23 HG22 THR 23 13.058 10.140 -5.185 550 HG23 THR 23 HG23 THR 23 13.506 11.730 -5.824 551 H SER 24 H SER 24 10.840 12.816 -1.372 552 HA SER 24 HA SER 24 12.800 12.837 0.783 553 HB2 SER 24 HB2 SER 24 11.669 14.870 -0.428 554 HB3 SER 24 HB3 SER 24 10.355 14.622 0.714 555 HG SER 24 HG SER 24 13.155 15.079 1.207 556 H GLY 25 H GLY 25 10.466 10.702 0.329 557 HA2 GLY 25 HA2 GLY 25 9.696 9.067 1.736 558 HA3 GLY 25 HA3 GLY 25 10.572 9.837 3.060 559 H VAL 26 H VAL 26 8.030 11.499 1.257 560 HA VAL 26 HA VAL 26 6.555 12.137 3.681 561 HB VAL 26 HB VAL 26 6.208 12.723 0.743 562 HG11 VAL 26 HG11 VAL 26 4.221 13.454 2.853 563 HG12 VAL 26 HG12 VAL 26 4.467 14.407 1.377 564 HG13 VAL 26 HG13 VAL 26 3.954 12.713 1.275 565 HG21 VAL 26 HG21 VAL 26 6.660 15.044 1.590 566 HG22 VAL 26 HG22 VAL 26 6.853 14.378 3.215 567 HG23 VAL 26 HG23 VAL 26 7.979 13.920 1.925 568 H SER 27 H SER 27 4.467 11.601 4.266 569 HA SER 27 HA SER 27 3.673 8.940 4.107 570 HB2 SER 27 HB2 SER 27 1.961 11.378 4.637 571 HB3 SER 27 HB3 SER 27 1.512 9.699 5.004 572 HG SER 27 HG SER 27 3.028 11.433 6.414 573 H LYS 28 H LYS 28 3.192 7.868 2.269 574 HA LYS 28 HA LYS 28 2.199 8.999 -0.115 575 HB2 LYS 28 HB2 LYS 28 1.850 6.094 0.775 576 HB3 LYS 28 HB3 LYS 28 1.867 6.708 -0.878 577 HG2 LYS 28 HG2 LYS 28 4.266 7.390 -0.562 578 HG3 LYS 28 HG3 LYS 28 4.226 6.650 1.048 579 HD2 LYS 28 HD2 LYS 28 3.546 4.472 -0.008 580 HD3 LYS 28 HD3 LYS 28 3.773 5.215 -1.605 581 HE2 LYS 28 HE2 LYS 28 6.148 5.664 -1.067 582 HE3 LYS 28 HE3 LYS 28 5.914 5.007 0.558 583 HZ1 LYS 28 HZ1 LYS 28 5.353 2.853 -0.500 584 HZ2 LYS 28 HZ2 LYS 28 6.882 3.320 -0.815 585 HZ3 LYS 28 HZ3 LYS 28 5.724 3.465 -1.973 586 H LYS 29 H LYS 29 0.409 7.416 2.500 587 HA LYS 29 HA LYS 29 -2.198 7.427 1.355 588 HB2 LYS 29 HB2 LYS 29 -2.947 7.091 3.671 589 HB3 LYS 29 HB3 LYS 29 -1.569 6.073 3.261 590 HG2 LYS 29 HG2 LYS 29 -0.296 8.295 4.353 591 HG3 LYS 29 HG3 LYS 29 -1.810 8.284 5.253 592 HD2 LYS 29 HD2 LYS 29 -1.396 5.874 5.842 593 HD3 LYS 29 HD3 LYS 29 0.147 5.963 4.954 594 HE2 LYS 29 HE2 LYS 29 0.928 7.751 6.495 595 HE3 LYS 29 HE3 LYS 29 -0.610 7.679 7.366 596 HZ1 LYS 29 HZ1 LYS 29 -0.089 5.372 7.962 597 HZ2 LYS 29 HZ2 LYS 29 1.100 6.361 8.481 598 HZ3 LYS 29 HZ3 LYS 29 1.332 5.435 7.158 599 H GLN 30 H GLN 30 -0.474 10.023 3.050 600 HA GLN 30 HA GLN 30 -2.774 11.654 3.548 601 HB2 GLN 30 HB2 GLN 30 0.165 12.382 3.177 602 HB3 GLN 30 HB3 GLN 30 -1.074 13.543 3.614 603 HG2 GLN 30 HG2 GLN 30 -0.364 11.063 5.235 604 HG3 GLN 30 HG3 GLN 30 0.212 12.700 5.568 605 HE21 GLN 30 HE21 GLN 30 -1.248 11.057 7.445 606 HE22 GLN 30 HE22 GLN 30 -2.779 11.880 7.709 607 H PHE 31 H PHE 31 -0.741 11.280 0.641 608 HA PHE 31 HA PHE 31 -1.488 13.687 -0.672 609 HB2 PHE 31 HB2 PHE 31 -0.140 11.202 -1.382 610 HB3 PHE 31 HB3 PHE 31 -1.238 11.660 -2.661 611 HD1 PHE 31 HD1 PHE 31 -0.409 13.088 -4.341 612 HD2 PHE 31 HD2 PHE 31 1.296 13.275 -0.374 613 HE1 PHE 31 HE1 PHE 31 1.296 14.677 -5.141 614 HE2 PHE 31 HE2 PHE 31 2.941 14.929 -1.166 615 HZ PHE 31 HZ PHE 31 2.927 15.689 -3.543 616 H ARG 32 H ARG 32 -3.057 10.478 -0.915 617 HA ARG 32 HA ARG 32 -5.245 11.351 -2.562 618 HB2 ARG 32 HB2 ARG 32 -4.598 9.015 -2.477 619 HB3 ARG 32 HB3 ARG 32 -4.839 8.954 -0.732 620 HG2 ARG 32 HG2 ARG 32 -6.689 7.850 -1.888 621 HG3 ARG 32 HG3 ARG 32 -7.269 9.252 -1.022 622 HD2 ARG 32 HD2 ARG 32 -7.108 10.543 -3.259 623 HD3 ARG 32 HD3 ARG 32 -6.887 8.995 -4.049 624 HE ARG 32 HE ARG 32 -9.317 10.123 -2.800 625 HH11 ARG 32 HH11 ARG 32 -8.040 7.081 -4.038 626 HH12 ARG 32 HH12 ARG 32 -9.644 6.410 -4.157 627 HH21 ARG 32 HH21 ARG 32 -11.145 9.282 -2.925 628 HH22 ARG 32 HH22 ARG 32 -11.431 7.647 -3.536 629 H GLU 33 H GLU 33 -5.096 10.828 0.967 630 HA GLU 33 HA GLU 33 -7.816 11.600 1.399 631 HB2 GLU 33 HB2 GLU 33 -5.490 11.736 3.355 632 HB3 GLU 33 HB3 GLU 33 -7.208 11.824 3.762 633 HG2 GLU 33 HG2 GLU 33 -5.715 9.423 2.712 634 HG3 GLU 33 HG3 GLU 33 -6.480 9.628 4.286 635 H PHE 34 H PHE 34 -4.842 13.676 1.546 636 HA PHE 34 HA PHE 34 -6.300 16.073 2.108 637 HB2 PHE 34 HB2 PHE 34 -4.216 16.560 2.638 638 HB3 PHE 34 HB3 PHE 34 -3.518 15.401 1.547 639 HD1 PHE 34 HD1 PHE 34 -2.652 15.946 -0.575 640 HD2 PHE 34 HD2 PHE 34 -4.769 18.935 1.730 641 HE1 PHE 34 HE1 PHE 34 -1.862 17.714 -2.117 642 HE2 PHE 34 HE2 PHE 34 -4.082 20.645 0.122 643 HZ PHE 34 HZ PHE 34 -2.597 20.077 -1.779 644 H LEU 35 H LEU 35 -5.489 14.490 -1.026 645 HA LEU 35 HA LEU 35 -6.436 16.535 -2.723 646 HB2 LEU 35 HB2 LEU 35 -5.742 13.749 -3.002 647 HB3 LEU 35 HB3 LEU 35 -7.335 13.901 -3.670 648 HG LEU 35 HG LEU 35 -5.680 14.173 -5.412 649 HD11 LEU 35 HD11 LEU 35 -7.810 15.638 -5.312 650 HD12 LEU 35 HD12 LEU 35 -6.530 16.048 -6.452 651 HD13 LEU 35 HD13 LEU 35 -6.697 16.969 -4.941 652 HD21 LEU 35 HD21 LEU 35 -4.542 16.498 -3.860 653 HD22 LEU 35 HD22 LEU 35 -4.012 15.846 -5.433 654 HD23 LEU 35 HD23 LEU 35 -3.835 14.877 -3.971 655 H ASP 36 H ASP 36 -8.374 13.806 -1.397 656 HA ASP 36 HA ASP 36 -10.845 14.887 -2.411 657 HB2 ASP 36 HB2 ASP 36 -10.315 12.750 -0.344 658 HB3 ASP 36 HB3 ASP 36 -11.914 13.173 -0.957 659 H TYR 37 H TYR 37 -9.246 15.237 0.761 660 HA TYR 37 HA TYR 37 -11.283 16.674 2.111 661 HB2 TYR 37 HB2 TYR 37 -9.405 15.926 3.297 662 HB3 TYR 37 HB3 TYR 37 -8.283 16.677 2.178 663 HD1 TYR 37 HD1 TYR 37 -6.943 18.135 3.371 664 HD2 TYR 37 HD2 TYR 37 -11.209 18.160 4.039 665 HE1 TYR 37 HE1 TYR 37 -6.697 20.116 4.858 666 HE2 TYR 37 HE2 TYR 37 -10.956 20.141 5.513 667 HH TYR 37 HH TYR 37 -7.816 21.747 6.078 668 H GLN 38 H GLN 38 -8.595 18.062 0.054 669 HA GLN 38 HA GLN 38 -9.741 20.710 0.187 670 HB2 GLN 38 HB2 GLN 38 -7.782 19.479 -1.802 671 HB3 GLN 38 HB3 GLN 38 -8.387 21.122 -1.929 672 HG2 GLN 38 HG2 GLN 38 -6.723 20.018 0.346 673 HG3 GLN 38 HG3 GLN 38 -6.241 21.217 -0.877 674 HE21 GLN 38 HE21 GLN 38 -6.581 21.287 2.245 675 HE22 GLN 38 HE22 GLN 38 -7.458 22.789 2.442 676 H LYS 39 H LYS 39 -10.271 18.032 -2.184 677 HA LYS 39 HA LYS 39 -11.736 19.589 -4.080 678 HB2 LYS 39 HB2 LYS 39 -11.815 16.675 -3.169 679 HB3 LYS 39 HB3 LYS 39 -12.944 17.233 -4.382 680 HG2 LYS 39 HG2 LYS 39 -11.340 17.572 -5.978 681 HG3 LYS 39 HG3 LYS 39 -9.964 17.582 -4.907 682 HD2 LYS 39 HD2 LYS 39 -10.066 15.266 -4.508 683 HD3 LYS 39 HD3 LYS 39 -11.728 15.123 -5.107 684 HE2 LYS 39 HE2 LYS 39 -10.931 15.498 -7.415 685 HE3 LYS 39 HE3 LYS 39 -9.276 15.659 -6.824 686 HZ1 LYS 39 HZ1 LYS 39 -9.549 13.355 -5.876 687 HZ2 LYS 39 HZ2 LYS 39 -9.634 13.362 -7.521 688 HZ3 LYS 39 HZ3 LYS 39 -10.983 13.227 -6.611 689 H TRP 40 H TRP 40 -12.983 17.727 -1.299 690 HA TRP 40 HA TRP 40 -15.679 18.743 -1.703 691 HB2 TRP 40 HB2 TRP 40 -14.379 16.647 -0.041 692 HB3 TRP 40 HB3 TRP 40 -15.931 17.273 0.507 693 HD1 TRP 40 HD1 TRP 40 -18.042 17.008 -1.028 694 HE1 TRP 40 HE1 TRP 40 -18.642 15.551 -3.037 695 HE3 TRP 40 HE3 TRP 40 -13.399 15.103 -2.096 696 HZ2 TRP 40 HZ2 TRP 40 -17.323 13.729 -4.825 697 HZ3 TRP 40 HZ3 TRP 40 -13.105 13.502 -3.965 698 HH2 TRP 40 HH2 TRP 40 -15.053 12.818 -5.350 699 H ARG 41 H ARG 41 -13.118 20.203 -0.077 700 HA ARG 41 HA ARG 41 -15.061 21.949 1.412 701 HB2 ARG 41 HB2 ARG 41 -12.149 21.354 1.668 702 HB3 ARG 41 HB3 ARG 41 -12.508 23.059 1.640 703 HG2 ARG 41 HG2 ARG 41 -12.553 22.399 3.940 704 HG3 ARG 41 HG3 ARG 41 -14.200 22.746 3.445 705 HD2 ARG 41 HD2 ARG 41 -14.119 20.027 2.911 706 HD3 ARG 41 HD3 ARG 41 -12.924 20.131 4.183 707 HE ARG 41 HE ARG 41 -14.664 21.225 5.608 708 HH11 ARG 41 HH11 ARG 41 -17.552 19.362 3.635 709 HH12 ARG 41 HH12 ARG 41 -16.116 19.765 2.687 710 HH21 ARG 41 HH21 ARG 41 -16.565 20.456 6.606 711 HH22 ARG 41 HH22 ARG 41 -17.814 19.784 5.536 712 H LYS 42 H LYS 42 -12.626 22.078 -1.141 713 HA LYS 42 HA LYS 42 -13.022 24.908 -1.608 714 HB2 LYS 42 HB2 LYS 42 -10.849 23.422 -1.585 715 HB3 LYS 42 HB3 LYS 42 -11.282 22.989 -3.230 716 HG2 LYS 42 HG2 LYS 42 -9.612 24.802 -3.090 717 HG3 LYS 42 HG3 LYS 42 -11.075 25.350 -3.903 718 HD2 LYS 42 HD2 LYS 42 -10.039 27.005 -2.299 719 HD3 LYS 42 HD3 LYS 42 -11.745 26.693 -2.077 720 HE2 LYS 42 HE2 LYS 42 -10.730 26.863 0.078 721 HE3 LYS 42 HE3 LYS 42 -11.245 25.193 -0.140 722 HZ1 LYS 42 HZ1 LYS 42 -8.454 25.975 -0.753 723 HZ2 LYS 42 HZ2 LYS 42 -9.016 24.498 -0.360 724 HZ3 LYS 42 HZ3 LYS 42 -8.911 25.639 0.788 725 H SER 43 H SER 43 -13.655 21.982 -3.551 726 HA SER 43 HA SER 43 -15.228 23.621 -5.498 727 HB2 SER 43 HB2 SER 43 -13.603 21.998 -6.407 728 HB3 SER 43 HB3 SER 43 -14.466 20.684 -5.591 729 HG SER 43 HG SER 43 -15.378 22.378 -7.690 730 H GLN 44 H GLN 44 -15.529 21.120 -2.999 731 HA GLN 44 HA GLN 44 -17.254 20.397 -1.760 732 HB2 GLN 44 HB2 GLN 44 -17.347 23.060 -1.611 733 HB3 GLN 44 HB3 GLN 44 -18.933 22.822 -2.312 734 HG2 GLN 44 HG2 GLN 44 -17.836 21.821 0.337 735 HG3 GLN 44 HG3 GLN 44 -19.166 22.930 0.071 736 HE21 GLN 44 HE21 GLN 44 -18.228 19.534 0.234 737 HE22 GLN 44 HE22 GLN 44 -19.877 18.915 0.124 738 H LYS 45 H LYS 45 -17.211 19.047 -3.915 739 HA LYS 45 HA LYS 45 -19.344 19.232 -5.789 740 HB2 LYS 45 HB2 LYS 45 -17.390 17.007 -5.097 741 HB3 LYS 45 HB3 LYS 45 -18.415 17.013 -6.536 742 HG2 LYS 45 HG2 LYS 45 -17.257 18.814 -7.532 743 HG3 LYS 45 HG3 LYS 45 -16.612 19.391 -6.002 744 HD2 LYS 45 HD2 LYS 45 -14.799 18.460 -7.202 745 HD3 LYS 45 HD3 LYS 45 -15.155 17.412 -5.820 746 HE2 LYS 45 HE2 LYS 45 -16.395 15.862 -7.346 747 HE3 LYS 45 HE3 LYS 45 -16.072 16.951 -8.702 748 HZ1 LYS 45 HZ1 LYS 45 -14.033 15.463 -7.147 749 HZ2 LYS 45 HZ2 LYS 45 -13.662 16.574 -8.292 750 HZ3 LYS 45 HZ3 LYS 45 -14.449 15.194 -8.706 751 H GLU 46 H GLU 46 -21.323 19.268 -4.738 752 HA GLU 46 HA GLU 46 -22.281 17.385 -2.869 753 HB2 GLU 46 HB2 GLU 46 -23.865 18.994 -4.918 754 HB3 GLU 46 HB3 GLU 46 -24.543 18.151 -3.520 755 HG2 GLU 46 HG2 GLU 46 -23.196 19.589 -2.002 756 HG3 GLU 46 HG3 GLU 46 -22.543 20.448 -3.404 757 H GLU 47 H GLU 47 -23.663 15.582 -3.011 758 HA GLU 47 HA GLU 47 -24.221 14.270 -5.598 759 HB2 GLU 47 HB2 GLU 47 -21.967 13.499 -5.076 760 HB3 GLU 47 HB3 GLU 47 -22.452 13.062 -3.445 761 HG2 GLU 47 HG2 GLU 47 -22.234 11.086 -4.831 762 HG3 GLU 47 HG3 GLU 47 -23.887 11.274 -4.272 763 H1 GLY 1 H1 GLY 1 -13.175 -2.324 16.734 764 H2 GLY 1 H2 GLY 1 -13.757 -2.294 18.266 765 H3 GLY 1 H3 GLY 1 -12.290 -2.956 17.960 766 HA2 GLY 1 HA2 GLY 1 -11.383 -0.825 17.319 767 HA3 GLY 1 HA3 GLY 1 -12.975 -0.106 17.623 768 H SER 2 H SER 2 -10.286 0.393 18.877 769 HA SER 2 HA SER 2 -10.386 -0.534 21.624 770 HB2 SER 2 HB2 SER 2 -8.551 1.081 21.954 771 HB3 SER 2 HB3 SER 2 -8.271 -0.001 20.582 772 HG SER 2 HG SER 2 -7.782 2.193 20.087 773 H HIS 3 H HIS 3 -10.612 0.817 23.503 774 HA HIS 3 HA HIS 3 -12.988 2.467 23.466 775 HB2 HIS 3 HB2 HIS 3 -10.950 2.000 25.673 776 HB3 HIS 3 HB3 HIS 3 -12.546 2.713 25.871 777 HD1 HIS 3 HD1 HIS 3 -11.898 0.185 27.545 778 HD2 HIS 3 HD2 HIS 3 -13.710 0.167 23.746 779 HE1 HIS 3 HE1 HIS 3 -13.200 -2.000 27.384 780 H MET 4 H MET 4 -13.232 4.665 23.873 781 HA MET 4 HA MET 4 -11.088 6.447 22.999 782 HB2 MET 4 HB2 MET 4 -13.831 7.066 24.150 783 HB3 MET 4 HB3 MET 4 -12.734 8.239 23.423 784 HG2 MET 4 HG2 MET 4 -14.006 5.886 21.959 785 HG3 MET 4 HG3 MET 4 -14.557 7.551 21.933 786 HE1 MET 4 HE1 MET 4 -12.663 4.926 20.093 787 HE2 MET 4 HE2 MET 4 -11.259 5.722 19.355 788 HE3 MET 4 HE3 MET 4 -11.254 5.355 21.088 789 H GLU 5 H GLU 5 -10.039 8.041 24.170 790 HA GLU 5 HA GLU 5 -9.471 7.474 26.978 791 HB2 GLU 5 HB2 GLU 5 -8.547 9.641 25.045 792 HB3 GLU 5 HB3 GLU 5 -7.943 9.472 26.696 793 HG2 GLU 5 HG2 GLU 5 -7.241 7.110 26.144 794 HG3 GLU 5 HG3 GLU 5 -7.684 7.409 24.460 795 H TYR 6 H TYR 6 -11.853 9.324 25.504 796 HA TYR 6 HA TYR 6 -11.850 11.633 27.255 797 HB2 TYR 6 HB2 TYR 6 -12.602 11.352 24.761 798 HB3 TYR 6 HB3 TYR 6 -14.127 10.803 25.440 799 HD1 TYR 6 HD1 TYR 6 -15.757 12.481 26.042 800 HD2 TYR 6 HD2 TYR 6 -11.605 13.557 25.575 801 HE1 TYR 6 HE1 TYR 6 -16.342 14.881 26.314 802 HE2 TYR 6 HE2 TYR 6 -12.221 15.963 25.594 803 HH TYR 6 HH TYR 6 -15.550 16.980 26.541 804 H ASP 7 H ASP 7 -13.396 12.313 28.727 805 HA ASP 7 HA ASP 7 -15.415 10.421 29.755 806 HB2 ASP 7 HB2 ASP 7 -13.209 9.897 30.866 807 HB3 ASP 7 HB3 ASP 7 -13.224 11.515 31.561 808 H GLY 8 H GLY 8 -15.989 12.691 28.383 809 HA2 GLY 8 HA2 GLY 8 -17.432 14.489 28.476 810 HA3 GLY 8 HA3 GLY 8 -17.698 14.143 30.185 811 H GLN 9 H GLN 9 -14.441 14.769 29.119 812 HA GLN 9 HA GLN 9 -14.371 17.570 30.087 813 HB2 GLN 9 HB2 GLN 9 -14.268 16.150 32.099 814 HB3 GLN 9 HB3 GLN 9 -12.995 15.177 31.373 815 HG2 GLN 9 HG2 GLN 9 -12.163 17.987 31.406 816 HG3 GLN 9 HG3 GLN 9 -12.741 17.526 32.993 817 HE21 GLN 9 HE21 GLN 9 -9.953 17.541 31.054 818 HE22 GLN 9 HE22 GLN 9 -9.082 16.299 31.942 819 H LEU 10 H LEU 10 -12.896 18.709 28.867 820 HA LEU 10 HA LEU 10 -11.264 17.289 26.969 821 HB2 LEU 10 HB2 LEU 10 -12.343 19.621 26.715 822 HB3 LEU 10 HB3 LEU 10 -10.946 20.245 27.592 823 HG LEU 10 HG LEU 10 -10.941 20.481 25.144 824 HD11 LEU 10 HD11 LEU 10 -8.751 20.150 24.759 825 HD12 LEU 10 HD12 LEU 10 -8.664 18.651 25.715 826 HD13 LEU 10 HD13 LEU 10 -8.797 20.220 26.531 827 HD21 LEU 10 HD21 LEU 10 -10.304 17.617 24.640 828 HD22 LEU 10 HD22 LEU 10 -11.292 18.777 23.716 829 HD23 LEU 10 HD23 LEU 10 -11.981 17.984 25.066 830 H ASP 11 H ASP 11 -9.348 16.561 27.055 831 HA ASP 11 HA ASP 11 -7.797 16.525 29.453 832 HB2 ASP 11 HB2 ASP 11 -8.018 14.933 27.298 833 HB3 ASP 11 HB3 ASP 11 -6.669 15.893 26.746 834 H SER 12 H SER 12 -6.182 17.869 30.114 835 HA SER 12 HA SER 12 -5.991 20.485 29.124 836 HB2 SER 12 HB2 SER 12 -3.892 18.989 30.708 837 HB3 SER 12 HB3 SER 12 -4.095 20.759 30.611 838 HG SER 12 HG SER 12 -5.050 19.871 32.514 839 H GLU 13 H GLU 13 -4.211 17.717 28.075 840 HA GLU 13 HA GLU 13 -2.009 18.958 26.689 841 HB2 GLU 13 HB2 GLU 13 -3.412 16.258 26.479 842 HB3 GLU 13 HB3 GLU 13 -2.043 16.725 25.469 843 HG2 GLU 13 HG2 GLU 13 -0.773 17.264 27.633 844 HG3 GLU 13 HG3 GLU 13 -2.080 16.464 28.506 845 H TRP 14 H TRP 14 -5.387 18.381 25.744 846 HA TRP 14 HA TRP 14 -4.767 19.256 22.989 847 HB2 TRP 14 HB2 TRP 14 -7.554 18.640 23.749 848 HB3 TRP 14 HB3 TRP 14 -6.693 18.396 22.241 849 HD1 TRP 14 HD1 TRP 14 -8.307 16.421 24.623 850 HE1 TRP 14 HE1 TRP 14 -7.261 14.094 25.011 851 HE3 TRP 14 HE3 TRP 14 -3.828 17.098 22.242 852 HZ2 TRP 14 HZ2 TRP 14 -4.816 12.717 24.382 853 HZ3 TRP 14 HZ3 TRP 14 -2.158 15.264 22.134 854 HH2 TRP 14 HH2 TRP 14 -2.628 13.080 23.223 855 H GLU 15 H GLU 15 -6.441 20.434 25.845 856 HA GLU 15 HA GLU 15 -7.588 22.850 24.896 857 HB2 GLU 15 HB2 GLU 15 -8.063 22.241 27.126 858 HB3 GLU 15 HB3 GLU 15 -6.359 21.981 27.517 859 HG2 GLU 15 HG2 GLU 15 -5.946 24.416 27.347 860 HG3 GLU 15 HG3 GLU 15 -7.672 24.683 27.065 861 H LYS 16 H LYS 16 -4.291 22.178 26.022 862 HA LYS 16 HA LYS 16 -3.357 24.881 25.588 863 HB2 LYS 16 HB2 LYS 16 -1.139 24.075 26.034 864 HB3 LYS 16 HB3 LYS 16 -2.317 23.474 27.193 865 HG2 LYS 16 HG2 LYS 16 -1.290 21.532 26.917 866 HG3 LYS 16 HG3 LYS 16 -2.326 21.380 25.504 867 HD2 LYS 16 HD2 LYS 16 -0.492 22.259 24.061 868 HD3 LYS 16 HD3 LYS 16 0.522 22.479 25.503 869 HE2 LYS 16 HE2 LYS 16 0.263 19.995 25.966 870 HE3 LYS 16 HE3 LYS 16 -0.531 19.838 24.393 871 HZ1 LYS 16 HZ1 LYS 16 1.529 20.700 23.375 872 HZ2 LYS 16 HZ2 LYS 16 1.839 19.346 24.237 873 HZ3 LYS 16 HZ3 LYS 16 2.248 20.805 24.840 874 H LEU 17 H LEU 17 -3.512 22.159 23.385 875 HA LEU 17 HA LEU 17 -1.898 23.343 21.276 876 HB2 LEU 17 HB2 LEU 17 -4.084 21.236 21.219 877 HB3 LEU 17 HB3 LEU 17 -3.069 21.607 19.849 878 HG LEU 17 HG LEU 17 -1.865 20.704 22.489 879 HD11 LEU 17 HD11 LEU 17 -2.030 18.485 21.854 880 HD12 LEU 17 HD12 LEU 17 -2.359 18.865 20.147 881 HD13 LEU 17 HD13 LEU 17 -3.621 19.103 21.375 882 HD21 LEU 17 HD21 LEU 17 -0.292 21.731 20.950 883 HD22 LEU 17 HD22 LEU 17 -0.884 20.669 19.651 884 HD23 LEU 17 HD23 LEU 17 -0.025 19.974 21.048 885 H VAL 18 H VAL 18 -5.470 23.202 21.866 886 HA VAL 18 HA VAL 18 -6.027 24.785 19.503 887 HB VAL 18 HB VAL 18 -7.678 23.320 20.463 888 HG11 VAL 18 HG11 VAL 18 -7.345 23.464 22.780 889 HG12 VAL 18 HG12 VAL 18 -7.593 25.200 22.825 890 HG13 VAL 18 HG13 VAL 18 -8.974 24.118 22.495 891 HG21 VAL 18 HG21 VAL 18 -9.623 24.719 20.328 892 HG22 VAL 18 HG22 VAL 18 -8.668 26.180 20.607 893 HG23 VAL 18 HG23 VAL 18 -8.443 25.255 19.109 894 H ARG 19 H ARG 19 -5.679 25.823 22.953 895 HA ARG 19 HA ARG 19 -5.837 28.625 22.562 896 HB2 ARG 19 HB2 ARG 19 -4.343 26.821 24.494 897 HB3 ARG 19 HB3 ARG 19 -4.085 28.582 24.517 898 HG2 ARG 19 HG2 ARG 19 -6.542 28.867 24.738 899 HG3 ARG 19 HG3 ARG 19 -6.697 27.116 25.010 900 HD2 ARG 19 HD2 ARG 19 -5.095 29.122 26.654 901 HD3 ARG 19 HD3 ARG 19 -6.737 28.633 27.003 902 HE ARG 19 HE ARG 19 -6.081 26.604 27.845 903 HH11 ARG 19 HH11 ARG 19 -3.163 28.142 26.638 904 HH12 ARG 19 HH12 ARG 19 -2.152 27.162 27.659 905 HH21 ARG 19 HH21 ARG 19 -4.784 25.463 29.113 906 HH22 ARG 19 HH22 ARG 19 -3.046 25.656 29.014 907 H ASP 20 H ASP 20 -2.935 26.559 22.251 908 HA ASP 20 HA ASP 20 -1.068 28.550 21.528 909 HB2 ASP 20 HB2 ASP 20 -1.442 25.598 21.100 910 HB3 ASP 20 HB3 ASP 20 -0.189 26.396 20.160 911 H ALA 21 H ALA 21 -3.266 26.662 19.346 912 HA ALA 21 HA ALA 21 -2.342 27.966 16.954 913 HB1 ALA 21 HB1 ALA 21 -4.520 27.179 16.018 914 HB2 ALA 21 HB2 ALA 21 -3.594 25.918 16.838 915 HB3 ALA 21 HB3 ALA 21 -5.002 26.653 17.641 916 H MET 22 H MET 22 -5.067 28.762 19.185 917 HA MET 22 HA MET 22 -6.009 30.990 17.751 918 HB2 MET 22 HB2 MET 22 -6.044 30.634 20.756 919 HB3 MET 22 HB3 MET 22 -6.963 31.799 19.814 920 HG2 MET 22 HG2 MET 22 -7.579 29.004 20.372 921 HG3 MET 22 HG3 MET 22 -8.594 30.316 19.955 922 HE1 MET 22 HE1 MET 22 -9.207 31.164 17.998 923 HE2 MET 22 HE2 MET 22 -7.925 31.139 16.772 924 HE3 MET 22 HE3 MET 22 -9.450 30.253 16.488 925 H THR 23 H THR 23 -3.410 30.934 20.253 926 HA THR 23 HA THR 23 -2.963 33.800 20.048 927 HB THR 23 HB THR 23 -1.071 33.427 21.561 928 HG1 THR 23 HG1 THR 23 -0.328 31.431 21.013 929 HG21 THR 23 HG21 THR 23 -3.329 33.712 22.494 930 HG22 THR 23 HG22 THR 23 -2.329 32.641 23.495 931 HG23 THR 23 HG23 THR 23 -3.584 31.954 22.444 932 H SER 24 H SER 24 -1.403 30.981 18.496 933 HA SER 24 HA SER 24 0.784 32.651 17.526 934 HB2 SER 24 HB2 SER 24 0.855 30.168 18.141 935 HB3 SER 24 HB3 SER 24 0.248 29.892 16.487 936 HG SER 24 HG SER 24 2.030 30.969 15.696 937 H GLY 25 H GLY 25 -2.285 32.848 16.578 938 HA2 GLY 25 HA2 GLY 25 -3.213 33.945 14.766 939 HA3 GLY 25 HA3 GLY 25 -1.596 34.155 14.086 940 H VAL 26 H VAL 26 -2.627 30.922 14.808 941 HA VAL 26 HA VAL 26 -2.431 29.948 12.093 942 HB VAL 26 HB VAL 26 -3.331 28.810 14.709 943 HG11 VAL 26 HG11 VAL 26 -4.700 27.491 13.447 944 HG12 VAL 26 HG12 VAL 26 -3.560 27.402 12.106 945 HG13 VAL 26 HG13 VAL 26 -3.211 26.541 13.628 946 HG21 VAL 26 HG21 VAL 26 -1.261 27.449 14.377 947 HG22 VAL 26 HG22 VAL 26 -0.961 28.316 12.865 948 HG23 VAL 26 HG23 VAL 26 -0.929 29.180 14.411 949 H SER 27 H SER 27 -4.015 29.293 10.670 950 HA SER 27 HA SER 27 -6.217 30.988 10.387 951 HB2 SER 27 HB2 SER 27 -5.683 28.293 9.133 952 HB3 SER 27 HB3 SER 27 -6.981 29.388 8.617 953 HG SER 27 HG SER 27 -5.427 30.923 8.065 954 H LYS 28 H LYS 28 -7.940 31.124 11.632 955 HA LYS 28 HA LYS 28 -8.722 29.196 13.519 956 HB2 LYS 28 HB2 LYS 28 -10.528 31.402 12.432 957 HB3 LYS 28 HB3 LYS 28 -10.596 30.628 14.019 958 HG2 LYS 28 HG2 LYS 28 -8.288 31.591 14.494 959 HG3 LYS 28 HG3 LYS 28 -8.426 32.495 12.976 960 HD2 LYS 28 HD2 LYS 28 -10.613 33.455 13.862 961 HD3 LYS 28 HD3 LYS 28 -10.208 32.764 15.434 962 HE2 LYS 28 HE2 LYS 28 -8.512 34.762 13.855 963 HE3 LYS 28 HE3 LYS 28 -9.612 35.189 15.165 964 HZ1 LYS 28 HZ1 LYS 28 -7.340 35.018 15.962 965 HZ2 LYS 28 HZ2 LYS 28 -7.204 33.471 15.469 966 HZ3 LYS 28 HZ3 LYS 28 -8.242 33.870 16.682 967 H LYS 29 H LYS 29 -9.951 29.660 10.214 968 HA LYS 29 HA LYS 29 -12.177 27.865 10.382 969 HB2 LYS 29 HB2 LYS 29 -12.150 27.989 7.961 970 HB3 LYS 29 HB3 LYS 29 -11.923 29.587 8.672 971 HG2 LYS 29 HG2 LYS 29 -9.299 28.758 8.315 972 HG3 LYS 29 HG3 LYS 29 -10.102 27.895 7.008 973 HD2 LYS 29 HD2 LYS 29 -10.239 30.882 7.596 974 HD3 LYS 29 HD3 LYS 29 -9.197 30.142 6.364 975 HE2 LYS 29 HE2 LYS 29 -11.202 29.268 5.168 976 HE3 LYS 29 HE3 LYS 29 -12.254 30.028 6.365 977 HZ1 LYS 29 HZ1 LYS 29 -12.017 31.423 4.396 978 HZ2 LYS 29 HZ2 LYS 29 -10.397 31.495 4.564 979 HZ3 LYS 29 HZ3 LYS 29 -11.368 32.196 5.677 980 H GLN 30 H GLN 30 -8.740 27.310 9.716 981 HA GLN 30 HA GLN 30 -9.033 24.712 8.583 982 HB2 GLN 30 HB2 GLN 30 -6.712 25.953 10.116 983 HB3 GLN 30 HB3 GLN 30 -6.694 24.390 9.310 984 HG2 GLN 30 HG2 GLN 30 -7.101 27.035 7.909 985 HG3 GLN 30 HG3 GLN 30 -5.586 26.114 8.007 986 HE21 GLN 30 HE21 GLN 30 -6.868 26.912 5.532 987 HE22 GLN 30 HE22 GLN 30 -7.322 25.410 4.740 988 H PHE 31 H PHE 31 -8.978 25.748 11.978 989 HA PHE 31 HA PHE 31 -8.630 23.104 13.120 990 HB2 PHE 31 HB2 PHE 31 -9.354 25.793 14.062 991 HB3 PHE 31 HB3 PHE 31 -10.176 24.486 14.905 992 HD1 PHE 31 HD1 PHE 31 -6.670 25.098 13.558 993 HD2 PHE 31 HD2 PHE 31 -9.136 23.520 16.721 994 HE1 PHE 31 HE1 PHE 31 -4.636 24.532 14.854 995 HE2 PHE 31 HE2 PHE 31 -7.080 23.035 18.051 996 HZ PHE 31 HZ PHE 31 -4.847 23.483 17.114 997 H ARG 32 H ARG 32 -11.625 24.818 12.132 998 HA ARG 32 HA ARG 32 -13.281 22.508 12.675 999 HB2 ARG 32 HB2 ARG 32 -14.302 24.719 12.529 1000 HB3 ARG 32 HB3 ARG 32 -13.688 24.942 10.893 1001 HG2 ARG 32 HG2 ARG 32 -16.056 24.402 10.811 1002 HG3 ARG 32 HG3 ARG 32 -15.129 23.128 10.056 1003 HD2 ARG 32 HD2 ARG 32 -15.263 21.962 12.432 1004 HD3 ARG 32 HD3 ARG 32 -16.605 23.055 12.716 1005 HE ARG 32 HE ARG 32 -16.384 20.776 10.822 1006 HH11 ARG 32 HH11 ARG 32 -18.531 23.426 11.703 1007 HH12 ARG 32 HH12 ARG 32 -19.885 22.630 10.948 1008 HH21 ARG 32 HH21 ARG 32 -17.968 19.928 9.934 1009 HH22 ARG 32 HH22 ARG 32 -19.588 20.635 9.921 1010 H GLU 33 H GLU 33 -11.830 23.717 9.655 1011 HA GLU 33 HA GLU 33 -12.834 21.578 8.081 1012 HB2 GLU 33 HB2 GLU 33 -10.305 23.146 7.551 1013 HB3 GLU 33 HB3 GLU 33 -11.219 22.179 6.396 1014 HG2 GLU 33 HG2 GLU 33 -11.875 24.861 7.508 1015 HG3 GLU 33 HG3 GLU 33 -11.819 24.342 5.834 1016 H PHE 34 H PHE 34 -9.722 21.632 9.918 1017 HA PHE 34 HA PHE 34 -9.043 19.021 8.922 1018 HB2 PHE 34 HB2 PHE 34 -7.061 19.208 9.808 1019 HB3 PHE 34 HB3 PHE 34 -7.454 20.906 9.896 1020 HD1 PHE 34 HD1 PHE 34 -7.105 22.016 11.916 1021 HD2 PHE 34 HD2 PHE 34 -7.450 17.720 11.945 1022 HE1 PHE 34 HE1 PHE 34 -6.661 21.989 14.356 1023 HE2 PHE 34 HE2 PHE 34 -7.015 17.707 14.385 1024 HZ PHE 34 HZ PHE 34 -6.677 19.868 15.594 1025 H LEU 35 H LEU 35 -10.825 20.186 11.800 1026 HA LEU 35 HA LEU 35 -11.214 17.648 13.014 1027 HB2 LEU 35 HB2 LEU 35 -12.371 20.281 13.258 1028 HB3 LEU 35 HB3 LEU 35 -13.706 19.195 12.960 1029 HG LEU 35 HG LEU 35 -13.365 19.486 15.318 1030 HD11 LEU 35 HD11 LEU 35 -13.352 17.273 16.051 1031 HD12 LEU 35 HD12 LEU 35 -12.292 16.725 14.732 1032 HD13 LEU 35 HD13 LEU 35 -13.969 17.203 14.400 1033 HD21 LEU 35 HD21 LEU 35 -10.981 20.163 15.144 1034 HD22 LEU 35 HD22 LEU 35 -10.530 18.462 14.949 1035 HD23 LEU 35 HD23 LEU 35 -11.306 19.026 16.447 1036 H ASP 36 H ASP 36 -13.116 19.196 10.384 1037 HA ASP 36 HA ASP 36 -14.734 16.926 9.782 1038 HB2 ASP 36 HB2 ASP 36 -13.806 19.172 7.962 1039 HB3 ASP 36 HB3 ASP 36 -15.001 17.958 7.532 1040 H TYR 37 H TYR 37 -11.518 17.849 8.446 1041 HA TYR 37 HA TYR 37 -11.232 15.865 6.516 1042 HB2 TYR 37 HB2 TYR 37 -9.674 17.761 6.855 1043 HB3 TYR 37 HB3 TYR 37 -9.137 17.039 8.364 1044 HD1 TYR 37 HD1 TYR 37 -6.816 17.171 7.761 1045 HD2 TYR 37 HD2 TYR 37 -9.608 14.899 5.376 1046 HE1 TYR 37 HE1 TYR 37 -4.919 16.020 6.619 1047 HE2 TYR 37 HE2 TYR 37 -7.735 13.825 4.215 1048 HH TYR 37 HH TYR 37 -4.359 14.166 5.201 1049 H GLN 38 H GLN 38 -10.162 15.628 9.971 1050 HA GLN 38 HA GLN 38 -9.435 12.822 9.633 1051 HB2 GLN 38 HB2 GLN 38 -9.843 14.501 12.130 1052 HB3 GLN 38 HB3 GLN 38 -9.235 12.838 12.110 1053 HG2 GLN 38 HG2 GLN 38 -7.877 15.302 10.960 1054 HG3 GLN 38 HG3 GLN 38 -7.333 14.296 12.310 1055 HE21 GLN 38 HE21 GLN 38 -6.201 14.989 9.433 1056 HE22 GLN 38 HE22 GLN 38 -5.739 13.397 8.868 1057 H LYS 39 H LYS 39 -12.378 14.468 10.905 1058 HA LYS 39 HA LYS 39 -13.798 12.115 11.680 1059 HB2 LYS 39 HB2 LYS 39 -14.593 14.843 10.644 1060 HB3 LYS 39 HB3 LYS 39 -15.809 13.597 10.830 1061 HG2 LYS 39 HG2 LYS 39 -15.477 13.379 13.130 1062 HG3 LYS 39 HG3 LYS 39 -14.017 14.364 13.209 1063 HD2 LYS 39 HD2 LYS 39 -15.286 16.364 12.604 1064 HD3 LYS 39 HD3 LYS 39 -16.734 15.404 12.248 1065 HE2 LYS 39 HE2 LYS 39 -16.854 14.710 14.636 1066 HE3 LYS 39 HE3 LYS 39 -15.457 15.726 15.000 1067 HZ1 LYS 39 HZ1 LYS 39 -16.771 17.665 14.257 1068 HZ2 LYS 39 HZ2 LYS 39 -17.565 16.896 15.456 1069 HZ3 LYS 39 HZ3 LYS 39 -18.053 16.718 13.913 1070 H TRP 40 H TRP 40 -13.387 13.521 8.435 1071 HA TRP 40 HA TRP 40 -15.050 11.976 6.850 1072 HB2 TRP 40 HB2 TRP 40 -13.202 13.929 6.423 1073 HB3 TRP 40 HB3 TRP 40 -12.324 12.591 5.764 1074 HD1 TRP 40 HD1 TRP 40 -13.408 11.419 3.577 1075 HE1 TRP 40 HE1 TRP 40 -15.028 12.298 1.779 1076 HE3 TRP 40 HE3 TRP 40 -15.045 15.674 5.939 1077 HZ2 TRP 40 HZ2 TRP 40 -16.763 14.567 1.396 1078 HZ3 TRP 40 HZ3 TRP 40 -16.697 17.157 4.840 1079 HH2 TRP 40 HH2 TRP 40 -17.555 16.628 2.573 1080 H ARG 41 H ARG 41 -12.151 10.848 8.382 1081 HA ARG 41 HA ARG 41 -12.264 8.289 6.839 1082 HB2 ARG 41 HB2 ARG 41 -10.350 9.817 6.258 1083 HB3 ARG 41 HB3 ARG 41 -9.799 9.725 7.925 1084 HG2 ARG 41 HG2 ARG 41 -8.525 8.225 6.447 1085 HG3 ARG 41 HG3 ARG 41 -9.372 7.325 7.706 1086 HD2 ARG 41 HD2 ARG 41 -9.504 6.177 5.532 1087 HD3 ARG 41 HD3 ARG 41 -11.103 6.641 6.120 1088 HE ARG 41 HE ARG 41 -9.715 8.487 4.223 1089 HH11 ARG 41 HH11 ARG 41 -10.562 9.048 2.476 1090 HH12 ARG 41 HH12 ARG 41 -12.058 8.347 1.845 1091 HH21 ARG 41 HH21 ARG 41 -12.294 6.106 4.487 1092 HH22 ARG 41 HH22 ARG 41 -13.023 6.669 3.007 1093 H LYS 42 H LYS 42 -11.466 9.732 10.003 1094 HA LYS 42 HA LYS 42 -11.252 7.157 11.363 1095 HB2 LYS 42 HB2 LYS 42 -11.623 9.927 12.578 1096 HB3 LYS 42 HB3 LYS 42 -11.033 8.479 13.391 1097 HG2 LYS 42 HG2 LYS 42 -9.611 9.989 11.166 1098 HG3 LYS 42 HG3 LYS 42 -9.208 10.053 12.866 1099 HD2 LYS 42 HD2 LYS 42 -8.006 8.123 12.798 1100 HD3 LYS 42 HD3 LYS 42 -9.180 7.288 11.800 1101 HE2 LYS 42 HE2 LYS 42 -7.251 7.438 10.466 1102 HE3 LYS 42 HE3 LYS 42 -8.401 8.607 9.802 1103 HZ1 LYS 42 HZ1 LYS 42 -7.134 10.392 10.762 1104 HZ2 LYS 42 HZ2 LYS 42 -6.018 9.404 10.114 1105 HZ3 LYS 42 HZ3 LYS 42 -6.273 9.412 11.733 1106 H SER 43 H SER 43 -13.894 9.290 10.629 1107 HA SER 43 HA SER 43 -15.751 7.328 11.955 1108 HB2 SER 43 HB2 SER 43 -15.617 9.438 13.223 1109 HB3 SER 43 HB3 SER 43 -16.091 10.337 11.776 1110 HG SER 43 HG SER 43 -17.616 8.413 13.222 1111 H GLN 44 H GLN 44 -15.060 9.287 9.140 1112 HA GLN 44 HA GLN 44 -15.723 9.291 7.076 1113 HB2 GLN 44 HB2 GLN 44 -15.681 6.663 7.578 1114 HB3 GLN 44 HB3 GLN 44 -17.355 6.816 7.044 1115 HG2 GLN 44 HG2 GLN 44 -14.798 7.564 5.551 1116 HG3 GLN 44 HG3 GLN 44 -15.887 6.243 5.181 1117 HE21 GLN 44 HE21 GLN 44 -15.343 9.725 4.807 1118 HE22 GLN 44 HE22 GLN 44 -16.733 9.977 3.729 1119 H LYS 45 H LYS 45 -17.107 10.754 8.962 1120 HA LYS 45 HA LYS 45 -19.822 11.200 7.997 1121 HB2 LYS 45 HB2 LYS 45 -17.769 12.849 9.517 1122 HB3 LYS 45 HB3 LYS 45 -19.367 13.481 9.108 1123 HG2 LYS 45 HG2 LYS 45 -20.505 12.042 10.518 1124 HG3 LYS 45 HG3 LYS 45 -19.269 10.782 10.458 1125 HD2 LYS 45 HD2 LYS 45 -17.762 12.075 11.839 1126 HD3 LYS 45 HD3 LYS 45 -18.933 13.425 11.927 1127 HE2 LYS 45 HE2 LYS 45 -20.616 11.870 12.932 1128 HE3 LYS 45 HE3 LYS 45 -19.438 10.558 12.861 1129 HZ1 LYS 45 HZ1 LYS 45 -18.019 11.866 14.390 1130 HZ2 LYS 45 HZ2 LYS 45 -19.464 11.504 15.058 1131 HZ3 LYS 45 HZ3 LYS 45 -19.186 13.014 14.506 1132 H GLU 46 H GLU 46 -20.454 13.135 6.858 1133 HA GLU 46 HA GLU 46 -18.699 13.873 4.546 1134 HB2 GLU 46 HB2 GLU 46 -21.506 12.698 4.546 1135 HB3 GLU 46 HB3 GLU 46 -20.819 13.489 3.144 1136 HG2 GLU 46 HG2 GLU 46 -19.579 11.043 4.486 1137 HG3 GLU 46 HG3 GLU 46 -20.707 10.977 3.143 1138 H GLU 47 H GLU 47 -19.785 15.554 3.185 1139 HA GLU 47 HA GLU 47 -20.437 17.690 2.843 1140 HB2 GLU 47 HB2 GLU 47 -22.704 17.000 4.730 1141 HB3 GLU 47 HB3 GLU 47 -22.638 18.376 3.621 1142 HG2 GLU 47 HG2 GLU 47 -22.399 16.768 1.706 1143 HG3 GLU 47 HG3 GLU 47 -22.665 15.434 2.834 1144 H1 GLY 1 H1 GLY 1 -11.906 47.505 28.252 1145 H2 GLY 1 H2 GLY 1 -11.913 49.079 27.804 1146 H3 GLY 1 H3 GLY 1 -11.037 48.603 29.103 1147 HA2 GLY 1 HA2 GLY 1 -9.580 49.002 27.227 1148 HA3 GLY 1 HA3 GLY 1 -9.557 47.303 27.736 1149 H SER 2 H SER 2 -9.145 48.770 25.050 1150 HA SER 2 HA SER 2 -11.299 47.953 23.300 1151 HB2 SER 2 HB2 SER 2 -9.771 48.712 21.529 1152 HB3 SER 2 HB3 SER 2 -9.889 49.890 22.845 1153 HG SER 2 HG SER 2 -7.732 49.606 22.262 1154 H HIS 3 H HIS 3 -8.589 46.217 24.569 1155 HA HIS 3 HA HIS 3 -9.123 43.850 22.906 1156 HB2 HIS 3 HB2 HIS 3 -6.792 43.655 22.173 1157 HB3 HIS 3 HB3 HIS 3 -7.523 45.122 21.544 1158 HD1 HIS 3 HD1 HIS 3 -6.767 47.472 22.984 1159 HD2 HIS 3 HD2 HIS 3 -4.549 43.930 23.527 1160 HE1 HIS 3 HE1 HIS 3 -4.565 48.164 24.066 1161 H MET 4 H MET 4 -7.948 41.944 23.667 1162 HA MET 4 HA MET 4 -6.556 41.998 26.224 1163 HB2 MET 4 HB2 MET 4 -8.089 40.556 27.436 1164 HB3 MET 4 HB3 MET 4 -8.893 42.057 26.993 1165 HG2 MET 4 HG2 MET 4 -9.968 40.854 25.055 1166 HG3 MET 4 HG3 MET 4 -9.198 39.365 25.603 1167 HE1 MET 4 HE1 MET 4 -12.010 41.988 26.133 1168 HE2 MET 4 HE2 MET 4 -12.704 41.549 27.708 1169 HE3 MET 4 HE3 MET 4 -11.098 42.299 27.629 1170 H GLU 5 H GLU 5 -5.561 39.993 26.754 1171 HA GLU 5 HA GLU 5 -5.039 38.173 24.475 1172 HB2 GLU 5 HB2 GLU 5 -3.953 37.990 27.290 1173 HB3 GLU 5 HB3 GLU 5 -3.313 37.232 25.845 1174 HG2 GLU 5 HG2 GLU 5 -3.210 40.176 26.577 1175 HG3 GLU 5 HG3 GLU 5 -1.865 39.053 26.432 1176 H TYR 6 H TYR 6 -4.921 35.767 25.035 1177 HA TYR 6 HA TYR 6 -7.508 34.845 25.896 1178 HB2 TYR 6 HB2 TYR 6 -4.984 33.608 24.824 1179 HB3 TYR 6 HB3 TYR 6 -6.055 32.573 25.745 1180 HD1 TYR 6 HD1 TYR 6 -6.754 31.117 24.070 1181 HD2 TYR 6 HD2 TYR 6 -7.185 35.366 23.476 1182 HE1 TYR 6 HE1 TYR 6 -8.277 30.685 22.184 1183 HE2 TYR 6 HE2 TYR 6 -8.752 34.940 21.592 1184 HH TYR 6 HH TYR 6 -9.898 33.379 20.404 1185 H ASP 7 H ASP 7 -4.543 35.084 27.487 1186 HA ASP 7 HA ASP 7 -3.744 34.481 29.572 1187 HB2 ASP 7 HB2 ASP 7 -5.207 36.522 29.792 1188 HB3 ASP 7 HB3 ASP 7 -6.479 35.481 30.429 1189 H GLY 8 H GLY 8 -4.769 32.147 28.326 1190 HA2 GLY 8 HA2 GLY 8 -4.765 29.914 29.041 1191 HA3 GLY 8 HA3 GLY 8 -5.134 30.414 30.686 1192 H GLN 9 H GLN 9 -7.444 32.008 28.936 1193 HA GLN 9 HA GLN 9 -9.475 29.862 29.128 1194 HB2 GLN 9 HB2 GLN 9 -9.989 32.140 29.944 1195 HB3 GLN 9 HB3 GLN 9 -9.695 32.796 28.336 1196 HG2 GLN 9 HG2 GLN 9 -12.104 32.568 28.863 1197 HG3 GLN 9 HG3 GLN 9 -11.637 31.675 27.429 1198 HE21 GLN 9 HE21 GLN 9 -12.857 29.757 27.356 1199 HE22 GLN 9 HE22 GLN 9 -13.100 28.736 28.760 1200 H LEU 10 H LEU 10 -10.788 29.283 27.261 1201 HA LEU 10 HA LEU 10 -9.625 29.870 24.599 1202 HB2 LEU 10 HB2 LEU 10 -8.951 27.629 25.471 1203 HB3 LEU 10 HB3 LEU 10 -10.644 27.149 25.512 1204 HG LEU 10 HG LEU 10 -9.154 26.273 23.785 1205 HD11 LEU 10 HD11 LEU 10 -11.265 27.659 22.239 1206 HD12 LEU 10 HD12 LEU 10 -11.716 26.551 23.550 1207 HD13 LEU 10 HD13 LEU 10 -10.701 25.974 22.219 1208 HD21 LEU 10 HD21 LEU 10 -8.090 28.639 23.425 1209 HD22 LEU 10 HD22 LEU 10 -9.385 28.844 22.241 1210 HD23 LEU 10 HD23 LEU 10 -8.197 27.538 22.085 1211 H ASP 11 H ASP 11 -11.047 30.093 22.903 1212 HA ASP 11 HA ASP 11 -13.651 31.062 23.578 1213 HB2 ASP 11 HB2 ASP 11 -11.909 31.552 21.569 1214 HB3 ASP 11 HB3 ASP 11 -12.901 30.360 20.764 1215 H SER 12 H SER 12 -15.691 30.137 23.348 1216 HA SER 12 HA SER 12 -15.965 27.338 23.582 1217 HB2 SER 12 HB2 SER 12 -17.563 28.844 24.449 1218 HB3 SER 12 HB3 SER 12 -17.983 29.437 22.823 1219 HG SER 12 HG SER 12 -18.516 26.901 23.999 1220 H GLU 13 H GLU 13 -15.979 29.299 20.678 1221 HA GLU 13 HA GLU 13 -16.969 27.378 18.819 1222 HB2 GLU 13 HB2 GLU 13 -15.118 29.783 18.587 1223 HB3 GLU 13 HB3 GLU 13 -15.616 28.863 17.186 1224 HG2 GLU 13 HG2 GLU 13 -17.582 30.198 19.104 1225 HG3 GLU 13 HG3 GLU 13 -16.912 30.991 17.685 1226 H TRP 14 H TRP 14 -13.776 27.637 20.223 1227 HA TRP 14 HA TRP 14 -12.807 25.518 18.365 1228 HB2 TRP 14 HB2 TRP 14 -10.860 26.789 20.169 1229 HB3 TRP 14 HB3 TRP 14 -10.703 26.243 18.509 1230 HD1 TRP 14 HD1 TRP 14 -10.559 29.253 20.387 1231 HE1 TRP 14 HE1 TRP 14 -11.280 31.361 19.101 1232 HE3 TRP 14 HE3 TRP 14 -12.589 27.033 16.244 1233 HZ2 TRP 14 HZ2 TRP 14 -12.558 32.004 16.588 1234 HZ3 TRP 14 HZ3 TRP 14 -13.511 28.416 14.394 1235 HH2 TRP 14 HH2 TRP 14 -13.516 30.895 14.561 1236 H GLU 15 H GLU 15 -13.426 26.175 21.747 1237 HA GLU 15 HA GLU 15 -12.498 23.803 22.984 1238 HB2 GLU 15 HB2 GLU 15 -13.444 25.465 24.403 1239 HB3 GLU 15 HB3 GLU 15 -14.868 25.651 23.377 1240 HG2 GLU 15 HG2 GLU 15 -15.751 23.515 24.054 1241 HG3 GLU 15 HG3 GLU 15 -14.324 23.193 25.060 1242 H LYS 16 H LYS 16 -15.536 24.487 21.282 1243 HA LYS 16 HA LYS 16 -16.654 21.866 21.597 1244 HB2 LYS 16 HB2 LYS 16 -18.314 22.487 19.972 1245 HB3 LYS 16 HB3 LYS 16 -18.003 23.800 21.099 1246 HG2 LYS 16 HG2 LYS 16 -18.024 25.069 19.279 1247 HG3 LYS 16 HG3 LYS 16 -16.341 24.572 19.145 1248 HD2 LYS 16 HD2 LYS 16 -17.030 22.726 17.592 1249 HD3 LYS 16 HD3 LYS 16 -18.712 23.202 17.752 1250 HE2 LYS 16 HE2 LYS 16 -16.541 25.005 16.586 1251 HE3 LYS 16 HE3 LYS 16 -17.528 23.895 15.638 1252 HZ1 LYS 16 HZ1 LYS 16 -18.603 25.955 15.507 1253 HZ2 LYS 16 HZ2 LYS 16 -18.466 26.325 17.060 1254 HZ3 LYS 16 HZ3 LYS 16 -19.513 25.141 16.587 1255 H LEU 17 H LEU 17 -14.512 23.126 19.118 1256 HA LEU 17 HA LEU 17 -14.605 20.868 17.322 1257 HB2 LEU 17 HB2 LEU 17 -12.454 22.970 17.803 1258 HB3 LEU 17 HB3 LEU 17 -12.429 21.849 16.472 1259 HG LEU 17 HG LEU 17 -14.689 23.822 16.933 1260 HD11 LEU 17 HD11 LEU 17 -13.678 25.201 15.288 1261 HD12 LEU 17 HD12 LEU 17 -12.431 23.977 14.925 1262 HD13 LEU 17 HD13 LEU 17 -12.406 24.831 16.471 1263 HD21 LEU 17 HD21 LEU 17 -15.415 21.950 15.554 1264 HD22 LEU 17 HD22 LEU 17 -13.901 22.015 14.623 1265 HD23 LEU 17 HD23 LEU 17 -15.095 23.336 14.499 1266 H VAL 18 H VAL 18 -12.230 21.733 19.946 1267 HA VAL 18 HA VAL 18 -10.768 19.274 19.529 1268 HB VAL 18 HB VAL 18 -9.751 21.188 20.599 1269 HG11 VAL 18 HG11 VAL 18 -10.173 21.527 23.082 1270 HG12 VAL 18 HG12 VAL 18 -11.380 22.164 21.934 1271 HG13 VAL 18 HG13 VAL 18 -11.739 20.707 22.836 1272 HG21 VAL 18 HG21 VAL 18 -8.555 20.027 22.344 1273 HG22 VAL 18 HG22 VAL 18 -9.751 18.715 22.399 1274 HG23 VAL 18 HG23 VAL 18 -8.787 18.968 20.943 1275 H ARG 19 H ARG 19 -13.438 20.007 21.813 1276 HA ARG 19 HA ARG 19 -13.376 17.411 23.106 1277 HB2 ARG 19 HB2 ARG 19 -15.597 19.468 22.633 1278 HB3 ARG 19 HB3 ARG 19 -15.785 17.995 23.637 1279 HG2 ARG 19 HG2 ARG 19 -13.810 18.907 24.972 1280 HG3 ARG 19 HG3 ARG 19 -14.054 20.445 24.192 1281 HD2 ARG 19 HD2 ARG 19 -16.248 18.961 25.718 1282 HD3 ARG 19 HD3 ARG 19 -15.049 19.975 26.501 1283 HE ARG 19 HE ARG 19 -16.105 21.887 25.755 1284 HH11 ARG 19 HH11 ARG 19 -19.041 20.233 23.650 1285 HH12 ARG 19 HH12 ARG 19 -17.691 19.228 24.095 1286 HH21 ARG 19 HH21 ARG 19 -17.809 23.036 25.248 1287 HH22 ARG 19 HH22 ARG 19 -19.108 22.363 24.275 1288 H ASP 20 H ASP 20 -15.146 18.617 20.262 1289 HA ASP 20 HA ASP 20 -16.507 16.237 19.508 1290 HB2 ASP 20 HB2 ASP 20 -15.461 18.699 18.115 1291 HB3 ASP 20 HB3 ASP 20 -16.031 17.361 17.144 1292 H ALA 21 H ALA 21 -13.120 17.270 18.763 1293 HA ALA 21 HA ALA 21 -12.588 15.022 17.045 1294 HB1 ALA 21 HB1 ALA 21 -11.174 16.918 16.937 1295 HB2 ALA 21 HB2 ALA 21 -10.788 16.861 18.672 1296 HB3 ALA 21 HB3 ALA 21 -10.177 15.608 17.587 1297 H MET 22 H MET 22 -12.017 15.555 20.556 1298 HA MET 22 HA MET 22 -10.869 13.032 21.076 1299 HB2 MET 22 HB2 MET 22 -12.588 14.649 22.968 1300 HB3 MET 22 HB3 MET 22 -11.507 13.313 23.359 1301 HG2 MET 22 HG2 MET 22 -10.878 16.126 23.141 1302 HG3 MET 22 HG3 MET 22 -10.061 14.875 23.906 1303 HE1 MET 22 HE1 MET 22 -8.300 13.483 23.066 1304 HE2 MET 22 HE2 MET 22 -8.708 12.912 21.430 1305 HE3 MET 22 HE3 MET 22 -7.224 13.860 21.708 1306 H THR 23 H THR 23 -14.360 13.948 20.953 1307 HA THR 23 HA THR 23 -15.206 11.231 21.634 1308 HB THR 23 HB THR 23 -17.485 12.015 21.241 1309 HG1 THR 23 HG1 THR 23 -17.271 13.516 19.651 1310 HG21 THR 23 HG21 THR 23 -16.471 12.357 23.444 1311 HG22 THR 23 HG22 THR 23 -17.597 13.666 23.041 1312 HG23 THR 23 HG23 THR 23 -15.846 13.939 22.936 1313 H SER 24 H SER 24 -14.850 12.983 18.525 1314 HA SER 24 HA SER 24 -16.223 10.851 17.102 1315 HB2 SER 24 HB2 SER 24 -16.299 13.312 16.512 1316 HB3 SER 24 HB3 SER 24 -14.689 13.127 15.791 1317 HG SER 24 HG SER 24 -15.587 11.386 14.560 1318 H GLY 25 H GLY 25 -13.377 10.569 18.517 1319 HA2 GLY 25 HA2 GLY 25 -11.693 9.017 18.297 1320 HA3 GLY 25 HA3 GLY 25 -12.517 8.362 16.878 1321 H VAL 26 H VAL 26 -11.630 11.732 16.880 1322 HA VAL 26 HA VAL 26 -10.017 11.511 14.489 1323 HB VAL 26 HB VAL 26 -10.673 13.726 16.409 1324 HG11 VAL 26 HG11 VAL 26 -8.796 13.949 14.103 1325 HG12 VAL 26 HG12 VAL 26 -9.822 15.311 14.609 1326 HG13 VAL 26 HG13 VAL 26 -8.653 14.591 15.738 1327 HG21 VAL 26 HG21 VAL 26 -12.479 12.917 14.921 1328 HG22 VAL 26 HG22 VAL 26 -11.997 14.552 14.471 1329 HG23 VAL 26 HG23 VAL 26 -11.439 13.171 13.511 1330 H SER 27 H SER 27 -7.842 11.690 14.197 1331 HA SER 27 HA SER 27 -6.182 10.369 16.015 1332 HB2 SER 27 HB2 SER 27 -5.469 12.155 13.691 1333 HB3 SER 27 HB3 SER 27 -4.298 11.141 14.556 1334 HG SER 27 HG SER 27 -5.473 9.316 13.953 1335 H LYS 28 H LYS 28 -5.568 11.041 17.992 1336 HA LYS 28 HA LYS 28 -5.700 13.715 18.832 1337 HB2 LYS 28 HB2 LYS 28 -4.783 12.971 20.936 1338 HB3 LYS 28 HB3 LYS 28 -5.946 11.807 20.314 1339 HG2 LYS 28 HG2 LYS 28 -4.007 10.389 19.497 1340 HG3 LYS 28 HG3 LYS 28 -2.906 11.533 20.293 1341 HD2 LYS 28 HD2 LYS 28 -4.007 11.047 22.481 1342 HD3 LYS 28 HD3 LYS 28 -5.141 9.973 21.667 1343 HE2 LYS 28 HE2 LYS 28 -3.531 8.575 22.680 1344 HE3 LYS 28 HE3 LYS 28 -3.224 8.527 20.942 1345 HZ1 LYS 28 HZ1 LYS 28 -1.171 8.773 22.221 1346 HZ2 LYS 28 HZ2 LYS 28 -1.697 10.147 22.919 1347 HZ3 LYS 28 HZ3 LYS 28 -1.385 10.108 21.310 1348 H LYS 29 H LYS 29 -2.908 12.128 17.353 1349 HA LYS 29 HA LYS 29 -1.003 14.208 18.023 1350 HB2 LYS 29 HB2 LYS 29 0.382 13.151 16.354 1351 HB3 LYS 29 HB3 LYS 29 -0.345 11.934 17.410 1352 HG2 LYS 29 HG2 LYS 29 -2.156 12.091 15.278 1353 HG3 LYS 29 HG3 LYS 29 -0.619 12.428 14.494 1354 HD2 LYS 29 HD2 LYS 29 -1.294 10.015 16.237 1355 HD3 LYS 29 HD3 LYS 29 -1.249 10.014 14.465 1356 HE2 LYS 29 HE2 LYS 29 1.171 10.586 14.509 1357 HE3 LYS 29 HE3 LYS 29 1.148 10.578 16.277 1358 HZ1 LYS 29 HZ1 LYS 29 0.562 8.223 14.558 1359 HZ2 LYS 29 HZ2 LYS 29 0.535 8.217 16.192 1360 HZ3 LYS 29 HZ3 LYS 29 1.939 8.460 15.400 1361 H GLN 30 H GLN 30 -3.424 13.849 15.453 1362 HA GLN 30 HA GLN 30 -2.259 15.715 13.638 1363 HB2 GLN 30 HB2 GLN 30 -5.117 14.724 13.986 1364 HB3 GLN 30 HB3 GLN 30 -4.674 15.892 12.775 1365 HG2 GLN 30 HG2 GLN 30 -3.420 13.121 13.039 1366 HG3 GLN 30 HG3 GLN 30 -4.711 13.539 11.921 1367 HE21 GLN 30 HE21 GLN 30 -1.724 12.678 11.561 1368 HE22 GLN 30 HE22 GLN 30 -1.133 13.896 10.440 1369 H PHE 31 H PHE 31 -4.146 16.237 16.528 1370 HA PHE 31 HA PHE 31 -4.780 19.016 16.100 1371 HB2 PHE 31 HB2 PHE 31 -4.679 17.190 18.415 1372 HB3 PHE 31 HB3 PHE 31 -4.172 18.834 18.795 1373 HD1 PHE 31 HD1 PHE 31 -6.905 17.014 16.958 1374 HD2 PHE 31 HD2 PHE 31 -5.742 20.551 19.151 1375 HE1 PHE 31 HE1 PHE 31 -9.167 17.931 16.698 1376 HE2 PHE 31 HE2 PHE 31 -8.070 21.396 18.988 1377 HZ PHE 31 HZ PHE 31 -9.746 20.164 17.655 1378 H ARG 32 H ARG 32 -1.881 17.646 17.702 1379 HA ARG 32 HA ARG 32 -0.456 20.153 17.674 1380 HB2 ARG 32 HB2 ARG 32 0.091 18.290 19.237 1381 HB3 ARG 32 HB3 ARG 32 0.479 17.253 17.869 1382 HG2 ARG 32 HG2 ARG 32 2.550 18.036 18.822 1383 HG3 ARG 32 HG3 ARG 32 2.358 18.792 17.260 1384 HD2 ARG 32 HD2 ARG 32 1.235 20.753 18.760 1385 HD3 ARG 32 HD3 ARG 32 2.218 20.003 20.006 1386 HE ARG 32 HE ARG 32 3.565 20.682 17.423 1387 HH11 ARG 32 HH11 ARG 32 2.963 21.845 20.721 1388 HH12 ARG 32 HH12 ARG 32 4.192 23.075 20.548 1389 HH21 ARG 32 HH21 ARG 32 4.861 22.421 17.308 1390 HH22 ARG 32 HH22 ARG 32 5.173 23.421 18.707 1391 H GLU 33 H GLU 33 -0.262 17.351 15.476 1392 HA GLU 33 HA GLU 33 1.798 18.528 13.902 1393 HB2 GLU 33 HB2 GLU 33 -0.223 16.445 13.025 1394 HB3 GLU 33 HB3 GLU 33 1.305 16.823 12.250 1395 HG2 GLU 33 HG2 GLU 33 0.843 15.319 14.774 1396 HG3 GLU 33 HG3 GLU 33 1.789 14.872 13.372 1397 H PHE 34 H PHE 34 -1.770 18.840 13.468 1398 HA PHE 34 HA PHE 34 -1.471 20.438 11.079 1399 HB2 PHE 34 HB2 PHE 34 -3.553 19.149 11.920 1400 HB3 PHE 34 HB3 PHE 34 -3.875 20.573 12.907 1401 HD1 PHE 34 HD1 PHE 34 -3.924 22.909 11.557 1402 HD2 PHE 34 HD2 PHE 34 -4.169 18.999 9.712 1403 HE1 PHE 34 HE1 PHE 34 -4.685 23.915 9.440 1404 HE2 PHE 34 HE2 PHE 34 -5.040 20.032 7.631 1405 HZ PHE 34 HZ PHE 34 -5.282 22.504 7.486 1406 H LEU 35 H LEU 35 -1.676 21.175 14.583 1407 HA LEU 35 HA LEU 35 -1.706 23.998 14.470 1408 HB2 LEU 35 HB2 LEU 35 -1.463 22.115 16.465 1409 HB3 LEU 35 HB3 LEU 35 0.177 22.689 16.403 1410 HG LEU 35 HG LEU 35 -2.364 24.182 17.123 1411 HD11 LEU 35 HD11 LEU 35 0.313 23.682 18.494 1412 HD12 LEU 35 HD12 LEU 35 -1.214 22.817 18.797 1413 HD13 LEU 35 HD13 LEU 35 -1.087 24.531 19.170 1414 HD21 LEU 35 HD21 LEU 35 0.393 25.310 16.544 1415 HD22 LEU 35 HD22 LEU 35 -0.846 26.175 17.477 1416 HD23 LEU 35 HD23 LEU 35 -1.129 25.790 15.774 1417 H ASP 36 H ASP 36 1.099 21.771 14.404 1418 HA ASP 36 HA ASP 36 3.133 23.705 13.892 1419 HB2 ASP 36 HB2 ASP 36 2.941 20.707 13.392 1420 HB3 ASP 36 HB3 ASP 36 4.380 21.644 13.000 1421 H TYR 37 H TYR 37 1.264 21.699 11.551 1422 HA TYR 37 HA TYR 37 2.426 22.554 9.163 1423 HB2 TYR 37 HB2 TYR 37 0.790 20.765 9.326 1424 HB3 TYR 37 HB3 TYR 37 -0.431 21.882 9.875 1425 HD1 TYR 37 HD1 TYR 37 1.659 22.804 6.925 1426 HD2 TYR 37 HD2 TYR 37 -2.029 21.064 8.336 1427 HE1 TYR 37 HE1 TYR 37 0.706 22.947 4.655 1428 HE2 TYR 37 HE2 TYR 37 -2.982 21.234 6.039 1429 HH TYR 37 HH TYR 37 -1.066 22.514 3.290 1430 H GLN 38 H GLN 38 -0.298 24.199 10.913 1431 HA GLN 38 HA GLN 38 -0.241 26.437 9.021 1432 HB2 GLN 38 HB2 GLN 38 -1.590 26.128 11.726 1433 HB3 GLN 38 HB3 GLN 38 -1.779 27.535 10.692 1434 HG2 GLN 38 HG2 GLN 38 -2.616 24.681 10.101 1435 HG3 GLN 38 HG3 GLN 38 -3.678 26.086 10.297 1436 HE21 GLN 38 HE21 GLN 38 -2.828 24.048 7.932 1437 HE22 GLN 38 HE22 GLN 38 -2.743 25.179 6.598 1438 H LYS 39 H LYS 39 1.010 26.079 12.408 1439 HA LYS 39 HA LYS 39 1.963 28.726 12.689 1440 HB2 LYS 39 HB2 LYS 39 2.820 26.056 13.806 1441 HB3 LYS 39 HB3 LYS 39 3.885 27.434 14.007 1442 HG2 LYS 39 HG2 LYS 39 2.161 28.727 15.157 1443 HG3 LYS 39 HG3 LYS 39 0.985 27.407 15.001 1444 HD2 LYS 39 HD2 LYS 39 2.443 25.906 16.288 1445 HD3 LYS 39 HD3 LYS 39 3.751 27.094 16.275 1446 HE2 LYS 39 HE2 LYS 39 2.371 28.645 17.606 1447 HE3 LYS 39 HE3 LYS 39 1.094 27.416 17.716 1448 HZ1 LYS 39 HZ1 LYS 39 3.910 27.066 18.651 1449 HZ2 LYS 39 HZ2 LYS 39 2.718 25.979 18.864 1450 HZ3 LYS 39 HZ3 LYS 39 2.658 27.416 19.653 1451 H TRP 40 H TRP 40 3.499 26.031 10.960 1452 HA TRP 40 HA TRP 40 6.041 26.921 10.468 1453 HB2 TRP 40 HB2 TRP 40 4.539 24.808 9.625 1454 HB3 TRP 40 HB3 TRP 40 4.596 25.696 8.134 1455 HD1 TRP 40 HD1 TRP 40 7.087 26.052 7.085 1456 HE1 TRP 40 HE1 TRP 40 9.293 24.759 7.382 1457 HE3 TRP 40 HE3 TRP 40 5.830 23.165 11.154 1458 HZ2 TRP 40 HZ2 TRP 40 10.416 22.872 9.235 1459 HZ3 TRP 40 HZ3 TRP 40 7.516 21.682 12.194 1460 HH2 TRP 40 HH2 TRP 40 9.817 21.544 11.266 1461 H ARG 41 H ARG 41 3.167 28.265 9.000 1462 HA ARG 41 HA ARG 41 4.809 30.128 7.345 1463 HB2 ARG 41 HB2 ARG 41 3.532 28.273 6.096 1464 HB3 ARG 41 HB3 ARG 41 2.049 29.027 6.665 1465 HG2 ARG 41 HG2 ARG 41 2.487 29.761 4.410 1466 HG3 ARG 41 HG3 ARG 41 2.684 31.137 5.491 1467 HD2 ARG 41 HD2 ARG 41 4.444 31.123 3.790 1468 HD3 ARG 41 HD3 ARG 41 5.150 30.878 5.388 1469 HE ARG 41 HE ARG 41 4.521 28.596 3.525 1470 HH11 ARG 41 HH11 ARG 41 7.081 30.260 5.262 1471 HH12 ARG 41 HH12 ARG 41 8.142 28.883 5.152 1472 HH21 ARG 41 HH21 ARG 41 5.772 26.891 3.616 1473 HH22 ARG 41 HH22 ARG 41 7.450 27.010 4.129 1474 H LYS 42 H LYS 42 1.805 29.730 9.232 1475 HA LYS 42 HA LYS 42 1.017 32.517 9.137 1476 HB2 LYS 42 HB2 LYS 42 0.331 30.383 11.216 1477 HB3 LYS 42 HB3 LYS 42 -0.515 31.908 10.986 1478 HG2 LYS 42 HG2 LYS 42 -0.386 29.643 8.960 1479 HG3 LYS 42 HG3 LYS 42 -1.739 29.979 10.013 1480 HD2 LYS 42 HD2 LYS 42 -2.545 31.647 8.685 1481 HD3 LYS 42 HD3 LYS 42 -0.955 32.330 8.383 1482 HE2 LYS 42 HE2 LYS 42 -1.601 31.545 6.286 1483 HE3 LYS 42 HE3 LYS 42 -0.445 30.346 6.894 1484 HZ1 LYS 42 HZ1 LYS 42 -3.408 30.022 7.154 1485 HZ2 LYS 42 HZ2 LYS 42 -2.294 28.868 7.404 1486 HZ3 LYS 42 HZ3 LYS 42 -2.561 29.411 5.890 1487 H SER 43 H SER 43 3.362 30.872 11.019 1488 HA SER 43 HA SER 43 4.070 33.483 12.323 1489 HB2 SER 43 HB2 SER 43 4.402 32.529 14.448 1490 HB3 SER 43 HB3 SER 43 2.809 31.966 13.919 1491 HG SER 43 HG SER 43 3.841 29.996 13.266 1492 H GLN 44 H GLN 44 5.201 30.331 11.168 1493 HA GLN 44 HA GLN 44 7.139 29.514 10.584 1494 HB2 GLN 44 HB2 GLN 44 7.194 32.042 9.544 1495 HB3 GLN 44 HB3 GLN 44 8.707 32.033 10.444 1496 HG2 GLN 44 HG2 GLN 44 7.813 30.314 8.111 1497 HG3 GLN 44 HG3 GLN 44 9.158 31.426 8.181 1498 HE21 GLN 44 HE21 GLN 44 8.124 28.136 8.790 1499 HE22 GLN 44 HE22 GLN 44 9.731 27.541 9.275 1500 H LYS 45 H LYS 45 6.543 30.202 13.562 1501 HA LYS 45 HA LYS 45 9.125 30.269 14.869 1502 HB2 LYS 45 HB2 LYS 45 6.406 29.189 15.691 1503 HB3 LYS 45 HB3 LYS 45 7.769 29.360 16.797 1504 HG2 LYS 45 HG2 LYS 45 7.715 31.716 16.769 1505 HG3 LYS 45 HG3 LYS 45 6.764 31.789 15.266 1506 HD2 LYS 45 HD2 LYS 45 4.874 30.742 16.341 1507 HD3 LYS 45 HD3 LYS 45 5.749 30.620 17.885 1508 HE2 LYS 45 HE2 LYS 45 5.938 33.115 17.947 1509 HE3 LYS 45 HE3 LYS 45 5.030 33.207 16.431 1510 HZ1 LYS 45 HZ1 LYS 45 3.518 33.509 18.266 1511 HZ2 LYS 45 HZ2 LYS 45 4.014 32.139 19.007 1512 HZ3 LYS 45 HZ3 LYS 45 3.192 32.038 17.597 1513 H GLU 46 H GLU 46 7.180 27.649 13.567 1514 HA GLU 46 HA GLU 46 7.374 25.389 13.482 1515 HB2 GLU 46 HB2 GLU 46 10.364 25.772 13.758 1516 HB3 GLU 46 HB3 GLU 46 9.513 24.382 13.072 1517 HG2 GLU 46 HG2 GLU 46 8.641 25.793 11.243 1518 HG3 GLU 46 HG3 GLU 46 9.463 27.201 11.908 1519 H GLU 47 H GLU 47 6.995 26.669 16.097 1520 HA GLU 47 HA GLU 47 7.511 24.426 17.946 1521 HB2 GLU 47 HB2 GLU 47 9.547 25.789 18.100 1522 HB3 GLU 47 HB3 GLU 47 8.588 27.246 18.325 1523 HG2 GLU 47 HG2 GLU 47 9.539 26.542 20.430 1524 HG3 GLU 47 HG3 GLU 47 7.789 26.463 20.499 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 17.045 -7.281 -6.083 2 H2 GLY 1 H2 GLY 1 15.960 -8.343 -5.471 3 H3 GLY 1 H3 GLY 1 17.437 -8.870 -5.951 4 HA2 GLY 1 HA2 GLY 1 17.324 -8.758 -3.541 5 HA3 GLY 1 HA3 GLY 1 18.527 -7.638 -4.209 6 H SER 2 H SER 2 18.422 -6.160 -2.491 7 HA SER 2 HA SER 2 15.914 -4.832 -1.748 8 HB2 SER 2 HB2 SER 2 18.800 -4.103 -1.124 9 HB3 SER 2 HB3 SER 2 17.351 -3.379 -0.398 10 HG SER 2 HG SER 2 18.250 -5.044 0.913 11 H HIS 3 H HIS 3 15.032 -3.103 -2.712 12 HA HIS 3 HA HIS 3 16.631 -1.289 -4.440 13 HB2 HIS 3 HB2 HIS 3 14.042 -2.622 -5.319 14 HB3 HIS 3 HB3 HIS 3 14.949 -1.415 -6.223 15 HD1 HIS 3 HD1 HIS 3 17.612 -2.349 -6.887 16 HD2 HIS 3 HD2 HIS 3 14.616 -5.111 -5.841 17 HE1 HIS 3 HE1 HIS 3 18.436 -4.623 -7.680 18 H MET 4 H MET 4 15.647 0.735 -4.863 19 HA MET 4 HA MET 4 14.250 1.863 -2.585 20 HB2 MET 4 HB2 MET 4 15.020 3.041 -5.280 21 HB3 MET 4 HB3 MET 4 14.389 3.971 -3.913 22 HG2 MET 4 HG2 MET 4 16.301 3.306 -2.529 23 HG3 MET 4 HG3 MET 4 16.967 2.348 -3.850 24 HE1 MET 4 HE1 MET 4 18.206 4.961 -6.423 25 HE2 MET 4 HE2 MET 4 18.041 3.245 -5.991 26 HE3 MET 4 HE3 MET 4 16.610 4.188 -6.466 27 H GLU 5 H GLU 5 12.274 2.969 -2.542 28 HA GLU 5 HA GLU 5 10.059 1.817 -3.979 29 HB2 GLU 5 HB2 GLU 5 10.197 4.302 -2.206 30 HB3 GLU 5 HB3 GLU 5 8.739 3.487 -2.738 31 HG2 GLU 5 HG2 GLU 5 8.998 2.728 -0.574 32 HG3 GLU 5 HG3 GLU 5 9.544 1.386 -1.571 33 H TYR 6 H TYR 6 12.215 4.139 -5.037 34 HA TYR 6 HA TYR 6 10.434 5.112 -7.185 35 HB2 TYR 6 HB2 TYR 6 10.329 6.693 -5.179 36 HB3 TYR 6 HB3 TYR 6 12.034 7.022 -5.435 37 HD1 TYR 6 HD1 TYR 6 12.771 8.344 -7.428 38 HD2 TYR 6 HD2 TYR 6 8.611 7.485 -6.683 39 HE1 TYR 6 HE1 TYR 6 12.101 10.047 -9.121 40 HE2 TYR 6 HE2 TYR 6 7.944 9.336 -8.194 41 HH TYR 6 HH TYR 6 8.747 10.495 -10.103 42 H ASP 7 H ASP 7 11.544 5.661 -9.071 43 HA ASP 7 HA ASP 7 14.495 5.456 -9.160 44 HB2 ASP 7 HB2 ASP 7 13.576 3.131 -9.201 45 HB3 ASP 7 HB3 ASP 7 12.695 3.526 -10.675 46 H GLY 8 H GLY 8 13.490 7.781 -9.595 47 HA2 GLY 8 HA2 GLY 8 13.585 9.545 -11.066 48 HA3 GLY 8 HA3 GLY 8 14.255 8.442 -12.268 49 H GLN 9 H GLN 9 11.117 7.646 -11.023 50 HA GLN 9 HA GLN 9 9.647 8.808 -13.328 51 HB2 GLN 9 HB2 GLN 9 10.506 6.652 -14.103 52 HB3 GLN 9 HB3 GLN 9 9.940 5.858 -12.632 53 HG2 GLN 9 HG2 GLN 9 8.464 5.388 -14.568 54 HG3 GLN 9 HG3 GLN 9 7.609 6.176 -13.256 55 HE21 GLN 9 HE21 GLN 9 6.132 7.681 -14.034 56 HE22 GLN 9 HE22 GLN 9 6.410 8.658 -15.472 57 H LEU 10 H LEU 10 7.706 9.578 -12.667 58 HA LEU 10 HA LEU 10 6.767 9.028 -9.988 59 HB2 LEU 10 HB2 LEU 10 6.543 11.205 -11.364 60 HB3 LEU 10 HB3 LEU 10 5.138 10.454 -12.120 61 HG LEU 10 HG LEU 10 4.763 12.104 -10.321 62 HD11 LEU 10 HD11 LEU 10 3.176 10.142 -10.797 63 HD12 LEU 10 HD12 LEU 10 2.969 11.158 -9.362 64 HD13 LEU 10 HD13 LEU 10 3.709 9.542 -9.216 65 HD21 LEU 10 HD21 LEU 10 5.578 10.173 -8.185 66 HD22 LEU 10 HD22 LEU 10 5.682 11.951 -8.248 67 HD23 LEU 10 HD23 LEU 10 6.859 11.009 -9.072 68 H ASP 11 H ASP 11 5.363 7.683 -9.256 69 HA ASP 11 HA ASP 11 4.377 5.495 -10.833 70 HB2 ASP 11 HB2 ASP 11 4.974 5.841 -8.228 71 HB3 ASP 11 HB3 ASP 11 3.276 6.230 -8.142 72 H SER 12 H SER 12 2.426 5.283 -11.846 73 HA SER 12 HA SER 12 0.893 7.532 -12.544 74 HB2 SER 12 HB2 SER 12 -0.067 4.672 -12.535 75 HB3 SER 12 HB3 SER 12 -0.680 6.022 -13.528 76 HG SER 12 HG SER 12 0.793 4.676 -14.688 77 H GLU 13 H GLU 13 0.525 5.493 -9.779 78 HA GLU 13 HA GLU 13 -2.119 6.170 -8.932 79 HB2 GLU 13 HB2 GLU 13 0.394 5.236 -7.493 80 HB3 GLU 13 HB3 GLU 13 -1.129 5.453 -6.662 81 HG2 GLU 13 HG2 GLU 13 -0.781 3.594 -9.059 82 HG3 GLU 13 HG3 GLU 13 -0.533 3.088 -7.392 83 H TRP 14 H TRP 14 0.910 7.946 -8.579 84 HA TRP 14 HA TRP 14 -0.451 9.889 -6.794 85 HB2 TRP 14 HB2 TRP 14 2.403 10.242 -7.493 86 HB3 TRP 14 HB3 TRP 14 1.532 10.616 -6.013 87 HD1 TRP 14 HD1 TRP 14 4.153 8.524 -7.077 88 HE1 TRP 14 HE1 TRP 14 4.308 6.260 -5.840 89 HE3 TRP 14 HE3 TRP 14 -0.336 8.596 -4.629 90 HZ2 TRP 14 HZ2 TRP 14 2.675 4.671 -4.078 91 HZ3 TRP 14 HZ3 TRP 14 -1.014 6.709 -3.158 92 HH2 TRP 14 HH2 TRP 14 0.470 4.733 -2.894 93 H GLU 15 H GLU 15 0.957 9.657 -9.993 94 HA GLU 15 HA GLU 15 0.746 12.316 -10.962 95 HB2 GLU 15 HB2 GLU 15 1.766 10.770 -12.389 96 HB3 GLU 15 HB3 GLU 15 0.511 9.554 -12.130 97 HG2 GLU 15 HG2 GLU 15 -1.066 10.781 -13.513 98 HG3 GLU 15 HG3 GLU 15 0.127 12.065 -13.781 99 H LYS 16 H LYS 16 -1.693 9.729 -10.812 100 HA LYS 16 HA LYS 16 -3.806 11.303 -11.946 101 HB2 LYS 16 HB2 LYS 16 -5.302 9.533 -11.315 102 HB3 LYS 16 HB3 LYS 16 -3.804 8.888 -11.969 103 HG2 LYS 16 HG2 LYS 16 -3.985 7.465 -10.254 104 HG3 LYS 16 HG3 LYS 16 -3.127 8.747 -9.408 105 HD2 LYS 16 HD2 LYS 16 -5.320 9.624 -8.556 106 HD3 LYS 16 HD3 LYS 16 -6.178 8.376 -9.442 107 HE2 LYS 16 HE2 LYS 16 -4.180 7.815 -7.201 108 HE3 LYS 16 HE3 LYS 16 -5.913 8.026 -6.965 109 HZ1 LYS 16 HZ1 LYS 16 -6.171 6.124 -8.623 110 HZ2 LYS 16 HZ2 LYS 16 -5.602 5.734 -7.146 111 HZ3 LYS 16 HZ3 LYS 16 -4.574 5.789 -8.373 112 H LEU 17 H LEU 17 -2.666 11.116 -8.640 113 HA LEU 17 HA LEU 17 -4.960 12.432 -7.417 114 HB2 LEU 17 HB2 LEU 17 -2.083 12.130 -6.468 115 HB3 LEU 17 HB3 LEU 17 -3.384 12.704 -5.461 116 HG LEU 17 HG LEU 17 -3.453 9.963 -6.757 117 HD11 LEU 17 HD11 LEU 17 -2.720 10.489 -3.873 118 HD12 LEU 17 HD12 LEU 17 -1.467 10.446 -5.136 119 HD13 LEU 17 HD13 LEU 17 -2.506 9.029 -4.856 120 HD21 LEU 17 HD21 LEU 17 -5.631 10.760 -5.994 121 HD22 LEU 17 HD22 LEU 17 -4.910 11.187 -4.421 122 HD23 LEU 17 HD23 LEU 17 -5.019 9.481 -4.924 123 H VAL 18 H VAL 18 -1.656 13.569 -8.348 124 HA VAL 18 HA VAL 18 -2.261 16.313 -7.644 125 HB VAL 18 HB VAL 18 0.014 15.558 -7.749 126 HG11 VAL 18 HG11 VAL 18 1.151 15.220 -9.950 127 HG12 VAL 18 HG12 VAL 18 -0.051 13.963 -9.561 128 HG13 VAL 18 HG13 VAL 18 -0.447 15.216 -10.726 129 HG21 VAL 18 HG21 VAL 18 1.023 17.368 -8.951 130 HG22 VAL 18 HG22 VAL 18 -0.415 17.607 -9.957 131 HG23 VAL 18 HG23 VAL 18 -0.482 17.967 -8.215 132 H ARG 19 H ARG 19 -2.445 14.649 -10.838 133 HA ARG 19 HA ARG 19 -3.439 16.834 -12.317 134 HB2 ARG 19 HB2 ARG 19 -2.477 14.604 -13.076 135 HB3 ARG 19 HB3 ARG 19 -4.052 13.873 -12.720 136 HG2 ARG 19 HG2 ARG 19 -5.109 15.280 -14.436 137 HG3 ARG 19 HG3 ARG 19 -3.616 16.231 -14.581 138 HD2 ARG 19 HD2 ARG 19 -3.807 14.739 -16.461 139 HD3 ARG 19 HD3 ARG 19 -2.392 14.375 -15.479 140 HE ARG 19 HE ARG 19 -4.861 12.796 -14.958 141 HH11 ARG 19 HH11 ARG 19 -4.526 10.580 -14.694 142 HH12 ARG 19 HH12 ARG 19 -3.050 9.875 -15.301 143 HH21 ARG 19 HH21 ARG 19 -1.786 12.712 -16.648 144 HH22 ARG 19 HH22 ARG 19 -1.485 11.042 -16.174 145 H ASP 20 H ASP 20 -5.297 14.376 -10.485 146 HA ASP 20 HA ASP 20 -7.907 15.386 -10.955 147 HB2 ASP 20 HB2 ASP 20 -6.477 13.841 -8.822 148 HB3 ASP 20 HB3 ASP 20 -7.966 14.628 -8.326 149 H ALA 21 H ALA 21 -5.501 16.403 -8.430 150 HA ALA 21 HA ALA 21 -7.267 18.311 -7.229 151 HB1 ALA 21 HB1 ALA 21 -5.244 17.467 -6.138 152 HB2 ALA 21 HB2 ALA 21 -4.224 18.290 -7.351 153 HB3 ALA 21 HB3 ALA 21 -5.214 19.240 -6.239 154 H MET 22 H MET 22 -4.832 18.690 -9.841 155 HA MET 22 HA MET 22 -5.199 21.456 -10.239 156 HB2 MET 22 HB2 MET 22 -4.463 19.358 -12.292 157 HB3 MET 22 HB3 MET 22 -4.348 21.103 -12.496 158 HG2 MET 22 HG2 MET 22 -2.467 19.287 -11.165 159 HG3 MET 22 HG3 MET 22 -2.232 20.787 -11.932 160 HE1 MET 22 HE1 MET 22 -2.466 22.861 -11.248 161 HE2 MET 22 HE2 MET 22 -3.742 23.173 -10.052 162 HE3 MET 22 HE3 MET 22 -2.021 23.439 -9.631 163 H THR 23 H THR 23 -6.980 18.713 -11.807 164 HA THR 23 HA THR 23 -8.588 20.549 -13.405 165 HB THR 23 HB THR 23 -9.761 18.559 -14.199 166 HG1 THR 23 HG1 THR 23 -9.761 17.184 -12.501 167 HG21 THR 23 HG21 THR 23 -7.890 17.475 -15.326 168 HG22 THR 23 HG22 THR 23 -6.737 18.198 -14.186 169 HG23 THR 23 HG23 THR 23 -7.665 19.234 -15.288 170 H SER 24 H SER 24 -9.161 18.833 -10.337 171 HA SER 24 HA SER 24 -12.011 19.467 -10.419 172 HB2 SER 24 HB2 SER 24 -10.966 17.343 -9.487 173 HB3 SER 24 HB3 SER 24 -10.580 18.304 -8.046 174 HG SER 24 HG SER 24 -12.813 18.854 -7.946 175 H GLY 25 H GLY 25 -9.571 21.526 -9.896 176 HA2 GLY 25 HA2 GLY 25 -9.706 23.734 -9.243 177 HA3 GLY 25 HA3 GLY 25 -11.325 23.447 -8.602 178 H VAL 26 H VAL 26 -8.730 21.453 -7.396 179 HA VAL 26 HA VAL 26 -9.075 22.346 -4.641 180 HB VAL 26 HB VAL 26 -7.366 20.327 -6.056 181 HG11 VAL 26 HG11 VAL 26 -5.799 20.892 -4.426 182 HG12 VAL 26 HG12 VAL 26 -7.027 21.063 -3.171 183 HG13 VAL 26 HG13 VAL 26 -6.650 19.457 -3.833 184 HG21 VAL 26 HG21 VAL 26 -9.669 19.742 -5.737 185 HG22 VAL 26 HG22 VAL 26 -8.723 18.820 -4.559 186 HG23 VAL 26 HG23 VAL 26 -9.622 20.254 -4.044 187 H SER 27 H SER 27 -7.600 23.327 -3.280 188 HA SER 27 HA SER 27 -6.135 25.514 -4.313 189 HB2 SER 27 HB2 SER 27 -6.111 24.236 -1.571 190 HB3 SER 27 HB3 SER 27 -5.315 25.769 -1.976 191 HG SER 27 HG SER 27 -7.310 26.628 -2.569 192 H LYS 28 H LYS 28 -4.573 24.968 -5.740 193 HA LYS 28 HA LYS 28 -2.579 23.008 -5.548 194 HB2 LYS 28 HB2 LYS 28 -1.461 24.219 -7.349 195 HB3 LYS 28 HB3 LYS 28 -3.203 24.132 -7.595 196 HG2 LYS 28 HG2 LYS 28 -3.363 26.515 -6.672 197 HG3 LYS 28 HG3 LYS 28 -1.590 26.560 -6.704 198 HD2 LYS 28 HD2 LYS 28 -1.635 26.153 -9.158 199 HD3 LYS 28 HD3 LYS 28 -3.389 25.988 -9.103 200 HE2 LYS 28 HE2 LYS 28 -2.957 28.166 -9.930 201 HE3 LYS 28 HE3 LYS 28 -3.577 28.348 -8.288 202 HZ1 LYS 28 HZ1 LYS 28 -1.262 28.688 -7.545 203 HZ2 LYS 28 HZ2 LYS 28 -1.658 29.779 -8.688 204 HZ3 LYS 28 HZ3 LYS 28 -0.710 28.515 -9.079 205 H LYS 29 H LYS 29 -2.548 26.202 -4.051 206 HA LYS 29 HA LYS 29 0.173 26.219 -3.160 207 HB2 LYS 29 HB2 LYS 29 -0.616 27.838 -1.501 208 HB3 LYS 29 HB3 LYS 29 -1.225 28.183 -3.122 209 HG2 LYS 29 HG2 LYS 29 -3.284 26.635 -2.077 210 HG3 LYS 29 HG3 LYS 29 -2.695 27.432 -0.629 211 HD2 LYS 29 HD2 LYS 29 -3.570 28.775 -3.220 212 HD3 LYS 29 HD3 LYS 29 -4.545 28.653 -1.745 213 HE2 LYS 29 HE2 LYS 29 -2.838 29.974 -0.498 214 HE3 LYS 29 HE3 LYS 29 -1.880 30.133 -1.975 215 HZ1 LYS 29 HZ1 LYS 29 -4.636 31.191 -1.611 216 HZ2 LYS 29 HZ2 LYS 29 -3.752 31.335 -2.981 217 HZ3 LYS 29 HZ3 LYS 29 -3.273 32.086 -1.616 218 H GLN 30 H GLN 30 -2.670 24.533 -1.838 219 HA GLN 30 HA GLN 30 -1.453 23.922 0.707 220 HB2 GLN 30 HB2 GLN 30 -3.721 22.570 -0.821 221 HB3 GLN 30 HB3 GLN 30 -3.209 22.118 0.796 222 HG2 GLN 30 HG2 GLN 30 -4.245 24.874 0.010 223 HG3 GLN 30 HG3 GLN 30 -5.212 23.608 0.762 224 HE21 GLN 30 HE21 GLN 30 -4.595 26.347 1.792 225 HE22 GLN 30 HE22 GLN 30 -3.805 26.053 3.335 226 H PHE 31 H PHE 31 -1.386 22.289 -2.469 227 HA PHE 31 HA PHE 31 -0.141 19.827 -1.614 228 HB2 PHE 31 HB2 PHE 31 -0.398 21.316 -4.198 229 HB3 PHE 31 HB3 PHE 31 0.932 20.193 -4.047 230 HD1 PHE 31 HD1 PHE 31 -2.784 20.206 -3.211 231 HD2 PHE 31 HD2 PHE 31 0.605 18.051 -4.794 232 HE1 PHE 31 HE1 PHE 31 -4.246 18.273 -3.714 233 HE2 PHE 31 HE2 PHE 31 -0.899 16.156 -5.380 234 HZ PHE 31 HZ PHE 31 -3.296 16.235 -4.800 235 H ARG 32 H ARG 32 1.379 22.946 -2.616 236 HA ARG 32 HA ARG 32 4.051 22.068 -2.078 237 HB2 ARG 32 HB2 ARG 32 3.651 23.972 -3.514 238 HB3 ARG 32 HB3 ARG 32 2.797 24.831 -2.238 239 HG2 ARG 32 HG2 ARG 32 5.042 25.759 -2.551 240 HG3 ARG 32 HG3 ARG 32 4.855 25.093 -0.943 241 HD2 ARG 32 HD2 ARG 32 5.999 22.951 -1.865 242 HD3 ARG 32 HD3 ARG 32 6.451 23.909 -3.265 243 HE ARG 32 HE ARG 32 7.555 23.956 -0.564 244 HH11 ARG 32 HH11 ARG 32 9.085 25.110 0.053 245 HH12 ARG 32 HH12 ARG 32 9.683 26.508 -0.850 246 HH21 ARG 32 HH21 ARG 32 7.265 26.139 -3.317 247 HH22 ARG 32 HH22 ARG 32 8.629 27.073 -2.766 248 H GLU 33 H GLU 33 1.914 24.052 0.010 249 HA GLU 33 HA GLU 33 3.820 24.218 2.168 250 HB2 GLU 33 HB2 GLU 33 0.781 24.320 2.344 251 HB3 GLU 33 HB3 GLU 33 1.932 24.876 3.560 252 HG2 GLU 33 HG2 GLU 33 1.259 26.128 0.909 253 HG3 GLU 33 HG3 GLU 33 1.138 26.818 2.519 254 H PHE 34 H PHE 34 1.177 21.801 1.610 255 HA PHE 34 HA PHE 34 1.697 20.348 4.005 256 HB2 PHE 34 HB2 PHE 34 -0.374 20.342 2.480 257 HB3 PHE 34 HB3 PHE 34 0.479 19.142 1.514 258 HD1 PHE 34 HD1 PHE 34 -1.404 19.889 4.523 259 HD2 PHE 34 HD2 PHE 34 1.047 16.865 2.651 260 HE1 PHE 34 HE1 PHE 34 -2.236 18.205 6.142 261 HE2 PHE 34 HE2 PHE 34 0.289 15.228 4.329 262 HZ PHE 34 HZ PHE 34 -1.382 15.872 6.056 263 H LEU 35 H LEU 35 3.079 20.035 0.699 264 HA LEU 35 HA LEU 35 4.546 17.653 1.071 265 HB2 LEU 35 HB2 LEU 35 4.402 19.707 -0.892 266 HB3 LEU 35 HB3 LEU 35 6.065 19.741 -0.390 267 HG LEU 35 HG LEU 35 5.894 18.350 -2.284 268 HD11 LEU 35 HD11 LEU 35 6.026 16.345 -0.040 269 HD12 LEU 35 HD12 LEU 35 7.304 17.544 -0.317 270 HD13 LEU 35 HD13 LEU 35 6.908 16.386 -1.584 271 HD21 LEU 35 HD21 LEU 35 3.736 16.779 -0.852 272 HD22 LEU 35 HD22 LEU 35 4.383 16.503 -2.494 273 HD23 LEU 35 HD23 LEU 35 3.467 17.967 -2.143 274 H ASP 36 H ASP 36 5.636 21.021 1.678 275 HA ASP 36 HA ASP 36 8.165 20.208 2.779 276 HB2 ASP 36 HB2 ASP 36 6.677 22.835 2.868 277 HB3 ASP 36 HB3 ASP 36 8.296 22.586 3.515 278 H TYR 37 H TYR 37 5.053 20.998 4.339 279 HA TYR 37 HA TYR 37 5.824 20.681 7.058 280 HB2 TYR 37 HB2 TYR 37 3.705 21.493 6.669 281 HB3 TYR 37 HB3 TYR 37 3.337 20.307 5.439 282 HD1 TYR 37 HD1 TYR 37 4.292 20.021 9.100 283 HD2 TYR 37 HD2 TYR 37 1.499 19.052 5.951 284 HE1 TYR 37 HE1 TYR 37 2.897 18.712 10.712 285 HE2 TYR 37 HE2 TYR 37 0.113 17.783 7.571 286 HH TYR 37 HH TYR 37 -0.143 17.085 9.722 287 H GLN 38 H GLN 38 4.643 18.080 4.780 288 HA GLN 38 HA GLN 38 5.216 15.999 6.686 289 HB2 GLN 38 HB2 GLN 38 4.902 15.873 3.662 290 HB3 GLN 38 HB3 GLN 38 5.127 14.472 4.706 291 HG2 GLN 38 HG2 GLN 38 2.791 16.401 4.972 292 HG3 GLN 38 HG3 GLN 38 2.751 14.844 4.125 293 HE21 GLN 38 HE21 GLN 38 1.839 16.191 7.003 294 HE22 GLN 38 HE22 GLN 38 1.946 14.734 7.981 295 H LYS 39 H LYS 39 7.297 17.438 4.132 296 HA LYS 39 HA LYS 39 9.476 15.592 4.258 297 HB2 LYS 39 HB2 LYS 39 9.220 18.553 3.674 298 HB3 LYS 39 HB3 LYS 39 10.809 17.830 3.772 299 HG2 LYS 39 HG2 LYS 39 10.589 16.600 1.870 300 HG3 LYS 39 HG3 LYS 39 8.806 16.547 1.897 301 HD2 LYS 39 HD2 LYS 39 8.649 18.762 1.100 302 HD3 LYS 39 HD3 LYS 39 10.319 19.162 1.547 303 HE2 LYS 39 HE2 LYS 39 11.173 17.686 -0.226 304 HE3 LYS 39 HE3 LYS 39 9.541 17.209 -0.658 305 HZ1 LYS 39 HZ1 LYS 39 10.273 19.049 -2.112 306 HZ2 LYS 39 HZ2 LYS 39 10.670 19.973 -0.820 307 HZ3 LYS 39 HZ3 LYS 39 9.114 19.649 -1.107 308 H TRP 40 H TRP 40 8.944 18.595 6.145 309 HA TRP 40 HA TRP 40 11.165 18.030 7.911 310 HB2 TRP 40 HB2 TRP 40 9.035 20.141 7.753 311 HB3 TRP 40 HB3 TRP 40 10.144 20.076 9.121 312 HD1 TRP 40 HD1 TRP 40 12.881 19.560 7.897 313 HE1 TRP 40 HE1 TRP 40 14.079 21.277 6.428 314 HE3 TRP 40 HE3 TRP 40 8.827 22.311 6.384 315 HZ2 TRP 40 HZ2 TRP 40 13.395 23.579 4.852 316 HZ3 TRP 40 HZ3 TRP 40 9.150 24.312 4.939 317 HH2 TRP 40 HH2 TRP 40 11.421 24.951 4.167 318 H ARG 41 H ARG 41 7.869 16.921 8.095 319 HA ARG 41 HA ARG 41 8.233 16.165 10.958 320 HB2 ARG 41 HB2 ARG 41 5.943 16.503 9.208 321 HB3 ARG 41 HB3 ARG 41 5.998 14.819 9.663 322 HG2 ARG 41 HG2 ARG 41 4.635 15.880 11.298 323 HG3 ARG 41 HG3 ARG 41 6.164 15.545 12.087 324 HD2 ARG 41 HD2 ARG 41 6.842 18.017 11.528 325 HD3 ARG 41 HD3 ARG 41 5.167 18.225 11.018 326 HE ARG 41 HE ARG 41 5.005 17.039 13.534 327 HH11 ARG 41 HH11 ARG 41 6.558 20.042 12.513 328 HH12 ARG 41 HH12 ARG 41 6.304 20.748 14.099 329 HH21 ARG 41 HH21 ARG 41 4.556 18.112 15.366 330 HH22 ARG 41 HH22 ARG 41 5.180 19.745 15.604 331 H LYS 42 H LYS 42 8.077 14.525 7.836 332 HA LYS 42 HA LYS 42 8.561 11.844 8.917 333 HB2 LYS 42 HB2 LYS 42 8.356 12.912 6.055 334 HB3 LYS 42 HB3 LYS 42 8.469 11.215 6.489 335 HG2 LYS 42 HG2 LYS 42 6.150 13.075 7.183 336 HG3 LYS 42 HG3 LYS 42 6.201 11.855 5.925 337 HD2 LYS 42 HD2 LYS 42 5.080 10.670 7.500 338 HD3 LYS 42 HD3 LYS 42 6.724 10.190 7.927 339 HE2 LYS 42 HE2 LYS 42 6.724 11.992 9.697 340 HE3 LYS 42 HE3 LYS 42 5.075 12.417 9.227 341 HZ1 LYS 42 HZ1 LYS 42 5.908 9.771 10.304 342 HZ2 LYS 42 HZ2 LYS 42 4.383 10.172 9.874 343 HZ3 LYS 42 HZ3 LYS 42 5.097 10.915 11.140 344 H SER 43 H SER 43 10.445 14.007 6.754 345 HA SER 43 HA SER 43 12.759 12.151 6.956 346 HB2 SER 43 HB2 SER 43 11.955 13.002 4.744 347 HB3 SER 43 HB3 SER 43 12.431 14.633 5.243 348 HG SER 43 HG SER 43 14.066 12.350 4.815 349 H GLN 44 H GLN 44 11.839 15.483 7.805 350 HA GLN 44 HA GLN 44 12.675 16.974 9.269 351 HB2 GLN 44 HB2 GLN 44 12.193 14.749 10.612 352 HB3 GLN 44 HB3 GLN 44 13.919 14.779 10.910 353 HG2 GLN 44 HG2 GLN 44 11.808 16.810 11.721 354 HG3 GLN 44 HG3 GLN 44 12.765 15.810 12.761 355 HE21 GLN 44 HE21 GLN 44 12.687 18.799 10.864 356 HE22 GLN 44 HE22 GLN 44 14.207 19.419 11.491 357 H LYS 45 H LYS 45 14.124 17.171 7.161 358 HA LYS 45 HA LYS 45 16.900 16.564 7.296 359 HB2 LYS 45 HB2 LYS 45 15.303 18.406 5.486 360 HB3 LYS 45 HB3 LYS 45 16.950 17.853 5.156 361 HG2 LYS 45 HG2 LYS 45 16.298 15.620 4.775 362 HG3 LYS 45 HG3 LYS 45 14.762 15.804 5.618 363 HD2 LYS 45 HD2 LYS 45 14.293 15.696 3.287 364 HD3 LYS 45 HD3 LYS 45 13.933 17.322 3.896 365 HE2 LYS 45 HE2 LYS 45 16.138 18.116 2.996 366 HE3 LYS 45 HE3 LYS 45 16.487 16.480 2.425 367 HZ1 LYS 45 HZ1 LYS 45 14.569 16.659 0.936 368 HZ2 LYS 45 HZ2 LYS 45 15.623 17.868 0.641 369 HZ3 LYS 45 HZ3 LYS 45 14.248 18.180 1.461 370 H GLU 46 H GLU 46 16.710 17.856 9.609 371 HA GLU 46 HA GLU 46 17.612 20.629 9.499 372 HB2 GLU 46 HB2 GLU 46 16.444 19.552 11.447 373 HB3 GLU 46 HB3 GLU 46 17.897 18.583 11.730 374 HG2 GLU 46 HG2 GLU 46 19.189 20.728 12.031 375 HG3 GLU 46 HG3 GLU 46 17.686 21.624 11.770 376 H GLU 47 H GLU 47 19.692 21.424 9.485 377 HA GLU 47 HA GLU 47 22.061 19.684 9.696 378 HB2 GLU 47 HB2 GLU 47 21.452 19.475 7.330 379 HB3 GLU 47 HB3 GLU 47 21.371 21.223 7.167 380 HG2 GLU 47 HG2 GLU 47 23.417 20.384 6.186 381 HG3 GLU 47 HG3 GLU 47 23.778 21.433 7.544 382 H1 GLY 1 H1 GLY 1 -11.890 32.101 -12.280 383 H2 GLY 1 H2 GLY 1 -11.817 33.716 -12.554 384 H3 GLY 1 H3 GLY 1 -10.953 32.677 -13.488 385 HA2 GLY 1 HA2 GLY 1 -13.902 32.804 -13.377 386 HA3 GLY 1 HA3 GLY 1 -12.902 33.485 -14.676 387 H SER 2 H SER 2 -13.582 32.178 -16.371 388 HA SER 2 HA SER 2 -13.330 29.244 -16.215 389 HB2 SER 2 HB2 SER 2 -13.928 29.316 -18.604 390 HB3 SER 2 HB3 SER 2 -15.123 30.099 -17.562 391 HG SER 2 HG SER 2 -14.659 31.336 -19.442 392 H HIS 3 H HIS 3 -11.696 28.051 -17.077 393 HA HIS 3 HA HIS 3 -9.343 29.326 -18.345 394 HB2 HIS 3 HB2 HIS 3 -9.200 27.702 -15.771 395 HB3 HIS 3 HB3 HIS 3 -7.819 28.262 -16.710 396 HD1 HIS 3 HD1 HIS 3 -7.621 31.104 -16.834 397 HD2 HIS 3 HD2 HIS 3 -10.126 29.353 -13.944 398 HE1 HIS 3 HE1 HIS 3 -8.121 32.928 -15.129 399 H MET 4 H MET 4 -7.856 27.793 -19.283 400 HA MET 4 HA MET 4 -9.151 25.694 -20.698 401 HB2 MET 4 HB2 MET 4 -6.166 26.220 -20.380 402 HB3 MET 4 HB3 MET 4 -6.923 25.168 -21.572 403 HG2 MET 4 HG2 MET 4 -6.501 27.114 -22.768 404 HG3 MET 4 HG3 MET 4 -8.219 27.185 -22.412 405 HE1 MET 4 HE1 MET 4 -4.669 28.688 -21.879 406 HE2 MET 4 HE2 MET 4 -4.908 29.908 -20.610 407 HE3 MET 4 HE3 MET 4 -4.976 28.183 -20.200 408 H GLU 5 H GLU 5 -9.266 23.535 -20.452 409 HA GLU 5 HA GLU 5 -8.501 22.313 -17.887 410 HB2 GLU 5 HB2 GLU 5 -9.822 21.063 -20.306 411 HB3 GLU 5 HB3 GLU 5 -9.725 20.380 -18.681 412 HG2 GLU 5 HG2 GLU 5 -11.043 22.347 -17.820 413 HG3 GLU 5 HG3 GLU 5 -11.309 22.852 -19.493 414 H TYR 6 H TYR 6 -7.464 20.187 -17.812 415 HA TYR 6 HA TYR 6 -5.041 19.983 -19.476 416 HB2 TYR 6 HB2 TYR 6 -6.120 18.349 -17.155 417 HB3 TYR 6 HB3 TYR 6 -4.615 18.012 -17.983 418 HD1 TYR 6 HD1 TYR 6 -4.097 18.046 -15.460 419 HD2 TYR 6 HD2 TYR 6 -4.804 21.599 -17.778 420 HE1 TYR 6 HE1 TYR 6 -2.694 19.318 -13.866 421 HE2 TYR 6 HE2 TYR 6 -3.399 22.894 -16.210 422 HH TYR 6 HH TYR 6 -2.103 22.861 -14.379 423 H ASP 7 H ASP 7 -4.407 17.948 -20.421 424 HA ASP 7 HA ASP 7 -6.569 16.107 -21.295 425 HB2 ASP 7 HB2 ASP 7 -6.234 17.861 -23.029 426 HB3 ASP 7 HB3 ASP 7 -4.545 17.376 -23.175 427 H GLY 8 H GLY 8 -5.188 15.355 -19.267 428 HA2 GLY 8 HA2 GLY 8 -4.092 13.420 -18.543 429 HA3 GLY 8 HA3 GLY 8 -3.484 13.136 -20.173 430 H GLN 9 H GLN 9 -2.398 15.996 -20.221 431 HA GLN 9 HA GLN 9 0.217 15.651 -19.110 432 HB2 GLN 9 HB2 GLN 9 -0.316 17.024 -21.048 433 HB3 GLN 9 HB3 GLN 9 -1.291 18.118 -20.089 434 HG2 GLN 9 HG2 GLN 9 1.642 17.716 -19.387 435 HG3 GLN 9 HG3 GLN 9 1.213 18.647 -20.807 436 HE21 GLN 9 HE21 GLN 9 2.498 20.293 -19.435 437 HE22 GLN 9 HE22 GLN 9 1.494 21.311 -18.412 438 H LEU 10 H LEU 10 1.208 16.799 -17.392 439 HA LEU 10 HA LEU 10 -0.517 18.158 -15.421 440 HB2 LEU 10 HB2 LEU 10 -0.145 15.804 -14.668 441 HB3 LEU 10 HB3 LEU 10 1.599 16.096 -14.653 442 HG LEU 10 HG LEU 10 0.418 15.982 -12.527 443 HD11 LEU 10 HD11 LEU 10 1.429 18.771 -12.549 444 HD12 LEU 10 HD12 LEU 10 2.527 17.439 -12.956 445 HD13 LEU 10 HD13 LEU 10 1.681 17.428 -11.404 446 HD21 LEU 10 HD21 LEU 10 -1.619 17.186 -13.525 447 HD22 LEU 10 HD22 LEU 10 -0.761 18.697 -13.132 448 HD23 LEU 10 HD23 LEU 10 -1.211 17.559 -11.855 449 H ASP 11 H ASP 11 0.331 19.997 -14.656 450 HA ASP 11 HA ASP 11 2.458 21.219 -16.023 451 HB2 ASP 11 HB2 ASP 11 0.389 22.071 -14.457 452 HB3 ASP 11 HB3 ASP 11 1.699 22.217 -13.315 453 H SER 12 H SER 12 4.621 21.586 -15.577 454 HA SER 12 HA SER 12 6.023 19.651 -14.097 455 HB2 SER 12 HB2 SER 12 6.978 20.792 -15.928 456 HB3 SER 12 HB3 SER 12 6.896 22.356 -15.084 457 HG SER 12 HG SER 12 8.558 20.112 -14.526 458 H GLU 13 H GLU 13 4.861 22.807 -13.026 459 HA GLU 13 HA GLU 13 6.226 23.057 -10.553 460 HB2 GLU 13 HB2 GLU 13 3.516 23.991 -11.567 461 HB3 GLU 13 HB3 GLU 13 4.133 24.451 -9.993 462 HG2 GLU 13 HG2 GLU 13 5.519 24.978 -12.658 463 HG3 GLU 13 HG3 GLU 13 4.543 26.150 -11.782 464 H TRP 14 H TRP 14 3.450 21.022 -11.326 465 HA TRP 14 HA TRP 14 3.131 20.361 -8.443 466 HB2 TRP 14 HB2 TRP 14 1.181 19.277 -10.355 467 HB3 TRP 14 HB3 TRP 14 0.991 19.871 -8.712 468 HD1 TRP 14 HD1 TRP 14 -0.017 20.700 -12.022 469 HE1 TRP 14 HE1 TRP 14 -0.444 23.211 -12.393 470 HE3 TRP 14 HE3 TRP 14 2.013 22.530 -7.694 471 HZ2 TRP 14 HZ2 TRP 14 0.200 25.707 -11.077 472 HZ3 TRP 14 HZ3 TRP 14 2.094 24.979 -7.269 473 HH2 TRP 14 HH2 TRP 14 1.226 26.574 -8.962 474 H GLU 15 H GLU 15 3.951 18.949 -11.535 475 HA GLU 15 HA GLU 15 4.335 16.217 -10.907 476 HB2 GLU 15 HB2 GLU 15 4.631 17.038 -13.179 477 HB3 GLU 15 HB3 GLU 15 5.818 18.204 -12.644 478 HG2 GLU 15 HG2 GLU 15 6.961 16.549 -13.788 479 HG3 GLU 15 HG3 GLU 15 7.409 16.417 -12.106 480 H LYS 16 H LYS 16 6.505 19.000 -10.486 481 HA LYS 16 HA LYS 16 8.645 17.491 -9.259 482 HB2 LYS 16 HB2 LYS 16 9.644 19.599 -8.672 483 HB3 LYS 16 HB3 LYS 16 9.065 19.577 -10.338 484 HG2 LYS 16 HG2 LYS 16 8.210 21.565 -9.898 485 HG3 LYS 16 HG3 LYS 16 6.911 20.676 -9.103 486 HD2 LYS 16 HD2 LYS 16 8.084 20.929 -6.917 487 HD3 LYS 16 HD3 LYS 16 9.435 21.731 -7.745 488 HE2 LYS 16 HE2 LYS 16 7.725 23.447 -8.600 489 HE3 LYS 16 HE3 LYS 16 6.580 22.754 -7.449 490 HZ1 LYS 16 HZ1 LYS 16 7.743 24.664 -6.523 491 HZ2 LYS 16 HZ2 LYS 16 9.200 23.981 -6.763 492 HZ3 LYS 16 HZ3 LYS 16 8.173 23.329 -5.668 493 H LEU 17 H LEU 17 5.827 19.003 -7.809 494 HA LEU 17 HA LEU 17 6.626 18.704 -5.038 495 HB2 LEU 17 HB2 LEU 17 3.893 18.878 -6.357 496 HB3 LEU 17 HB3 LEU 17 4.124 18.912 -4.631 497 HG LEU 17 HG LEU 17 5.432 20.931 -6.485 498 HD11 LEU 17 HD11 LEU 17 2.948 21.338 -4.795 499 HD12 LEU 17 HD12 LEU 17 2.880 20.880 -6.502 500 HD13 LEU 17 HD13 LEU 17 3.661 22.404 -6.044 501 HD21 LEU 17 HD21 LEU 17 4.993 20.775 -3.481 502 HD22 LEU 17 HD22 LEU 17 5.499 22.249 -4.348 503 HD23 LEU 17 HD23 LEU 17 6.552 20.823 -4.335 504 H VAL 18 H VAL 18 4.561 16.633 -7.209 505 HA VAL 18 HA VAL 18 4.261 14.615 -5.149 506 HB VAL 18 HB VAL 18 2.688 14.777 -6.966 507 HG11 VAL 18 HG11 VAL 18 5.011 13.975 -8.752 508 HG12 VAL 18 HG12 VAL 18 3.304 13.700 -9.187 509 HG13 VAL 18 HG13 VAL 18 3.917 15.341 -8.873 510 HG21 VAL 18 HG21 VAL 18 4.082 12.058 -6.983 511 HG22 VAL 18 HG22 VAL 18 2.959 12.645 -5.746 512 HG23 VAL 18 HG23 VAL 18 2.406 12.451 -7.420 513 H ARG 19 H ARG 19 6.650 14.853 -7.817 514 HA ARG 19 HA ARG 19 7.980 12.353 -7.269 515 HB2 ARG 19 HB2 ARG 19 8.936 15.028 -8.402 516 HB3 ARG 19 HB3 ARG 19 9.941 13.545 -8.361 517 HG2 ARG 19 HG2 ARG 19 7.999 12.522 -9.731 518 HG3 ARG 19 HG3 ARG 19 7.504 14.149 -10.068 519 HD2 ARG 19 HD2 ARG 19 10.220 12.912 -10.645 520 HD3 ARG 19 HD3 ARG 19 8.895 13.107 -11.775 521 HE ARG 19 HE ARG 19 10.324 15.395 -10.400 522 HH11 ARG 19 HH11 ARG 19 11.328 16.913 -11.656 523 HH12 ARG 19 HH12 ARG 19 11.067 16.928 -13.372 524 HH21 ARG 19 HH21 ARG 19 8.845 14.335 -13.383 525 HH22 ARG 19 HH22 ARG 19 9.824 15.412 -14.352 526 H ASP 20 H ASP 20 8.511 15.639 -6.010 527 HA ASP 20 HA ASP 20 10.668 15.119 -4.223 528 HB2 ASP 20 HB2 ASP 20 8.425 17.112 -4.445 529 HB3 ASP 20 HB3 ASP 20 9.210 16.980 -2.894 530 H ALA 21 H ALA 21 7.095 14.785 -3.667 531 HA ALA 21 HA ALA 21 7.400 13.971 -0.943 532 HB1 ALA 21 HB1 ALA 21 5.093 12.996 -1.282 533 HB2 ALA 21 HB2 ALA 21 5.273 14.700 -1.730 534 HB3 ALA 21 HB3 ALA 21 5.205 13.442 -2.988 535 H MET 22 H MET 22 7.232 12.032 -3.963 536 HA MET 22 HA MET 22 7.399 9.509 -2.711 537 HB2 MET 22 HB2 MET 22 8.451 10.244 -5.454 538 HB3 MET 22 HB3 MET 22 8.170 8.629 -4.810 539 HG2 MET 22 HG2 MET 22 6.296 10.399 -6.127 540 HG3 MET 22 HG3 MET 22 6.257 8.730 -5.894 541 HE1 MET 22 HE1 MET 22 5.642 8.245 -2.526 542 HE2 MET 22 HE2 MET 22 3.951 8.042 -3.048 543 HE3 MET 22 HE3 MET 22 5.270 7.486 -4.091 544 H THR 23 H THR 23 10.103 11.623 -3.869 545 HA THR 23 HA THR 23 12.141 9.735 -2.983 546 HB THR 23 HB THR 23 13.751 11.493 -3.498 547 HG1 THR 23 HG1 THR 23 13.038 13.437 -4.345 548 HG21 THR 23 HG21 THR 23 11.643 11.178 -5.670 549 HG22 THR 23 HG22 THR 23 12.954 10.040 -5.303 550 HG23 THR 23 HG23 THR 23 13.338 11.665 -5.901 551 H SER 24 H SER 24 10.587 12.546 -1.456 552 HA SER 24 HA SER 24 12.466 12.717 0.701 553 HB2 SER 24 HB2 SER 24 11.142 14.616 0.175 554 HB3 SER 24 HB3 SER 24 9.621 13.760 0.423 555 HG SER 24 HG SER 24 11.624 14.353 2.374 556 H GLY 25 H GLY 25 9.680 10.627 0.155 557 HA2 GLY 25 HA2 GLY 25 8.961 8.767 1.404 558 HA3 GLY 25 HA3 GLY 25 10.046 9.195 2.732 559 H VAL 26 H VAL 26 7.899 11.506 1.221 560 HA VAL 26 HA VAL 26 6.463 12.278 3.623 561 HB VAL 26 HB VAL 26 6.320 12.897 0.687 562 HG11 VAL 26 HG11 VAL 26 4.281 13.838 2.670 563 HG12 VAL 26 HG12 VAL 26 4.721 14.757 1.219 564 HG13 VAL 26 HG13 VAL 26 4.040 13.126 1.074 565 HG21 VAL 26 HG21 VAL 26 6.896 14.570 3.157 566 HG22 VAL 26 HG22 VAL 26 8.108 13.878 2.091 567 HG23 VAL 26 HG23 VAL 26 7.022 15.122 1.480 568 H SER 27 H SER 27 4.259 11.978 4.095 569 HA SER 27 HA SER 27 3.326 9.351 3.868 570 HB2 SER 27 HB2 SER 27 1.761 11.847 4.565 571 HB3 SER 27 HB3 SER 27 1.246 10.171 4.851 572 HG SER 27 HG SER 27 3.044 11.742 6.221 573 H LYS 28 H LYS 28 3.132 8.606 1.770 574 HA LYS 28 HA LYS 28 1.827 9.850 -0.373 575 HB2 LYS 28 HB2 LYS 28 1.892 7.692 -1.478 576 HB3 LYS 28 HB3 LYS 28 3.377 7.969 -0.572 577 HG2 LYS 28 HG2 LYS 28 2.413 6.511 1.291 578 HG3 LYS 28 HG3 LYS 28 1.067 6.132 0.200 579 HD2 LYS 28 HD2 LYS 28 2.707 5.231 -1.456 580 HD3 LYS 28 HD3 LYS 28 4.025 5.582 -0.321 581 HE2 LYS 28 HE2 LYS 28 2.964 4.083 1.360 582 HE3 LYS 28 HE3 LYS 28 1.655 3.733 0.225 583 HZ1 LYS 28 HZ1 LYS 28 3.309 2.749 -1.275 584 HZ2 LYS 28 HZ2 LYS 28 3.361 2.005 0.174 585 HZ3 LYS 28 HZ3 LYS 28 4.522 3.077 -0.227 586 H LYS 29 H LYS 29 0.339 7.995 2.215 587 HA LYS 29 HA LYS 29 -2.328 7.850 1.146 588 HB2 LYS 29 HB2 LYS 29 -2.977 7.399 3.460 589 HB3 LYS 29 HB3 LYS 29 -1.575 6.455 2.963 590 HG2 LYS 29 HG2 LYS 29 -0.363 8.682 4.116 591 HG3 LYS 29 HG3 LYS 29 -1.840 8.549 5.070 592 HD2 LYS 29 HD2 LYS 29 -1.269 6.134 5.506 593 HD3 LYS 29 HD3 LYS 29 0.234 6.372 4.576 594 HE2 LYS 29 HE2 LYS 29 0.959 8.117 6.189 595 HE3 LYS 29 HE3 LYS 29 -0.546 7.915 7.096 596 HZ1 LYS 29 HZ1 LYS 29 1.266 6.648 8.100 597 HZ2 LYS 29 HZ2 LYS 29 1.512 5.798 6.730 598 HZ3 LYS 29 HZ3 LYS 29 0.120 5.618 7.569 599 H GLN 30 H GLN 30 -0.639 10.494 2.808 600 HA GLN 30 HA GLN 30 -3.050 11.970 3.448 601 HB2 GLN 30 HB2 GLN 30 -0.126 12.798 3.260 602 HB3 GLN 30 HB3 GLN 30 -1.397 13.904 3.701 603 HG2 GLN 30 HG2 GLN 30 -0.693 11.344 5.222 604 HG3 GLN 30 HG3 GLN 30 -0.154 12.968 5.649 605 HE21 GLN 30 HE21 GLN 30 -3.049 10.828 5.501 606 HE22 GLN 30 HE22 GLN 30 -3.973 11.827 6.609 607 H PHE 31 H PHE 31 -1.003 11.803 0.584 608 HA PHE 31 HA PHE 31 -1.904 14.120 -0.828 609 HB2 PHE 31 HB2 PHE 31 -0.706 11.505 -1.558 610 HB3 PHE 31 HB3 PHE 31 -1.766 12.178 -2.773 611 HD1 PHE 31 HD1 PHE 31 1.021 13.393 -0.518 612 HD2 PHE 31 HD2 PHE 31 -0.856 13.510 -4.410 613 HE1 PHE 31 HE1 PHE 31 2.833 14.828 -1.358 614 HE2 PHE 31 HE2 PHE 31 0.993 14.933 -5.249 615 HZ PHE 31 HZ PHE 31 2.791 15.659 -3.718 616 H ARG 32 H ARG 32 -3.315 10.830 -0.990 617 HA ARG 32 HA ARG 32 -5.584 11.628 -2.521 618 HB2 ARG 32 HB2 ARG 32 -4.721 9.308 -2.420 619 HB3 ARG 32 HB3 ARG 32 -5.012 9.250 -0.687 620 HG2 ARG 32 HG2 ARG 32 -6.746 7.975 -1.764 621 HG3 ARG 32 HG3 ARG 32 -7.461 9.428 -1.106 622 HD2 ARG 32 HD2 ARG 32 -7.075 10.391 -3.561 623 HD3 ARG 32 HD3 ARG 32 -6.980 8.692 -3.998 624 HE ARG 32 HE ARG 32 -9.337 10.181 -2.933 625 HH11 ARG 32 HH11 ARG 32 -11.214 9.427 -2.985 626 HH12 ARG 32 HH12 ARG 32 -11.593 7.777 -3.499 627 HH21 ARG 32 HH21 ARG 32 -8.245 6.990 -3.964 628 HH22 ARG 32 HH22 ARG 32 -9.885 6.408 -4.037 629 H GLU 33 H GLU 33 -5.391 11.090 1.015 630 HA GLU 33 HA GLU 33 -8.180 11.708 1.434 631 HB2 GLU 33 HB2 GLU 33 -5.867 11.979 3.401 632 HB3 GLU 33 HB3 GLU 33 -7.587 11.961 3.793 633 HG2 GLU 33 HG2 GLU 33 -5.924 9.662 2.753 634 HG3 GLU 33 HG3 GLU 33 -6.717 9.809 4.319 635 H PHE 34 H PHE 34 -5.265 13.864 1.500 636 HA PHE 34 HA PHE 34 -6.743 16.199 2.275 637 HB2 PHE 34 HB2 PHE 34 -4.227 15.774 2.441 638 HB3 PHE 34 HB3 PHE 34 -4.132 16.197 0.736 639 HD1 PHE 34 HD1 PHE 34 -4.920 18.607 0.056 640 HD2 PHE 34 HD2 PHE 34 -4.368 17.354 4.153 641 HE1 PHE 34 HE1 PHE 34 -5.010 20.945 0.798 642 HE2 PHE 34 HE2 PHE 34 -4.366 19.724 4.876 643 HZ PHE 34 HZ PHE 34 -4.695 21.534 3.200 644 H LEU 35 H LEU 35 -5.891 14.817 -0.907 645 HA LEU 35 HA LEU 35 -6.748 16.850 -2.642 646 HB2 LEU 35 HB2 LEU 35 -5.750 14.366 -2.987 647 HB3 LEU 35 HB3 LEU 35 -7.434 13.949 -3.158 648 HG LEU 35 HG LEU 35 -5.583 15.494 -4.931 649 HD11 LEU 35 HD11 LEU 35 -6.589 13.984 -6.577 650 HD12 LEU 35 HD12 LEU 35 -7.725 13.371 -5.362 651 HD13 LEU 35 HD13 LEU 35 -5.979 13.095 -5.184 652 HD21 LEU 35 HD21 LEU 35 -7.583 16.126 -6.353 653 HD22 LEU 35 HD22 LEU 35 -7.405 17.076 -4.872 654 HD23 LEU 35 HD23 LEU 35 -8.607 15.772 -4.952 655 H ASP 36 H ASP 36 -8.656 14.094 -1.374 656 HA ASP 36 HA ASP 36 -11.142 14.985 -2.491 657 HB2 ASP 36 HB2 ASP 36 -10.479 12.889 -0.421 658 HB3 ASP 36 HB3 ASP 36 -12.092 13.179 -1.063 659 H TYR 37 H TYR 37 -9.721 15.371 0.763 660 HA TYR 37 HA TYR 37 -11.846 16.762 2.028 661 HB2 TYR 37 HB2 TYR 37 -10.063 16.102 3.353 662 HB3 TYR 37 HB3 TYR 37 -8.861 16.699 2.233 663 HD1 TYR 37 HD1 TYR 37 -7.462 18.114 3.381 664 HD2 TYR 37 HD2 TYR 37 -11.731 18.502 3.904 665 HE1 TYR 37 HE1 TYR 37 -7.103 20.120 4.794 666 HE2 TYR 37 HE2 TYR 37 -11.359 20.541 5.291 667 HH TYR 37 HH TYR 37 -8.085 21.801 6.015 668 H GLN 38 H GLN 38 -9.175 18.182 -0.021 669 HA GLN 38 HA GLN 38 -10.390 20.808 0.045 670 HB2 GLN 38 HB2 GLN 38 -8.392 19.610 -1.903 671 HB3 GLN 38 HB3 GLN 38 -8.930 21.274 -1.962 672 HG2 GLN 38 HG2 GLN 38 -7.314 19.938 0.216 673 HG3 GLN 38 HG3 GLN 38 -6.823 21.266 -0.848 674 HE21 GLN 38 HE21 GLN 38 -7.970 22.383 2.679 675 HE22 GLN 38 HE22 GLN 38 -7.089 20.926 2.245 676 H LYS 39 H LYS 39 -10.766 18.106 -2.311 677 HA LYS 39 HA LYS 39 -12.291 19.494 -4.285 678 HB2 LYS 39 HB2 LYS 39 -12.142 16.656 -3.265 679 HB3 LYS 39 HB3 LYS 39 -13.450 17.072 -4.355 680 HG2 LYS 39 HG2 LYS 39 -12.005 17.565 -6.135 681 HG3 LYS 39 HG3 LYS 39 -10.543 17.573 -5.140 682 HD2 LYS 39 HD2 LYS 39 -10.714 15.239 -4.687 683 HD3 LYS 39 HD3 LYS 39 -12.335 15.120 -5.386 684 HE2 LYS 39 HE2 LYS 39 -11.437 15.473 -7.632 685 HE3 LYS 39 HE3 LYS 39 -9.821 15.745 -6.985 686 HZ1 LYS 39 HZ1 LYS 39 -9.995 13.408 -7.658 687 HZ2 LYS 39 HZ2 LYS 39 -11.384 13.211 -6.823 688 HZ3 LYS 39 HZ3 LYS 39 -10.001 13.429 -6.011 689 H TRP 40 H TRP 40 -13.404 17.830 -1.341 690 HA TRP 40 HA TRP 40 -16.113 18.847 -1.590 691 HB2 TRP 40 HB2 TRP 40 -14.656 17.084 0.365 692 HB3 TRP 40 HB3 TRP 40 -16.325 17.581 0.640 693 HD1 TRP 40 HD1 TRP 40 -17.630 17.296 -2.130 694 HE1 TRP 40 HE1 TRP 40 -18.062 15.052 -3.204 695 HE3 TRP 40 HE3 TRP 40 -14.142 14.526 0.418 696 HZ2 TRP 40 HZ2 TRP 40 -17.058 12.347 -2.986 697 HZ3 TRP 40 HZ3 TRP 40 -13.943 12.088 -0.020 698 HH2 TRP 40 HH2 TRP 40 -15.388 10.988 -1.714 699 H ARG 41 H ARG 41 -13.477 20.542 -0.578 700 HA ARG 41 HA ARG 41 -15.211 22.342 1.094 701 HB2 ARG 41 HB2 ARG 41 -12.329 21.639 1.187 702 HB3 ARG 41 HB3 ARG 41 -12.580 23.359 1.045 703 HG2 ARG 41 HG2 ARG 41 -12.475 22.889 3.384 704 HG3 ARG 41 HG3 ARG 41 -14.135 23.298 3.002 705 HD2 ARG 41 HD2 ARG 41 -14.594 20.715 2.874 706 HD3 ARG 41 HD3 ARG 41 -12.973 20.531 3.543 707 HE ARG 41 HE ARG 41 -14.108 22.350 5.259 708 HH11 ARG 41 HH11 ARG 41 -15.397 19.212 4.295 709 HH12 ARG 41 HH12 ARG 41 -16.451 19.199 5.693 710 HH21 ARG 41 HH21 ARG 41 -15.343 22.256 6.827 711 HH22 ARG 41 HH22 ARG 41 -16.354 20.840 7.201 712 H LYS 42 H LYS 42 -12.973 22.386 -1.653 713 HA LYS 42 HA LYS 42 -13.550 25.115 -2.493 714 HB2 LYS 42 HB2 LYS 42 -12.016 22.755 -3.675 715 HB3 LYS 42 HB3 LYS 42 -12.400 24.151 -4.659 716 HG2 LYS 42 HG2 LYS 42 -10.209 24.439 -3.857 717 HG3 LYS 42 HG3 LYS 42 -11.232 25.659 -3.126 718 HD2 LYS 42 HD2 LYS 42 -10.878 23.195 -1.482 719 HD3 LYS 42 HD3 LYS 42 -9.383 24.010 -1.845 720 HE2 LYS 42 HE2 LYS 42 -11.793 25.403 -0.603 721 HE3 LYS 42 HE3 LYS 42 -10.478 24.657 0.318 722 HZ1 LYS 42 HZ1 LYS 42 -9.967 26.966 0.051 723 HZ2 LYS 42 HZ2 LYS 42 -10.179 26.923 -1.569 724 HZ3 LYS 42 HZ3 LYS 42 -8.921 26.129 -0.902 725 H SER 43 H SER 43 -14.532 21.912 -3.758 726 HA SER 43 HA SER 43 -16.331 23.302 -5.706 727 HB2 SER 43 HB2 SER 43 -14.930 20.617 -5.884 728 HB3 SER 43 HB3 SER 43 -15.956 21.351 -7.135 729 HG SER 43 HG SER 43 -13.571 21.709 -7.278 730 H GLN 44 H GLN 44 -16.327 20.734 -3.257 731 HA GLN 44 HA GLN 44 -17.984 19.625 -2.256 732 HB2 GLN 44 HB2 GLN 44 -18.483 22.267 -2.083 733 HB3 GLN 44 HB3 GLN 44 -20.023 21.750 -2.754 734 HG2 GLN 44 HG2 GLN 44 -18.672 20.600 -0.258 735 HG3 GLN 44 HG3 GLN 44 -19.884 21.858 -0.231 736 HE21 GLN 44 HE21 GLN 44 -19.327 18.392 -0.632 737 HE22 GLN 44 HE22 GLN 44 -21.030 17.957 -0.646 738 H LYS 45 H LYS 45 -17.600 18.760 -4.852 739 HA LYS 45 HA LYS 45 -19.991 18.397 -6.356 740 HB2 LYS 45 HB2 LYS 45 -18.661 16.873 -7.684 741 HB3 LYS 45 HB3 LYS 45 -17.732 18.311 -7.263 742 HG2 LYS 45 HG2 LYS 45 -16.852 16.780 -5.245 743 HG3 LYS 45 HG3 LYS 45 -17.397 15.463 -6.284 744 HD2 LYS 45 HD2 LYS 45 -15.395 17.653 -6.954 745 HD3 LYS 45 HD3 LYS 45 -15.019 15.954 -6.606 746 HE2 LYS 45 HE2 LYS 45 -16.451 15.321 -8.623 747 HE3 LYS 45 HE3 LYS 45 -16.559 17.041 -9.008 748 HZ1 LYS 45 HZ1 LYS 45 -14.762 16.107 -10.251 749 HZ2 LYS 45 HZ2 LYS 45 -14.093 15.400 -8.944 750 HZ3 LYS 45 HZ3 LYS 45 -14.057 17.025 -9.087 751 H GLU 46 H GLU 46 -21.469 16.799 -6.528 752 HA GLU 46 HA GLU 46 -21.880 15.063 -4.208 753 HB2 GLU 46 HB2 GLU 46 -23.447 15.395 -6.798 754 HB3 GLU 46 HB3 GLU 46 -23.950 14.412 -5.413 755 HG2 GLU 46 HG2 GLU 46 -23.963 16.428 -3.969 756 HG3 GLU 46 HG3 GLU 46 -23.458 17.423 -5.336 757 H GLU 47 H GLU 47 -20.408 14.626 -7.319 758 HA GLU 47 HA GLU 47 -19.753 11.830 -6.788 759 HB2 GLU 47 HB2 GLU 47 -20.631 10.938 -8.854 760 HB3 GLU 47 HB3 GLU 47 -21.936 11.582 -7.863 761 HG2 GLU 47 HG2 GLU 47 -22.045 13.605 -9.299 762 HG3 GLU 47 HG3 GLU 47 -20.683 13.009 -10.253 763 H1 GLY 1 H1 GLY 1 -19.078 0.161 19.413 764 H2 GLY 1 H2 GLY 1 -18.506 -1.368 19.555 765 H3 GLY 1 H3 GLY 1 -17.615 -0.227 18.786 766 HA2 GLY 1 HA2 GLY 1 -18.294 -0.209 21.655 767 HA3 GLY 1 HA3 GLY 1 -16.716 -0.656 20.982 768 H SER 2 H SER 2 -17.614 1.578 22.819 769 HA SER 2 HA SER 2 -17.407 4.098 21.496 770 HB2 SER 2 HB2 SER 2 -16.713 3.385 24.371 771 HB3 SER 2 HB3 SER 2 -17.083 5.002 23.751 772 HG SER 2 HG SER 2 -19.193 4.348 23.339 773 H HIS 3 H HIS 3 -15.717 5.640 21.442 774 HA HIS 3 HA HIS 3 -13.099 4.648 20.829 775 HB2 HIS 3 HB2 HIS 3 -14.059 7.486 21.389 776 HB3 HIS 3 HB3 HIS 3 -12.534 7.049 20.623 777 HD1 HIS 3 HD1 HIS 3 -15.090 8.724 19.256 778 HD2 HIS 3 HD2 HIS 3 -13.708 4.803 18.561 779 HE1 HIS 3 HE1 HIS 3 -15.783 8.126 16.883 780 H MET 4 H MET 4 -14.415 6.052 23.803 781 HA MET 4 HA MET 4 -13.630 6.347 25.889 782 HB2 MET 4 HB2 MET 4 -11.822 4.004 25.241 783 HB3 MET 4 HB3 MET 4 -12.220 4.594 26.858 784 HG2 MET 4 HG2 MET 4 -14.610 4.151 26.458 785 HG3 MET 4 HG3 MET 4 -14.238 3.506 24.862 786 HE1 MET 4 HE1 MET 4 -13.190 1.227 24.343 787 HE2 MET 4 HE2 MET 4 -11.690 1.680 25.185 788 HE3 MET 4 HE3 MET 4 -12.481 0.134 25.550 789 H GLU 5 H GLU 5 -12.099 7.787 23.676 790 HA GLU 5 HA GLU 5 -9.522 8.440 24.932 791 HB2 GLU 5 HB2 GLU 5 -11.027 9.718 22.613 792 HB3 GLU 5 HB3 GLU 5 -9.370 10.086 23.070 793 HG2 GLU 5 HG2 GLU 5 -10.405 7.449 21.972 794 HG3 GLU 5 HG3 GLU 5 -9.418 8.633 21.132 795 H TYR 6 H TYR 6 -12.510 9.166 25.979 796 HA TYR 6 HA TYR 6 -11.931 11.894 26.992 797 HB2 TYR 6 HB2 TYR 6 -12.889 11.858 24.561 798 HB3 TYR 6 HB3 TYR 6 -14.381 11.293 25.287 799 HD1 TYR 6 HD1 TYR 6 -11.816 13.998 25.406 800 HD2 TYR 6 HD2 TYR 6 -15.923 12.926 26.160 801 HE1 TYR 6 HE1 TYR 6 -12.387 16.399 25.529 802 HE2 TYR 6 HE2 TYR 6 -16.459 15.323 26.573 803 HH TYR 6 HH TYR 6 -15.662 17.406 26.767 804 H ASP 7 H ASP 7 -13.379 12.607 28.598 805 HA ASP 7 HA ASP 7 -15.362 10.714 29.707 806 HB2 ASP 7 HB2 ASP 7 -13.090 10.095 30.600 807 HB3 ASP 7 HB3 ASP 7 -12.994 11.684 31.353 808 H GLY 8 H GLY 8 -16.040 13.017 28.492 809 HA2 GLY 8 HA2 GLY 8 -17.440 14.826 28.781 810 HA3 GLY 8 HA3 GLY 8 -17.540 14.428 30.496 811 H GLN 9 H GLN 9 -14.385 15.058 29.166 812 HA GLN 9 HA GLN 9 -14.227 17.829 30.213 813 HB2 GLN 9 HB2 GLN 9 -13.887 16.352 32.152 814 HB3 GLN 9 HB3 GLN 9 -12.711 15.391 31.248 815 HG2 GLN 9 HG2 GLN 9 -11.632 16.926 32.873 816 HG3 GLN 9 HG3 GLN 9 -11.111 17.219 31.225 817 HE21 GLN 9 HE21 GLN 9 -10.889 19.421 30.821 818 HE22 GLN 9 HE22 GLN 9 -11.939 20.648 31.521 819 H LEU 10 H LEU 10 -12.925 19.038 28.878 820 HA LEU 10 HA LEU 10 -11.287 17.720 26.895 821 HB2 LEU 10 HB2 LEU 10 -12.474 20.007 26.686 822 HB3 LEU 10 HB3 LEU 10 -11.087 20.678 27.542 823 HG LEU 10 HG LEU 10 -11.096 20.917 25.083 824 HD11 LEU 10 HD11 LEU 10 -8.778 19.137 25.683 825 HD12 LEU 10 HD12 LEU 10 -8.951 20.733 26.440 826 HD13 LEU 10 HD13 LEU 10 -8.902 20.602 24.675 827 HD21 LEU 10 HD21 LEU 10 -12.069 18.392 25.024 828 HD22 LEU 10 HD22 LEU 10 -10.394 18.090 24.541 829 HD23 LEU 10 HD23 LEU 10 -11.454 19.230 23.667 830 H ASP 11 H ASP 11 -9.359 17.027 27.008 831 HA ASP 11 HA ASP 11 -7.830 16.998 29.404 832 HB2 ASP 11 HB2 ASP 11 -7.963 15.472 27.162 833 HB3 ASP 11 HB3 ASP 11 -6.632 16.524 26.713 834 H SER 12 H SER 12 -5.961 18.148 30.003 835 HA SER 12 HA SER 12 -5.735 20.855 29.179 836 HB2 SER 12 HB2 SER 12 -3.781 20.900 30.577 837 HB3 SER 12 HB3 SER 12 -5.070 19.921 31.327 838 HG SER 12 HG SER 12 -3.010 18.910 31.494 839 H GLU 13 H GLU 13 -4.151 17.997 28.003 840 HA GLU 13 HA GLU 13 -2.065 19.072 26.419 841 HB2 GLU 13 HB2 GLU 13 -3.788 16.573 26.223 842 HB3 GLU 13 HB3 GLU 13 -2.433 16.846 25.143 843 HG2 GLU 13 HG2 GLU 13 -2.204 16.755 28.184 844 HG3 GLU 13 HG3 GLU 13 -2.001 15.350 27.140 845 H TRP 14 H TRP 14 -5.530 18.848 25.672 846 HA TRP 14 HA TRP 14 -4.949 19.703 22.889 847 HB2 TRP 14 HB2 TRP 14 -7.717 19.055 23.678 848 HB3 TRP 14 HB3 TRP 14 -6.858 18.817 22.160 849 HD1 TRP 14 HD1 TRP 14 -8.365 16.868 24.673 850 HE1 TRP 14 HE1 TRP 14 -7.238 14.581 25.109 851 HE3 TRP 14 HE3 TRP 14 -4.078 17.511 21.961 852 HZ2 TRP 14 HZ2 TRP 14 -4.799 13.233 24.397 853 HZ3 TRP 14 HZ3 TRP 14 -2.377 15.707 21.824 854 HH2 TRP 14 HH2 TRP 14 -2.709 13.578 23.061 855 H GLU 15 H GLU 15 -6.546 20.801 25.811 856 HA GLU 15 HA GLU 15 -7.659 23.268 24.982 857 HB2 GLU 15 HB2 GLU 15 -8.061 22.608 27.218 858 HB3 GLU 15 HB3 GLU 15 -6.353 22.246 27.515 859 HG2 GLU 15 HG2 GLU 15 -5.803 24.634 27.479 860 HG3 GLU 15 HG3 GLU 15 -7.504 25.042 27.201 861 H LYS 16 H LYS 16 -4.339 22.442 25.970 862 HA LYS 16 HA LYS 16 -3.348 25.142 25.651 863 HB2 LYS 16 HB2 LYS 16 -1.136 24.268 25.971 864 HB3 LYS 16 HB3 LYS 16 -2.279 23.567 27.114 865 HG2 LYS 16 HG2 LYS 16 -1.251 21.674 26.613 866 HG3 LYS 16 HG3 LYS 16 -2.379 21.640 25.265 867 HD2 LYS 16 HD2 LYS 16 -0.657 22.603 23.762 868 HD3 LYS 16 HD3 LYS 16 0.483 22.732 25.104 869 HE2 LYS 16 HE2 LYS 16 -0.762 20.111 24.175 870 HE3 LYS 16 HE3 LYS 16 0.776 20.708 23.557 871 HZ1 LYS 16 HZ1 LYS 16 1.790 20.378 25.624 872 HZ2 LYS 16 HZ2 LYS 16 0.746 19.099 25.578 873 HZ3 LYS 16 HZ3 LYS 16 0.388 20.399 26.466 874 H LEU 17 H LEU 17 -3.669 22.552 23.323 875 HA LEU 17 HA LEU 17 -2.065 23.747 21.214 876 HB2 LEU 17 HB2 LEU 17 -4.341 21.735 21.150 877 HB3 LEU 17 HB3 LEU 17 -3.356 22.129 19.762 878 HG LEU 17 HG LEU 17 -2.146 21.058 22.335 879 HD11 LEU 17 HD11 LEU 17 -3.914 19.565 21.171 880 HD12 LEU 17 HD12 LEU 17 -2.305 18.891 21.489 881 HD13 LEU 17 HD13 LEU 17 -2.730 19.451 19.852 882 HD21 LEU 17 HD21 LEU 17 -0.345 20.373 20.758 883 HD22 LEU 17 HD22 LEU 17 -0.516 22.133 20.898 884 HD23 LEU 17 HD23 LEU 17 -1.179 21.296 19.476 885 H VAL 18 H VAL 18 -5.625 23.685 21.896 886 HA VAL 18 HA VAL 18 -6.182 25.377 19.614 887 HB VAL 18 HB VAL 18 -7.832 23.891 20.583 888 HG11 VAL 18 HG11 VAL 18 -7.484 24.024 22.898 889 HG12 VAL 18 HG12 VAL 18 -7.742 25.758 22.964 890 HG13 VAL 18 HG13 VAL 18 -9.115 24.675 22.608 891 HG21 VAL 18 HG21 VAL 18 -8.785 26.772 20.694 892 HG22 VAL 18 HG22 VAL 18 -8.527 25.851 19.216 893 HG23 VAL 18 HG23 VAL 18 -9.742 25.311 20.393 894 H ARG 19 H ARG 19 -5.674 26.244 23.081 895 HA ARG 19 HA ARG 19 -5.888 29.087 22.717 896 HB2 ARG 19 HB2 ARG 19 -4.435 27.265 24.670 897 HB3 ARG 19 HB3 ARG 19 -4.197 29.032 24.712 898 HG2 ARG 19 HG2 ARG 19 -6.659 29.286 24.886 899 HG3 ARG 19 HG3 ARG 19 -6.802 27.530 25.128 900 HD2 ARG 19 HD2 ARG 19 -5.277 29.541 26.847 901 HD3 ARG 19 HD3 ARG 19 -6.901 28.970 27.162 902 HE ARG 19 HE ARG 19 -6.149 26.931 27.936 903 HH11 ARG 19 HH11 ARG 19 -3.308 28.668 26.807 904 HH12 ARG 19 HH12 ARG 19 -2.250 27.705 27.795 905 HH21 ARG 19 HH21 ARG 19 -4.786 25.843 29.206 906 HH22 ARG 19 HH22 ARG 19 -3.060 26.118 29.096 907 H ASP 20 H ASP 20 -3.068 26.939 22.340 908 HA ASP 20 HA ASP 20 -1.135 28.875 21.573 909 HB2 ASP 20 HB2 ASP 20 -1.552 25.948 21.220 910 HB3 ASP 20 HB3 ASP 20 -0.597 26.674 19.956 911 H ALA 21 H ALA 21 -3.580 27.203 19.511 912 HA ALA 21 HA ALA 21 -2.676 28.411 17.070 913 HB1 ALA 21 HB1 ALA 21 -4.932 27.728 16.234 914 HB2 ALA 21 HB2 ALA 21 -4.063 26.430 17.073 915 HB3 ALA 21 HB3 ALA 21 -5.395 27.290 17.881 916 H MET 22 H MET 22 -5.209 29.349 19.427 917 HA MET 22 HA MET 22 -6.070 31.668 18.083 918 HB2 MET 22 HB2 MET 22 -6.020 31.182 21.069 919 HB3 MET 22 HB3 MET 22 -6.911 32.441 20.231 920 HG2 MET 22 HG2 MET 22 -7.715 29.723 20.756 921 HG3 MET 22 HG3 MET 22 -8.631 31.061 20.249 922 HE1 MET 22 HE1 MET 22 -9.230 31.777 18.232 923 HE2 MET 22 HE2 MET 22 -7.941 31.665 17.017 924 HE3 MET 22 HE3 MET 22 -9.472 30.770 16.782 925 H THR 23 H THR 23 -3.326 31.314 20.410 926 HA THR 23 HA THR 23 -2.651 34.151 20.226 927 HB THR 23 HB THR 23 -0.678 33.590 21.567 928 HG1 THR 23 HG1 THR 23 -0.197 31.529 20.950 929 HG21 THR 23 HG21 THR 23 -2.800 34.098 22.686 930 HG22 THR 23 HG22 THR 23 -1.847 32.914 23.601 931 HG23 THR 23 HG23 THR 23 -3.250 32.379 22.652 932 H SER 24 H SER 24 -1.416 31.231 18.571 933 HA SER 24 HA SER 24 0.847 32.636 17.454 934 HB2 SER 24 HB2 SER 24 0.863 30.237 17.910 935 HB3 SER 24 HB3 SER 24 -0.291 29.955 16.598 936 HG SER 24 HG SER 24 1.232 31.078 15.221 937 H GLY 25 H GLY 25 -2.389 33.040 16.669 938 HA2 GLY 25 HA2 GLY 25 -3.440 34.073 14.885 939 HA3 GLY 25 HA3 GLY 25 -1.859 34.406 14.164 940 H VAL 26 H VAL 26 -2.797 31.145 14.991 941 HA VAL 26 HA VAL 26 -2.472 30.064 12.320 942 HB VAL 26 HB VAL 26 -3.433 29.026 14.969 943 HG11 VAL 26 HG11 VAL 26 -4.718 27.586 13.762 944 HG12 VAL 26 HG12 VAL 26 -3.571 27.493 12.432 945 HG13 VAL 26 HG13 VAL 26 -3.194 26.694 13.977 946 HG21 VAL 26 HG21 VAL 26 -0.990 29.462 14.595 947 HG22 VAL 26 HG22 VAL 26 -1.331 27.758 14.906 948 HG23 VAL 26 HG23 VAL 26 -1.017 28.320 13.254 949 H SER 27 H SER 27 -4.036 29.298 10.904 950 HA SER 27 HA SER 27 -6.169 31.011 10.450 951 HB2 SER 27 HB2 SER 27 -5.825 28.182 9.435 952 HB3 SER 27 HB3 SER 27 -6.939 29.384 8.762 953 HG SER 27 HG SER 27 -4.217 29.090 8.457 954 H LYS 28 H LYS 28 -7.883 31.316 11.795 955 HA LYS 28 HA LYS 28 -8.800 29.361 13.600 956 HB2 LYS 28 HB2 LYS 28 -10.538 30.904 14.222 957 HB3 LYS 28 HB3 LYS 28 -9.032 31.774 13.952 958 HG2 LYS 28 HG2 LYS 28 -9.877 32.477 11.689 959 HG3 LYS 28 HG3 LYS 28 -11.408 31.648 12.035 960 HD2 LYS 28 HD2 LYS 28 -11.752 33.116 14.011 961 HD3 LYS 28 HD3 LYS 28 -10.228 33.954 13.647 962 HE2 LYS 28 HE2 LYS 28 -11.129 34.614 11.424 963 HE3 LYS 28 HE3 LYS 28 -12.645 33.781 11.788 964 HZ1 LYS 28 HZ1 LYS 28 -12.974 35.331 13.645 965 HZ2 LYS 28 HZ2 LYS 28 -12.810 36.159 12.249 966 HZ3 LYS 28 HZ3 LYS 28 -11.571 36.102 13.308 967 H LYS 29 H LYS 29 -9.907 29.900 10.269 968 HA LYS 29 HA LYS 29 -12.260 28.243 10.445 969 HB2 LYS 29 HB2 LYS 29 -12.185 28.285 8.031 970 HB3 LYS 29 HB3 LYS 29 -11.898 29.897 8.687 971 HG2 LYS 29 HG2 LYS 29 -9.311 28.902 8.387 972 HG3 LYS 29 HG3 LYS 29 -10.160 28.090 7.079 973 HD2 LYS 29 HD2 LYS 29 -10.071 31.088 7.639 974 HD3 LYS 29 HD3 LYS 29 -9.102 30.253 6.412 975 HE2 LYS 29 HE2 LYS 29 -11.176 29.556 5.226 976 HE3 LYS 29 HE3 LYS 29 -12.156 30.400 6.431 977 HZ1 LYS 29 HZ1 LYS 29 -11.094 32.486 5.738 978 HZ2 LYS 29 HZ2 LYS 29 -11.813 31.771 4.461 979 HZ3 LYS 29 HZ3 LYS 29 -10.191 31.705 4.620 980 H GLN 30 H GLN 30 -8.831 27.532 9.851 981 HA GLN 30 HA GLN 30 -9.202 24.916 8.807 982 HB2 GLN 30 HB2 GLN 30 -6.849 26.123 10.321 983 HB3 GLN 30 HB3 GLN 30 -6.862 24.502 9.671 984 HG2 GLN 30 HG2 GLN 30 -7.224 27.018 8.017 985 HG3 GLN 30 HG3 GLN 30 -5.718 26.088 8.189 986 HE21 GLN 30 HE21 GLN 30 -7.213 26.689 5.685 987 HE22 GLN 30 HE22 GLN 30 -7.641 25.106 5.049 988 H PHE 31 H PHE 31 -9.258 26.023 12.173 989 HA PHE 31 HA PHE 31 -8.962 23.457 13.406 990 HB2 PHE 31 HB2 PHE 31 -9.903 26.114 14.201 991 HB3 PHE 31 HB3 PHE 31 -10.904 24.846 14.893 992 HD1 PHE 31 HD1 PHE 31 -7.269 25.527 14.248 993 HD2 PHE 31 HD2 PHE 31 -10.228 23.822 16.882 994 HE1 PHE 31 HE1 PHE 31 -5.497 24.926 15.851 995 HE2 PHE 31 HE2 PHE 31 -8.454 23.217 18.484 996 HZ PHE 31 HZ PHE 31 -6.059 23.706 17.963 997 H ARG 32 H ARG 32 -11.956 25.003 12.188 998 HA ARG 32 HA ARG 32 -13.564 22.623 12.581 999 HB2 ARG 32 HB2 ARG 32 -14.596 24.836 12.492 1000 HB3 ARG 32 HB3 ARG 32 -13.918 25.131 10.893 1001 HG2 ARG 32 HG2 ARG 32 -16.268 24.581 10.691 1002 HG3 ARG 32 HG3 ARG 32 -15.314 23.331 9.935 1003 HD2 ARG 32 HD2 ARG 32 -15.533 22.012 12.166 1004 HD3 ARG 32 HD3 ARG 32 -16.789 23.157 12.609 1005 HE ARG 32 HE ARG 32 -16.863 20.957 10.680 1006 HH11 ARG 32 HH11 ARG 32 -18.618 23.884 11.541 1007 HH12 ARG 32 HH12 ARG 32 -19.969 23.447 10.531 1008 HH21 ARG 32 HH21 ARG 32 -18.416 20.628 9.280 1009 HH22 ARG 32 HH22 ARG 32 -19.900 21.573 9.312 1010 H GLU 33 H GLU 33 -11.977 23.993 9.694 1011 HA GLU 33 HA GLU 33 -12.943 21.989 7.946 1012 HB2 GLU 33 HB2 GLU 33 -10.308 23.381 7.537 1013 HB3 GLU 33 HB3 GLU 33 -11.372 22.651 6.334 1014 HG2 GLU 33 HG2 GLU 33 -11.651 25.239 7.763 1015 HG3 GLU 33 HG3 GLU 33 -11.657 24.941 6.042 1016 H PHE 34 H PHE 34 -9.840 21.959 9.778 1017 HA PHE 34 HA PHE 34 -9.104 19.351 8.846 1018 HB2 PHE 34 HB2 PHE 34 -7.173 20.229 9.435 1019 HB3 PHE 34 HB3 PHE 34 -7.859 21.362 10.558 1020 HD1 PHE 34 HD1 PHE 34 -6.721 17.797 10.275 1021 HD2 PHE 34 HD2 PHE 34 -7.842 21.059 12.883 1022 HE1 PHE 34 HE1 PHE 34 -6.033 16.486 12.232 1023 HE2 PHE 34 HE2 PHE 34 -7.039 19.761 14.835 1024 HZ PHE 34 HZ PHE 34 -6.152 17.450 14.505 1025 H LEU 35 H LEU 35 -10.962 20.471 11.736 1026 HA LEU 35 HA LEU 35 -11.281 17.920 12.939 1027 HB2 LEU 35 HB2 LEU 35 -12.696 20.495 13.026 1028 HB3 LEU 35 HB3 LEU 35 -13.856 19.212 12.948 1029 HG LEU 35 HG LEU 35 -13.366 19.830 15.253 1030 HD11 LEU 35 HD11 LEU 35 -13.239 17.694 16.108 1031 HD12 LEU 35 HD12 LEU 35 -12.137 17.102 14.844 1032 HD13 LEU 35 HD13 LEU 35 -13.849 17.407 14.487 1033 HD21 LEU 35 HD21 LEU 35 -11.087 20.628 14.962 1034 HD22 LEU 35 HD22 LEU 35 -10.514 18.965 14.755 1035 HD23 LEU 35 HD23 LEU 35 -11.256 19.494 16.289 1036 H ASP 36 H ASP 36 -13.298 19.395 10.350 1037 HA ASP 36 HA ASP 36 -14.821 17.034 9.872 1038 HB2 ASP 36 HB2 ASP 36 -14.271 19.436 8.139 1039 HB3 ASP 36 HB3 ASP 36 -15.296 18.093 7.633 1040 H TYR 37 H TYR 37 -11.758 18.124 8.330 1041 HA TYR 37 HA TYR 37 -11.447 16.142 6.373 1042 HB2 TYR 37 HB2 TYR 37 -9.964 18.077 6.649 1043 HB3 TYR 37 HB3 TYR 37 -9.442 17.455 8.199 1044 HD1 TYR 37 HD1 TYR 37 -9.607 15.072 5.372 1045 HD2 TYR 37 HD2 TYR 37 -7.155 17.821 7.626 1046 HE1 TYR 37 HE1 TYR 37 -7.578 14.069 4.399 1047 HE2 TYR 37 HE2 TYR 37 -5.107 16.776 6.657 1048 HH TYR 37 HH TYR 37 -5.284 14.037 4.358 1049 H GLN 38 H GLN 38 -10.295 15.940 9.826 1050 HA GLN 38 HA GLN 38 -9.549 13.141 9.457 1051 HB2 GLN 38 HB2 GLN 38 -9.908 14.773 11.997 1052 HB3 GLN 38 HB3 GLN 38 -9.297 13.117 11.925 1053 HG2 GLN 38 HG2 GLN 38 -7.982 15.580 10.726 1054 HG3 GLN 38 HG3 GLN 38 -7.410 14.614 12.096 1055 HE21 GLN 38 HE21 GLN 38 -6.293 15.246 9.213 1056 HE22 GLN 38 HE22 GLN 38 -5.798 13.646 8.702 1057 H LYS 39 H LYS 39 -12.454 14.732 10.875 1058 HA LYS 39 HA LYS 39 -13.826 12.391 11.727 1059 HB2 LYS 39 HB2 LYS 39 -14.673 15.071 10.624 1060 HB3 LYS 39 HB3 LYS 39 -15.880 13.846 10.915 1061 HG2 LYS 39 HG2 LYS 39 -15.570 13.820 13.202 1062 HG3 LYS 39 HG3 LYS 39 -14.020 14.676 13.213 1063 HD2 LYS 39 HD2 LYS 39 -15.102 16.741 12.591 1064 HD3 LYS 39 HD3 LYS 39 -16.596 15.917 12.118 1065 HE2 LYS 39 HE2 LYS 39 -17.015 15.304 14.489 1066 HE3 LYS 39 HE3 LYS 39 -15.555 16.168 14.971 1067 HZ1 LYS 39 HZ1 LYS 39 -17.497 17.635 15.205 1068 HZ2 LYS 39 HZ2 LYS 39 -17.945 17.376 13.657 1069 HZ3 LYS 39 HZ3 LYS 39 -16.582 18.206 13.980 1070 H TRP 40 H TRP 40 -13.623 13.763 8.440 1071 HA TRP 40 HA TRP 40 -15.358 12.194 6.979 1072 HB2 TRP 40 HB2 TRP 40 -13.680 14.161 6.338 1073 HB3 TRP 40 HB3 TRP 40 -12.641 12.862 5.831 1074 HD1 TRP 40 HD1 TRP 40 -13.678 11.254 3.844 1075 HE1 TRP 40 HE1 TRP 40 -15.338 11.757 1.948 1076 HE3 TRP 40 HE3 TRP 40 -15.308 15.926 5.322 1077 HZ2 TRP 40 HZ2 TRP 40 -17.274 13.765 1.286 1078 HZ3 TRP 40 HZ3 TRP 40 -17.061 17.080 4.020 1079 HH2 TRP 40 HH2 TRP 40 -18.066 16.015 2.019 1080 H ARG 41 H ARG 41 -12.246 11.188 8.226 1081 HA ARG 41 HA ARG 41 -12.483 8.541 6.844 1082 HB2 ARG 41 HB2 ARG 41 -10.558 9.998 6.178 1083 HB3 ARG 41 HB3 ARG 41 -9.983 9.976 7.840 1084 HG2 ARG 41 HG2 ARG 41 -8.745 8.393 6.413 1085 HG3 ARG 41 HG3 ARG 41 -9.576 7.562 7.724 1086 HD2 ARG 41 HD2 ARG 41 -9.762 6.308 5.625 1087 HD3 ARG 41 HD3 ARG 41 -11.350 6.834 6.191 1088 HE ARG 41 HE ARG 41 -9.949 8.573 4.212 1089 HH11 ARG 41 HH11 ARG 41 -12.501 6.173 4.551 1090 HH12 ARG 41 HH12 ARG 41 -13.204 6.642 3.027 1091 HH21 ARG 41 HH21 ARG 41 -10.766 9.030 2.423 1092 HH22 ARG 41 HH22 ARG 41 -12.232 8.267 1.793 1093 H LYS 42 H LYS 42 -11.595 10.038 9.956 1094 HA LYS 42 HA LYS 42 -11.250 7.514 11.363 1095 HB2 LYS 42 HB2 LYS 42 -11.708 10.321 12.479 1096 HB3 LYS 42 HB3 LYS 42 -11.096 8.936 13.375 1097 HG2 LYS 42 HG2 LYS 42 -9.674 10.324 11.065 1098 HG3 LYS 42 HG3 LYS 42 -9.306 10.528 12.761 1099 HD2 LYS 42 HD2 LYS 42 -8.019 8.672 12.842 1100 HD3 LYS 42 HD3 LYS 42 -9.211 7.687 12.016 1101 HE2 LYS 42 HE2 LYS 42 -7.358 7.688 10.577 1102 HE3 LYS 42 HE3 LYS 42 -8.538 8.777 9.833 1103 HZ1 LYS 42 HZ1 LYS 42 -7.237 10.663 10.580 1104 HZ2 LYS 42 HZ2 LYS 42 -6.167 9.623 9.930 1105 HZ3 LYS 42 HZ3 LYS 42 -6.305 9.761 11.557 1106 H SER 43 H SER 43 -14.013 9.514 10.715 1107 HA SER 43 HA SER 43 -15.727 7.527 12.186 1108 HB2 SER 43 HB2 SER 43 -15.596 9.604 13.461 1109 HB3 SER 43 HB3 SER 43 -16.113 10.531 12.043 1110 HG SER 43 HG SER 43 -17.613 8.502 13.385 1111 H GLN 44 H GLN 44 -15.378 9.595 9.338 1112 HA GLN 44 HA GLN 44 -16.276 9.581 7.342 1113 HB2 GLN 44 HB2 GLN 44 -15.804 6.984 7.775 1114 HB3 GLN 44 HB3 GLN 44 -17.537 6.880 7.515 1115 HG2 GLN 44 HG2 GLN 44 -15.328 7.731 5.632 1116 HG3 GLN 44 HG3 GLN 44 -16.509 6.456 5.423 1117 HE21 GLN 44 HE21 GLN 44 -15.883 9.913 5.076 1118 HE22 GLN 44 HE22 GLN 44 -17.339 10.248 4.137 1119 H LYS 45 H LYS 45 -17.680 10.904 9.307 1120 HA LYS 45 HA LYS 45 -20.534 10.793 8.923 1121 HB2 LYS 45 HB2 LYS 45 -18.549 13.008 9.563 1122 HB3 LYS 45 HB3 LYS 45 -20.295 13.263 9.545 1123 HG2 LYS 45 HG2 LYS 45 -20.685 11.947 11.424 1124 HG3 LYS 45 HG3 LYS 45 -19.184 11.021 11.258 1125 HD2 LYS 45 HD2 LYS 45 -17.826 12.835 11.949 1126 HD3 LYS 45 HD3 LYS 45 -19.160 13.999 11.813 1127 HE2 LYS 45 HE2 LYS 45 -19.082 13.691 14.117 1128 HE3 LYS 45 HE3 LYS 45 -20.381 12.613 13.609 1129 HZ1 LYS 45 HZ1 LYS 45 -18.599 10.805 13.618 1130 HZ2 LYS 45 HZ2 LYS 45 -18.989 11.405 15.096 1131 HZ3 LYS 45 HZ3 LYS 45 -17.607 11.865 14.359 1132 H GLU 46 H GLU 46 -21.296 10.627 6.899 1133 HA GLU 46 HA GLU 46 -20.099 11.925 4.606 1134 HB2 GLU 46 HB2 GLU 46 -21.197 9.681 4.656 1135 HB3 GLU 46 HB3 GLU 46 -22.764 10.482 4.862 1136 HG2 GLU 46 HG2 GLU 46 -22.543 11.547 2.666 1137 HG3 GLU 46 HG3 GLU 46 -20.874 10.970 2.524 1138 H GLU 47 H GLU 47 -22.649 12.848 6.793 1139 HA GLU 47 HA GLU 47 -23.192 15.373 5.313 1140 HB2 GLU 47 HB2 GLU 47 -25.336 13.488 6.374 1141 HB3 GLU 47 HB3 GLU 47 -25.605 15.139 5.801 1142 HG2 GLU 47 HG2 GLU 47 -24.671 14.453 3.560 1143 HG3 GLU 47 HG3 GLU 47 -24.655 12.778 4.129 1144 H1 GLY 1 H1 GLY 1 -1.496 46.516 33.662 1145 H2 GLY 1 H2 GLY 1 -1.690 46.167 32.073 1146 H3 GLY 1 H3 GLY 1 -1.595 44.956 33.170 1147 HA2 GLY 1 HA2 GLY 1 -3.663 45.643 34.202 1148 HA3 GLY 1 HA3 GLY 1 -3.770 46.938 32.996 1149 H SER 2 H SER 2 -5.854 45.981 32.450 1150 HA SER 2 HA SER 2 -6.231 43.350 31.466 1151 HB2 SER 2 HB2 SER 2 -7.774 45.869 30.742 1152 HB3 SER 2 HB3 SER 2 -8.350 44.201 30.585 1153 HG SER 2 HG SER 2 -8.322 43.993 32.823 1154 H HIS 3 H HIS 3 -6.546 42.515 29.386 1155 HA HIS 3 HA HIS 3 -5.706 44.016 26.993 1156 HB2 HIS 3 HB2 HIS 3 -4.010 42.241 26.426 1157 HB3 HIS 3 HB3 HIS 3 -3.568 43.316 27.738 1158 HD1 HIS 3 HD1 HIS 3 -5.131 39.698 27.532 1159 HD2 HIS 3 HD2 HIS 3 -2.671 42.201 29.874 1160 HE1 HIS 3 HE1 HIS 3 -4.277 38.275 29.436 1161 H MET 4 H MET 4 -6.248 43.036 25.041 1162 HA MET 4 HA MET 4 -8.482 41.166 25.051 1163 HB2 MET 4 HB2 MET 4 -8.359 41.429 22.577 1164 HB3 MET 4 HB3 MET 4 -8.535 42.927 23.478 1165 HG2 MET 4 HG2 MET 4 -7.027 43.349 21.703 1166 HG3 MET 4 HG3 MET 4 -6.110 43.391 23.193 1167 HE1 MET 4 HE1 MET 4 -3.742 43.062 22.587 1168 HE2 MET 4 HE2 MET 4 -3.191 42.133 21.173 1169 HE3 MET 4 HE3 MET 4 -4.293 43.512 20.955 1170 H GLU 5 H GLU 5 -5.064 40.709 24.992 1171 HA GLU 5 HA GLU 5 -4.982 38.228 23.544 1172 HB2 GLU 5 HB2 GLU 5 -3.068 39.755 23.945 1173 HB3 GLU 5 HB3 GLU 5 -3.063 39.258 25.652 1174 HG2 GLU 5 HG2 GLU 5 -2.436 37.006 25.072 1175 HG3 GLU 5 HG3 GLU 5 -2.769 37.290 23.360 1176 H TYR 6 H TYR 6 -4.641 36.111 24.339 1177 HA TYR 6 HA TYR 6 -6.567 35.333 26.314 1178 HB2 TYR 6 HB2 TYR 6 -4.513 33.892 24.621 1179 HB3 TYR 6 HB3 TYR 6 -5.485 33.043 25.809 1180 HD1 TYR 6 HD1 TYR 6 -6.425 31.558 24.232 1181 HD2 TYR 6 HD2 TYR 6 -6.999 35.812 23.711 1182 HE1 TYR 6 HE1 TYR 6 -8.272 31.127 22.655 1183 HE2 TYR 6 HE2 TYR 6 -8.851 35.368 22.152 1184 HH TYR 6 HH TYR 6 -10.119 33.793 21.108 1185 H ASP 7 H ASP 7 -6.347 34.262 28.231 1186 HA ASP 7 HA ASP 7 -3.722 33.730 29.450 1187 HB2 ASP 7 HB2 ASP 7 -4.188 36.085 30.037 1188 HB3 ASP 7 HB3 ASP 7 -5.725 35.613 30.759 1189 H GLY 8 H GLY 8 -4.890 31.671 28.729 1190 HA2 GLY 8 HA2 GLY 8 -5.529 29.589 29.602 1191 HA3 GLY 8 HA3 GLY 8 -6.057 30.361 31.094 1192 H GLN 9 H GLN 9 -7.707 32.294 29.360 1193 HA GLN 9 HA GLN 9 -10.208 30.900 29.017 1194 HB2 GLN 9 HB2 GLN 9 -10.193 33.229 29.469 1195 HB3 GLN 9 HB3 GLN 9 -9.078 33.600 28.172 1196 HG2 GLN 9 HG2 GLN 9 -11.712 32.394 27.350 1197 HG3 GLN 9 HG3 GLN 9 -11.762 33.986 28.080 1198 HE21 GLN 9 HE21 GLN 9 -9.073 32.852 25.854 1199 HE22 GLN 9 HE22 GLN 9 -9.468 34.079 24.674 1200 H LEU 10 H LEU 10 -11.154 30.075 27.178 1201 HA LEU 10 HA LEU 10 -9.829 30.409 24.556 1202 HB2 LEU 10 HB2 LEU 10 -9.228 28.179 25.549 1203 HB3 LEU 10 HB3 LEU 10 -10.936 27.749 25.558 1204 HG LEU 10 HG LEU 10 -9.514 26.741 23.862 1205 HD11 LEU 10 HD11 LEU 10 -12.030 27.345 23.494 1206 HD12 LEU 10 HD12 LEU 10 -11.009 26.582 22.260 1207 HD13 LEU 10 HD13 LEU 10 -11.361 28.328 22.184 1208 HD21 LEU 10 HD21 LEU 10 -9.396 29.294 22.281 1209 HD22 LEU 10 HD22 LEU 10 -8.278 27.916 22.301 1210 HD23 LEU 10 HD23 LEU 10 -8.242 29.048 23.599 1211 H ASP 11 H ASP 11 -11.234 30.871 22.930 1212 HA ASP 11 HA ASP 11 -13.889 31.669 23.552 1213 HB2 ASP 11 HB2 ASP 11 -12.164 32.232 21.565 1214 HB3 ASP 11 HB3 ASP 11 -13.084 30.994 20.748 1215 H SER 12 H SER 12 -15.830 30.603 23.469 1216 HA SER 12 HA SER 12 -15.868 27.826 23.719 1217 HB2 SER 12 HB2 SER 12 -18.201 29.542 22.883 1218 HB3 SER 12 HB3 SER 12 -18.263 27.959 23.698 1219 HG SER 12 HG SER 12 -17.368 28.887 25.533 1220 H GLU 13 H GLU 13 -16.090 29.638 20.773 1221 HA GLU 13 HA GLU 13 -17.178 27.708 18.969 1222 HB2 GLU 13 HB2 GLU 13 -15.269 30.052 18.636 1223 HB3 GLU 13 HB3 GLU 13 -15.881 29.128 17.276 1224 HG2 GLU 13 HG2 GLU 13 -17.622 30.591 19.305 1225 HG3 GLU 13 HG3 GLU 13 -17.121 31.261 17.758 1226 H TRP 14 H TRP 14 -13.856 28.114 20.221 1227 HA TRP 14 HA TRP 14 -12.899 26.019 18.360 1228 HB2 TRP 14 HB2 TRP 14 -11.004 27.279 20.223 1229 HB3 TRP 14 HB3 TRP 14 -10.808 26.732 18.571 1230 HD1 TRP 14 HD1 TRP 14 -10.714 29.766 20.415 1231 HE1 TRP 14 HE1 TRP 14 -11.426 31.845 19.079 1232 HE3 TRP 14 HE3 TRP 14 -12.712 27.465 16.293 1233 HZ2 TRP 14 HZ2 TRP 14 -12.686 32.440 16.552 1234 HZ3 TRP 14 HZ3 TRP 14 -13.631 28.812 14.418 1235 HH2 TRP 14 HH2 TRP 14 -13.642 31.293 14.542 1236 H GLU 15 H GLU 15 -13.518 26.530 21.755 1237 HA GLU 15 HA GLU 15 -12.555 24.155 22.970 1238 HB2 GLU 15 HB2 GLU 15 -13.386 25.930 24.318 1239 HB3 GLU 15 HB3 GLU 15 -14.894 25.979 23.422 1240 HG2 GLU 15 HG2 GLU 15 -15.387 25.144 25.503 1241 HG3 GLU 15 HG3 GLU 15 -15.554 23.812 24.389 1242 H LYS 16 H LYS 16 -15.686 24.793 21.365 1243 HA LYS 16 HA LYS 16 -16.644 22.066 21.713 1244 HB2 LYS 16 HB2 LYS 16 -18.460 22.617 20.240 1245 HB3 LYS 16 HB3 LYS 16 -18.182 23.867 21.445 1246 HG2 LYS 16 HG2 LYS 16 -18.432 25.261 19.750 1247 HG3 LYS 16 HG3 LYS 16 -16.732 24.934 19.460 1248 HD2 LYS 16 HD2 LYS 16 -17.330 23.201 17.780 1249 HD3 LYS 16 HD3 LYS 16 -19.048 23.472 18.081 1250 HE2 LYS 16 HE2 LYS 16 -17.120 25.617 17.096 1251 HE3 LYS 16 HE3 LYS 16 -18.094 24.626 16.014 1252 HZ1 LYS 16 HZ1 LYS 16 -20.049 25.651 16.759 1253 HZ2 LYS 16 HZ2 LYS 16 -18.990 26.918 16.769 1254 HZ3 LYS 16 HZ3 LYS 16 -19.392 26.190 18.156 1255 H LEU 17 H LEU 17 -14.650 23.465 19.196 1256 HA LEU 17 HA LEU 17 -14.828 21.230 17.349 1257 HB2 LEU 17 HB2 LEU 17 -12.726 23.391 17.703 1258 HB3 LEU 17 HB3 LEU 17 -12.769 22.291 16.348 1259 HG LEU 17 HG LEU 17 -15.103 24.121 17.015 1260 HD11 LEU 17 HD11 LEU 17 -12.814 25.252 16.495 1261 HD12 LEU 17 HD12 LEU 17 -14.259 25.754 15.606 1262 HD13 LEU 17 HD13 LEU 17 -13.085 24.656 14.844 1263 HD21 LEU 17 HD21 LEU 17 -15.610 23.758 14.592 1264 HD22 LEU 17 HD22 LEU 17 -15.746 22.287 15.571 1265 HD23 LEU 17 HD23 LEU 17 -14.309 22.537 14.558 1266 H VAL 18 H VAL 18 -12.338 22.147 19.843 1267 HA VAL 18 HA VAL 18 -10.821 19.720 19.404 1268 HB VAL 18 HB VAL 18 -9.805 21.612 20.485 1269 HG11 VAL 18 HG11 VAL 18 -11.794 21.148 22.729 1270 HG12 VAL 18 HG12 VAL 18 -10.263 22.026 22.939 1271 HG13 VAL 18 HG13 VAL 18 -11.497 22.594 21.785 1272 HG21 VAL 18 HG21 VAL 18 -8.874 19.382 20.933 1273 HG22 VAL 18 HG22 VAL 18 -8.670 20.497 22.302 1274 HG23 VAL 18 HG23 VAL 18 -9.882 19.199 22.370 1275 H ARG 19 H ARG 19 -13.485 20.400 21.712 1276 HA ARG 19 HA ARG 19 -13.407 17.794 22.975 1277 HB2 ARG 19 HB2 ARG 19 -15.606 19.867 22.507 1278 HB3 ARG 19 HB3 ARG 19 -15.874 18.374 23.446 1279 HG2 ARG 19 HG2 ARG 19 -13.986 19.070 24.924 1280 HG3 ARG 19 HG3 ARG 19 -13.906 20.616 24.119 1281 HD2 ARG 19 HD2 ARG 19 -16.286 19.437 25.607 1282 HD3 ARG 19 HD3 ARG 19 -15.133 20.629 26.237 1283 HE ARG 19 HE ARG 19 -16.106 21.798 23.926 1284 HH11 ARG 19 HH11 ARG 19 -17.645 20.662 26.859 1285 HH12 ARG 19 HH12 ARG 19 -18.976 21.776 26.715 1286 HH21 ARG 19 HH21 ARG 19 -17.851 23.223 23.810 1287 HH22 ARG 19 HH22 ARG 19 -19.079 23.175 25.036 1288 H ASP 20 H ASP 20 -15.173 18.966 20.125 1289 HA ASP 20 HA ASP 20 -16.444 16.541 19.336 1290 HB2 ASP 20 HB2 ASP 20 -15.564 19.089 18.047 1291 HB3 ASP 20 HB3 ASP 20 -15.717 17.729 16.959 1292 H ALA 21 H ALA 21 -13.068 17.657 18.673 1293 HA ALA 21 HA ALA 21 -12.435 15.424 16.988 1294 HB1 ALA 21 HB1 ALA 21 -10.101 16.087 17.394 1295 HB2 ALA 21 HB2 ALA 21 -11.131 17.491 17.080 1296 HB3 ALA 21 HB3 ALA 21 -10.600 17.126 18.733 1297 H MET 22 H MET 22 -11.982 15.953 20.503 1298 HA MET 22 HA MET 22 -10.780 13.452 21.054 1299 HB2 MET 22 HB2 MET 22 -12.540 15.073 22.911 1300 HB3 MET 22 HB3 MET 22 -11.447 13.745 23.320 1301 HG2 MET 22 HG2 MET 22 -10.812 16.582 23.008 1302 HG3 MET 22 HG3 MET 22 -10.053 15.362 23.880 1303 HE1 MET 22 HE1 MET 22 -8.700 13.213 21.602 1304 HE2 MET 22 HE2 MET 22 -7.196 14.129 21.895 1305 HE3 MET 22 HE3 MET 22 -8.363 13.890 23.212 1306 H THR 23 H THR 23 -14.297 14.306 20.983 1307 HA THR 23 HA THR 23 -15.072 11.582 21.669 1308 HB THR 23 HB THR 23 -17.358 12.281 21.211 1309 HG1 THR 23 HG1 THR 23 -17.773 14.401 20.636 1310 HG21 THR 23 HG21 THR 23 -16.397 12.727 23.428 1311 HG22 THR 23 HG22 THR 23 -17.570 13.974 22.971 1312 HG23 THR 23 HG23 THR 23 -15.828 14.317 22.885 1313 H SER 24 H SER 24 -14.801 13.318 18.536 1314 HA SER 24 HA SER 24 -15.996 11.113 17.109 1315 HB2 SER 24 HB2 SER 24 -16.151 13.516 16.450 1316 HB3 SER 24 HB3 SER 24 -14.484 13.432 15.858 1317 HG SER 24 HG SER 24 -15.151 11.626 14.584 1318 H GLY 25 H GLY 25 -13.104 10.989 18.586 1319 HA2 GLY 25 HA2 GLY 25 -11.371 9.482 18.416 1320 HA3 GLY 25 HA3 GLY 25 -12.214 8.710 17.068 1321 H VAL 26 H VAL 26 -11.365 12.107 16.925 1322 HA VAL 26 HA VAL 26 -9.896 11.843 14.449 1323 HB VAL 26 HB VAL 26 -10.429 14.106 16.358 1324 HG11 VAL 26 HG11 VAL 26 -8.754 14.249 13.906 1325 HG12 VAL 26 HG12 VAL 26 -9.765 15.621 14.412 1326 HG13 VAL 26 HG13 VAL 26 -8.503 14.981 15.490 1327 HG21 VAL 26 HG21 VAL 26 -12.347 13.225 15.028 1328 HG22 VAL 26 HG22 VAL 26 -11.934 14.864 14.529 1329 HG23 VAL 26 HG23 VAL 26 -11.426 13.485 13.538 1330 H SER 27 H SER 27 -7.702 12.080 14.027 1331 HA SER 27 HA SER 27 -5.985 10.738 15.756 1332 HB2 SER 27 HB2 SER 27 -5.327 12.562 13.440 1333 HB3 SER 27 HB3 SER 27 -4.138 11.539 14.266 1334 HG SER 27 HG SER 27 -5.303 9.720 13.661 1335 H LYS 28 H LYS 28 -5.368 11.355 17.718 1336 HA LYS 28 HA LYS 28 -5.356 14.027 18.600 1337 HB2 LYS 28 HB2 LYS 28 -4.476 13.204 20.696 1338 HB3 LYS 28 HB3 LYS 28 -5.714 12.116 20.076 1339 HG2 LYS 28 HG2 LYS 28 -3.938 10.539 19.301 1340 HG3 LYS 28 HG3 LYS 28 -2.696 11.658 19.872 1341 HD2 LYS 28 HD2 LYS 28 -2.943 9.890 21.475 1342 HD3 LYS 28 HD3 LYS 28 -3.512 11.400 22.198 1343 HE2 LYS 28 HE2 LYS 28 -5.862 10.736 21.764 1344 HE3 LYS 28 HE3 LYS 28 -5.309 9.260 20.962 1345 HZ1 LYS 28 HZ1 LYS 28 -4.866 9.912 23.827 1346 HZ2 LYS 28 HZ2 LYS 28 -4.346 8.547 23.081 1347 HZ3 LYS 28 HZ3 LYS 28 -5.949 8.829 23.245 1348 H LYS 29 H LYS 29 -2.641 12.215 17.149 1349 HA LYS 29 HA LYS 29 -0.640 14.183 17.829 1350 HB2 LYS 29 HB2 LYS 29 0.694 13.075 16.157 1351 HB3 LYS 29 HB3 LYS 29 -0.087 11.898 17.215 1352 HG2 LYS 29 HG2 LYS 29 -1.868 12.110 15.071 1353 HG3 LYS 29 HG3 LYS 29 -0.312 12.393 14.299 1354 HD2 LYS 29 HD2 LYS 29 -1.106 10.025 16.056 1355 HD3 LYS 29 HD3 LYS 29 -1.044 9.998 14.285 1356 HE2 LYS 29 HE2 LYS 29 1.397 10.457 14.341 1357 HE3 LYS 29 HE3 LYS 29 1.361 10.484 16.109 1358 HZ1 LYS 29 HZ1 LYS 29 2.064 8.317 15.278 1359 HZ2 LYS 29 HZ2 LYS 29 0.682 8.123 14.434 1360 HZ3 LYS 29 HZ3 LYS 29 0.648 8.153 16.069 1361 H GLN 30 H GLN 30 -2.925 13.845 15.108 1362 HA GLN 30 HA GLN 30 -1.734 15.853 13.469 1363 HB2 GLN 30 HB2 GLN 30 -4.626 14.901 13.575 1364 HB3 GLN 30 HB3 GLN 30 -3.961 16.005 12.390 1365 HG2 GLN 30 HG2 GLN 30 -3.037 13.139 12.768 1366 HG3 GLN 30 HG3 GLN 30 -4.154 13.718 11.525 1367 HE21 GLN 30 HE21 GLN 30 -1.674 12.342 10.959 1368 HE22 GLN 30 HE22 GLN 30 -0.680 13.505 10.093 1369 H PHE 31 H PHE 31 -3.944 16.152 16.199 1370 HA PHE 31 HA PHE 31 -4.675 18.900 15.873 1371 HB2 PHE 31 HB2 PHE 31 -4.818 16.902 17.958 1372 HB3 PHE 31 HB3 PHE 31 -4.166 18.370 18.647 1373 HD1 PHE 31 HD1 PHE 31 -5.613 20.246 19.115 1374 HD2 PHE 31 HD2 PHE 31 -6.937 17.048 16.545 1375 HE1 PHE 31 HE1 PHE 31 -7.867 21.247 19.021 1376 HE2 PHE 31 HE2 PHE 31 -9.130 18.142 16.316 1377 HZ PHE 31 HZ PHE 31 -9.629 20.258 17.538 1378 H ARG 32 H ARG 32 -1.815 17.586 17.577 1379 HA ARG 32 HA ARG 32 -0.522 20.158 17.843 1380 HB2 ARG 32 HB2 ARG 32 -0.032 18.297 19.370 1381 HB3 ARG 32 HB3 ARG 32 0.483 17.290 18.020 1382 HG2 ARG 32 HG2 ARG 32 2.445 18.096 19.185 1383 HG3 ARG 32 HG3 ARG 32 2.393 18.822 17.595 1384 HD2 ARG 32 HD2 ARG 32 1.188 20.834 18.856 1385 HD3 ARG 32 HD3 ARG 32 1.930 20.134 20.287 1386 HE ARG 32 HE ARG 32 3.234 21.389 17.916 1387 HH11 ARG 32 HH11 ARG 32 3.860 20.111 21.167 1388 HH12 ARG 32 HH12 ARG 32 5.504 20.720 21.078 1389 HH21 ARG 32 HH21 ARG 32 5.299 21.777 17.866 1390 HH22 ARG 32 HH22 ARG 32 6.260 21.686 19.368 1391 H GLU 33 H GLU 33 0.016 17.484 15.536 1392 HA GLU 33 HA GLU 33 2.124 18.806 14.165 1393 HB2 GLU 33 HB2 GLU 33 0.198 16.846 12.903 1394 HB3 GLU 33 HB3 GLU 33 1.827 17.267 12.375 1395 HG2 GLU 33 HG2 GLU 33 1.099 15.574 14.756 1396 HG3 GLU 33 HG3 GLU 33 1.889 15.092 13.279 1397 H PHE 34 H PHE 34 -1.414 19.014 13.512 1398 HA PHE 34 HA PHE 34 -1.080 20.714 11.212 1399 HB2 PHE 34 HB2 PHE 34 -3.080 19.211 11.803 1400 HB3 PHE 34 HB3 PHE 34 -3.615 20.522 12.850 1401 HD1 PHE 34 HD1 PHE 34 -3.886 22.907 11.646 1402 HD2 PHE 34 HD2 PHE 34 -3.551 19.144 9.551 1403 HE1 PHE 34 HE1 PHE 34 -4.751 23.959 9.581 1404 HE2 PHE 34 HE2 PHE 34 -4.490 20.198 7.510 1405 HZ PHE 34 HZ PHE 34 -5.080 22.613 7.519 1406 H LEU 35 H LEU 35 -1.625 21.323 14.728 1407 HA LEU 35 HA LEU 35 -1.739 24.158 14.644 1408 HB2 LEU 35 HB2 LEU 35 -1.242 22.107 16.599 1409 HB3 LEU 35 HB3 LEU 35 0.076 23.232 16.758 1410 HG LEU 35 HG LEU 35 -1.691 23.812 18.300 1411 HD11 LEU 35 HD11 LEU 35 -0.393 25.625 17.065 1412 HD12 LEU 35 HD12 LEU 35 -1.896 26.081 17.852 1413 HD13 LEU 35 HD13 LEU 35 -1.856 25.867 16.088 1414 HD21 LEU 35 HD21 LEU 35 -3.533 24.018 15.918 1415 HD22 LEU 35 HD22 LEU 35 -3.919 24.332 17.632 1416 HD23 LEU 35 HD23 LEU 35 -3.512 22.702 17.104 1417 H ASP 36 H ASP 36 1.163 22.054 14.798 1418 HA ASP 36 HA ASP 36 3.024 24.162 14.427 1419 HB2 ASP 36 HB2 ASP 36 3.292 21.201 13.950 1420 HB3 ASP 36 HB3 ASP 36 4.609 22.357 13.749 1421 H TYR 37 H TYR 37 1.408 22.104 11.957 1422 HA TYR 37 HA TYR 37 2.752 23.026 9.664 1423 HB2 TYR 37 HB2 TYR 37 1.181 21.169 9.616 1424 HB3 TYR 37 HB3 TYR 37 -0.129 22.221 10.112 1425 HD1 TYR 37 HD1 TYR 37 -1.688 21.839 8.404 1426 HD2 TYR 37 HD2 TYR 37 2.340 23.028 7.424 1427 HE1 TYR 37 HE1 TYR 37 -2.359 22.159 6.026 1428 HE2 TYR 37 HE2 TYR 37 1.685 23.284 5.059 1429 HH TYR 37 HH TYR 37 -1.667 23.024 3.927 1430 H GLN 38 H GLN 38 -0.205 24.461 11.194 1431 HA GLN 38 HA GLN 38 -0.210 26.722 9.358 1432 HB2 GLN 38 HB2 GLN 38 -1.577 26.267 12.033 1433 HB3 GLN 38 HB3 GLN 38 -1.791 27.718 11.050 1434 HG2 GLN 38 HG2 GLN 38 -2.466 24.879 10.162 1435 HG3 GLN 38 HG3 GLN 38 -3.630 26.108 10.676 1436 HE21 GLN 38 HE21 GLN 38 -2.668 26.072 6.828 1437 HE22 GLN 38 HE22 GLN 38 -2.354 24.722 7.907 1438 H LYS 39 H LYS 39 1.061 26.317 12.714 1439 HA LYS 39 HA LYS 39 2.084 28.935 13.131 1440 HB2 LYS 39 HB2 LYS 39 2.968 26.171 13.942 1441 HB3 LYS 39 HB3 LYS 39 3.968 27.542 14.341 1442 HG2 LYS 39 HG2 LYS 39 2.471 28.456 15.818 1443 HG3 LYS 39 HG3 LYS 39 1.044 27.577 15.218 1444 HD2 LYS 39 HD2 LYS 39 1.803 25.540 16.217 1445 HD3 LYS 39 HD3 LYS 39 3.460 26.141 16.417 1446 HE2 LYS 39 HE2 LYS 39 2.673 27.761 18.117 1447 HE3 LYS 39 HE3 LYS 39 1.028 27.145 17.956 1448 HZ1 LYS 39 HZ1 LYS 39 1.994 24.914 18.601 1449 HZ2 LYS 39 HZ2 LYS 39 2.120 26.015 19.808 1450 HZ3 LYS 39 HZ3 LYS 39 3.429 25.626 18.882 1451 H TRP 40 H TRP 40 3.632 26.227 11.401 1452 HA TRP 40 HA TRP 40 6.110 27.148 10.759 1453 HB2 TRP 40 HB2 TRP 40 4.708 24.940 10.112 1454 HB3 TRP 40 HB3 TRP 40 4.537 25.746 8.590 1455 HD1 TRP 40 HD1 TRP 40 6.755 26.031 7.117 1456 HE1 TRP 40 HE1 TRP 40 9.054 24.873 7.169 1457 HE3 TRP 40 HE3 TRP 40 6.315 23.412 11.538 1458 HZ2 TRP 40 HZ2 TRP 40 10.559 23.192 8.942 1459 HZ3 TRP 40 HZ3 TRP 40 8.208 22.055 12.363 1460 HH2 TRP 40 HH2 TRP 40 10.332 21.935 11.086 1461 H ARG 41 H ARG 41 3.179 28.345 9.358 1462 HA ARG 41 HA ARG 41 4.653 29.940 7.301 1463 HB2 ARG 41 HB2 ARG 41 3.281 27.845 6.599 1464 HB3 ARG 41 HB3 ARG 41 1.851 28.769 7.043 1465 HG2 ARG 41 HG2 ARG 41 2.254 28.858 4.663 1466 HG3 ARG 41 HG3 ARG 41 2.452 30.482 5.336 1467 HD2 ARG 41 HD2 ARG 41 4.806 30.454 5.032 1468 HD3 ARG 41 HD3 ARG 41 4.872 28.692 5.050 1469 HE ARG 41 HE ARG 41 4.236 28.532 2.840 1470 HH11 ARG 41 HH11 ARG 41 3.935 29.192 0.821 1471 HH12 ARG 41 HH12 ARG 41 4.068 30.890 0.386 1472 HH21 ARG 41 HH21 ARG 41 4.413 31.953 3.652 1473 HH22 ARG 41 HH22 ARG 41 4.288 32.432 1.981 1474 H LYS 42 H LYS 42 1.827 29.893 9.471 1475 HA LYS 42 HA LYS 42 1.069 32.674 8.946 1476 HB2 LYS 42 HB2 LYS 42 0.284 30.810 11.223 1477 HB3 LYS 42 HB3 LYS 42 -0.476 32.343 10.834 1478 HG2 LYS 42 HG2 LYS 42 -0.546 29.833 9.094 1479 HG3 LYS 42 HG3 LYS 42 -1.829 30.474 10.101 1480 HD2 LYS 42 HD2 LYS 42 -2.527 31.237 8.081 1481 HD3 LYS 42 HD3 LYS 42 -1.590 32.637 8.604 1482 HE2 LYS 42 HE2 LYS 42 0.355 31.764 7.243 1483 HE3 LYS 42 HE3 LYS 42 -0.643 30.395 6.737 1484 HZ1 LYS 42 HZ1 LYS 42 -0.676 32.174 5.079 1485 HZ2 LYS 42 HZ2 LYS 42 -1.252 33.251 6.161 1486 HZ3 LYS 42 HZ3 LYS 42 -2.175 31.985 5.698 1487 H SER 43 H SER 43 3.205 31.115 11.325 1488 HA SER 43 HA SER 43 4.076 33.861 12.154 1489 HB2 SER 43 HB2 SER 43 4.350 33.065 14.439 1490 HB3 SER 43 HB3 SER 43 2.670 32.893 13.904 1491 HG SER 43 HG SER 43 3.205 30.986 14.858 1492 H GLN 44 H GLN 44 5.022 30.650 11.187 1493 HA GLN 44 HA GLN 44 6.881 29.798 10.452 1494 HB2 GLN 44 HB2 GLN 44 7.047 32.321 9.543 1495 HB3 GLN 44 HB3 GLN 44 8.571 32.237 10.428 1496 HG2 GLN 44 HG2 GLN 44 7.593 30.522 8.106 1497 HG3 GLN 44 HG3 GLN 44 8.893 31.690 8.085 1498 HE21 GLN 44 HE21 GLN 44 8.031 28.366 8.863 1499 HE22 GLN 44 HE22 GLN 44 9.681 27.859 9.231 1500 H LYS 45 H LYS 45 6.408 30.277 13.424 1501 HA LYS 45 HA LYS 45 9.043 29.317 14.391 1502 HB2 LYS 45 HB2 LYS 45 8.004 29.090 16.541 1503 HB3 LYS 45 HB3 LYS 45 7.650 30.677 15.863 1504 HG2 LYS 45 HG2 LYS 45 5.421 29.348 15.026 1505 HG3 LYS 45 HG3 LYS 45 5.796 28.373 16.437 1506 HD2 LYS 45 HD2 LYS 45 5.359 31.374 16.288 1507 HD3 LYS 45 HD3 LYS 45 4.233 30.211 16.984 1508 HE2 LYS 45 HE2 LYS 45 7.026 30.799 18.085 1509 HE3 LYS 45 HE3 LYS 45 5.553 31.583 18.651 1510 HZ1 LYS 45 HZ1 LYS 45 6.057 28.647 18.805 1511 HZ2 LYS 45 HZ2 LYS 45 4.717 29.420 19.349 1512 HZ3 LYS 45 HZ3 LYS 45 6.163 29.694 20.049 1513 H GLU 46 H GLU 46 9.498 27.213 14.859 1514 HA GLU 46 HA GLU 46 7.949 25.173 13.367 1515 HB2 GLU 46 HB2 GLU 46 10.676 25.045 14.704 1516 HB3 GLU 46 HB3 GLU 46 9.942 23.776 13.708 1517 HG2 GLU 46 HG2 GLU 46 9.875 25.352 11.773 1518 HG3 GLU 46 HG3 GLU 46 10.672 26.580 12.755 1519 H GLU 47 H GLU 47 7.772 26.337 16.434 1520 HA GLU 47 HA GLU 47 6.827 23.849 17.746 1521 HB2 GLU 47 HB2 GLU 47 9.295 24.104 18.174 1522 HB3 GLU 47 HB3 GLU 47 8.987 25.708 18.813 1523 HG2 GLU 47 HG2 GLU 47 9.118 24.576 20.771 1524 HG3 GLU 47 HG3 GLU 47 7.389 24.443 20.521 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 26.602 -0.046 -0.090 2 H2 GLY 1 H2 GLY 1 27.240 1.298 -0.779 3 H3 GLY 1 H3 GLY 1 27.161 -0.103 -1.627 4 HA2 GLY 1 HA2 GLY 1 24.844 1.475 -0.713 5 HA3 GLY 1 HA3 GLY 1 25.453 1.420 -2.378 6 H SER 2 H SER 2 22.879 0.831 -2.072 7 HA SER 2 HA SER 2 22.675 -1.950 -2.946 8 HB2 SER 2 HB2 SER 2 22.466 -2.039 -0.404 9 HB3 SER 2 HB3 SER 2 20.994 -1.072 -0.570 10 HG SER 2 HG SER 2 21.533 -3.731 -1.358 11 H HIS 3 H HIS 3 20.162 -2.371 -3.237 12 HA HIS 3 HA HIS 3 19.091 -0.703 -5.264 13 HB2 HIS 3 HB2 HIS 3 17.202 -2.149 -5.167 14 HB3 HIS 3 HB3 HIS 3 18.620 -3.140 -4.873 15 HD1 HIS 3 HD1 HIS 3 18.993 -3.244 -1.824 16 HD2 HIS 3 HD2 HIS 3 15.224 -2.725 -3.644 17 HE1 HIS 3 HE1 HIS 3 17.265 -3.928 -0.097 18 H MET 4 H MET 4 17.080 0.483 -5.284 19 HA MET 4 HA MET 4 16.188 1.752 -2.751 20 HB2 MET 4 HB2 MET 4 17.172 3.284 -5.192 21 HB3 MET 4 HB3 MET 4 16.336 3.994 -3.807 22 HG2 MET 4 HG2 MET 4 18.165 3.163 -2.318 23 HG3 MET 4 HG3 MET 4 19.055 2.637 -3.747 24 HE1 MET 4 HE1 MET 4 20.083 5.957 -5.488 25 HE2 MET 4 HE2 MET 4 20.214 4.184 -5.467 26 HE3 MET 4 HE3 MET 4 18.670 4.961 -5.890 27 H GLU 5 H GLU 5 14.203 2.890 -2.910 28 HA GLU 5 HA GLU 5 12.205 1.735 -4.703 29 HB2 GLU 5 HB2 GLU 5 11.951 4.047 -2.736 30 HB3 GLU 5 HB3 GLU 5 10.639 3.122 -3.469 31 HG2 GLU 5 HG2 GLU 5 11.569 1.040 -2.367 32 HG3 GLU 5 HG3 GLU 5 12.657 2.086 -1.444 33 H TYR 6 H TYR 6 10.559 3.387 -5.611 34 HA TYR 6 HA TYR 6 9.871 4.920 -7.035 35 HB2 TYR 6 HB2 TYR 6 10.512 6.403 -5.221 36 HB3 TYR 6 HB3 TYR 6 12.139 6.546 -5.866 37 HD1 TYR 6 HD1 TYR 6 12.691 8.085 -7.608 38 HD2 TYR 6 HD2 TYR 6 8.589 7.459 -6.439 39 HE1 TYR 6 HE1 TYR 6 11.986 9.943 -9.095 40 HE2 TYR 6 HE2 TYR 6 7.899 9.426 -7.804 41 HH TYR 6 HH TYR 6 10.234 10.946 -10.072 42 H ASP 7 H ASP 7 13.122 4.220 -7.539 43 HA ASP 7 HA ASP 7 14.469 4.042 -9.383 44 HB2 ASP 7 HB2 ASP 7 12.794 2.152 -9.431 45 HB3 ASP 7 HB3 ASP 7 11.927 3.027 -10.693 46 H GLY 8 H GLY 8 13.458 6.713 -9.224 47 HA2 GLY 8 HA2 GLY 8 13.712 8.669 -10.400 48 HA3 GLY 8 HA3 GLY 8 14.337 7.737 -11.757 49 H GLN 9 H GLN 9 11.074 6.946 -10.696 50 HA GLN 9 HA GLN 9 9.868 8.587 -12.884 51 HB2 GLN 9 HB2 GLN 9 10.441 6.456 -13.879 52 HB3 GLN 9 HB3 GLN 9 9.738 5.574 -12.524 53 HG2 GLN 9 HG2 GLN 9 8.283 5.487 -14.499 54 HG3 GLN 9 HG3 GLN 9 7.484 6.260 -13.144 55 HE21 GLN 9 HE21 GLN 9 6.184 7.931 -13.903 56 HE22 GLN 9 HE22 GLN 9 6.644 8.996 -15.232 57 H LEU 10 H LEU 10 7.976 9.536 -12.343 58 HA LEU 10 HA LEU 10 6.814 9.042 -9.762 59 HB2 LEU 10 HB2 LEU 10 6.817 11.241 -11.100 60 HB3 LEU 10 HB3 LEU 10 5.435 10.596 -11.983 61 HG LEU 10 HG LEU 10 4.991 12.222 -10.186 62 HD11 LEU 10 HD11 LEU 10 3.343 10.382 -10.845 63 HD12 LEU 10 HD12 LEU 10 3.074 11.337 -9.380 64 HD13 LEU 10 HD13 LEU 10 3.722 9.681 -9.259 65 HD21 LEU 10 HD21 LEU 10 5.693 11.978 -8.038 66 HD22 LEU 10 HD22 LEU 10 6.905 11.010 -8.775 67 HD23 LEU 10 HD23 LEU 10 5.514 10.202 -8.042 68 H ASP 11 H ASP 11 5.343 7.731 -9.134 69 HA ASP 11 HA ASP 11 4.347 5.608 -10.735 70 HB2 ASP 11 HB2 ASP 11 4.800 6.002 -8.100 71 HB3 ASP 11 HB3 ASP 11 3.110 6.426 -8.124 72 H SER 12 H SER 12 2.336 5.275 -11.702 73 HA SER 12 HA SER 12 0.826 7.517 -12.569 74 HB2 SER 12 HB2 SER 12 0.889 5.522 -13.821 75 HB3 SER 12 HB3 SER 12 0.121 4.590 -12.513 76 HG SER 12 HG SER 12 -1.010 6.595 -14.188 77 H GLU 13 H GLU 13 0.449 5.513 -9.721 78 HA GLU 13 HA GLU 13 -2.114 6.312 -8.810 79 HB2 GLU 13 HB2 GLU 13 0.441 5.428 -7.409 80 HB3 GLU 13 HB3 GLU 13 -1.048 5.714 -6.532 81 HG2 GLU 13 HG2 GLU 13 -0.716 3.731 -8.825 82 HG3 GLU 13 HG3 GLU 13 -0.633 3.310 -7.118 83 H TRP 14 H TRP 14 0.934 8.096 -8.626 84 HA TRP 14 HA TRP 14 -0.408 10.124 -6.914 85 HB2 TRP 14 HB2 TRP 14 2.475 10.402 -7.493 86 HB3 TRP 14 HB3 TRP 14 1.543 10.796 -6.055 87 HD1 TRP 14 HD1 TRP 14 4.124 8.595 -7.037 88 HE1 TRP 14 HE1 TRP 14 4.179 6.342 -5.775 89 HE3 TRP 14 HE3 TRP 14 -0.403 8.846 -4.672 90 HZ2 TRP 14 HZ2 TRP 14 2.456 4.823 -4.052 91 HZ3 TRP 14 HZ3 TRP 14 -1.171 6.998 -3.202 92 HH2 TRP 14 HH2 TRP 14 0.235 4.970 -2.902 93 H GLU 15 H GLU 15 1.056 9.725 -10.064 94 HA GLU 15 HA GLU 15 0.905 12.331 -11.167 95 HB2 GLU 15 HB2 GLU 15 1.881 10.598 -12.469 96 HB3 GLU 15 HB3 GLU 15 0.528 9.515 -12.212 97 HG2 GLU 15 HG2 GLU 15 0.663 10.310 -14.501 98 HG3 GLU 15 HG3 GLU 15 -0.871 10.672 -13.725 99 H LYS 16 H LYS 16 -1.567 9.803 -10.874 100 HA LYS 16 HA LYS 16 -3.677 11.341 -12.111 101 HB2 LYS 16 HB2 LYS 16 -5.210 9.649 -11.398 102 HB3 LYS 16 HB3 LYS 16 -3.728 8.931 -12.027 103 HG2 LYS 16 HG2 LYS 16 -3.903 7.600 -10.262 104 HG3 LYS 16 HG3 LYS 16 -3.090 8.924 -9.431 105 HD2 LYS 16 HD2 LYS 16 -5.264 9.763 -8.593 106 HD3 LYS 16 HD3 LYS 16 -6.132 8.534 -9.514 107 HE2 LYS 16 HE2 LYS 16 -4.072 7.904 -7.360 108 HE3 LYS 16 HE3 LYS 16 -5.796 8.037 -7.026 109 HZ1 LYS 16 HZ1 LYS 16 -4.769 5.723 -7.574 110 HZ2 LYS 16 HZ2 LYS 16 -4.858 6.184 -9.120 111 HZ3 LYS 16 HZ3 LYS 16 -6.233 6.103 -8.240 112 H LEU 17 H LEU 17 -2.626 11.197 -8.758 113 HA LEU 17 HA LEU 17 -4.886 12.604 -7.606 114 HB2 LEU 17 HB2 LEU 17 -1.999 12.308 -6.697 115 HB3 LEU 17 HB3 LEU 17 -3.252 13.027 -5.718 116 HG LEU 17 HG LEU 17 -3.460 10.192 -6.788 117 HD11 LEU 17 HD11 LEU 17 -1.459 10.671 -5.279 118 HD12 LEU 17 HD12 LEU 17 -2.599 9.421 -4.744 119 HD13 LEU 17 HD13 LEU 17 -2.629 11.050 -4.006 120 HD21 LEU 17 HD21 LEU 17 -5.617 11.047 -6.169 121 HD22 LEU 17 HD22 LEU 17 -4.957 11.785 -4.693 122 HD23 LEU 17 HD23 LEU 17 -5.032 10.008 -4.861 123 H VAL 18 H VAL 18 -1.568 13.694 -8.594 124 HA VAL 18 HA VAL 18 -2.178 16.448 -7.958 125 HB VAL 18 HB VAL 18 0.089 15.624 -7.994 126 HG11 VAL 18 HG11 VAL 18 1.284 15.374 -10.181 127 HG12 VAL 18 HG12 VAL 18 0.101 14.092 -9.822 128 HG13 VAL 18 HG13 VAL 18 -0.305 15.347 -10.976 129 HG21 VAL 18 HG21 VAL 18 1.150 17.479 -9.087 130 HG22 VAL 18 HG22 VAL 18 -0.274 17.803 -10.087 131 HG23 VAL 18 HG23 VAL 18 -0.354 18.047 -8.333 132 H ARG 19 H ARG 19 -2.301 14.741 -11.149 133 HA ARG 19 HA ARG 19 -3.294 16.945 -12.606 134 HB2 ARG 19 HB2 ARG 19 -2.452 14.545 -13.315 135 HB3 ARG 19 HB3 ARG 19 -4.155 14.077 -13.151 136 HG2 ARG 19 HG2 ARG 19 -4.740 15.907 -14.780 137 HG3 ARG 19 HG3 ARG 19 -3.015 16.340 -14.817 138 HD2 ARG 19 HD2 ARG 19 -3.542 15.141 -16.795 139 HD3 ARG 19 HD3 ARG 19 -2.416 14.228 -15.807 140 HE ARG 19 HE ARG 19 -5.355 13.674 -16.155 141 HH11 ARG 19 HH11 ARG 19 -2.853 10.750 -15.109 142 HH12 ARG 19 HH12 ARG 19 -2.202 12.368 -15.188 143 HH21 ARG 19 HH21 ARG 19 -6.055 11.591 -15.987 144 HH22 ARG 19 HH22 ARG 19 -4.955 10.331 -15.523 145 H ASP 20 H ASP 20 -5.139 14.513 -10.736 146 HA ASP 20 HA ASP 20 -7.753 15.517 -11.164 147 HB2 ASP 20 HB2 ASP 20 -6.312 13.956 -9.045 148 HB3 ASP 20 HB3 ASP 20 -7.811 14.710 -8.562 149 H ALA 21 H ALA 21 -5.280 16.616 -8.741 150 HA ALA 21 HA ALA 21 -7.099 18.496 -7.529 151 HB1 ALA 21 HB1 ALA 21 -4.902 19.584 -6.755 152 HB2 ALA 21 HB2 ALA 21 -5.240 17.924 -6.251 153 HB3 ALA 21 HB3 ALA 21 -4.075 18.242 -7.566 154 H MET 22 H MET 22 -4.698 18.827 -10.170 155 HA MET 22 HA MET 22 -5.086 21.596 -10.591 156 HB2 MET 22 HB2 MET 22 -4.336 19.519 -12.651 157 HB3 MET 22 HB3 MET 22 -4.203 21.269 -12.799 158 HG2 MET 22 HG2 MET 22 -2.358 19.391 -11.515 159 HG3 MET 22 HG3 MET 22 -2.091 20.921 -12.204 160 HE1 MET 22 HE1 MET 22 -2.193 23.031 -11.304 161 HE2 MET 22 HE2 MET 22 -3.590 23.229 -10.222 162 HE3 MET 22 HE3 MET 22 -1.930 23.455 -9.604 163 H THR 23 H THR 23 -6.893 18.815 -12.066 164 HA THR 23 HA THR 23 -8.661 20.577 -13.561 165 HB THR 23 HB THR 23 -9.909 18.538 -14.117 166 HG1 THR 23 HG1 THR 23 -9.692 17.247 -12.370 167 HG21 THR 23 HG21 THR 23 -7.945 19.189 -15.457 168 HG22 THR 23 HG22 THR 23 -8.167 17.430 -15.407 169 HG23 THR 23 HG23 THR 23 -6.901 18.192 -14.422 170 H SER 24 H SER 24 -9.014 18.862 -10.432 171 HA SER 24 HA SER 24 -11.841 19.515 -10.323 172 HB2 SER 24 HB2 SER 24 -10.722 17.373 -9.466 173 HB3 SER 24 HB3 SER 24 -10.291 18.297 -8.022 174 HG SER 24 HG SER 24 -12.534 18.858 -7.863 175 H GLY 25 H GLY 25 -9.389 21.570 -9.924 176 HA2 GLY 25 HA2 GLY 25 -9.420 23.756 -9.195 177 HA3 GLY 25 HA3 GLY 25 -11.060 23.514 -8.590 178 H VAL 26 H VAL 26 -8.581 21.406 -7.401 179 HA VAL 26 HA VAL 26 -8.921 22.136 -4.609 180 HB VAL 26 HB VAL 26 -7.153 20.280 -6.174 181 HG11 VAL 26 HG11 VAL 26 -5.610 20.742 -4.493 182 HG12 VAL 26 HG12 VAL 26 -6.847 20.780 -3.236 183 HG13 VAL 26 HG13 VAL 26 -6.425 19.243 -4.018 184 HG21 VAL 26 HG21 VAL 26 -9.468 19.626 -5.897 185 HG22 VAL 26 HG22 VAL 26 -8.486 18.611 -4.836 186 HG23 VAL 26 HG23 VAL 26 -9.402 19.959 -4.160 187 H SER 27 H SER 27 -7.481 23.051 -3.189 188 HA SER 27 HA SER 27 -6.115 25.364 -3.987 189 HB2 SER 27 HB2 SER 27 -5.814 23.757 -1.441 190 HB3 SER 27 HB3 SER 27 -5.284 25.434 -1.691 191 HG SER 27 HG SER 27 -7.736 24.451 -1.092 192 H LYS 28 H LYS 28 -4.536 25.017 -5.547 193 HA LYS 28 HA LYS 28 -2.457 23.112 -5.451 194 HB2 LYS 28 HB2 LYS 28 -1.394 24.396 -7.226 195 HB3 LYS 28 HB3 LYS 28 -3.130 24.246 -7.480 196 HG2 LYS 28 HG2 LYS 28 -3.421 26.592 -6.581 197 HG3 LYS 28 HG3 LYS 28 -1.654 26.721 -6.477 198 HD2 LYS 28 HD2 LYS 28 -1.485 26.349 -8.930 199 HD3 LYS 28 HD3 LYS 28 -3.230 26.118 -9.020 200 HE2 LYS 28 HE2 LYS 28 -2.803 28.327 -9.780 201 HE3 LYS 28 HE3 LYS 28 -3.578 28.454 -8.201 202 HZ1 LYS 28 HZ1 LYS 28 -1.364 28.875 -7.237 203 HZ2 LYS 28 HZ2 LYS 28 -1.684 29.964 -8.406 204 HZ3 LYS 28 HZ3 LYS 28 -0.658 28.737 -8.709 205 H LYS 29 H LYS 29 -2.592 26.206 -3.813 206 HA LYS 29 HA LYS 29 0.135 26.357 -2.918 207 HB2 LYS 29 HB2 LYS 29 -0.760 27.863 -1.206 208 HB3 LYS 29 HB3 LYS 29 -1.368 28.240 -2.818 209 HG2 LYS 29 HG2 LYS 29 -3.352 26.542 -1.840 210 HG3 LYS 29 HG3 LYS 29 -2.812 27.346 -0.367 211 HD2 LYS 29 HD2 LYS 29 -3.165 29.561 -1.515 212 HD3 LYS 29 HD3 LYS 29 -3.755 28.677 -2.945 213 HE2 LYS 29 HE2 LYS 29 -5.584 27.689 -1.572 214 HE3 LYS 29 HE3 LYS 29 -4.987 28.559 -0.151 215 HZ1 LYS 29 HZ1 LYS 29 -5.460 30.650 -1.313 216 HZ2 LYS 29 HZ2 LYS 29 -6.816 29.750 -1.214 217 HZ3 LYS 29 HZ3 LYS 29 -6.010 29.850 -2.628 218 H GLN 30 H GLN 30 -2.596 24.438 -1.696 219 HA GLN 30 HA GLN 30 -1.390 23.828 0.856 220 HB2 GLN 30 HB2 GLN 30 -3.551 22.412 -0.768 221 HB3 GLN 30 HB3 GLN 30 -3.048 21.901 0.830 222 HG2 GLN 30 HG2 GLN 30 -4.198 24.646 0.170 223 HG3 GLN 30 HG3 GLN 30 -5.133 23.294 0.810 224 HE21 GLN 30 HE21 GLN 30 -4.534 26.054 1.956 225 HE22 GLN 30 HE22 GLN 30 -3.843 25.690 3.528 226 H PHE 31 H PHE 31 -1.131 22.360 -2.368 227 HA PHE 31 HA PHE 31 0.053 19.852 -1.703 228 HB2 PHE 31 HB2 PHE 31 -0.048 21.605 -4.090 229 HB3 PHE 31 HB3 PHE 31 1.405 20.646 -3.966 230 HD1 PHE 31 HD1 PHE 31 1.461 18.541 -4.893 231 HD2 PHE 31 HD2 PHE 31 -2.342 20.170 -3.632 232 HE1 PHE 31 HE1 PHE 31 0.283 16.607 -5.898 233 HE2 PHE 31 HE2 PHE 31 -3.488 18.248 -4.627 234 HZ PHE 31 HZ PHE 31 -2.177 16.428 -5.737 235 H ARG 32 H ARG 32 1.807 22.869 -2.482 236 HA ARG 32 HA ARG 32 4.370 21.846 -1.780 237 HB2 ARG 32 HB2 ARG 32 4.062 23.790 -3.251 238 HB3 ARG 32 HB3 ARG 32 3.189 24.658 -1.999 239 HG2 ARG 32 HG2 ARG 32 5.411 25.597 -2.210 240 HG3 ARG 32 HG3 ARG 32 5.218 24.840 -0.646 241 HD2 ARG 32 HD2 ARG 32 6.366 22.752 -1.765 242 HD3 ARG 32 HD3 ARG 32 6.885 23.899 -2.996 243 HE ARG 32 HE ARG 32 7.795 23.655 -0.203 244 HH11 ARG 32 HH11 ARG 32 9.310 24.733 0.590 245 HH12 ARG 32 HH12 ARG 32 10.031 26.139 -0.203 246 HH21 ARG 32 HH21 ARG 32 7.816 25.968 -2.868 247 HH22 ARG 32 HH22 ARG 32 9.164 26.819 -2.167 248 H GLU 33 H GLU 33 2.186 23.850 0.210 249 HA GLU 33 HA GLU 33 4.032 23.932 2.425 250 HB2 GLU 33 HB2 GLU 33 1.012 24.305 2.394 251 HB3 GLU 33 HB3 GLU 33 2.070 24.693 3.750 252 HG2 GLU 33 HG2 GLU 33 2.087 26.031 1.024 253 HG3 GLU 33 HG3 GLU 33 1.456 26.698 2.529 254 H PHE 34 H PHE 34 1.293 21.648 1.763 255 HA PHE 34 HA PHE 34 1.624 20.182 4.182 256 HB2 PHE 34 HB2 PHE 34 -0.342 20.187 2.535 257 HB3 PHE 34 HB3 PHE 34 0.572 19.028 1.579 258 HD1 PHE 34 HD1 PHE 34 1.155 16.708 2.734 259 HD2 PHE 34 HD2 PHE 34 -1.558 19.623 4.433 260 HE1 PHE 34 HE1 PHE 34 0.293 15.025 4.280 261 HE2 PHE 34 HE2 PHE 34 -2.491 17.872 5.916 262 HZ PHE 34 HZ PHE 34 -1.576 15.565 5.846 263 H LEU 35 H LEU 35 3.129 19.819 0.975 264 HA LEU 35 HA LEU 35 4.530 17.408 1.291 265 HB2 LEU 35 HB2 LEU 35 4.323 19.239 -0.679 266 HB3 LEU 35 HB3 LEU 35 5.811 19.824 0.002 267 HG LEU 35 HG LEU 35 5.177 17.366 -1.580 268 HD11 LEU 35 HD11 LEU 35 7.210 18.070 -2.717 269 HD12 LEU 35 HD12 LEU 35 7.509 19.319 -1.490 270 HD13 LEU 35 HD13 LEU 35 6.089 19.415 -2.552 271 HD21 LEU 35 HD21 LEU 35 6.254 16.254 0.257 272 HD22 LEU 35 HD22 LEU 35 7.474 17.536 0.398 273 HD23 LEU 35 HD23 LEU 35 7.474 16.459 -1.005 274 H ASP 36 H ASP 36 5.704 20.738 2.017 275 HA ASP 36 HA ASP 36 8.158 19.853 3.215 276 HB2 ASP 36 HB2 ASP 36 6.747 22.522 3.277 277 HB3 ASP 36 HB3 ASP 36 8.335 22.222 3.985 278 H TYR 37 H TYR 37 4.991 20.694 4.656 279 HA TYR 37 HA TYR 37 5.720 20.379 7.391 280 HB2 TYR 37 HB2 TYR 37 3.651 21.242 7.186 281 HB3 TYR 37 HB3 TYR 37 3.234 20.283 5.782 282 HD1 TYR 37 HD1 TYR 37 4.094 19.358 9.365 283 HD2 TYR 37 HD2 TYR 37 1.287 19.130 6.093 284 HE1 TYR 37 HE1 TYR 37 2.676 17.768 10.669 285 HE2 TYR 37 HE2 TYR 37 -0.129 17.587 7.421 286 HH TYR 37 HH TYR 37 0.892 16.293 10.566 287 H GLN 38 H GLN 38 4.476 17.768 5.134 288 HA GLN 38 HA GLN 38 5.013 15.733 7.100 289 HB2 GLN 38 HB2 GLN 38 4.780 15.504 4.079 290 HB3 GLN 38 HB3 GLN 38 4.985 14.133 5.167 291 HG2 GLN 38 HG2 GLN 38 2.610 16.001 5.081 292 HG3 GLN 38 HG3 GLN 38 2.672 14.304 4.565 293 HE21 GLN 38 HE21 GLN 38 0.826 15.480 6.507 294 HE22 GLN 38 HE22 GLN 38 1.131 14.634 8.012 295 H LYS 39 H LYS 39 7.141 17.045 4.510 296 HA LYS 39 HA LYS 39 9.290 15.192 4.731 297 HB2 LYS 39 HB2 LYS 39 9.006 18.110 4.021 298 HB3 LYS 39 HB3 LYS 39 10.617 17.488 4.291 299 HG2 LYS 39 HG2 LYS 39 10.497 15.987 2.480 300 HG3 LYS 39 HG3 LYS 39 8.765 16.226 2.229 301 HD2 LYS 39 HD2 LYS 39 9.060 18.499 1.573 302 HD3 LYS 39 HD3 LYS 39 10.759 18.521 2.071 303 HE2 LYS 39 HE2 LYS 39 11.349 17.011 0.226 304 HE3 LYS 39 HE3 LYS 39 9.653 16.885 -0.244 305 HZ1 LYS 39 HZ1 LYS 39 9.713 19.383 -0.528 306 HZ2 LYS 39 HZ2 LYS 39 10.686 18.616 -1.605 307 HZ3 LYS 39 HZ3 LYS 39 11.317 19.355 -0.295 308 H TRP 40 H TRP 40 8.684 18.191 6.635 309 HA TRP 40 HA TRP 40 10.913 17.602 8.389 310 HB2 TRP 40 HB2 TRP 40 8.972 19.780 8.063 311 HB3 TRP 40 HB3 TRP 40 9.552 19.532 9.705 312 HD1 TRP 40 HD1 TRP 40 11.777 20.565 10.308 313 HE1 TRP 40 HE1 TRP 40 13.812 21.531 9.073 314 HE3 TRP 40 HE3 TRP 40 10.318 19.673 5.476 315 HZ2 TRP 40 HZ2 TRP 40 14.701 21.860 6.362 316 HZ3 TRP 40 HZ3 TRP 40 11.775 20.347 3.582 317 HH2 TRP 40 HH2 TRP 40 13.970 21.430 4.010 318 H ARG 41 H ARG 41 7.425 16.856 8.683 319 HA ARG 41 HA ARG 41 7.737 16.076 11.493 320 HB2 ARG 41 HB2 ARG 41 5.535 16.569 9.769 321 HB3 ARG 41 HB3 ARG 41 5.486 14.837 9.977 322 HG2 ARG 41 HG2 ARG 41 4.088 15.706 11.684 323 HG3 ARG 41 HG3 ARG 41 5.575 15.298 12.528 324 HD2 ARG 41 HD2 ARG 41 6.295 17.760 12.310 325 HD3 ARG 41 HD3 ARG 41 4.746 18.075 11.541 326 HE ARG 41 HE ARG 41 4.100 16.768 13.919 327 HH11 ARG 41 HH11 ARG 41 5.806 19.810 13.270 328 HH12 ARG 41 HH12 ARG 41 5.150 20.503 14.757 329 HH21 ARG 41 HH21 ARG 41 3.885 19.499 15.993 330 HH22 ARG 41 HH22 ARG 41 3.300 17.851 15.676 331 H LYS 42 H LYS 42 7.702 14.322 8.445 332 HA LYS 42 HA LYS 42 8.036 11.655 9.618 333 HB2 LYS 42 HB2 LYS 42 8.193 12.653 6.731 334 HB3 LYS 42 HB3 LYS 42 8.220 10.967 7.225 335 HG2 LYS 42 HG2 LYS 42 5.879 12.893 7.498 336 HG3 LYS 42 HG3 LYS 42 6.053 11.551 6.384 337 HD2 LYS 42 HD2 LYS 42 4.720 10.540 7.914 338 HD3 LYS 42 HD3 LYS 42 6.277 10.116 8.629 339 HE2 LYS 42 HE2 LYS 42 6.049 12.122 10.148 340 HE3 LYS 42 HE3 LYS 42 4.492 12.487 9.391 341 HZ1 LYS 42 HZ1 LYS 42 4.203 11.233 11.454 342 HZ2 LYS 42 HZ2 LYS 42 5.109 9.995 10.896 343 HZ3 LYS 42 HZ3 LYS 42 3.673 10.339 10.195 344 H SER 43 H SER 43 10.196 13.771 7.653 345 HA SER 43 HA SER 43 12.442 11.893 8.262 346 HB2 SER 43 HB2 SER 43 12.167 13.940 6.039 347 HB3 SER 43 HB3 SER 43 13.487 12.778 6.255 348 HG SER 43 HG SER 43 11.742 12.144 4.762 349 H GLN 44 H GLN 44 11.500 15.258 8.625 350 HA GLN 44 HA GLN 44 12.426 17.037 9.615 351 HB2 GLN 44 HB2 GLN 44 11.965 15.235 11.421 352 HB3 GLN 44 HB3 GLN 44 13.714 15.286 11.680 353 HG2 GLN 44 HG2 GLN 44 11.804 17.692 11.739 354 HG3 GLN 44 HG3 GLN 44 12.321 16.822 13.148 355 HE21 GLN 44 HE21 GLN 44 13.257 19.057 10.554 356 HE22 GLN 44 HE22 GLN 44 14.782 19.547 11.279 357 H LYS 45 H LYS 45 13.576 17.129 7.588 358 HA LYS 45 HA LYS 45 16.340 16.549 7.261 359 HB2 LYS 45 HB2 LYS 45 14.519 18.550 5.874 360 HB3 LYS 45 HB3 LYS 45 16.065 17.995 5.234 361 HG2 LYS 45 HG2 LYS 45 15.252 15.819 4.752 362 HG3 LYS 45 HG3 LYS 45 13.904 15.948 5.872 363 HD2 LYS 45 HD2 LYS 45 12.882 16.133 3.788 364 HD3 LYS 45 HD3 LYS 45 12.918 17.755 4.456 365 HE2 LYS 45 HE2 LYS 45 13.515 18.054 2.201 366 HE3 LYS 45 HE3 LYS 45 15.051 18.154 3.064 367 HZ1 LYS 45 HZ1 LYS 45 15.191 16.707 1.097 368 HZ2 LYS 45 HZ2 LYS 45 14.001 15.735 1.668 369 HZ3 LYS 45 HZ3 LYS 45 15.447 15.811 2.437 370 H GLU 46 H GLU 46 18.074 18.021 6.897 371 HA GLU 46 HA GLU 46 18.032 20.633 8.311 372 HB2 GLU 46 HB2 GLU 46 20.031 18.402 8.859 373 HB3 GLU 46 HB3 GLU 46 20.180 20.072 9.420 374 HG2 GLU 46 HG2 GLU 46 18.002 19.809 10.649 375 HG3 GLU 46 HG3 GLU 46 18.022 18.089 10.236 376 H GLU 47 H GLU 47 19.770 22.040 7.740 377 HA GLU 47 HA GLU 47 21.579 21.379 5.533 378 HB2 GLU 47 HB2 GLU 47 20.832 23.121 4.046 379 HB3 GLU 47 HB3 GLU 47 19.532 21.965 4.324 380 HG2 GLU 47 HG2 GLU 47 18.423 23.545 5.869 381 HG3 GLU 47 HG3 GLU 47 19.770 24.676 5.705 382 H1 GLY 1 H1 GLY 1 -16.435 22.956 -20.425 383 H2 GLY 1 H2 GLY 1 -17.026 23.647 -21.788 384 H3 GLY 1 H3 GLY 1 -15.500 23.981 -21.295 385 HA2 GLY 1 HA2 GLY 1 -16.473 21.358 -22.232 386 HA3 GLY 1 HA3 GLY 1 -15.439 22.463 -23.156 387 H SER 2 H SER 2 -13.743 20.959 -23.328 388 HA SER 2 HA SER 2 -12.555 19.569 -21.110 389 HB2 SER 2 HB2 SER 2 -12.334 18.787 -23.404 390 HB3 SER 2 HB3 SER 2 -11.446 20.255 -23.855 391 HG SER 2 HG SER 2 -10.168 18.311 -23.325 392 H HIS 3 H HIS 3 -10.605 19.891 -20.044 393 HA HIS 3 HA HIS 3 -9.680 22.594 -19.487 394 HB2 HIS 3 HB2 HIS 3 -8.446 19.875 -18.881 395 HB3 HIS 3 HB3 HIS 3 -7.935 21.415 -18.188 396 HD1 HIS 3 HD1 HIS 3 -9.868 22.631 -16.534 397 HD2 HIS 3 HD2 HIS 3 -10.404 18.606 -17.646 398 HE1 HIS 3 HE1 HIS 3 -11.601 21.669 -14.927 399 H MET 4 H MET 4 -8.856 20.161 -21.835 400 HA MET 4 HA MET 4 -7.390 19.875 -23.477 401 HB2 MET 4 HB2 MET 4 -7.060 22.884 -23.400 402 HB3 MET 4 HB3 MET 4 -6.554 21.814 -24.711 403 HG2 MET 4 HG2 MET 4 -8.886 21.058 -25.016 404 HG3 MET 4 HG3 MET 4 -9.423 22.148 -23.741 405 HE1 MET 4 HE1 MET 4 -9.681 24.687 -23.914 406 HE2 MET 4 HE2 MET 4 -7.937 24.893 -24.198 407 HE3 MET 4 HE3 MET 4 -9.111 25.682 -25.270 408 H GLU 5 H GLU 5 -5.766 22.155 -21.234 409 HA GLU 5 HA GLU 5 -3.092 21.231 -21.720 410 HB2 GLU 5 HB2 GLU 5 -3.673 23.418 -20.725 411 HB3 GLU 5 HB3 GLU 5 -4.430 22.615 -19.363 412 HG2 GLU 5 HG2 GLU 5 -2.321 23.528 -18.682 413 HG3 GLU 5 HG3 GLU 5 -2.263 21.778 -18.575 414 H TYR 6 H TYR 6 -5.620 20.053 -19.758 415 HA TYR 6 HA TYR 6 -3.877 18.130 -18.306 416 HB2 TYR 6 HB2 TYR 6 -6.520 19.409 -17.555 417 HB3 TYR 6 HB3 TYR 6 -5.856 18.019 -16.713 418 HD1 TYR 6 HD1 TYR 6 -3.725 18.051 -15.682 419 HD2 TYR 6 HD2 TYR 6 -5.431 21.654 -17.247 420 HE1 TYR 6 HE1 TYR 6 -2.142 19.363 -14.266 421 HE2 TYR 6 HE2 TYR 6 -3.749 23.002 -15.990 422 HH TYR 6 HH TYR 6 -1.937 22.965 -14.643 423 H ASP 7 H ASP 7 -4.991 17.719 -21.053 424 HA ASP 7 HA ASP 7 -6.634 15.319 -20.820 425 HB2 ASP 7 HB2 ASP 7 -6.725 16.899 -22.746 426 HB3 ASP 7 HB3 ASP 7 -5.089 16.420 -23.197 427 H GLY 8 H GLY 8 -4.740 14.840 -19.071 428 HA2 GLY 8 HA2 GLY 8 -3.567 12.854 -18.519 429 HA3 GLY 8 HA3 GLY 8 -3.238 12.538 -20.217 430 H GLN 9 H GLN 9 -2.525 15.746 -19.135 431 HA GLN 9 HA GLN 9 0.368 15.161 -18.727 432 HB2 GLN 9 HB2 GLN 9 -0.080 15.946 -20.988 433 HB3 GLN 9 HB3 GLN 9 -0.888 17.379 -20.403 434 HG2 GLN 9 HG2 GLN 9 1.986 16.783 -19.589 435 HG3 GLN 9 HG3 GLN 9 1.639 17.350 -21.214 436 HE21 GLN 9 HE21 GLN 9 -0.677 19.152 -19.673 437 HE22 GLN 9 HE22 GLN 9 0.352 20.538 -19.369 438 H LEU 10 H LEU 10 1.506 16.697 -17.391 439 HA LEU 10 HA LEU 10 -0.191 18.239 -15.498 440 HB2 LEU 10 HB2 LEU 10 0.300 15.883 -14.754 441 HB3 LEU 10 HB3 LEU 10 2.018 16.279 -14.729 442 HG LEU 10 HG LEU 10 0.847 16.078 -12.620 443 HD11 LEU 10 HD11 LEU 10 2.850 17.663 -13.001 444 HD12 LEU 10 HD12 LEU 10 1.964 17.613 -11.470 445 HD13 LEU 10 HD13 LEU 10 1.665 18.931 -12.631 446 HD21 LEU 10 HD21 LEU 10 -0.940 17.453 -11.971 447 HD22 LEU 10 HD22 LEU 10 -1.259 17.197 -13.665 448 HD23 LEU 10 HD23 LEU 10 -0.509 18.723 -13.116 449 H ASP 11 H ASP 11 0.635 20.100 -14.748 450 HA ASP 11 HA ASP 11 2.769 21.358 -16.102 451 HB2 ASP 11 HB2 ASP 11 0.664 22.203 -14.593 452 HB3 ASP 11 HB3 ASP 11 1.942 22.322 -13.402 453 H SER 12 H SER 12 4.903 21.841 -15.544 454 HA SER 12 HA SER 12 6.330 19.879 -14.096 455 HB2 SER 12 HB2 SER 12 8.256 21.250 -14.508 456 HB3 SER 12 HB3 SER 12 7.175 21.232 -15.926 457 HG SER 12 HG SER 12 7.949 23.347 -15.465 458 H GLU 13 H GLU 13 5.091 22.963 -13.006 459 HA GLU 13 HA GLU 13 6.419 23.227 -10.518 460 HB2 GLU 13 HB2 GLU 13 3.732 24.150 -11.598 461 HB3 GLU 13 HB3 GLU 13 4.302 24.620 -10.008 462 HG2 GLU 13 HG2 GLU 13 5.756 25.144 -12.638 463 HG3 GLU 13 HG3 GLU 13 4.749 26.314 -11.794 464 H TRP 14 H TRP 14 3.668 21.181 -11.339 465 HA TRP 14 HA TRP 14 3.308 20.519 -8.459 466 HB2 TRP 14 HB2 TRP 14 1.402 19.412 -10.414 467 HB3 TRP 14 HB3 TRP 14 1.161 20.010 -8.781 468 HD1 TRP 14 HD1 TRP 14 0.180 20.792 -12.106 469 HE1 TRP 14 HE1 TRP 14 -0.227 23.296 -12.536 470 HE3 TRP 14 HE3 TRP 14 2.143 22.702 -7.781 471 HZ2 TRP 14 HZ2 TRP 14 0.297 25.812 -11.209 472 HZ3 TRP 14 HZ3 TRP 14 2.162 25.157 -7.374 473 HH2 TRP 14 HH2 TRP 14 1.272 26.719 -9.089 474 H GLU 15 H GLU 15 4.210 19.093 -11.534 475 HA GLU 15 HA GLU 15 4.569 16.370 -10.824 476 HB2 GLU 15 HB2 GLU 15 4.941 16.950 -13.089 477 HB3 GLU 15 HB3 GLU 15 6.008 18.294 -12.661 478 HG2 GLU 15 HG2 GLU 15 7.734 16.736 -11.904 479 HG3 GLU 15 HG3 GLU 15 6.703 15.358 -12.328 480 H LYS 16 H LYS 16 6.738 19.173 -10.400 481 HA LYS 16 HA LYS 16 8.831 17.656 -9.123 482 HB2 LYS 16 HB2 LYS 16 9.842 19.753 -8.520 483 HB3 LYS 16 HB3 LYS 16 9.286 19.732 -10.189 484 HG2 LYS 16 HG2 LYS 16 8.466 21.740 -9.759 485 HG3 LYS 16 HG3 LYS 16 7.119 20.877 -9.023 486 HD2 LYS 16 HD2 LYS 16 8.213 21.079 -6.791 487 HD3 LYS 16 HD3 LYS 16 9.601 21.883 -7.557 488 HE2 LYS 16 HE2 LYS 16 7.953 23.627 -8.449 489 HE3 LYS 16 HE3 LYS 16 6.735 22.914 -7.391 490 HZ1 LYS 16 HZ1 LYS 16 8.225 23.426 -5.501 491 HZ2 LYS 16 HZ2 LYS 16 7.838 24.788 -6.335 492 HZ3 LYS 16 HZ3 LYS 16 9.310 24.114 -6.513 493 H LEU 17 H LEU 17 5.986 19.146 -7.744 494 HA LEU 17 HA LEU 17 6.708 18.815 -4.958 495 HB2 LEU 17 HB2 LEU 17 3.989 19.044 -6.312 496 HB3 LEU 17 HB3 LEU 17 4.230 19.175 -4.591 497 HG LEU 17 HG LEU 17 5.554 21.052 -6.578 498 HD11 LEU 17 HD11 LEU 17 3.162 21.709 -4.844 499 HD12 LEU 17 HD12 LEU 17 2.966 21.068 -6.497 500 HD13 LEU 17 HD13 LEU 17 3.838 22.594 -6.223 501 HD21 LEU 17 HD21 LEU 17 5.747 22.511 -4.573 502 HD22 LEU 17 HD22 LEU 17 6.669 21.003 -4.387 503 HD23 LEU 17 HD23 LEU 17 5.084 21.182 -3.592 504 H VAL 18 H VAL 18 4.670 16.792 -7.183 505 HA VAL 18 HA VAL 18 4.257 14.789 -5.131 506 HB VAL 18 HB VAL 18 2.760 15.006 -7.027 507 HG11 VAL 18 HG11 VAL 18 3.433 13.878 -9.201 508 HG12 VAL 18 HG12 VAL 18 4.130 15.487 -8.864 509 HG13 VAL 18 HG13 VAL 18 5.128 14.055 -8.684 510 HG21 VAL 18 HG21 VAL 18 2.426 12.671 -7.506 511 HG22 VAL 18 HG22 VAL 18 4.039 12.238 -6.917 512 HG23 VAL 18 HG23 VAL 18 2.837 12.887 -5.791 513 H ARG 19 H ARG 19 6.749 14.989 -7.723 514 HA ARG 19 HA ARG 19 7.974 12.441 -7.116 515 HB2 ARG 19 HB2 ARG 19 9.111 15.008 -8.330 516 HB3 ARG 19 HB3 ARG 19 9.937 13.414 -8.290 517 HG2 ARG 19 HG2 ARG 19 7.883 12.615 -9.627 518 HG3 ARG 19 HG3 ARG 19 7.557 14.274 -9.980 519 HD2 ARG 19 HD2 ARG 19 10.292 13.047 -10.516 520 HD3 ARG 19 HD3 ARG 19 8.932 12.803 -11.598 521 HE ARG 19 HE ARG 19 9.125 14.959 -12.398 522 HH11 ARG 19 HH11 ARG 19 11.266 14.817 -9.611 523 HH12 ARG 19 HH12 ARG 19 12.013 16.327 -10.046 524 HH21 ARG 19 HH21 ARG 19 10.088 16.726 -12.889 525 HH22 ARG 19 HH22 ARG 19 11.360 17.416 -11.886 526 H ASP 20 H ASP 20 8.602 15.748 -5.887 527 HA ASP 20 HA ASP 20 10.724 15.153 -4.083 528 HB2 ASP 20 HB2 ASP 20 8.535 17.189 -4.316 529 HB3 ASP 20 HB3 ASP 20 9.259 16.994 -2.732 530 H ALA 21 H ALA 21 7.130 14.978 -3.517 531 HA ALA 21 HA ALA 21 7.413 14.111 -0.812 532 HB1 ALA 21 HB1 ALA 21 5.341 15.000 -1.735 533 HB2 ALA 21 HB2 ALA 21 5.175 13.578 -2.804 534 HB3 ALA 21 HB3 ALA 21 5.072 13.384 -1.047 535 H MET 22 H MET 22 7.127 12.172 -3.834 536 HA MET 22 HA MET 22 7.180 9.652 -2.564 537 HB2 MET 22 HB2 MET 22 8.276 10.365 -5.309 538 HB3 MET 22 HB3 MET 22 7.976 8.746 -4.687 539 HG2 MET 22 HG2 MET 22 6.115 10.557 -5.977 540 HG3 MET 22 HG3 MET 22 6.083 8.884 -5.789 541 HE1 MET 22 HE1 MET 22 3.793 8.078 -3.034 542 HE2 MET 22 HE2 MET 22 5.164 7.600 -4.043 543 HE3 MET 22 HE3 MET 22 5.458 8.305 -2.434 544 H THR 23 H THR 23 9.920 11.637 -3.731 545 HA THR 23 HA THR 23 11.904 9.620 -3.002 546 HB THR 23 HB THR 23 13.565 11.332 -3.679 547 HG1 THR 23 HG1 THR 23 11.348 12.839 -4.544 548 HG21 THR 23 HG21 THR 23 11.328 10.826 -5.682 549 HG22 THR 23 HG22 THR 23 12.707 9.767 -5.335 550 HG23 THR 23 HG23 THR 23 12.980 11.357 -6.070 551 H SER 24 H SER 24 10.747 12.594 -1.425 552 HA SER 24 HA SER 24 12.906 12.502 0.538 553 HB2 SER 24 HB2 SER 24 11.820 14.597 -0.455 554 HB3 SER 24 HB3 SER 24 10.516 14.319 0.710 555 HG SER 24 HG SER 24 12.149 14.273 2.346 556 H GLY 25 H GLY 25 10.322 10.525 0.370 557 HA2 GLY 25 HA2 GLY 25 9.688 8.920 1.908 558 HA3 GLY 25 HA3 GLY 25 10.586 9.760 3.172 559 H VAL 26 H VAL 26 8.114 11.484 1.357 560 HA VAL 26 HA VAL 26 6.553 12.026 3.777 561 HB VAL 26 HB VAL 26 6.382 12.883 0.888 562 HG11 VAL 26 HG11 VAL 26 4.623 14.515 1.557 563 HG12 VAL 26 HG12 VAL 26 4.078 12.844 1.373 564 HG13 VAL 26 HG13 VAL 26 4.325 13.513 2.992 565 HG21 VAL 26 HG21 VAL 26 6.790 15.107 2.027 566 HG22 VAL 26 HG22 VAL 26 6.946 14.233 3.551 567 HG23 VAL 26 HG23 VAL 26 8.098 13.933 2.238 568 H SER 27 H SER 27 4.430 11.516 4.198 569 HA SER 27 HA SER 27 3.557 8.913 3.721 570 HB2 SER 27 HB2 SER 27 1.948 11.339 4.535 571 HB3 SER 27 HB3 SER 27 1.436 9.647 4.720 572 HG SER 27 HG SER 27 3.118 9.316 6.161 573 H LYS 28 H LYS 28 3.300 8.223 1.664 574 HA LYS 28 HA LYS 28 2.188 9.572 -0.525 575 HB2 LYS 28 HB2 LYS 28 2.086 7.399 -1.610 576 HB3 LYS 28 HB3 LYS 28 3.569 7.558 -0.670 577 HG2 LYS 28 HG2 LYS 28 2.460 6.188 1.169 578 HG3 LYS 28 HG3 LYS 28 1.099 5.924 0.061 579 HD2 LYS 28 HD2 LYS 28 2.656 4.871 -1.570 580 HD3 LYS 28 HD3 LYS 28 4.002 5.127 -0.441 581 HE2 LYS 28 HE2 LYS 28 2.830 3.734 1.257 582 HE3 LYS 28 HE3 LYS 28 1.495 3.475 0.125 583 HZ1 LYS 28 HZ1 LYS 28 3.061 1.619 0.087 584 HZ2 LYS 28 HZ2 LYS 28 4.301 2.595 -0.320 585 HZ3 LYS 28 HZ3 LYS 28 3.069 2.354 -1.368 586 H LYS 29 H LYS 29 0.480 7.698 1.932 587 HA LYS 29 HA LYS 29 -2.128 7.723 0.752 588 HB2 LYS 29 HB2 LYS 29 -2.894 7.154 3.006 589 HB3 LYS 29 HB3 LYS 29 -1.482 6.210 2.525 590 HG2 LYS 29 HG2 LYS 29 -0.288 8.350 3.838 591 HG3 LYS 29 HG3 LYS 29 -1.803 8.219 4.717 592 HD2 LYS 29 HD2 LYS 29 0.216 5.985 4.240 593 HD3 LYS 29 HD3 LYS 29 0.039 6.910 5.741 594 HE2 LYS 29 HE2 LYS 29 -2.287 6.067 6.004 595 HE3 LYS 29 HE3 LYS 29 -2.122 5.126 4.517 596 HZ1 LYS 29 HZ1 LYS 29 -0.480 4.737 6.966 597 HZ2 LYS 29 HZ2 LYS 29 -0.326 3.868 5.589 598 HZ3 LYS 29 HZ3 LYS 29 -1.690 3.760 6.476 599 H GLN 30 H GLN 30 -0.446 10.202 2.658 600 HA GLN 30 HA GLN 30 -2.821 11.713 3.305 601 HB2 GLN 30 HB2 GLN 30 0.112 12.511 3.119 602 HB3 GLN 30 HB3 GLN 30 -1.161 13.606 3.639 603 HG2 GLN 30 HG2 GLN 30 -0.424 10.996 5.035 604 HG3 GLN 30 HG3 GLN 30 0.114 12.612 5.506 605 HE21 GLN 30 HE21 GLN 30 -2.763 10.451 5.351 606 HE22 GLN 30 HE22 GLN 30 -3.681 11.415 6.495 607 H PHE 31 H PHE 31 -0.682 11.702 0.460 608 HA PHE 31 HA PHE 31 -1.741 14.085 -0.779 609 HB2 PHE 31 HB2 PHE 31 -0.241 11.666 -1.709 610 HB3 PHE 31 HB3 PHE 31 -1.184 12.524 -2.905 611 HD1 PHE 31 HD1 PHE 31 -0.085 14.073 -4.173 612 HD2 PHE 31 HD2 PHE 31 1.190 13.508 -0.087 613 HE1 PHE 31 HE1 PHE 31 1.780 15.689 -4.511 614 HE2 PHE 31 HE2 PHE 31 2.972 15.191 -0.412 615 HZ PHE 31 HZ PHE 31 3.272 16.284 -2.633 616 H ARG 32 H ARG 32 -2.867 10.663 -1.001 617 HA ARG 32 HA ARG 32 -5.122 11.282 -2.662 618 HB2 ARG 32 HB2 ARG 32 -4.270 9.019 -2.563 619 HB3 ARG 32 HB3 ARG 32 -4.516 8.940 -0.823 620 HG2 ARG 32 HG2 ARG 32 -6.239 7.654 -1.986 621 HG3 ARG 32 HG3 ARG 32 -6.943 8.986 -1.096 622 HD2 ARG 32 HD2 ARG 32 -6.888 10.283 -3.374 623 HD3 ARG 32 HD3 ARG 32 -6.626 8.719 -4.120 624 HE ARG 32 HE ARG 32 -9.063 9.769 -2.822 625 HH11 ARG 32 HH11 ARG 32 -7.670 6.745 -3.980 626 HH12 ARG 32 HH12 ARG 32 -9.239 5.990 -4.016 627 HH21 ARG 32 HH21 ARG 32 -10.848 8.823 -2.835 628 HH22 ARG 32 HH22 ARG 32 -11.065 7.153 -3.375 629 H GLU 33 H GLU 33 -5.025 10.761 0.876 630 HA GLU 33 HA GLU 33 -7.829 11.291 1.233 631 HB2 GLU 33 HB2 GLU 33 -5.624 11.768 3.273 632 HB3 GLU 33 HB3 GLU 33 -7.348 11.565 3.581 633 HG2 GLU 33 HG2 GLU 33 -5.351 9.467 2.770 634 HG3 GLU 33 HG3 GLU 33 -6.341 9.540 4.216 635 H PHE 34 H PHE 34 -5.022 13.573 1.327 636 HA PHE 34 HA PHE 34 -6.626 15.842 2.048 637 HB2 PHE 34 HB2 PHE 34 -4.100 15.504 2.305 638 HB3 PHE 34 HB3 PHE 34 -3.970 15.999 0.619 639 HD1 PHE 34 HD1 PHE 34 -4.718 18.406 0.012 640 HD2 PHE 34 HD2 PHE 34 -4.493 16.987 4.080 641 HE1 PHE 34 HE1 PHE 34 -4.899 20.719 0.842 642 HE2 PHE 34 HE2 PHE 34 -4.599 19.322 4.900 643 HZ PHE 34 HZ PHE 34 -4.811 21.200 3.281 644 H LEU 35 H LEU 35 -5.692 14.451 -1.137 645 HA LEU 35 HA LEU 35 -6.677 16.525 -2.790 646 HB2 LEU 35 HB2 LEU 35 -5.695 13.896 -3.191 647 HB3 LEU 35 HB3 LEU 35 -7.332 13.781 -3.759 648 HG LEU 35 HG LEU 35 -5.939 14.271 -5.609 649 HD11 LEU 35 HD11 LEU 35 -6.894 16.182 -6.544 650 HD12 LEU 35 HD12 LEU 35 -7.095 16.977 -4.969 651 HD13 LEU 35 HD13 LEU 35 -8.105 15.585 -5.409 652 HD21 LEU 35 HD21 LEU 35 -4.351 16.068 -5.671 653 HD22 LEU 35 HD22 LEU 35 -4.023 15.054 -4.272 654 HD23 LEU 35 HD23 LEU 35 -4.832 16.615 -4.043 655 H ASP 36 H ASP 36 -8.416 13.652 -1.569 656 HA ASP 36 HA ASP 36 -10.980 14.409 -2.608 657 HB2 ASP 36 HB2 ASP 36 -10.115 12.474 -0.443 658 HB3 ASP 36 HB3 ASP 36 -11.786 12.676 -0.941 659 H TYR 37 H TYR 37 -9.484 14.983 0.600 660 HA TYR 37 HA TYR 37 -11.680 16.316 1.814 661 HB2 TYR 37 HB2 TYR 37 -9.943 15.717 3.204 662 HB3 TYR 37 HB3 TYR 37 -8.704 16.329 2.123 663 HD1 TYR 37 HD1 TYR 37 -11.698 17.969 3.740 664 HD2 TYR 37 HD2 TYR 37 -7.419 17.927 3.176 665 HE1 TYR 37 HE1 TYR 37 -11.486 20.044 5.092 666 HE2 TYR 37 HE2 TYR 37 -7.216 19.987 4.553 667 HH TYR 37 HH TYR 37 -8.337 21.636 5.708 668 H GLN 38 H GLN 38 -8.962 17.851 -0.096 669 HA GLN 38 HA GLN 38 -10.192 20.452 0.003 670 HB2 GLN 38 HB2 GLN 38 -8.203 19.287 -1.989 671 HB3 GLN 38 HB3 GLN 38 -8.784 20.934 -2.063 672 HG2 GLN 38 HG2 GLN 38 -7.305 19.726 0.306 673 HG3 GLN 38 HG3 GLN 38 -6.602 20.786 -0.930 674 HE21 GLN 38 HE21 GLN 38 -8.170 22.573 2.224 675 HE22 GLN 38 HE22 GLN 38 -7.678 20.886 2.194 676 H LYS 39 H LYS 39 -10.593 17.773 -2.379 677 HA LYS 39 HA LYS 39 -12.173 19.232 -4.266 678 HB2 LYS 39 HB2 LYS 39 -11.921 16.335 -3.358 679 HB3 LYS 39 HB3 LYS 39 -13.231 16.742 -4.432 680 HG2 LYS 39 HG2 LYS 39 -11.853 17.255 -6.209 681 HG3 LYS 39 HG3 LYS 39 -10.375 17.415 -5.258 682 HD2 LYS 39 HD2 LYS 39 -10.293 15.063 -4.817 683 HD3 LYS 39 HD3 LYS 39 -11.944 14.805 -5.408 684 HE2 LYS 39 HE2 LYS 39 -11.222 15.319 -7.710 685 HE3 LYS 39 HE3 LYS 39 -9.578 15.620 -7.146 686 HZ1 LYS 39 HZ1 LYS 39 -9.588 13.265 -6.300 687 HZ2 LYS 39 HZ2 LYS 39 -9.745 13.312 -7.928 688 HZ3 LYS 39 HZ3 LYS 39 -11.044 13.028 -6.979 689 H TRP 40 H TRP 40 -13.273 17.293 -1.460 690 HA TRP 40 HA TRP 40 -16.019 18.130 -1.781 691 HB2 TRP 40 HB2 TRP 40 -14.507 16.310 0.050 692 HB3 TRP 40 HB3 TRP 40 -16.118 16.827 0.530 693 HD1 TRP 40 HD1 TRP 40 -17.884 16.699 -1.830 694 HE1 TRP 40 HE1 TRP 40 -18.405 14.601 -3.166 695 HE3 TRP 40 HE3 TRP 40 -13.875 13.831 -0.407 696 HZ2 TRP 40 HZ2 TRP 40 -17.292 11.960 -3.514 697 HZ3 TRP 40 HZ3 TRP 40 -13.683 11.481 -1.217 698 HH2 TRP 40 HH2 TRP 40 -15.367 10.546 -2.774 699 H ARG 41 H ARG 41 -13.509 19.847 -0.296 700 HA ARG 41 HA ARG 41 -15.520 21.531 1.174 701 HB2 ARG 41 HB2 ARG 41 -12.609 21.016 1.478 702 HB3 ARG 41 HB3 ARG 41 -12.990 22.720 1.397 703 HG2 ARG 41 HG2 ARG 41 -13.062 22.090 3.717 704 HG3 ARG 41 HG3 ARG 41 -14.693 22.448 3.183 705 HD2 ARG 41 HD2 ARG 41 -14.676 19.730 2.701 706 HD3 ARG 41 HD3 ARG 41 -13.465 19.810 3.957 707 HE ARG 41 HE ARG 41 -15.158 20.971 5.389 708 HH11 ARG 41 HH11 ARG 41 -16.635 19.545 2.510 709 HH12 ARG 41 HH12 ARG 41 -18.140 19.310 3.345 710 HH21 ARG 41 HH21 ARG 41 -18.379 19.843 5.454 711 HH22 ARG 41 HH22 ARG 41 -17.003 20.332 6.417 712 H LYS 42 H LYS 42 -13.071 21.766 -1.365 713 HA LYS 42 HA LYS 42 -13.674 24.539 -1.936 714 HB2 LYS 42 HB2 LYS 42 -11.408 23.115 -2.026 715 HB3 LYS 42 HB3 LYS 42 -11.934 22.730 -3.653 716 HG2 LYS 42 HG2 LYS 42 -10.662 24.610 -4.054 717 HG3 LYS 42 HG3 LYS 42 -12.191 25.439 -3.782 718 HD2 LYS 42 HD2 LYS 42 -9.949 24.960 -1.765 719 HD3 LYS 42 HD3 LYS 42 -10.246 26.479 -2.588 720 HE2 LYS 42 HE2 LYS 42 -12.186 25.156 -0.630 721 HE3 LYS 42 HE3 LYS 42 -10.983 26.347 -0.171 722 HZ1 LYS 42 HZ1 LYS 42 -13.137 27.399 -0.581 723 HZ2 LYS 42 HZ2 LYS 42 -13.156 26.891 -2.133 724 HZ3 LYS 42 HZ3 LYS 42 -12.033 27.962 -1.635 725 H SER 43 H SER 43 -14.208 21.508 -3.735 726 HA SER 43 HA SER 43 -15.881 22.982 -5.731 727 HB2 SER 43 HB2 SER 43 -14.106 21.542 -6.604 728 HB3 SER 43 HB3 SER 43 -14.807 20.143 -5.774 729 HG SER 43 HG SER 43 -15.394 20.513 -8.073 730 H GLN 44 H GLN 44 -16.021 20.523 -3.184 731 HA GLN 44 HA GLN 44 -17.699 19.664 -1.983 732 HB2 GLN 44 HB2 GLN 44 -18.128 22.306 -1.949 733 HB3 GLN 44 HB3 GLN 44 -19.651 21.830 -2.674 734 HG2 GLN 44 HG2 GLN 44 -18.493 21.071 0.030 735 HG3 GLN 44 HG3 GLN 44 -19.949 21.989 -0.296 736 HE21 GLN 44 HE21 GLN 44 -18.592 18.750 0.020 737 HE22 GLN 44 HE22 GLN 44 -20.140 17.920 -0.111 738 H LYS 45 H LYS 45 -17.376 18.296 -4.096 739 HA LYS 45 HA LYS 45 -19.380 18.118 -6.087 740 HB2 LYS 45 HB2 LYS 45 -17.330 16.079 -5.143 741 HB3 LYS 45 HB3 LYS 45 -18.154 16.039 -6.701 742 HG2 LYS 45 HG2 LYS 45 -16.957 17.912 -7.539 743 HG3 LYS 45 HG3 LYS 45 -16.535 18.494 -5.936 744 HD2 LYS 45 HD2 LYS 45 -14.514 17.657 -6.632 745 HD3 LYS 45 HD3 LYS 45 -15.161 16.383 -5.612 746 HE2 LYS 45 HE2 LYS 45 -14.326 15.197 -7.440 747 HE3 LYS 45 HE3 LYS 45 -16.048 15.307 -7.814 748 HZ1 LYS 45 HZ1 LYS 45 -13.910 17.083 -8.901 749 HZ2 LYS 45 HZ2 LYS 45 -15.503 17.214 -9.273 750 HZ3 LYS 45 HZ3 LYS 45 -14.664 15.891 -9.735 751 H GLU 46 H GLU 46 -21.448 17.925 -5.216 752 HA GLU 46 HA GLU 46 -22.215 16.082 -3.206 753 HB2 GLU 46 HB2 GLU 46 -23.897 17.411 -5.376 754 HB3 GLU 46 HB3 GLU 46 -24.544 16.562 -3.966 755 HG2 GLU 46 HG2 GLU 46 -23.264 18.162 -2.490 756 HG3 GLU 46 HG3 GLU 46 -22.887 19.107 -3.939 757 H GLU 47 H GLU 47 -21.837 15.519 -6.635 758 HA GLU 47 HA GLU 47 -22.518 12.662 -6.377 759 HB2 GLU 47 HB2 GLU 47 -24.663 13.702 -6.958 760 HB3 GLU 47 HB3 GLU 47 -23.928 14.491 -8.361 761 HG2 GLU 47 HG2 GLU 47 -23.519 12.325 -9.424 762 HG3 GLU 47 HG3 GLU 47 -24.017 11.473 -7.957 763 H1 GLY 1 H1 GLY 1 -31.327 3.275 22.743 764 H2 GLY 1 H2 GLY 1 -30.309 3.775 23.927 765 H3 GLY 1 H3 GLY 1 -29.787 3.704 22.377 766 HA2 GLY 1 HA2 GLY 1 -31.321 5.441 21.713 767 HA3 GLY 1 HA3 GLY 1 -31.869 5.524 23.397 768 H SER 2 H SER 2 -31.250 7.817 23.177 769 HA SER 2 HA SER 2 -28.553 8.684 22.787 770 HB2 SER 2 HB2 SER 2 -30.516 10.148 22.552 771 HB3 SER 2 HB3 SER 2 -30.810 10.042 24.301 772 HG SER 2 HG SER 2 -29.611 11.924 23.688 773 H HIS 3 H HIS 3 -26.889 9.142 24.162 774 HA HIS 3 HA HIS 3 -27.029 8.737 27.054 775 HB2 HIS 3 HB2 HIS 3 -25.356 6.892 27.044 776 HB3 HIS 3 HB3 HIS 3 -26.892 6.414 26.341 777 HD1 HIS 3 HD1 HIS 3 -26.903 6.065 23.595 778 HD2 HIS 3 HD2 HIS 3 -23.193 6.833 25.446 779 HE1 HIS 3 HE1 HIS 3 -25.111 5.512 21.868 780 H MET 4 H MET 4 -25.084 9.234 28.157 781 HA MET 4 HA MET 4 -23.761 11.502 26.909 782 HB2 MET 4 HB2 MET 4 -24.728 11.471 29.237 783 HB3 MET 4 HB3 MET 4 -23.442 10.370 29.716 784 HG2 MET 4 HG2 MET 4 -22.977 12.709 30.335 785 HG3 MET 4 HG3 MET 4 -21.746 12.042 29.275 786 HE1 MET 4 HE1 MET 4 -25.304 13.268 27.908 787 HE2 MET 4 HE2 MET 4 -25.034 14.251 29.369 788 HE3 MET 4 HE3 MET 4 -25.005 15.012 27.763 789 H GLU 5 H GLU 5 -21.633 11.836 26.518 790 HA GLU 5 HA GLU 5 -19.566 9.936 27.376 791 HB2 GLU 5 HB2 GLU 5 -19.827 10.848 24.477 792 HB3 GLU 5 HB3 GLU 5 -18.409 10.081 25.154 793 HG2 GLU 5 HG2 GLU 5 -21.151 8.778 24.892 794 HG3 GLU 5 HG3 GLU 5 -19.776 8.527 23.830 795 H TYR 6 H TYR 6 -17.548 10.945 27.642 796 HA TYR 6 HA TYR 6 -16.126 12.576 28.240 797 HB2 TYR 6 HB2 TYR 6 -16.987 13.155 25.600 798 HB3 TYR 6 HB3 TYR 6 -17.030 14.684 26.433 799 HD1 TYR 6 HD1 TYR 6 -14.586 11.814 26.872 800 HD2 TYR 6 HD2 TYR 6 -15.230 15.777 25.332 801 HE1 TYR 6 HE1 TYR 6 -12.147 12.068 26.498 802 HE2 TYR 6 HE2 TYR 6 -12.817 15.998 24.814 803 HH TYR 6 HH TYR 6 -10.487 13.414 25.828 804 H ASP 7 H ASP 7 -19.258 13.039 28.894 805 HA ASP 7 HA ASP 7 -20.545 14.339 30.103 806 HB2 ASP 7 HB2 ASP 7 -18.062 14.838 31.772 807 HB3 ASP 7 HB3 ASP 7 -19.731 14.988 32.320 808 H GLY 8 H GLY 8 -19.298 15.777 27.873 809 HA2 GLY 8 HA2 GLY 8 -19.465 17.895 26.956 810 HA3 GLY 8 HA3 GLY 8 -20.216 18.470 28.445 811 H GLN 9 H GLN 9 -17.298 17.049 29.295 812 HA GLN 9 HA GLN 9 -15.873 19.616 29.587 813 HB2 GLN 9 HB2 GLN 9 -16.058 18.015 31.461 814 HB3 GLN 9 HB3 GLN 9 -15.259 16.773 30.507 815 HG2 GLN 9 HG2 GLN 9 -13.792 17.827 32.215 816 HG3 GLN 9 HG3 GLN 9 -13.152 17.941 30.589 817 HE21 GLN 9 HE21 GLN 9 -12.061 19.923 30.425 818 HE22 GLN 9 HE22 GLN 9 -12.748 21.437 30.988 819 H LEU 10 H LEU 10 -13.539 19.708 28.944 820 HA LEU 10 HA LEU 10 -12.775 17.899 26.730 821 HB2 LEU 10 HB2 LEU 10 -13.540 20.143 25.920 822 HB3 LEU 10 HB3 LEU 10 -12.191 20.887 26.782 823 HG LEU 10 HG LEU 10 -12.076 20.684 24.363 824 HD11 LEU 10 HD11 LEU 10 -9.822 18.982 25.277 825 HD12 LEU 10 HD12 LEU 10 -10.014 20.628 25.918 826 HD13 LEU 10 HD13 LEU 10 -9.877 20.379 24.173 827 HD21 LEU 10 HD21 LEU 10 -13.218 18.353 24.459 828 HD22 LEU 10 HD22 LEU 10 -11.562 17.723 24.642 829 HD23 LEU 10 HD23 LEU 10 -12.037 18.642 23.209 830 H ASP 11 H ASP 11 -10.696 17.183 26.710 831 HA ASP 11 HA ASP 11 -9.277 17.180 29.181 832 HB2 ASP 11 HB2 ASP 11 -9.339 15.572 26.975 833 HB3 ASP 11 HB3 ASP 11 -7.882 16.487 26.640 834 H SER 12 H SER 12 -7.427 18.269 29.863 835 HA SER 12 HA SER 12 -7.007 20.919 28.945 836 HB2 SER 12 HB2 SER 12 -5.190 20.955 30.517 837 HB3 SER 12 HB3 SER 12 -6.581 20.063 31.185 838 HG SER 12 HG SER 12 -4.591 18.981 31.582 839 H GLU 13 H GLU 13 -5.449 17.967 27.989 840 HA GLU 13 HA GLU 13 -3.203 19.028 26.586 841 HB2 GLU 13 HB2 GLU 13 -4.802 16.443 26.413 842 HB3 GLU 13 HB3 GLU 13 -3.385 16.715 25.421 843 HG2 GLU 13 HG2 GLU 13 -3.349 16.830 28.473 844 HG3 GLU 13 HG3 GLU 13 -3.061 15.361 27.548 845 H TRP 14 H TRP 14 -6.542 18.743 25.578 846 HA TRP 14 HA TRP 14 -5.753 19.496 22.811 847 HB2 TRP 14 HB2 TRP 14 -8.571 18.859 23.371 848 HB3 TRP 14 HB3 TRP 14 -7.583 18.549 21.953 849 HD1 TRP 14 HD1 TRP 14 -9.342 16.768 24.448 850 HE1 TRP 14 HE1 TRP 14 -8.347 14.466 25.020 851 HE3 TRP 14 HE3 TRP 14 -4.829 17.204 22.079 852 HZ2 TRP 14 HZ2 TRP 14 -5.869 13.034 24.594 853 HZ3 TRP 14 HZ3 TRP 14 -3.168 15.356 22.159 854 HH2 TRP 14 HH2 TRP 14 -3.664 13.281 23.433 855 H GLU 15 H GLU 15 -7.593 20.667 25.562 856 HA GLU 15 HA GLU 15 -8.674 23.106 24.612 857 HB2 GLU 15 HB2 GLU 15 -9.184 22.511 26.826 858 HB3 GLU 15 HB3 GLU 15 -7.510 22.094 27.203 859 HG2 GLU 15 HG2 GLU 15 -6.868 24.445 27.270 860 HG3 GLU 15 HG3 GLU 15 -8.527 24.931 26.876 861 H LYS 16 H LYS 16 -5.419 22.334 25.777 862 HA LYS 16 HA LYS 16 -4.367 24.989 25.408 863 HB2 LYS 16 HB2 LYS 16 -2.191 24.087 25.837 864 HB3 LYS 16 HB3 LYS 16 -3.379 23.404 26.936 865 HG2 LYS 16 HG2 LYS 16 -2.299 21.500 26.484 866 HG3 LYS 16 HG3 LYS 16 -3.437 21.452 25.141 867 HD2 LYS 16 HD2 LYS 16 -1.681 22.470 23.657 868 HD3 LYS 16 HD3 LYS 16 -0.572 22.558 25.013 869 HE2 LYS 16 HE2 LYS 16 -1.695 19.952 23.882 870 HE3 LYS 16 HE3 LYS 16 -0.184 20.701 23.369 871 HZ1 LYS 16 HZ1 LYS 16 0.483 20.554 25.815 872 HZ2 LYS 16 HZ2 LYS 16 0.430 19.153 24.982 873 HZ3 LYS 16 HZ3 LYS 16 -0.756 19.481 26.008 874 H LEU 17 H LEU 17 -4.641 22.323 23.142 875 HA LEU 17 HA LEU 17 -2.942 23.450 21.076 876 HB2 LEU 17 HB2 LEU 17 -5.193 21.399 20.939 877 HB3 LEU 17 HB3 LEU 17 -4.098 21.721 19.625 878 HG LEU 17 HG LEU 17 -3.124 20.759 22.332 879 HD11 LEU 17 HD11 LEU 17 -3.478 19.063 19.849 880 HD12 LEU 17 HD12 LEU 17 -4.746 19.186 21.076 881 HD13 LEU 17 HD13 LEU 17 -3.142 18.558 21.519 882 HD21 LEU 17 HD21 LEU 17 -1.162 20.045 21.034 883 HD22 LEU 17 HD22 LEU 17 -1.383 21.805 20.973 884 HD23 LEU 17 HD23 LEU 17 -1.884 20.800 19.591 885 H VAL 18 H VAL 18 -6.524 23.383 21.542 886 HA VAL 18 HA VAL 18 -6.981 25.001 19.182 887 HB VAL 18 HB VAL 18 -8.710 23.583 20.035 888 HG11 VAL 18 HG11 VAL 18 -8.396 23.604 22.387 889 HG12 VAL 18 HG12 VAL 18 -8.639 25.338 22.491 890 HG13 VAL 18 HG13 VAL 18 -10.011 24.280 22.089 891 HG21 VAL 18 HG21 VAL 18 -9.631 26.449 20.401 892 HG22 VAL 18 HG22 VAL 18 -9.348 25.691 18.815 893 HG23 VAL 18 HG23 VAL 18 -10.589 25.043 19.913 894 H ARG 19 H ARG 19 -6.694 25.985 22.632 895 HA ARG 19 HA ARG 19 -6.955 28.779 22.202 896 HB2 ARG 19 HB2 ARG 19 -7.053 27.378 24.335 897 HB3 ARG 19 HB3 ARG 19 -5.285 27.332 24.314 898 HG2 ARG 19 HG2 ARG 19 -5.199 29.768 24.611 899 HG3 ARG 19 HG3 ARG 19 -6.948 29.871 24.325 900 HD2 ARG 19 HD2 ARG 19 -6.495 30.106 26.679 901 HD3 ARG 19 HD3 ARG 19 -7.468 28.682 26.331 902 HE ARG 19 HE ARG 19 -4.530 28.289 26.597 903 HH11 ARG 19 HH11 ARG 19 -3.928 26.497 27.831 904 HH12 ARG 19 HH12 ARG 19 -5.093 25.803 28.929 905 HH21 ARG 19 HH21 ARG 19 -7.550 28.055 28.369 906 HH22 ARG 19 HH22 ARG 19 -7.100 26.503 29.077 907 H ASP 20 H ASP 20 -4.015 26.770 22.081 908 HA ASP 20 HA ASP 20 -2.135 28.816 21.443 909 HB2 ASP 20 HB2 ASP 20 -2.437 25.856 21.022 910 HB3 ASP 20 HB3 ASP 20 -1.158 26.692 20.146 911 H ALA 21 H ALA 21 -4.283 26.892 19.243 912 HA ALA 21 HA ALA 21 -3.278 28.106 16.839 913 HB1 ALA 21 HB1 ALA 21 -6.007 26.894 17.452 914 HB2 ALA 21 HB2 ALA 21 -5.392 27.283 15.842 915 HB3 ALA 21 HB3 ALA 21 -4.576 26.051 16.815 916 H MET 22 H MET 22 -6.138 28.964 18.864 917 HA MET 22 HA MET 22 -6.996 31.197 17.393 918 HB2 MET 22 HB2 MET 22 -7.081 30.794 20.390 919 HB3 MET 22 HB3 MET 22 -7.942 32.042 19.496 920 HG2 MET 22 HG2 MET 22 -8.682 29.240 19.909 921 HG3 MET 22 HG3 MET 22 -9.625 30.622 19.594 922 HE1 MET 22 HE1 MET 22 -10.327 31.563 17.738 923 HE2 MET 22 HE2 MET 22 -9.081 31.651 16.475 924 HE3 MET 22 HE3 MET 22 -10.614 30.767 16.180 925 H THR 23 H THR 23 -4.571 31.115 20.055 926 HA THR 23 HA THR 23 -4.094 33.980 19.909 927 HB THR 23 HB THR 23 -2.246 33.540 21.508 928 HG1 THR 23 HG1 THR 23 -3.232 30.903 21.590 929 HG21 THR 23 HG21 THR 23 -3.687 32.854 23.371 930 HG22 THR 23 HG22 THR 23 -4.925 32.288 22.223 931 HG23 THR 23 HG23 THR 23 -4.510 34.010 22.304 932 H SER 24 H SER 24 -2.388 31.201 18.463 933 HA SER 24 HA SER 24 -0.217 32.945 17.563 934 HB2 SER 24 HB2 SER 24 0.030 30.525 18.238 935 HB3 SER 24 HB3 SER 24 -0.631 30.114 16.634 936 HG SER 24 HG SER 24 1.050 31.386 15.739 937 H GLY 25 H GLY 25 -3.250 33.006 16.458 938 HA2 GLY 25 HA2 GLY 25 -4.115 34.029 14.581 939 HA3 GLY 25 HA3 GLY 25 -2.475 34.281 13.980 940 H VAL 26 H VAL 26 -3.596 31.046 14.709 941 HA VAL 26 HA VAL 26 -3.225 30.040 11.999 942 HB VAL 26 HB VAL 26 -4.255 28.902 14.583 943 HG11 VAL 26 HG11 VAL 26 -3.995 26.631 13.501 944 HG12 VAL 26 HG12 VAL 26 -5.496 27.541 13.241 945 HG13 VAL 26 HG13 VAL 26 -4.280 27.494 11.969 946 HG21 VAL 26 HG21 VAL 26 -1.744 28.477 12.913 947 HG22 VAL 26 HG22 VAL 26 -1.846 29.315 14.471 948 HG23 VAL 26 HG23 VAL 26 -2.129 27.576 14.386 949 H SER 27 H SER 27 -4.772 29.323 10.534 950 HA SER 27 HA SER 27 -7.024 30.918 10.160 951 HB2 SER 27 HB2 SER 27 -6.427 28.177 9.044 952 HB3 SER 27 HB3 SER 27 -7.693 29.258 8.427 953 HG SER 27 HG SER 27 -6.102 30.736 7.838 954 H LYS 28 H LYS 28 -8.728 31.058 11.425 955 HA LYS 28 HA LYS 28 -9.628 29.137 13.255 956 HB2 LYS 28 HB2 LYS 28 -11.518 30.628 13.643 957 HB3 LYS 28 HB3 LYS 28 -10.019 31.537 13.462 958 HG2 LYS 28 HG2 LYS 28 -10.711 31.931 11.003 959 HG3 LYS 28 HG3 LYS 28 -12.293 31.287 11.444 960 HD2 LYS 28 HD2 LYS 28 -10.925 33.711 12.702 961 HD3 LYS 28 HD3 LYS 28 -12.184 33.764 11.460 962 HE2 LYS 28 HE2 LYS 28 -13.763 32.623 13.003 963 HE3 LYS 28 HE3 LYS 28 -12.517 32.603 14.262 964 HZ1 LYS 28 HZ1 LYS 28 -14.025 34.503 14.518 965 HZ2 LYS 28 HZ2 LYS 28 -13.658 35.060 13.032 966 HZ3 LYS 28 HZ3 LYS 28 -12.515 35.042 14.201 967 H LYS 29 H LYS 29 -10.674 29.536 9.871 968 HA LYS 29 HA LYS 29 -12.907 27.714 10.021 969 HB2 LYS 29 HB2 LYS 29 -12.839 27.818 7.608 970 HB3 LYS 29 HB3 LYS 29 -12.641 29.429 8.298 971 HG2 LYS 29 HG2 LYS 29 -10.004 28.630 7.994 972 HG3 LYS 29 HG3 LYS 29 -10.774 27.728 6.689 973 HD2 LYS 29 HD2 LYS 29 -10.969 30.719 7.228 974 HD3 LYS 29 HD3 LYS 29 -9.896 29.980 6.022 975 HE2 LYS 29 HE2 LYS 29 -11.871 29.037 4.817 976 HE3 LYS 29 HE3 LYS 29 -12.950 29.810 5.980 977 HZ1 LYS 29 HZ1 LYS 29 -12.086 31.975 5.249 978 HZ2 LYS 29 HZ2 LYS 29 -12.712 31.161 3.982 979 HZ3 LYS 29 HZ3 LYS 29 -11.094 31.259 4.165 980 H GLN 30 H GLN 30 -9.438 27.240 9.456 981 HA GLN 30 HA GLN 30 -9.653 24.630 8.314 982 HB2 GLN 30 HB2 GLN 30 -7.390 25.919 9.894 983 HB3 GLN 30 HB3 GLN 30 -7.323 24.341 9.118 984 HG2 GLN 30 HG2 GLN 30 -7.744 26.950 7.665 985 HG3 GLN 30 HG3 GLN 30 -6.211 26.051 7.812 986 HE21 GLN 30 HE21 GLN 30 -7.537 26.802 5.302 987 HE22 GLN 30 HE22 GLN 30 -7.947 25.275 4.529 988 H PHE 31 H PHE 31 -9.699 25.685 11.706 989 HA PHE 31 HA PHE 31 -9.278 23.079 12.865 990 HB2 PHE 31 HB2 PHE 31 -10.204 25.719 13.791 991 HB3 PHE 31 HB3 PHE 31 -10.934 24.345 14.623 992 HD1 PHE 31 HD1 PHE 31 -9.862 23.679 16.571 993 HD2 PHE 31 HD2 PHE 31 -7.458 25.046 13.255 994 HE1 PHE 31 HE1 PHE 31 -7.792 23.201 17.857 995 HE2 PHE 31 HE2 PHE 31 -5.401 24.574 14.559 996 HZ PHE 31 HZ PHE 31 -5.576 23.605 16.857 997 H ARG 32 H ARG 32 -12.344 24.608 11.844 998 HA ARG 32 HA ARG 32 -13.850 22.168 12.281 999 HB2 ARG 32 HB2 ARG 32 -14.932 24.412 12.160 1000 HB3 ARG 32 HB3 ARG 32 -14.339 24.620 10.519 1001 HG2 ARG 32 HG2 ARG 32 -16.667 24.022 10.411 1002 HG3 ARG 32 HG3 ARG 32 -15.713 22.712 9.760 1003 HD2 ARG 32 HD2 ARG 32 -15.890 21.754 12.256 1004 HD3 ARG 32 HD3 ARG 32 -17.298 22.801 12.333 1005 HE ARG 32 HE ARG 32 -16.818 20.435 10.549 1006 HH11 ARG 32 HH11 ARG 32 -19.243 22.792 11.535 1007 HH12 ARG 32 HH12 ARG 32 -20.523 21.812 10.876 1008 HH21 ARG 32 HH21 ARG 32 -18.336 19.342 9.812 1009 HH22 ARG 32 HH22 ARG 32 -20.032 19.844 9.876 1010 H GLU 33 H GLU 33 -12.394 23.529 9.309 1011 HA GLU 33 HA GLU 33 -13.315 21.378 7.700 1012 HB2 GLU 33 HB2 GLU 33 -10.835 23.021 7.193 1013 HB3 GLU 33 HB3 GLU 33 -11.733 22.050 6.029 1014 HG2 GLU 33 HG2 GLU 33 -12.431 24.699 7.176 1015 HG3 GLU 33 HG3 GLU 33 -12.398 24.198 5.495 1016 H PHE 34 H PHE 34 -10.225 21.522 9.550 1017 HA PHE 34 HA PHE 34 -9.426 18.949 8.539 1018 HB2 PHE 34 HB2 PHE 34 -7.440 19.255 9.421 1019 HB3 PHE 34 HB3 PHE 34 -7.940 20.928 9.500 1020 HD1 PHE 34 HD1 PHE 34 -7.657 22.075 11.495 1021 HD2 PHE 34 HD2 PHE 34 -7.775 17.762 11.587 1022 HE1 PHE 34 HE1 PHE 34 -7.275 22.107 13.941 1023 HE2 PHE 34 HE2 PHE 34 -7.390 17.816 14.030 1024 HZ PHE 34 HZ PHE 34 -7.224 20.020 15.210 1025 H LEU 35 H LEU 35 -11.230 20.035 11.431 1026 HA LEU 35 HA LEU 35 -11.533 17.553 12.760 1027 HB2 LEU 35 HB2 LEU 35 -12.575 20.002 13.134 1028 HB3 LEU 35 HB3 LEU 35 -13.916 19.339 12.245 1029 HG LEU 35 HG LEU 35 -12.845 18.660 14.976 1030 HD11 LEU 35 HD11 LEU 35 -15.194 19.090 15.551 1031 HD12 LEU 35 HD12 LEU 35 -15.594 19.341 13.842 1032 HD13 LEU 35 HD13 LEU 35 -14.480 20.446 14.682 1033 HD21 LEU 35 HD21 LEU 35 -14.557 16.840 15.098 1034 HD22 LEU 35 HD22 LEU 35 -13.234 16.457 13.988 1035 HD23 LEU 35 HD23 LEU 35 -14.792 17.005 13.339 1036 H ASP 36 H ASP 36 -13.443 18.916 10.033 1037 HA ASP 36 HA ASP 36 -15.001 16.602 9.512 1038 HB2 ASP 36 HB2 ASP 36 -14.192 18.840 7.623 1039 HB3 ASP 36 HB3 ASP 36 -15.388 17.605 7.268 1040 H TYR 37 H TYR 37 -11.898 17.640 8.000 1041 HA TYR 37 HA TYR 37 -11.494 15.610 6.137 1042 HB2 TYR 37 HB2 TYR 37 -10.048 17.578 6.428 1043 HB3 TYR 37 HB3 TYR 37 -9.554 16.979 7.997 1044 HD1 TYR 37 HD1 TYR 37 -9.595 14.575 5.182 1045 HD2 TYR 37 HD2 TYR 37 -7.267 17.382 7.496 1046 HE1 TYR 37 HE1 TYR 37 -7.517 13.628 4.254 1047 HE2 TYR 37 HE2 TYR 37 -5.172 16.380 6.591 1048 HH TYR 37 HH TYR 37 -5.216 13.643 4.285 1049 H GLN 38 H GLN 38 -10.547 15.497 9.642 1050 HA GLN 38 HA GLN 38 -9.729 12.703 9.391 1051 HB2 GLN 38 HB2 GLN 38 -10.274 14.383 11.859 1052 HB3 GLN 38 HB3 GLN 38 -9.593 12.749 11.849 1053 HG2 GLN 38 HG2 GLN 38 -8.310 15.284 10.778 1054 HG3 GLN 38 HG3 GLN 38 -7.759 14.260 12.112 1055 HE21 GLN 38 HE21 GLN 38 -6.645 15.084 9.234 1056 HE22 GLN 38 HE22 GLN 38 -6.066 13.532 8.666 1057 H LYS 39 H LYS 39 -12.746 14.252 10.670 1058 HA LYS 39 HA LYS 39 -14.043 11.873 11.530 1059 HB2 LYS 39 HB2 LYS 39 -14.961 14.545 10.472 1060 HB3 LYS 39 HB3 LYS 39 -16.129 13.249 10.577 1061 HG2 LYS 39 HG2 LYS 39 -15.699 12.961 12.976 1062 HG3 LYS 39 HG3 LYS 39 -14.516 14.279 12.970 1063 HD2 LYS 39 HD2 LYS 39 -16.248 15.858 12.188 1064 HD3 LYS 39 HD3 LYS 39 -17.426 14.551 12.033 1065 HE2 LYS 39 HE2 LYS 39 -17.410 14.153 14.430 1066 HE3 LYS 39 HE3 LYS 39 -16.159 15.380 14.673 1067 HZ1 LYS 39 HZ1 LYS 39 -18.888 15.909 13.597 1068 HZ2 LYS 39 HZ2 LYS 39 -17.749 17.051 13.853 1069 HZ3 LYS 39 HZ3 LYS 39 -18.408 16.248 15.116 1070 H TRP 40 H TRP 40 -13.877 13.230 8.255 1071 HA TRP 40 HA TRP 40 -15.574 11.641 6.768 1072 HB2 TRP 40 HB2 TRP 40 -14.079 13.646 6.120 1073 HB3 TRP 40 HB3 TRP 40 -12.807 12.489 5.820 1074 HD1 TRP 40 HD1 TRP 40 -13.277 10.744 3.735 1075 HE1 TRP 40 HE1 TRP 40 -14.700 10.991 1.611 1076 HE3 TRP 40 HE3 TRP 40 -15.877 14.999 4.963 1077 HZ2 TRP 40 HZ2 TRP 40 -16.811 12.699 0.644 1078 HZ3 TRP 40 HZ3 TRP 40 -17.573 15.918 3.403 1079 HH2 TRP 40 HH2 TRP 40 -18.061 14.771 1.252 1080 H ARG 41 H ARG 41 -12.381 10.767 7.937 1081 HA ARG 41 HA ARG 41 -12.503 8.129 6.521 1082 HB2 ARG 41 HB2 ARG 41 -10.702 9.941 6.025 1083 HB3 ARG 41 HB3 ARG 41 -10.032 9.546 7.603 1084 HG2 ARG 41 HG2 ARG 41 -8.854 8.395 5.827 1085 HG3 ARG 41 HG3 ARG 41 -9.670 7.195 6.837 1086 HD2 ARG 41 HD2 ARG 41 -11.271 6.692 5.161 1087 HD3 ARG 41 HD3 ARG 41 -11.076 8.263 4.382 1088 HE ARG 41 HE ARG 41 -9.184 7.595 3.253 1089 HH11 ARG 41 HH11 ARG 41 -10.291 4.856 5.169 1090 HH12 ARG 41 HH12 ARG 41 -9.209 3.756 4.358 1091 HH21 ARG 41 HH21 ARG 41 -7.776 6.221 2.396 1092 HH22 ARG 41 HH22 ARG 41 -7.833 4.503 2.770 1093 H LYS 42 H LYS 42 -11.723 9.582 9.675 1094 HA LYS 42 HA LYS 42 -11.211 7.031 11.004 1095 HB2 LYS 42 HB2 LYS 42 -11.876 9.767 12.201 1096 HB3 LYS 42 HB3 LYS 42 -11.215 8.391 13.075 1097 HG2 LYS 42 HG2 LYS 42 -9.799 9.936 10.869 1098 HG3 LYS 42 HG3 LYS 42 -9.502 10.095 12.589 1099 HD2 LYS 42 HD2 LYS 42 -8.130 8.290 12.650 1100 HD3 LYS 42 HD3 LYS 42 -9.233 7.289 11.730 1101 HE2 LYS 42 HE2 LYS 42 -7.340 7.446 10.365 1102 HE3 LYS 42 HE3 LYS 42 -8.537 8.525 9.632 1103 HZ1 LYS 42 HZ1 LYS 42 -6.452 9.522 11.518 1104 HZ2 LYS 42 HZ2 LYS 42 -7.344 10.417 10.500 1105 HZ3 LYS 42 HZ3 LYS 42 -6.185 9.443 9.898 1106 H SER 43 H SER 43 -14.080 8.905 10.406 1107 HA SER 43 HA SER 43 -15.686 6.820 11.865 1108 HB2 SER 43 HB2 SER 43 -15.509 8.860 13.201 1109 HB3 SER 43 HB3 SER 43 -16.164 9.810 11.862 1110 HG SER 43 HG SER 43 -17.461 7.729 13.329 1111 H GLN 44 H GLN 44 -15.575 9.026 9.080 1112 HA GLN 44 HA GLN 44 -16.581 8.997 7.106 1113 HB2 GLN 44 HB2 GLN 44 -15.770 6.455 7.468 1114 HB3 GLN 44 HB3 GLN 44 -17.479 6.142 7.272 1115 HG2 GLN 44 HG2 GLN 44 -15.457 7.217 5.322 1116 HG3 GLN 44 HG3 GLN 44 -16.594 5.907 5.116 1117 HE21 GLN 44 HE21 GLN 44 -16.055 9.344 4.775 1118 HE22 GLN 44 HE22 GLN 44 -17.577 9.684 3.946 1119 H LYS 45 H LYS 45 -17.991 10.454 8.336 1120 HA LYS 45 HA LYS 45 -20.384 9.716 9.576 1121 HB2 LYS 45 HB2 LYS 45 -20.002 12.403 8.213 1122 HB3 LYS 45 HB3 LYS 45 -20.942 12.043 9.649 1123 HG2 LYS 45 HG2 LYS 45 -17.925 12.188 9.363 1124 HG3 LYS 45 HG3 LYS 45 -18.971 13.252 10.287 1125 HD2 LYS 45 HD2 LYS 45 -18.342 10.345 10.939 1126 HD3 LYS 45 HD3 LYS 45 -17.672 11.768 11.736 1127 HE2 LYS 45 HE2 LYS 45 -20.006 12.400 12.460 1128 HE3 LYS 45 HE3 LYS 45 -20.580 10.873 11.773 1129 HZ1 LYS 45 HZ1 LYS 45 -18.610 11.167 13.985 1130 HZ2 LYS 45 HZ2 LYS 45 -18.949 9.746 13.274 1131 HZ3 LYS 45 HZ3 LYS 45 -20.123 10.545 14.106 1132 H GLU 46 H GLU 46 -19.932 10.510 6.194 1133 HA GLU 46 HA GLU 46 -21.225 10.440 4.361 1134 HB2 GLU 46 HB2 GLU 46 -21.203 8.022 5.357 1135 HB3 GLU 46 HB3 GLU 46 -22.929 8.296 5.603 1136 HG2 GLU 46 HG2 GLU 46 -23.147 8.781 3.143 1137 HG3 GLU 46 HG3 GLU 46 -21.405 8.568 2.969 1138 H GLU 47 H GLU 47 -22.094 12.381 6.324 1139 HA GLU 47 HA GLU 47 -24.820 13.014 5.313 1140 HB2 GLU 47 HB2 GLU 47 -23.977 12.977 8.234 1141 HB3 GLU 47 HB3 GLU 47 -25.408 13.804 7.643 1142 HG2 GLU 47 HG2 GLU 47 -24.909 10.800 7.475 1143 HG3 GLU 47 HG3 GLU 47 -25.900 11.618 8.667 1144 H1 GLY 1 H1 GLY 1 -1.888 41.355 9.689 1145 H2 GLY 1 H2 GLY 1 -2.553 42.434 8.649 1146 H3 GLY 1 H3 GLY 1 -3.517 41.458 9.545 1147 HA2 GLY 1 HA2 GLY 1 -1.762 43.584 10.597 1148 HA3 GLY 1 HA3 GLY 1 -3.528 43.679 10.464 1149 H SER 2 H SER 2 -4.101 43.798 12.604 1150 HA SER 2 HA SER 2 -2.957 42.159 14.705 1151 HB2 SER 2 HB2 SER 2 -4.707 43.183 16.093 1152 HB3 SER 2 HB3 SER 2 -3.817 44.389 15.152 1153 HG SER 2 HG SER 2 -6.090 44.735 15.089 1154 H HIS 3 H HIS 3 -4.287 40.784 16.127 1155 HA HIS 3 HA HIS 3 -6.578 39.370 14.965 1156 HB2 HIS 3 HB2 HIS 3 -4.439 38.255 14.095 1157 HB3 HIS 3 HB3 HIS 3 -4.099 37.793 15.761 1158 HD1 HIS 3 HD1 HIS 3 -6.887 37.282 13.097 1159 HD2 HIS 3 HD2 HIS 3 -5.314 35.579 16.610 1160 HE1 HIS 3 HE1 HIS 3 -8.129 35.082 13.445 1161 H MET 4 H MET 4 -7.448 37.725 16.550 1162 HA MET 4 HA MET 4 -7.918 38.901 19.093 1163 HB2 MET 4 HB2 MET 4 -8.432 36.053 18.126 1164 HB3 MET 4 HB3 MET 4 -9.068 36.769 19.608 1165 HG2 MET 4 HG2 MET 4 -10.834 36.972 18.129 1166 HG3 MET 4 HG3 MET 4 -10.125 38.581 18.149 1167 HE1 MET 4 HE1 MET 4 -11.374 39.378 16.023 1168 HE2 MET 4 HE2 MET 4 -11.518 38.426 14.530 1169 HE3 MET 4 HE3 MET 4 -12.254 37.832 16.037 1170 H GLU 5 H GLU 5 -7.361 38.326 21.166 1171 HA GLU 5 HA GLU 5 -5.225 36.339 21.680 1172 HB2 GLU 5 HB2 GLU 5 -5.117 39.244 22.594 1173 HB3 GLU 5 HB3 GLU 5 -4.076 37.943 23.188 1174 HG2 GLU 5 HG2 GLU 5 -3.265 37.576 20.838 1175 HG3 GLU 5 HG3 GLU 5 -4.157 39.022 20.345 1176 H TYR 6 H TYR 6 -5.158 35.618 23.878 1177 HA TYR 6 HA TYR 6 -7.686 36.002 25.422 1178 HB2 TYR 6 HB2 TYR 6 -6.276 33.396 24.763 1179 HB3 TYR 6 HB3 TYR 6 -7.683 33.563 25.794 1180 HD1 TYR 6 HD1 TYR 6 -7.300 31.720 23.467 1181 HD2 TYR 6 HD2 TYR 6 -9.187 35.575 23.752 1182 HE1 TYR 6 HE1 TYR 6 -8.918 31.018 21.763 1183 HE2 TYR 6 HE2 TYR 6 -10.700 34.963 21.889 1184 HH TYR 6 HH TYR 6 -11.305 33.380 20.400 1185 H ASP 7 H ASP 7 -7.579 35.110 27.601 1186 HA ASP 7 HA ASP 7 -4.916 35.419 28.913 1187 HB2 ASP 7 HB2 ASP 7 -6.086 36.433 30.758 1188 HB3 ASP 7 HB3 ASP 7 -6.480 37.271 29.261 1189 H GLY 8 H GLY 8 -6.526 32.946 27.962 1190 HA2 GLY 8 HA2 GLY 8 -5.979 30.734 29.072 1191 HA3 GLY 8 HA3 GLY 8 -6.709 31.405 30.532 1192 H GLN 9 H GLN 9 -8.843 32.789 28.887 1193 HA GLN 9 HA GLN 9 -10.888 30.814 28.697 1194 HB2 GLN 9 HB2 GLN 9 -11.340 33.152 29.005 1195 HB3 GLN 9 HB3 GLN 9 -10.532 33.610 27.521 1196 HG2 GLN 9 HG2 GLN 9 -12.911 31.743 27.345 1197 HG3 GLN 9 HG3 GLN 9 -13.188 33.419 27.774 1198 HE21 GLN 9 HE21 GLN 9 -10.538 32.802 25.408 1199 HE22 GLN 9 HE22 GLN 9 -11.476 33.465 24.091 1200 H LEU 10 H LEU 10 -11.760 29.714 26.953 1201 HA LEU 10 HA LEU 10 -10.623 30.193 24.262 1202 HB2 LEU 10 HB2 LEU 10 -9.787 28.013 25.188 1203 HB3 LEU 10 HB3 LEU 10 -11.456 27.437 25.258 1204 HG LEU 10 HG LEU 10 -9.987 26.624 23.483 1205 HD11 LEU 10 HD11 LEU 10 -12.153 27.983 21.982 1206 HD12 LEU 10 HD12 LEU 10 -12.575 26.851 23.287 1207 HD13 LEU 10 HD13 LEU 10 -11.568 26.304 21.942 1208 HD21 LEU 10 HD21 LEU 10 -9.201 28.002 21.716 1209 HD22 LEU 10 HD22 LEU 10 -8.915 28.925 23.191 1210 HD23 LEU 10 HD23 LEU 10 -10.297 29.322 22.147 1211 H ASP 11 H ASP 11 -12.079 30.454 22.665 1212 HA ASP 11 HA ASP 11 -14.719 31.211 23.336 1213 HB2 ASP 11 HB2 ASP 11 -13.037 31.713 21.277 1214 HB3 ASP 11 HB3 ASP 11 -13.995 30.477 20.516 1215 H SER 12 H SER 12 -16.695 30.177 23.215 1216 HA SER 12 HA SER 12 -16.863 27.350 23.394 1217 HB2 SER 12 HB2 SER 12 -18.468 28.784 24.359 1218 HB3 SER 12 HB3 SER 12 -18.983 29.393 22.765 1219 HG SER 12 HG SER 12 -20.380 27.755 23.625 1220 H GLU 13 H GLU 13 -16.997 29.422 20.573 1221 HA GLU 13 HA GLU 13 -17.955 27.541 18.656 1222 HB2 GLU 13 HB2 GLU 13 -16.199 30.022 18.504 1223 HB3 GLU 13 HB3 GLU 13 -16.677 29.141 17.072 1224 HG2 GLU 13 HG2 GLU 13 -18.665 30.323 19.067 1225 HG3 GLU 13 HG3 GLU 13 -18.054 31.190 17.665 1226 H TRP 14 H TRP 14 -14.760 27.831 20.037 1227 HA TRP 14 HA TRP 14 -13.746 25.842 18.063 1228 HB2 TRP 14 HB2 TRP 14 -11.834 27.106 19.911 1229 HB3 TRP 14 HB3 TRP 14 -11.656 26.602 18.237 1230 HD1 TRP 14 HD1 TRP 14 -11.511 29.557 20.142 1231 HE1 TRP 14 HE1 TRP 14 -12.267 31.679 18.918 1232 HE3 TRP 14 HE3 TRP 14 -13.694 27.404 16.050 1233 HZ2 TRP 14 HZ2 TRP 14 -13.788 32.359 16.551 1234 HZ3 TRP 14 HZ3 TRP 14 -14.784 28.808 14.309 1235 HH2 TRP 14 HH2 TRP 14 -14.876 31.274 14.566 1236 H GLU 15 H GLU 15 -14.260 26.333 21.501 1237 HA GLU 15 HA GLU 15 -13.300 23.938 22.671 1238 HB2 GLU 15 HB2 GLU 15 -14.243 25.589 24.086 1239 HB3 GLU 15 HB3 GLU 15 -15.666 25.757 23.078 1240 HG2 GLU 15 HG2 GLU 15 -16.179 24.730 25.205 1241 HG3 GLU 15 HG3 GLU 15 -16.631 23.734 23.832 1242 H LYS 16 H LYS 16 -16.319 24.622 20.960 1243 HA LYS 16 HA LYS 16 -17.398 21.957 21.175 1244 HB2 LYS 16 HB2 LYS 16 -19.089 22.609 19.614 1245 HB3 LYS 16 HB3 LYS 16 -18.791 23.897 20.775 1246 HG2 LYS 16 HG2 LYS 16 -18.887 25.204 18.973 1247 HG3 LYS 16 HG3 LYS 16 -17.183 24.771 18.842 1248 HD2 LYS 16 HD2 LYS 16 -17.797 22.950 17.226 1249 HD3 LYS 16 HD3 LYS 16 -19.497 23.346 17.404 1250 HE2 LYS 16 HE2 LYS 16 -17.407 25.264 16.275 1251 HE3 LYS 16 HE3 LYS 16 -18.368 24.149 15.307 1252 HZ1 LYS 16 HZ1 LYS 16 -19.371 26.502 16.812 1253 HZ2 LYS 16 HZ2 LYS 16 -20.381 25.299 16.309 1254 HZ3 LYS 16 HZ3 LYS 16 -19.508 26.176 15.248 1255 H LEU 17 H LEU 17 -15.232 23.349 18.779 1256 HA LEU 17 HA LEU 17 -15.391 21.176 16.865 1257 HB2 LEU 17 HB2 LEU 17 -13.233 23.275 17.365 1258 HB3 LEU 17 HB3 LEU 17 -13.253 22.226 15.979 1259 HG LEU 17 HG LEU 17 -15.513 24.157 16.597 1260 HD11 LEU 17 HD11 LEU 17 -13.247 25.236 16.151 1261 HD12 LEU 17 HD12 LEU 17 -14.556 25.635 15.010 1262 HD13 LEU 17 HD13 LEU 17 -13.291 24.474 14.549 1263 HD21 LEU 17 HD21 LEU 17 -14.675 22.656 14.107 1264 HD22 LEU 17 HD22 LEU 17 -16.013 23.829 14.192 1265 HD23 LEU 17 HD23 LEU 17 -16.130 22.293 15.075 1266 H VAL 18 H VAL 18 -13.014 21.983 19.457 1267 HA VAL 18 HA VAL 18 -11.498 19.564 18.973 1268 HB VAL 18 HB VAL 18 -10.489 21.474 20.009 1269 HG11 VAL 18 HG11 VAL 18 -12.400 20.975 22.285 1270 HG12 VAL 18 HG12 VAL 18 -10.916 21.945 22.448 1271 HG13 VAL 18 HG13 VAL 18 -12.202 22.428 21.321 1272 HG21 VAL 18 HG21 VAL 18 -9.242 20.396 21.732 1273 HG22 VAL 18 HG22 VAL 18 -10.494 19.172 21.995 1274 HG23 VAL 18 HG23 VAL 18 -9.583 19.193 20.473 1275 H ARG 19 H ARG 19 -14.101 20.202 21.396 1276 HA ARG 19 HA ARG 19 -14.141 17.582 22.471 1277 HB2 ARG 19 HB2 ARG 19 -15.256 19.795 23.252 1278 HB3 ARG 19 HB3 ARG 19 -16.585 19.374 22.156 1279 HG2 ARG 19 HG2 ARG 19 -16.853 17.210 23.403 1280 HG3 ARG 19 HG3 ARG 19 -15.459 17.663 24.402 1281 HD2 ARG 19 HD2 ARG 19 -17.420 18.056 25.666 1282 HD3 ARG 19 HD3 ARG 19 -16.675 19.598 25.293 1283 HE ARG 19 HE ARG 19 -19.125 18.452 23.976 1284 HH11 ARG 19 HH11 ARG 19 -17.264 21.373 24.738 1285 HH12 ARG 19 HH12 ARG 19 -18.576 22.395 24.206 1286 HH21 ARG 19 HH21 ARG 19 -20.683 19.854 23.298 1287 HH22 ARG 19 HH22 ARG 19 -20.424 21.568 23.395 1288 H ASP 20 H ASP 20 -15.901 18.845 19.641 1289 HA ASP 20 HA ASP 20 -17.309 16.484 18.895 1290 HB2 ASP 20 HB2 ASP 20 -16.194 18.935 17.554 1291 HB3 ASP 20 HB3 ASP 20 -16.753 17.621 16.528 1292 H ALA 21 H ALA 21 -13.932 17.508 18.089 1293 HA ALA 21 HA ALA 21 -13.372 15.168 16.506 1294 HB1 ALA 21 HB1 ALA 21 -11.011 15.833 16.866 1295 HB2 ALA 21 HB2 ALA 21 -12.046 17.191 16.389 1296 HB3 ALA 21 HB3 ALA 21 -11.526 17.010 18.080 1297 H MET 22 H MET 22 -12.704 15.864 19.983 1298 HA MET 22 HA MET 22 -11.494 13.405 20.622 1299 HB2 MET 22 HB2 MET 22 -13.219 15.152 22.402 1300 HB3 MET 22 HB3 MET 22 -12.211 13.808 22.924 1301 HG2 MET 22 HG2 MET 22 -11.418 16.572 22.371 1302 HG3 MET 22 HG3 MET 22 -10.729 15.384 23.369 1303 HE1 MET 22 HE1 MET 22 -9.432 12.967 21.453 1304 HE2 MET 22 HE2 MET 22 -7.909 13.844 21.788 1305 HE3 MET 22 HE3 MET 22 -9.202 13.804 23.001 1306 H THR 23 H THR 23 -14.983 14.216 20.596 1307 HA THR 23 HA THR 23 -15.779 11.558 21.501 1308 HB THR 23 HB THR 23 -18.094 12.329 21.022 1309 HG1 THR 23 HG1 THR 23 -16.920 14.852 20.592 1310 HG21 THR 23 HG21 THR 23 -17.114 12.647 23.227 1311 HG22 THR 23 HG22 THR 23 -18.163 14.016 22.811 1312 HG23 THR 23 HG23 THR 23 -16.392 14.189 22.725 1313 H SER 24 H SER 24 -15.589 13.061 18.262 1314 HA SER 24 HA SER 24 -16.887 10.746 17.043 1315 HB2 SER 24 HB2 SER 24 -17.017 13.131 16.233 1316 HB3 SER 24 HB3 SER 24 -15.406 12.869 15.516 1317 HG SER 24 HG SER 24 -16.295 11.048 14.446 1318 H GLY 25 H GLY 25 -13.971 10.693 18.421 1319 HA2 GLY 25 HA2 GLY 25 -12.271 9.145 18.290 1320 HA3 GLY 25 HA3 GLY 25 -13.115 8.364 16.950 1321 H VAL 26 H VAL 26 -12.221 11.745 16.699 1322 HA VAL 26 HA VAL 26 -10.585 11.365 14.334 1323 HB VAL 26 HB VAL 26 -11.276 13.690 16.112 1324 HG11 VAL 26 HG11 VAL 26 -10.301 15.190 14.331 1325 HG12 VAL 26 HG12 VAL 26 -9.182 14.465 15.502 1326 HG13 VAL 26 HG13 VAL 26 -9.296 13.799 13.873 1327 HG21 VAL 26 HG21 VAL 26 -13.008 12.849 14.582 1328 HG22 VAL 26 HG22 VAL 26 -12.442 14.430 14.040 1329 HG23 VAL 26 HG23 VAL 26 -11.881 12.968 13.216 1330 H SER 27 H SER 27 -8.381 11.614 14.053 1331 HA SER 27 HA SER 27 -6.678 10.401 15.908 1332 HB2 SER 27 HB2 SER 27 -6.025 12.238 13.601 1333 HB3 SER 27 HB3 SER 27 -4.821 11.275 14.479 1334 HG SER 27 HG SER 27 -5.900 9.401 13.833 1335 H LYS 28 H LYS 28 -6.164 11.121 17.888 1336 HA LYS 28 HA LYS 28 -6.416 13.803 18.722 1337 HB2 LYS 28 HB2 LYS 28 -5.532 13.089 20.847 1338 HB3 LYS 28 HB3 LYS 28 -6.633 11.875 20.207 1339 HG2 LYS 28 HG2 LYS 28 -4.631 10.529 19.443 1340 HG3 LYS 28 HG3 LYS 28 -3.583 11.731 20.223 1341 HD2 LYS 28 HD2 LYS 28 -4.679 11.253 22.406 1342 HD3 LYS 28 HD3 LYS 28 -5.711 10.043 21.615 1343 HE2 LYS 28 HE2 LYS 28 -3.686 8.773 20.928 1344 HE3 LYS 28 HE3 LYS 28 -2.660 9.973 21.723 1345 HZ1 LYS 28 HZ1 LYS 28 -3.045 8.048 23.154 1346 HZ2 LYS 28 HZ2 LYS 28 -4.661 8.261 23.106 1347 HZ3 LYS 28 HZ3 LYS 28 -3.710 9.369 23.842 1348 H LYS 29 H LYS 29 -3.553 12.260 17.329 1349 HA LYS 29 HA LYS 29 -1.723 14.393 18.045 1350 HB2 LYS 29 HB2 LYS 29 -0.237 13.334 16.474 1351 HB3 LYS 29 HB3 LYS 29 -0.979 12.125 17.526 1352 HG2 LYS 29 HG2 LYS 29 -2.678 12.183 15.295 1353 HG3 LYS 29 HG3 LYS 29 -1.102 12.528 14.592 1354 HD2 LYS 29 HD2 LYS 29 -1.833 10.153 16.366 1355 HD3 LYS 29 HD3 LYS 29 -1.689 10.100 14.600 1356 HE2 LYS 29 HE2 LYS 29 0.713 10.724 14.762 1357 HE3 LYS 29 HE3 LYS 29 0.591 10.768 16.525 1358 HZ1 LYS 29 HZ1 LYS 29 1.471 8.642 15.760 1359 HZ2 LYS 29 HZ2 LYS 29 0.149 8.351 14.850 1360 HZ3 LYS 29 HZ3 LYS 29 0.030 8.393 16.480 1361 H GLN 30 H GLN 30 -3.953 13.854 15.306 1362 HA GLN 30 HA GLN 30 -2.793 15.748 13.551 1363 HB2 GLN 30 HB2 GLN 30 -5.647 14.711 13.791 1364 HB3 GLN 30 HB3 GLN 30 -5.167 15.853 12.559 1365 HG2 GLN 30 HG2 GLN 30 -3.908 13.107 12.951 1366 HG3 GLN 30 HG3 GLN 30 -5.133 13.514 11.751 1367 HE21 GLN 30 HE21 GLN 30 -2.371 12.484 11.282 1368 HE22 GLN 30 HE22 GLN 30 -1.614 13.729 10.300 1369 H PHE 31 H PHE 31 -4.905 16.276 16.302 1370 HA PHE 31 HA PHE 31 -5.490 19.047 15.764 1371 HB2 PHE 31 HB2 PHE 31 -5.695 17.246 18.088 1372 HB3 PHE 31 HB3 PHE 31 -5.272 18.905 18.503 1373 HD1 PHE 31 HD1 PHE 31 -6.888 20.624 18.567 1374 HD2 PHE 31 HD2 PHE 31 -7.762 16.987 16.399 1375 HE1 PHE 31 HE1 PHE 31 -9.179 21.442 18.079 1376 HE2 PHE 31 HE2 PHE 31 -9.972 17.888 15.803 1377 HZ PHE 31 HZ PHE 31 -10.708 20.106 16.661 1378 H ARG 32 H ARG 32 -2.724 17.696 17.607 1379 HA ARG 32 HA ARG 32 -1.328 20.237 17.683 1380 HB2 ARG 32 HB2 ARG 32 -0.906 18.356 19.287 1381 HB3 ARG 32 HB3 ARG 32 -0.404 17.330 17.953 1382 HG2 ARG 32 HG2 ARG 32 1.577 18.046 19.049 1383 HG3 ARG 32 HG3 ARG 32 1.525 18.883 17.515 1384 HD2 ARG 32 HD2 ARG 32 0.369 20.823 18.950 1385 HD3 ARG 32 HD3 ARG 32 1.113 19.987 20.305 1386 HE ARG 32 HE ARG 32 2.454 21.422 18.069 1387 HH11 ARG 32 HH11 ARG 32 3.008 19.614 21.041 1388 HH12 ARG 32 HH12 ARG 32 4.720 19.929 20.988 1389 HH21 ARG 32 HH21 ARG 32 4.572 21.498 17.926 1390 HH22 ARG 32 HH22 ARG 32 5.600 21.064 19.284 1391 H GLU 33 H GLU 33 -0.970 17.438 15.483 1392 HA GLU 33 HA GLU 33 1.207 18.554 14.061 1393 HB2 GLU 33 HB2 GLU 33 -0.866 16.717 12.836 1394 HB3 GLU 33 HB3 GLU 33 0.777 17.028 12.296 1395 HG2 GLU 33 HG2 GLU 33 -0.083 15.398 14.663 1396 HG3 GLU 33 HG3 GLU 33 0.778 14.880 13.237 1397 H PHE 34 H PHE 34 -2.322 18.938 13.371 1398 HA PHE 34 HA PHE 34 -1.864 20.582 11.050 1399 HB2 PHE 34 HB2 PHE 34 -3.951 19.207 11.644 1400 HB3 PHE 34 HB3 PHE 34 -4.415 20.565 12.668 1401 HD1 PHE 34 HD1 PHE 34 -4.300 19.188 9.350 1402 HD2 PHE 34 HD2 PHE 34 -4.556 22.952 11.479 1403 HE1 PHE 34 HE1 PHE 34 -5.081 20.307 7.279 1404 HE2 PHE 34 HE2 PHE 34 -5.265 24.047 9.393 1405 HZ PHE 34 HZ PHE 34 -5.559 22.747 7.294 1406 H LEU 35 H LEU 35 -2.476 21.296 14.520 1407 HA LEU 35 HA LEU 35 -2.649 24.105 14.421 1408 HB2 LEU 35 HB2 LEU 35 -2.693 22.362 16.405 1409 HB3 LEU 35 HB3 LEU 35 -0.970 22.621 16.467 1410 HG LEU 35 HG LEU 35 -3.294 24.319 17.237 1411 HD11 LEU 35 HD11 LEU 35 -2.025 22.963 18.825 1412 HD12 LEU 35 HD12 LEU 35 -1.870 24.678 19.190 1413 HD13 LEU 35 HD13 LEU 35 -0.526 23.824 18.405 1414 HD21 LEU 35 HD21 LEU 35 -1.812 26.321 17.479 1415 HD22 LEU 35 HD22 LEU 35 -2.159 25.920 15.793 1416 HD23 LEU 35 HD23 LEU 35 -0.590 25.483 16.499 1417 H ASP 36 H ASP 36 0.302 22.073 14.767 1418 HA ASP 36 HA ASP 36 2.164 24.192 14.498 1419 HB2 ASP 36 HB2 ASP 36 2.447 21.219 13.986 1420 HB3 ASP 36 HB3 ASP 36 3.781 22.359 13.839 1421 H TYR 37 H TYR 37 0.766 22.023 11.968 1422 HA TYR 37 HA TYR 37 2.237 22.953 9.766 1423 HB2 TYR 37 HB2 TYR 37 0.828 21.010 9.615 1424 HB3 TYR 37 HB3 TYR 37 -0.600 21.947 10.026 1425 HD1 TYR 37 HD1 TYR 37 2.052 22.726 7.491 1426 HD2 TYR 37 HD2 TYR 37 -2.072 21.688 8.219 1427 HE1 TYR 37 HE1 TYR 37 1.552 23.020 5.095 1428 HE2 TYR 37 HE2 TYR 37 -2.578 22.031 5.801 1429 HH TYR 37 HH TYR 37 -1.734 22.860 3.763 1430 H GLN 38 H GLN 38 -0.826 24.387 11.088 1431 HA GLN 38 HA GLN 38 -0.717 26.581 9.156 1432 HB2 GLN 38 HB2 GLN 38 -2.279 26.241 11.733 1433 HB3 GLN 38 HB3 GLN 38 -2.421 27.650 10.690 1434 HG2 GLN 38 HG2 GLN 38 -3.123 24.780 10.024 1435 HG3 GLN 38 HG3 GLN 38 -4.239 26.151 10.152 1436 HE21 GLN 38 HE21 GLN 38 -3.312 24.161 7.860 1437 HE22 GLN 38 HE22 GLN 38 -3.086 25.280 6.528 1438 H LYS 39 H LYS 39 0.372 26.290 12.592 1439 HA LYS 39 HA LYS 39 1.232 28.998 12.897 1440 HB2 LYS 39 HB2 LYS 39 2.108 26.348 14.054 1441 HB3 LYS 39 HB3 LYS 39 3.077 27.788 14.343 1442 HG2 LYS 39 HG2 LYS 39 1.216 28.941 15.385 1443 HG3 LYS 39 HG3 LYS 39 0.110 27.587 15.097 1444 HD2 LYS 39 HD2 LYS 39 1.502 26.107 16.477 1445 HD3 LYS 39 HD3 LYS 39 2.756 27.343 16.625 1446 HE2 LYS 39 HE2 LYS 39 1.248 28.789 17.897 1447 HE3 LYS 39 HE3 LYS 39 -0.056 27.600 17.760 1448 HZ1 LYS 39 HZ1 LYS 39 2.562 27.120 19.102 1449 HZ2 LYS 39 HZ2 LYS 39 1.352 26.030 19.008 1450 HZ3 LYS 39 HZ3 LYS 39 1.161 27.398 19.884 1451 H TRP 40 H TRP 40 2.982 26.246 11.485 1452 HA TRP 40 HA TRP 40 5.443 27.286 10.828 1453 HB2 TRP 40 HB2 TRP 40 4.355 24.928 10.495 1454 HB3 TRP 40 HB3 TRP 40 3.909 25.503 8.907 1455 HD1 TRP 40 HD1 TRP 40 6.249 26.382 7.451 1456 HE1 TRP 40 HE1 TRP 40 8.531 25.222 7.310 1457 HE3 TRP 40 HE3 TRP 40 5.765 23.065 11.376 1458 HZ2 TRP 40 HZ2 TRP 40 10.018 23.241 8.783 1459 HZ3 TRP 40 HZ3 TRP 40 7.647 21.591 11.977 1460 HH2 TRP 40 HH2 TRP 40 9.781 21.693 10.728 1461 H ARG 41 H ARG 41 2.426 27.888 9.147 1462 HA ARG 41 HA ARG 41 3.796 29.368 6.943 1463 HB2 ARG 41 HB2 ARG 41 2.339 27.427 6.389 1464 HB3 ARG 41 HB3 ARG 41 0.984 28.200 7.198 1465 HG2 ARG 41 HG2 ARG 41 0.744 28.408 4.823 1466 HG3 ARG 41 HG3 ARG 41 0.989 30.018 5.484 1467 HD2 ARG 41 HD2 ARG 41 3.280 28.378 4.372 1468 HD3 ARG 41 HD3 ARG 41 2.219 29.321 3.307 1469 HE ARG 41 HE ARG 41 3.147 31.068 5.334 1470 HH11 ARG 41 HH11 ARG 41 4.517 29.266 2.617 1471 HH12 ARG 41 HH12 ARG 41 5.815 30.420 2.424 1472 HH21 ARG 41 HH21 ARG 41 4.824 32.471 5.008 1473 HH22 ARG 41 HH22 ARG 41 5.981 32.186 3.740 1474 H LYS 42 H LYS 42 1.161 29.760 9.301 1475 HA LYS 42 HA LYS 42 0.485 32.493 8.451 1476 HB2 LYS 42 HB2 LYS 42 -0.420 30.854 10.857 1477 HB3 LYS 42 HB3 LYS 42 -1.146 32.352 10.305 1478 HG2 LYS 42 HG2 LYS 42 -1.179 29.710 8.766 1479 HG3 LYS 42 HG3 LYS 42 -2.472 30.379 9.741 1480 HD2 LYS 42 HD2 LYS 42 -3.188 30.979 7.669 1481 HD3 LYS 42 HD3 LYS 42 -2.327 32.449 8.132 1482 HE2 LYS 42 HE2 LYS 42 -0.333 31.617 6.823 1483 HE3 LYS 42 HE3 LYS 42 -1.256 30.176 6.379 1484 HZ1 LYS 42 HZ1 LYS 42 -2.011 32.965 5.667 1485 HZ2 LYS 42 HZ2 LYS 42 -2.860 31.631 5.258 1486 HZ3 LYS 42 HZ3 LYS 42 -1.370 31.874 4.637 1487 H SER 43 H SER 43 2.476 31.074 10.987 1488 HA SER 43 HA SER 43 3.106 33.830 12.004 1489 HB2 SER 43 HB2 SER 43 1.792 32.432 13.579 1490 HB3 SER 43 HB3 SER 43 3.088 31.223 13.557 1491 HG SER 43 HG SER 43 3.200 33.917 14.473 1492 H GLN 44 H GLN 44 4.445 30.614 11.211 1493 HA GLN 44 HA GLN 44 6.425 29.945 10.549 1494 HB2 GLN 44 HB2 GLN 44 5.924 32.160 9.088 1495 HB3 GLN 44 HB3 GLN 44 7.451 32.649 9.795 1496 HG2 GLN 44 HG2 GLN 44 6.820 30.444 7.840 1497 HG3 GLN 44 HG3 GLN 44 7.990 31.722 7.704 1498 HE21 GLN 44 HE21 GLN 44 7.359 28.507 9.035 1499 HE22 GLN 44 HE22 GLN 44 9.038 28.163 9.486 1500 H LYS 45 H LYS 45 6.179 30.543 13.343 1501 HA LYS 45 HA LYS 45 8.717 31.381 14.472 1502 HB2 LYS 45 HB2 LYS 45 6.491 29.500 15.367 1503 HB3 LYS 45 HB3 LYS 45 7.863 29.917 16.395 1504 HG2 LYS 45 HG2 LYS 45 7.195 32.121 16.694 1505 HG3 LYS 45 HG3 LYS 45 6.251 32.183 15.199 1506 HD2 LYS 45 HD2 LYS 45 4.519 30.784 16.103 1507 HD3 LYS 45 HD3 LYS 45 5.448 30.491 17.599 1508 HE2 LYS 45 HE2 LYS 45 5.384 32.919 18.119 1509 HE3 LYS 45 HE3 LYS 45 4.475 33.218 16.633 1510 HZ1 LYS 45 HZ1 LYS 45 3.519 31.568 18.911 1511 HZ2 LYS 45 HZ2 LYS 45 2.682 31.824 17.522 1512 HZ3 LYS 45 HZ3 LYS 45 2.993 33.070 18.536 1513 H GLU 46 H GLU 46 7.541 28.432 13.051 1514 HA GLU 46 HA GLU 46 9.748 26.688 13.653 1515 HB2 GLU 46 HB2 GLU 46 7.544 26.526 11.550 1516 HB3 GLU 46 HB3 GLU 46 8.648 25.230 12.002 1517 HG2 GLU 46 HG2 GLU 46 6.612 24.773 13.106 1518 HG3 GLU 46 HG3 GLU 46 7.776 25.271 14.323 1519 H GLU 47 H GLU 47 11.218 28.644 12.986 1520 HA GLU 47 HA GLU 47 11.907 29.046 10.215 1521 HB2 GLU 47 HB2 GLU 47 13.501 29.538 12.759 1522 HB3 GLU 47 HB3 GLU 47 13.958 30.087 11.142 1523 HG2 GLU 47 HG2 GLU 47 11.793 31.361 11.008 1524 HG3 GLU 47 HG3 GLU 47 11.489 30.951 12.702 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 27.631 3.926 -1.853 2 H2 GLY 1 H2 GLY 1 28.347 5.383 -1.632 3 H3 GLY 1 H3 GLY 1 27.686 5.005 -3.084 4 HA2 GLY 1 HA2 GLY 1 26.186 5.355 -0.570 5 HA3 GLY 1 HA3 GLY 1 26.263 6.540 -1.886 6 H SER 2 H SER 2 23.995 4.917 -0.660 7 HA SER 2 HA SER 2 23.049 2.990 -2.531 8 HB2 SER 2 HB2 SER 2 21.452 4.716 -0.603 9 HB3 SER 2 HB3 SER 2 20.909 3.211 -1.371 10 HG SER 2 HG SER 2 21.703 2.860 0.757 11 H HIS 3 H HIS 3 21.427 3.055 -4.096 12 HA HIS 3 HA HIS 3 21.265 5.402 -5.764 13 HB2 HIS 3 HB2 HIS 3 21.199 2.956 -6.458 14 HB3 HIS 3 HB3 HIS 3 19.544 2.899 -5.863 15 HD1 HIS 3 HD1 HIS 3 17.809 4.709 -7.286 16 HD2 HIS 3 HD2 HIS 3 21.596 3.775 -8.883 17 HE1 HIS 3 HE1 HIS 3 17.731 5.363 -9.744 18 H MET 4 H MET 4 19.510 6.772 -6.178 19 HA MET 4 HA MET 4 17.711 7.412 -4.013 20 HB2 MET 4 HB2 MET 4 16.794 9.066 -5.588 21 HB3 MET 4 HB3 MET 4 18.536 9.176 -5.422 22 HG2 MET 4 HG2 MET 4 17.204 7.682 -7.713 23 HG3 MET 4 HG3 MET 4 17.498 9.411 -7.768 24 HE1 MET 4 HE1 MET 4 21.342 9.772 -8.045 25 HE2 MET 4 HE2 MET 4 19.764 10.586 -8.082 26 HE3 MET 4 HE3 MET 4 20.386 9.912 -6.557 27 H GLU 5 H GLU 5 15.362 7.465 -4.107 28 HA GLU 5 HA GLU 5 14.336 4.892 -4.647 29 HB2 GLU 5 HB2 GLU 5 13.528 6.372 -2.852 30 HB3 GLU 5 HB3 GLU 5 12.896 7.497 -4.038 31 HG2 GLU 5 HG2 GLU 5 11.109 6.192 -3.036 32 HG3 GLU 5 HG3 GLU 5 11.208 5.898 -4.763 33 H TYR 6 H TYR 6 14.124 7.747 -6.539 34 HA TYR 6 HA TYR 6 12.889 6.281 -8.836 35 HB2 TYR 6 HB2 TYR 6 12.241 9.105 -7.920 36 HB3 TYR 6 HB3 TYR 6 11.802 8.455 -9.484 37 HD1 TYR 6 HD1 TYR 6 10.965 5.597 -7.960 38 HD2 TYR 6 HD2 TYR 6 9.920 9.762 -7.794 39 HE1 TYR 6 HE1 TYR 6 8.692 4.997 -7.200 40 HE2 TYR 6 HE2 TYR 6 7.604 9.188 -7.169 41 HH TYR 6 HH TYR 6 6.666 5.742 -6.566 42 H ASP 7 H ASP 7 13.723 6.692 -10.788 43 HA ASP 7 HA ASP 7 16.085 8.462 -11.053 44 HB2 ASP 7 HB2 ASP 7 16.171 6.077 -11.778 45 HB3 ASP 7 HB3 ASP 7 14.951 6.427 -13.001 46 H GLY 8 H GLY 8 13.894 9.975 -10.626 47 HA2 GLY 8 HA2 GLY 8 13.025 11.957 -11.465 48 HA3 GLY 8 HA3 GLY 8 13.682 11.581 -13.053 49 H GLN 9 H GLN 9 11.940 8.890 -12.382 50 HA GLN 9 HA GLN 9 9.541 9.678 -13.855 51 HB2 GLN 9 HB2 GLN 9 10.718 7.520 -14.189 52 HB3 GLN 9 HB3 GLN 9 10.386 7.066 -12.522 53 HG2 GLN 9 HG2 GLN 9 8.899 5.953 -14.176 54 HG3 GLN 9 HG3 GLN 9 8.014 6.865 -12.970 55 HE21 GLN 9 HE21 GLN 9 6.276 8.598 -15.525 56 HE22 GLN 9 HE22 GLN 9 6.191 7.775 -13.979 57 H LEU 10 H LEU 10 7.349 9.255 -13.007 58 HA LEU 10 HA LEU 10 7.081 9.139 -10.067 59 HB2 LEU 10 HB2 LEU 10 6.756 11.476 -10.918 60 HB3 LEU 10 HB3 LEU 10 5.356 10.919 -11.838 61 HG LEU 10 HG LEU 10 5.010 12.226 -9.805 62 HD11 LEU 10 HD11 LEU 10 3.096 11.305 -9.170 63 HD12 LEU 10 HD12 LEU 10 3.728 9.641 -9.138 64 HD13 LEU 10 HD13 LEU 10 3.356 10.432 -10.687 65 HD21 LEU 10 HD21 LEU 10 6.959 11.059 -8.624 66 HD22 LEU 10 HD22 LEU 10 5.793 9.780 -8.207 67 HD23 LEU 10 HD23 LEU 10 5.562 11.439 -7.639 68 H ASP 11 H ASP 11 5.450 7.878 -9.270 69 HA ASP 11 HA ASP 11 4.487 5.772 -10.940 70 HB2 ASP 11 HB2 ASP 11 4.938 6.059 -8.279 71 HB3 ASP 11 HB3 ASP 11 3.225 6.358 -8.287 72 H SER 12 H SER 12 2.467 5.382 -11.857 73 HA SER 12 HA SER 12 0.792 7.536 -12.598 74 HB2 SER 12 HB2 SER 12 0.938 5.556 -13.852 75 HB3 SER 12 HB3 SER 12 0.259 4.577 -12.527 76 HG SER 12 HG SER 12 -1.298 5.116 -14.154 77 H GLU 13 H GLU 13 0.619 5.475 -9.754 78 HA GLU 13 HA GLU 13 -1.977 6.176 -8.824 79 HB2 GLU 13 HB2 GLU 13 0.574 5.269 -7.437 80 HB3 GLU 13 HB3 GLU 13 -0.924 5.498 -6.562 81 HG2 GLU 13 HG2 GLU 13 -0.639 3.603 -8.940 82 HG3 GLU 13 HG3 GLU 13 -0.364 3.125 -7.269 83 H TRP 14 H TRP 14 1.000 8.009 -8.574 84 HA TRP 14 HA TRP 14 -0.361 9.969 -6.788 85 HB2 TRP 14 HB2 TRP 14 2.515 10.306 -7.325 86 HB3 TRP 14 HB3 TRP 14 1.563 10.601 -5.880 87 HD1 TRP 14 HD1 TRP 14 4.140 8.421 -7.055 88 HE1 TRP 14 HE1 TRP 14 4.185 6.124 -5.899 89 HE3 TRP 14 HE3 TRP 14 -0.308 8.676 -4.533 90 HZ2 TRP 14 HZ2 TRP 14 2.506 4.586 -4.116 91 HZ3 TRP 14 HZ3 TRP 14 -1.043 6.804 -3.070 92 HH2 TRP 14 HH2 TRP 14 0.349 4.753 -2.863 93 H GLU 15 H GLU 15 1.104 9.626 -9.957 94 HA GLU 15 HA GLU 15 0.940 12.258 -10.995 95 HB2 GLU 15 HB2 GLU 15 1.885 10.589 -12.396 96 HB3 GLU 15 HB3 GLU 15 0.533 9.481 -12.131 97 HG2 GLU 15 HG2 GLU 15 -0.962 10.824 -13.449 98 HG3 GLU 15 HG3 GLU 15 0.283 12.065 -13.691 99 H LYS 16 H LYS 16 -1.524 9.708 -10.762 100 HA LYS 16 HA LYS 16 -3.624 11.245 -11.967 101 HB2 LYS 16 HB2 LYS 16 -5.164 9.549 -11.228 102 HB3 LYS 16 HB3 LYS 16 -3.687 8.841 -11.864 103 HG2 LYS 16 HG2 LYS 16 -3.817 7.515 -10.088 104 HG3 LYS 16 HG3 LYS 16 -3.022 8.851 -9.264 105 HD2 LYS 16 HD2 LYS 16 -5.255 9.700 -8.514 106 HD3 LYS 16 HD3 LYS 16 -6.053 8.382 -9.356 107 HE2 LYS 16 HE2 LYS 16 -4.074 7.990 -7.063 108 HE3 LYS 16 HE3 LYS 16 -5.818 8.150 -6.859 109 HZ1 LYS 16 HZ1 LYS 16 -5.993 6.168 -8.424 110 HZ2 LYS 16 HZ2 LYS 16 -5.408 5.859 -6.934 111 HZ3 LYS 16 HZ3 LYS 16 -4.386 5.903 -8.164 112 H LEU 17 H LEU 17 -2.589 11.092 -8.627 113 HA LEU 17 HA LEU 17 -4.776 12.575 -7.447 114 HB2 LEU 17 HB2 LEU 17 -1.895 12.191 -6.554 115 HB3 LEU 17 HB3 LEU 17 -3.142 12.892 -5.556 116 HG LEU 17 HG LEU 17 -3.329 10.081 -6.699 117 HD11 LEU 17 HD11 LEU 17 -2.553 9.262 -4.646 118 HD12 LEU 17 HD12 LEU 17 -2.652 10.859 -3.861 119 HD13 LEU 17 HD13 LEU 17 -1.401 10.540 -5.080 120 HD21 LEU 17 HD21 LEU 17 -5.519 10.912 -6.148 121 HD22 LEU 17 HD22 LEU 17 -4.922 11.616 -4.630 122 HD23 LEU 17 HD23 LEU 17 -4.982 9.844 -4.843 123 H VAL 18 H VAL 18 -1.459 13.596 -8.554 124 HA VAL 18 HA VAL 18 -1.995 16.369 -7.919 125 HB VAL 18 HB VAL 18 0.267 15.520 -8.093 126 HG11 VAL 18 HG11 VAL 18 1.317 15.378 -10.394 127 HG12 VAL 18 HG12 VAL 18 0.270 14.024 -9.890 128 HG13 VAL 18 HG13 VAL 18 -0.324 15.196 -11.059 129 HG21 VAL 18 HG21 VAL 18 1.255 17.394 -9.210 130 HG22 VAL 18 HG22 VAL 18 -0.232 17.763 -10.100 131 HG23 VAL 18 HG23 VAL 18 -0.195 17.939 -8.344 132 H ARG 19 H ARG 19 -2.323 14.611 -11.038 133 HA ARG 19 HA ARG 19 -3.164 16.895 -12.579 134 HB2 ARG 19 HB2 ARG 19 -3.792 13.909 -12.828 135 HB3 ARG 19 HB3 ARG 19 -4.199 15.155 -14.051 136 HG2 ARG 19 HG2 ARG 19 -1.641 15.582 -14.054 137 HG3 ARG 19 HG3 ARG 19 -1.469 14.028 -13.313 138 HD2 ARG 19 HD2 ARG 19 -3.055 14.402 -15.890 139 HD3 ARG 19 HD3 ARG 19 -1.304 14.332 -15.879 140 HE ARG 19 HE ARG 19 -1.339 12.057 -15.514 141 HH11 ARG 19 HH11 ARG 19 -4.664 13.115 -15.077 142 HH12 ARG 19 HH12 ARG 19 -5.246 11.475 -15.114 143 HH21 ARG 19 HH21 ARG 19 -2.095 10.131 -15.593 144 HH22 ARG 19 HH22 ARG 19 -3.811 9.781 -15.401 145 H ASP 20 H ASP 20 -5.031 14.507 -10.667 146 HA ASP 20 HA ASP 20 -7.635 15.580 -11.030 147 HB2 ASP 20 HB2 ASP 20 -6.187 14.002 -8.915 148 HB3 ASP 20 HB3 ASP 20 -7.712 14.729 -8.478 149 H ALA 21 H ALA 21 -5.087 16.569 -8.623 150 HA ALA 21 HA ALA 21 -6.813 18.473 -7.350 151 HB1 ALA 21 HB1 ALA 21 -4.794 17.679 -6.284 152 HB2 ALA 21 HB2 ALA 21 -3.777 18.402 -7.560 153 HB3 ALA 21 HB3 ALA 21 -4.711 19.438 -6.466 154 H MET 22 H MET 22 -4.521 18.801 -10.089 155 HA MET 22 HA MET 22 -4.901 21.584 -10.439 156 HB2 MET 22 HB2 MET 22 -4.226 19.556 -12.583 157 HB3 MET 22 HB3 MET 22 -4.079 21.308 -12.685 158 HG2 MET 22 HG2 MET 22 -2.195 19.384 -11.597 159 HG3 MET 22 HG3 MET 22 -1.959 20.945 -12.191 160 HE1 MET 22 HE1 MET 22 -3.446 23.044 -9.863 161 HE2 MET 22 HE2 MET 22 -1.799 23.248 -9.220 162 HE3 MET 22 HE3 MET 22 -2.049 23.052 -10.965 163 H THR 23 H THR 23 -6.733 18.833 -11.912 164 HA THR 23 HA THR 23 -8.448 20.638 -13.439 165 HB THR 23 HB THR 23 -9.684 18.631 -14.082 166 HG1 THR 23 HG1 THR 23 -8.960 16.625 -13.395 167 HG21 THR 23 HG21 THR 23 -6.669 18.273 -14.314 168 HG22 THR 23 HG22 THR 23 -7.698 19.263 -15.366 169 HG23 THR 23 HG23 THR 23 -7.905 17.503 -15.332 170 H SER 24 H SER 24 -8.837 18.872 -10.357 171 HA SER 24 HA SER 24 -11.653 19.552 -10.236 172 HB2 SER 24 HB2 SER 24 -10.561 17.403 -9.385 173 HB3 SER 24 HB3 SER 24 -10.137 18.320 -7.933 174 HG SER 24 HG SER 24 -12.379 18.918 -7.811 175 H GLY 25 H GLY 25 -9.253 21.636 -9.901 176 HA2 GLY 25 HA2 GLY 25 -9.239 23.799 -9.128 177 HA3 GLY 25 HA3 GLY 25 -10.888 23.564 -8.541 178 H VAL 26 H VAL 26 -8.389 21.463 -7.331 179 HA VAL 26 HA VAL 26 -8.830 22.177 -4.557 180 HB VAL 26 HB VAL 26 -6.955 20.343 -6.033 181 HG11 VAL 26 HG11 VAL 26 -5.545 20.807 -4.243 182 HG12 VAL 26 HG12 VAL 26 -6.871 20.820 -3.078 183 HG13 VAL 26 HG13 VAL 26 -6.371 19.295 -3.837 184 HG21 VAL 26 HG21 VAL 26 -9.277 19.649 -5.924 185 HG22 VAL 26 HG22 VAL 26 -8.333 18.626 -4.837 186 HG23 VAL 26 HG23 VAL 26 -9.320 19.938 -4.179 187 H SER 27 H SER 27 -7.414 23.107 -3.064 188 HA SER 27 HA SER 27 -6.118 25.453 -3.799 189 HB2 SER 27 HB2 SER 27 -5.736 23.765 -1.320 190 HB3 SER 27 HB3 SER 27 -5.202 25.449 -1.501 191 HG SER 27 HG SER 27 -7.341 26.085 -1.716 192 H LYS 28 H LYS 28 -4.518 25.389 -5.302 193 HA LYS 28 HA LYS 28 -2.450 23.504 -5.543 194 HB2 LYS 28 HB2 LYS 28 -1.465 25.028 -7.153 195 HB3 LYS 28 HB3 LYS 28 -3.218 24.989 -7.327 196 HG2 LYS 28 HG2 LYS 28 -3.231 27.145 -5.857 197 HG3 LYS 28 HG3 LYS 28 -1.496 27.213 -6.166 198 HD2 LYS 28 HD2 LYS 28 -3.725 27.258 -8.254 199 HD3 LYS 28 HD3 LYS 28 -2.787 28.644 -7.692 200 HE2 LYS 28 HE2 LYS 28 -0.704 27.526 -8.555 201 HE3 LYS 28 HE3 LYS 28 -1.716 26.242 -9.233 202 HZ1 LYS 28 HZ1 LYS 28 -1.901 29.120 -9.960 203 HZ2 LYS 28 HZ2 LYS 28 -2.840 27.950 -10.606 204 HZ3 LYS 28 HZ3 LYS 28 -1.233 27.961 -10.891 205 H LYS 29 H LYS 29 -2.499 26.381 -3.518 206 HA LYS 29 HA LYS 29 0.253 26.345 -2.688 207 HB2 LYS 29 HB2 LYS 29 -0.522 27.767 -0.857 208 HB3 LYS 29 HB3 LYS 29 -1.168 28.276 -2.420 209 HG2 LYS 29 HG2 LYS 29 -3.186 26.595 -1.498 210 HG3 LYS 29 HG3 LYS 29 -2.575 27.251 0.011 211 HD2 LYS 29 HD2 LYS 29 -3.524 28.842 -2.409 212 HD3 LYS 29 HD3 LYS 29 -4.458 28.564 -0.929 213 HE2 LYS 29 HE2 LYS 29 -2.739 29.774 0.400 214 HE3 LYS 29 HE3 LYS 29 -1.801 30.071 -1.067 215 HZ1 LYS 29 HZ1 LYS 29 -3.682 31.359 -1.934 216 HZ2 LYS 29 HZ2 LYS 29 -3.187 31.981 -0.510 217 HZ3 LYS 29 HZ3 LYS 29 -4.550 31.088 -0.575 218 H GLN 30 H GLN 30 -2.539 24.473 -1.526 219 HA GLN 30 HA GLN 30 -1.334 23.641 0.945 220 HB2 GLN 30 HB2 GLN 30 -3.516 22.374 -0.778 221 HB3 GLN 30 HB3 GLN 30 -2.998 21.706 0.756 222 HG2 GLN 30 HG2 GLN 30 -4.149 24.498 0.356 223 HG3 GLN 30 HG3 GLN 30 -5.056 23.098 0.927 224 HE21 GLN 30 HE21 GLN 30 -4.655 25.667 2.322 225 HE22 GLN 30 HE22 GLN 30 -3.793 25.248 3.797 226 H PHE 31 H PHE 31 -1.020 22.435 -2.360 227 HA PHE 31 HA PHE 31 0.153 19.878 -1.792 228 HB2 PHE 31 HB2 PHE 31 -0.109 21.673 -4.127 229 HB3 PHE 31 HB3 PHE 31 1.398 20.790 -4.103 230 HD1 PHE 31 HD1 PHE 31 -2.250 20.019 -3.383 231 HD2 PHE 31 HD2 PHE 31 1.441 18.811 -5.279 232 HE1 PHE 31 HE1 PHE 31 -3.332 17.976 -4.197 233 HE2 PHE 31 HE2 PHE 31 0.329 16.769 -6.117 234 HZ PHE 31 HZ PHE 31 -2.038 16.288 -5.509 235 H ARG 32 H ARG 32 1.841 22.973 -2.481 236 HA ARG 32 HA ARG 32 4.432 21.954 -1.847 237 HB2 ARG 32 HB2 ARG 32 4.152 23.907 -3.263 238 HB3 ARG 32 HB3 ARG 32 3.294 24.769 -1.988 239 HG2 ARG 32 HG2 ARG 32 5.581 25.618 -2.200 240 HG3 ARG 32 HG3 ARG 32 5.354 24.880 -0.630 241 HD2 ARG 32 HD2 ARG 32 6.408 22.737 -1.653 242 HD3 ARG 32 HD3 ARG 32 6.911 23.743 -3.002 243 HE ARG 32 HE ARG 32 7.964 23.645 -0.266 244 HH11 ARG 32 HH11 ARG 32 7.957 25.778 -3.071 245 HH12 ARG 32 HH12 ARG 32 9.372 26.611 -2.488 246 HH21 ARG 32 HH21 ARG 32 10.321 25.989 -0.530 247 HH22 ARG 32 HH22 ARG 32 9.584 24.654 0.366 248 H GLU 33 H GLU 33 2.267 23.949 0.174 249 HA GLU 33 HA GLU 33 4.056 24.041 2.422 250 HB2 GLU 33 HB2 GLU 33 1.024 24.258 2.317 251 HB3 GLU 33 HB3 GLU 33 2.017 24.682 3.710 252 HG2 GLU 33 HG2 GLU 33 2.105 26.067 1.010 253 HG3 GLU 33 HG3 GLU 33 1.258 26.637 2.449 254 H PHE 34 H PHE 34 1.361 21.682 1.731 255 HA PHE 34 HA PHE 34 1.793 20.224 4.143 256 HB2 PHE 34 HB2 PHE 34 -0.259 20.250 2.623 257 HB3 PHE 34 HB3 PHE 34 0.577 19.046 1.641 258 HD1 PHE 34 HD1 PHE 34 0.993 16.720 2.663 259 HD2 PHE 34 HD2 PHE 34 -1.200 19.809 4.742 260 HE1 PHE 34 HE1 PHE 34 0.233 15.076 4.325 261 HE2 PHE 34 HE2 PHE 34 -2.055 18.117 6.341 262 HZ PHE 34 HZ PHE 34 -1.328 15.742 6.148 263 H LEU 35 H LEU 35 3.257 19.881 0.879 264 HA LEU 35 HA LEU 35 4.667 17.471 1.279 265 HB2 LEU 35 HB2 LEU 35 4.621 19.559 -0.635 266 HB3 LEU 35 HB3 LEU 35 6.268 19.577 -0.089 267 HG LEU 35 HG LEU 35 6.075 18.202 -2.047 268 HD11 LEU 35 HD11 LEU 35 7.586 17.458 -0.167 269 HD12 LEU 35 HD12 LEU 35 7.112 16.222 -1.329 270 HD13 LEU 35 HD13 LEU 35 6.335 16.271 0.265 271 HD21 LEU 35 HD21 LEU 35 4.556 16.408 -2.302 272 HD22 LEU 35 HD22 LEU 35 3.631 17.787 -1.727 273 HD23 LEU 35 HD23 LEU 35 4.058 16.482 -0.597 274 H ASP 36 H ASP 36 5.853 20.793 1.943 275 HA ASP 36 HA ASP 36 8.283 19.843 3.164 276 HB2 ASP 36 HB2 ASP 36 7.001 22.575 3.135 277 HB3 ASP 36 HB3 ASP 36 8.584 22.207 3.821 278 H TYR 37 H TYR 37 5.136 20.765 4.546 279 HA TYR 37 HA TYR 37 5.768 20.523 7.310 280 HB2 TYR 37 HB2 TYR 37 3.683 21.376 6.695 281 HB3 TYR 37 HB3 TYR 37 3.343 20.056 5.603 282 HD1 TYR 37 HD1 TYR 37 4.149 20.263 9.297 283 HD2 TYR 37 HD2 TYR 37 1.516 18.808 6.201 284 HE1 TYR 37 HE1 TYR 37 2.718 19.154 11.015 285 HE2 TYR 37 HE2 TYR 37 0.081 17.736 7.925 286 HH TYR 37 HH TYR 37 -0.265 17.357 10.154 287 H GLN 38 H GLN 38 4.650 17.894 5.039 288 HA GLN 38 HA GLN 38 5.020 15.840 7.026 289 HB2 GLN 38 HB2 GLN 38 4.904 15.671 3.989 290 HB3 GLN 38 HB3 GLN 38 5.039 14.277 5.056 291 HG2 GLN 38 HG2 GLN 38 2.737 16.263 5.168 292 HG3 GLN 38 HG3 GLN 38 2.701 14.700 4.341 293 HE21 GLN 38 HE21 GLN 38 1.671 16.112 7.146 294 HE22 GLN 38 HE22 GLN 38 1.698 14.675 8.158 295 H LYS 39 H LYS 39 7.274 17.096 4.519 296 HA LYS 39 HA LYS 39 9.426 15.253 4.892 297 HB2 LYS 39 HB2 LYS 39 9.214 18.182 4.164 298 HB3 LYS 39 HB3 LYS 39 10.791 17.464 4.386 299 HG2 LYS 39 HG2 LYS 39 10.660 16.131 2.543 300 HG3 LYS 39 HG3 LYS 39 8.900 16.132 2.405 301 HD2 LYS 39 HD2 LYS 39 8.854 18.358 1.609 302 HD3 LYS 39 HD3 LYS 39 10.509 18.702 2.145 303 HE2 LYS 39 HE2 LYS 39 11.381 17.189 0.380 304 HE3 LYS 39 HE3 LYS 39 9.731 16.874 -0.159 305 HZ1 LYS 39 HZ1 LYS 39 10.563 18.691 -1.501 306 HZ2 LYS 39 HZ2 LYS 39 11.169 19.478 -0.202 307 HZ3 LYS 39 HZ3 LYS 39 9.568 19.415 -0.396 308 H TRP 40 H TRP 40 8.796 18.348 6.580 309 HA TRP 40 HA TRP 40 10.868 17.931 8.545 310 HB2 TRP 40 HB2 TRP 40 8.699 19.987 8.122 311 HB3 TRP 40 HB3 TRP 40 9.818 20.074 9.481 312 HD1 TRP 40 HD1 TRP 40 12.512 19.279 7.987 313 HE1 TRP 40 HE1 TRP 40 13.673 20.976 6.510 314 HE3 TRP 40 HE3 TRP 40 8.503 22.307 6.949 315 HZ2 TRP 40 HZ2 TRP 40 12.989 23.384 5.063 316 HZ3 TRP 40 HZ3 TRP 40 8.810 24.328 5.526 317 HH2 TRP 40 HH2 TRP 40 11.043 24.880 4.590 318 H ARG 41 H ARG 41 7.842 16.465 8.515 319 HA ARG 41 HA ARG 41 7.925 16.038 11.498 320 HB2 ARG 41 HB2 ARG 41 5.745 16.152 9.457 321 HB3 ARG 41 HB3 ARG 41 5.681 14.750 10.472 322 HG2 ARG 41 HG2 ARG 41 4.257 16.399 11.417 323 HG3 ARG 41 HG3 ARG 41 5.600 16.157 12.511 324 HD2 ARG 41 HD2 ARG 41 5.418 18.495 10.531 325 HD3 ARG 41 HD3 ARG 41 4.845 18.567 12.180 326 HE ARG 41 HE ARG 41 7.676 18.291 11.301 327 HH11 ARG 41 HH11 ARG 41 5.582 18.765 14.100 328 HH12 ARG 41 HH12 ARG 41 6.884 19.489 15.008 329 HH21 ARG 41 HH21 ARG 41 9.244 18.936 12.547 330 HH22 ARG 41 HH22 ARG 41 8.951 19.528 14.169 331 H LYS 42 H LYS 42 7.764 14.297 8.418 332 HA LYS 42 HA LYS 42 8.164 11.646 9.581 333 HB2 LYS 42 HB2 LYS 42 8.154 12.656 6.690 334 HB3 LYS 42 HB3 LYS 42 8.195 10.965 7.170 335 HG2 LYS 42 HG2 LYS 42 5.891 12.911 7.638 336 HG3 LYS 42 HG3 LYS 42 5.984 11.610 6.463 337 HD2 LYS 42 HD2 LYS 42 4.736 10.559 8.048 338 HD3 LYS 42 HD3 LYS 42 6.337 10.068 8.599 339 HE2 LYS 42 HE2 LYS 42 6.286 11.991 10.244 340 HE3 LYS 42 HE3 LYS 42 4.673 12.412 9.656 341 HZ1 LYS 42 HZ1 LYS 42 3.901 10.228 10.411 342 HZ2 LYS 42 HZ2 LYS 42 4.562 11.041 11.663 343 HZ3 LYS 42 HZ3 LYS 42 5.391 9.831 10.950 344 H SER 43 H SER 43 10.224 13.794 7.575 345 HA SER 43 HA SER 43 12.531 11.949 8.013 346 HB2 SER 43 HB2 SER 43 12.031 12.592 5.706 347 HB3 SER 43 HB3 SER 43 12.174 14.302 6.128 348 HG SER 43 HG SER 43 14.211 12.324 6.109 349 H GLN 44 H GLN 44 11.497 15.307 8.629 350 HA GLN 44 HA GLN 44 12.292 16.956 9.907 351 HB2 GLN 44 HB2 GLN 44 12.142 14.840 11.553 352 HB3 GLN 44 HB3 GLN 44 13.849 15.201 11.761 353 HG2 GLN 44 HG2 GLN 44 11.495 17.105 12.185 354 HG3 GLN 44 HG3 GLN 44 12.376 16.277 13.447 355 HE21 GLN 44 HE21 GLN 44 12.450 19.008 11.194 356 HE22 GLN 44 HE22 GLN 44 13.893 19.731 11.889 357 H LYS 45 H LYS 45 13.718 16.295 7.580 358 HA LYS 45 HA LYS 45 16.544 16.421 7.852 359 HB2 LYS 45 HB2 LYS 45 16.549 16.818 5.456 360 HB3 LYS 45 HB3 LYS 45 15.399 15.564 5.899 361 HG2 LYS 45 HG2 LYS 45 13.657 17.619 5.866 362 HG3 LYS 45 HG3 LYS 45 14.879 18.341 4.825 363 HD2 LYS 45 HD2 LYS 45 13.400 15.710 4.449 364 HD3 LYS 45 HD3 LYS 45 13.147 17.180 3.517 365 HE2 LYS 45 HE2 LYS 45 15.694 15.493 3.508 366 HE3 LYS 45 HE3 LYS 45 14.409 15.409 2.301 367 HZ1 LYS 45 HZ1 LYS 45 16.121 17.790 2.830 368 HZ2 LYS 45 HZ2 LYS 45 14.868 17.764 1.772 369 HZ3 LYS 45 HZ3 LYS 45 16.180 16.828 1.521 370 H GLU 46 H GLU 46 18.006 18.005 7.943 371 HA GLU 46 HA GLU 46 17.142 20.651 8.809 372 HB2 GLU 46 HB2 GLU 46 19.919 19.507 8.304 373 HB3 GLU 46 HB3 GLU 46 19.569 21.059 9.080 374 HG2 GLU 46 HG2 GLU 46 18.238 19.817 10.829 375 HG3 GLU 46 HG3 GLU 46 18.833 18.301 10.141 376 H GLU 47 H GLU 47 17.904 19.355 5.728 377 HA GLU 47 HA GLU 47 17.696 21.947 4.386 378 HB2 GLU 47 HB2 GLU 47 19.725 21.758 3.119 379 HB3 GLU 47 HB3 GLU 47 20.124 21.760 4.835 380 HG2 GLU 47 HG2 GLU 47 20.318 19.232 4.722 381 HG3 GLU 47 HG3 GLU 47 20.091 19.341 2.973 382 H1 GLY 1 H1 GLY 1 -10.906 31.489 -28.931 383 H2 GLY 1 H2 GLY 1 -9.374 31.612 -28.362 384 H3 GLY 1 H3 GLY 1 -10.449 32.816 -28.087 385 HA2 GLY 1 HA2 GLY 1 -11.798 31.393 -26.697 386 HA3 GLY 1 HA3 GLY 1 -10.652 30.077 -27.010 387 H SER 2 H SER 2 -11.492 31.532 -24.483 388 HA SER 2 HA SER 2 -9.330 33.104 -23.487 389 HB2 SER 2 HB2 SER 2 -11.347 31.429 -21.945 390 HB3 SER 2 HB3 SER 2 -10.361 32.753 -21.297 391 HG SER 2 HG SER 2 -12.479 33.446 -21.864 392 H HIS 3 H HIS 3 -7.725 32.645 -21.949 393 HA HIS 3 HA HIS 3 -6.340 30.120 -22.211 394 HB2 HIS 3 HB2 HIS 3 -5.849 32.423 -20.289 395 HB3 HIS 3 HB3 HIS 3 -4.718 31.131 -20.680 396 HD1 HIS 3 HD1 HIS 3 -4.073 31.104 -23.515 397 HD2 HIS 3 HD2 HIS 3 -5.589 34.595 -21.715 398 HE1 HIS 3 HE1 HIS 3 -3.523 33.022 -25.101 399 H MET 4 H MET 4 -5.578 28.835 -20.364 400 HA MET 4 HA MET 4 -7.339 28.608 -18.013 401 HB2 MET 4 HB2 MET 4 -7.901 26.308 -18.422 402 HB3 MET 4 HB3 MET 4 -8.489 27.286 -19.752 403 HG2 MET 4 HG2 MET 4 -5.933 25.618 -19.804 404 HG3 MET 4 HG3 MET 4 -7.492 25.064 -20.376 405 HE1 MET 4 HE1 MET 4 -8.759 27.403 -22.039 406 HE2 MET 4 HE2 MET 4 -8.111 27.040 -23.650 407 HE3 MET 4 HE3 MET 4 -8.649 25.717 -22.593 408 H GLU 5 H GLU 5 -6.502 27.235 -16.340 409 HA GLU 5 HA GLU 5 -3.589 27.315 -16.184 410 HB2 GLU 5 HB2 GLU 5 -5.677 26.324 -14.200 411 HB3 GLU 5 HB3 GLU 5 -3.947 26.487 -13.874 412 HG2 GLU 5 HG2 GLU 5 -4.131 28.945 -14.418 413 HG3 GLU 5 HG3 GLU 5 -5.883 28.744 -14.539 414 H TYR 6 H TYR 6 -5.676 24.928 -17.325 415 HA TYR 6 HA TYR 6 -3.556 22.887 -17.325 416 HB2 TYR 6 HB2 TYR 6 -4.959 22.745 -15.129 417 HB3 TYR 6 HB3 TYR 6 -6.250 22.141 -16.146 418 HD1 TYR 6 HD1 TYR 6 -2.910 21.516 -14.735 419 HD2 TYR 6 HD2 TYR 6 -6.059 19.859 -17.176 420 HE1 TYR 6 HE1 TYR 6 -1.984 19.243 -14.388 421 HE2 TYR 6 HE2 TYR 6 -5.011 17.617 -16.984 422 HH TYR 6 HH TYR 6 -2.974 16.578 -16.509 423 H ASP 7 H ASP 7 -3.727 21.429 -18.995 424 HA ASP 7 HA ASP 7 -6.166 21.412 -20.706 425 HB2 ASP 7 HB2 ASP 7 -4.870 21.845 -22.686 426 HB3 ASP 7 HB3 ASP 7 -4.597 23.138 -21.529 427 H GLY 8 H GLY 8 -4.530 19.463 -18.910 428 HA2 GLY 8 HA2 GLY 8 -4.870 17.002 -19.175 429 HA3 GLY 8 HA3 GLY 8 -4.287 17.166 -20.828 430 H GLN 9 H GLN 9 -2.129 19.067 -20.153 431 HA GLN 9 HA GLN 9 -0.053 17.173 -19.343 432 HB2 GLN 9 HB2 GLN 9 0.180 18.877 -21.168 433 HB3 GLN 9 HB3 GLN 9 0.015 20.144 -19.951 434 HG2 GLN 9 HG2 GLN 9 2.143 18.435 -19.046 435 HG3 GLN 9 HG3 GLN 9 2.387 18.654 -20.767 436 HE21 GLN 9 HE21 GLN 9 3.102 20.010 -17.764 437 HE22 GLN 9 HE22 GLN 9 3.403 21.655 -18.312 438 H LEU 10 H LEU 10 0.779 16.923 -17.280 439 HA LEU 10 HA LEU 10 -0.068 18.714 -15.158 440 HB2 LEU 10 HB2 LEU 10 0.408 16.217 -14.914 441 HB3 LEU 10 HB3 LEU 10 2.125 16.622 -14.916 442 HG LEU 10 HG LEU 10 1.073 16.147 -12.753 443 HD11 LEU 10 HD11 LEU 10 1.848 19.010 -12.538 444 HD12 LEU 10 HD12 LEU 10 3.037 17.797 -13.043 445 HD13 LEU 10 HD13 LEU 10 2.194 17.612 -11.491 446 HD21 LEU 10 HD21 LEU 10 -0.334 18.784 -12.645 447 HD22 LEU 10 HD22 LEU 10 -0.772 17.199 -11.961 448 HD23 LEU 10 HD23 LEU 10 -1.067 17.509 -13.622 449 H ASP 11 H ASP 11 0.783 20.484 -14.491 450 HA ASP 11 HA ASP 11 2.964 21.746 -15.801 451 HB2 ASP 11 HB2 ASP 11 0.868 22.577 -14.306 452 HB3 ASP 11 HB3 ASP 11 2.088 22.563 -13.060 453 H SER 12 H SER 12 5.134 21.794 -15.339 454 HA SER 12 HA SER 12 6.277 19.681 -13.890 455 HB2 SER 12 HB2 SER 12 7.616 22.304 -14.561 456 HB3 SER 12 HB3 SER 12 8.406 20.739 -14.235 457 HG SER 12 HG SER 12 8.204 21.165 -16.494 458 H GLU 13 H GLU 13 5.351 22.792 -12.700 459 HA GLU 13 HA GLU 13 6.751 22.950 -10.226 460 HB2 GLU 13 HB2 GLU 13 4.069 23.998 -11.214 461 HB3 GLU 13 HB3 GLU 13 4.711 24.405 -9.635 462 HG2 GLU 13 HG2 GLU 13 6.111 24.945 -12.289 463 HG3 GLU 13 HG3 GLU 13 5.144 26.124 -11.410 464 H TRP 14 H TRP 14 3.855 21.084 -11.102 465 HA TRP 14 HA TRP 14 3.479 20.362 -8.250 466 HB2 TRP 14 HB2 TRP 14 1.604 19.357 -10.309 467 HB3 TRP 14 HB3 TRP 14 1.335 19.829 -8.637 468 HD1 TRP 14 HD1 TRP 14 0.394 20.883 -11.880 469 HE1 TRP 14 HE1 TRP 14 -0.009 23.420 -12.116 470 HE3 TRP 14 HE3 TRP 14 2.291 22.458 -7.399 471 HZ2 TRP 14 HZ2 TRP 14 0.501 25.810 -10.607 472 HZ3 TRP 14 HZ3 TRP 14 2.297 24.868 -6.800 473 HH2 TRP 14 HH2 TRP 14 1.435 26.559 -8.403 474 H GLU 15 H GLU 15 4.378 18.915 -11.310 475 HA GLU 15 HA GLU 15 4.638 16.164 -10.638 476 HB2 GLU 15 HB2 GLU 15 4.954 16.770 -12.886 477 HB3 GLU 15 HB3 GLU 15 6.064 18.070 -12.477 478 HG2 GLU 15 HG2 GLU 15 7.175 16.229 -13.602 479 HG3 GLU 15 HG3 GLU 15 7.848 16.562 -12.016 480 H LYS 16 H LYS 16 6.914 18.879 -10.198 481 HA LYS 16 HA LYS 16 8.945 17.252 -8.946 482 HB2 LYS 16 HB2 LYS 16 10.084 19.287 -8.378 483 HB3 LYS 16 HB3 LYS 16 9.479 19.324 -10.030 484 HG2 LYS 16 HG2 LYS 16 8.873 21.390 -9.497 485 HG3 LYS 16 HG3 LYS 16 7.438 20.586 -8.877 486 HD2 LYS 16 HD2 LYS 16 8.382 20.621 -6.580 487 HD3 LYS 16 HD3 LYS 16 9.881 21.336 -7.177 488 HE2 LYS 16 HE2 LYS 16 7.140 22.634 -7.462 489 HE3 LYS 16 HE3 LYS 16 8.217 22.955 -6.106 490 HZ1 LYS 16 HZ1 LYS 16 8.281 24.499 -8.170 491 HZ2 LYS 16 HZ2 LYS 16 9.178 23.348 -8.869 492 HZ3 LYS 16 HZ3 LYS 16 9.724 24.053 -7.497 493 H LEU 17 H LEU 17 6.135 18.816 -7.562 494 HA LEU 17 HA LEU 17 6.922 18.541 -4.770 495 HB2 LEU 17 HB2 LEU 17 4.190 18.815 -6.067 496 HB3 LEU 17 HB3 LEU 17 4.475 18.915 -4.346 497 HG LEU 17 HG LEU 17 5.847 20.774 -6.316 498 HD11 LEU 17 HD11 LEU 17 3.259 20.809 -6.297 499 HD12 LEU 17 HD12 LEU 17 4.144 22.327 -6.055 500 HD13 LEU 17 HD13 LEU 17 3.424 21.478 -4.661 501 HD21 LEU 17 HD21 LEU 17 5.988 22.207 -4.270 502 HD22 LEU 17 HD22 LEU 17 6.959 20.727 -4.170 503 HD23 LEU 17 HD23 LEU 17 5.401 20.814 -3.318 504 H VAL 18 H VAL 18 4.708 16.631 -6.925 505 HA VAL 18 HA VAL 18 4.219 14.660 -4.871 506 HB VAL 18 HB VAL 18 2.676 14.989 -6.696 507 HG11 VAL 18 HG11 VAL 18 4.108 15.449 -8.554 508 HG12 VAL 18 HG12 VAL 18 4.862 13.864 -8.456 509 HG13 VAL 18 HG13 VAL 18 3.158 13.990 -8.939 510 HG21 VAL 18 HG21 VAL 18 3.827 12.180 -6.849 511 HG22 VAL 18 HG22 VAL 18 2.780 12.769 -5.540 512 HG23 VAL 18 HG23 VAL 18 2.175 12.697 -7.210 513 H ARG 19 H ARG 19 6.625 14.650 -7.563 514 HA ARG 19 HA ARG 19 7.834 12.176 -6.839 515 HB2 ARG 19 HB2 ARG 19 8.035 13.634 -8.988 516 HB3 ARG 19 HB3 ARG 19 9.284 14.539 -8.110 517 HG2 ARG 19 HG2 ARG 19 10.531 12.371 -7.787 518 HG3 ARG 19 HG3 ARG 19 9.209 11.546 -8.637 519 HD2 ARG 19 HD2 ARG 19 11.003 11.789 -10.148 520 HD3 ARG 19 HD3 ARG 19 9.673 12.800 -10.679 521 HE ARG 19 HE ARG 19 12.183 13.755 -9.316 522 HH11 ARG 19 HH11 ARG 19 9.466 14.588 -11.432 523 HH12 ARG 19 HH12 ARG 19 10.217 16.104 -11.866 524 HH21 ARG 19 HH21 ARG 19 12.996 15.717 -9.903 525 HH22 ARG 19 HH22 ARG 19 12.120 16.734 -11.003 526 H ASP 20 H ASP 20 8.548 15.495 -5.680 527 HA ASP 20 HA ASP 20 10.644 14.843 -3.868 528 HB2 ASP 20 HB2 ASP 20 8.541 16.959 -4.129 529 HB3 ASP 20 HB3 ASP 20 9.194 16.729 -2.522 530 H ALA 21 H ALA 21 7.042 14.575 -3.402 531 HA ALA 21 HA ALA 21 7.336 13.785 -0.660 532 HB1 ALA 21 HB1 ALA 21 5.244 14.602 -1.322 533 HB2 ALA 21 HB2 ALA 21 5.081 13.447 -2.670 534 HB3 ALA 21 HB3 ALA 21 4.971 12.886 -0.993 535 H MET 22 H MET 22 6.961 11.842 -3.644 536 HA MET 22 HA MET 22 7.018 9.302 -2.408 537 HB2 MET 22 HB2 MET 22 8.063 10.083 -5.133 538 HB3 MET 22 HB3 MET 22 7.739 8.442 -4.562 539 HG2 MET 22 HG2 MET 22 5.856 10.424 -5.641 540 HG3 MET 22 HG3 MET 22 5.815 8.727 -5.635 541 HE1 MET 22 HE1 MET 22 3.771 7.487 -2.989 542 HE2 MET 22 HE2 MET 22 5.137 7.259 -4.097 543 HE3 MET 22 HE3 MET 22 5.448 7.736 -2.415 544 H THR 23 H THR 23 9.749 11.324 -3.544 545 HA THR 23 HA THR 23 11.745 9.321 -2.769 546 HB THR 23 HB THR 23 13.405 10.981 -3.502 547 HG1 THR 23 HG1 THR 23 11.213 12.529 -4.358 548 HG21 THR 23 HG21 THR 23 11.150 10.522 -5.499 549 HG22 THR 23 HG22 THR 23 12.511 9.438 -5.175 550 HG23 THR 23 HG23 THR 23 12.808 11.024 -5.896 551 H SER 24 H SER 24 10.521 12.321 -1.275 552 HA SER 24 HA SER 24 12.638 12.270 0.716 553 HB2 SER 24 HB2 SER 24 11.618 14.358 -0.347 554 HB3 SER 24 HB3 SER 24 10.280 14.173 0.801 555 HG SER 24 HG SER 24 11.908 14.104 2.465 556 H GLY 25 H GLY 25 10.170 10.230 0.564 557 HA2 GLY 25 HA2 GLY 25 9.398 8.721 2.127 558 HA3 GLY 25 HA3 GLY 25 10.349 9.541 3.367 559 H VAL 26 H VAL 26 7.917 11.260 1.501 560 HA VAL 26 HA VAL 26 6.462 12.074 3.911 561 HB VAL 26 HB VAL 26 6.359 12.745 0.987 562 HG11 VAL 26 HG11 VAL 26 4.062 12.928 1.384 563 HG12 VAL 26 HG12 VAL 26 4.307 13.664 2.970 564 HG13 VAL 26 HG13 VAL 26 4.736 14.562 1.502 565 HG21 VAL 26 HG21 VAL 26 6.971 14.284 3.529 566 HG22 VAL 26 HG22 VAL 26 8.137 13.734 2.315 567 HG23 VAL 26 HG23 VAL 26 6.963 14.986 1.906 568 H SER 27 H SER 27 4.252 11.826 4.314 569 HA SER 27 HA SER 27 3.207 9.213 3.990 570 HB2 SER 27 HB2 SER 27 1.758 11.740 4.810 571 HB3 SER 27 HB3 SER 27 1.209 10.068 5.040 572 HG SER 27 HG SER 27 2.977 11.560 6.487 573 H LYS 28 H LYS 28 3.124 8.779 1.755 574 HA LYS 28 HA LYS 28 1.600 10.216 -0.154 575 HB2 LYS 28 HB2 LYS 28 1.754 8.353 -1.610 576 HB3 LYS 28 HB3 LYS 28 3.284 8.595 -0.805 577 HG2 LYS 28 HG2 LYS 28 1.239 6.453 -0.036 578 HG3 LYS 28 HG3 LYS 28 2.546 6.205 -1.176 579 HD2 LYS 28 HD2 LYS 28 2.890 6.774 1.794 580 HD3 LYS 28 HD3 LYS 28 3.088 5.234 0.970 581 HE2 LYS 28 HE2 LYS 28 4.935 6.182 -0.402 582 HE3 LYS 28 HE3 LYS 28 4.797 7.718 0.465 583 HZ1 LYS 28 HZ1 LYS 28 6.540 6.305 1.401 584 HZ2 LYS 28 HZ2 LYS 28 5.479 5.113 1.727 585 HZ3 LYS 28 HZ3 LYS 28 5.377 6.541 2.519 586 H LYS 29 H LYS 29 0.391 8.038 2.297 587 HA LYS 29 HA LYS 29 -2.288 7.743 1.294 588 HB2 LYS 29 HB2 LYS 29 -2.869 7.257 3.619 589 HB3 LYS 29 HB3 LYS 29 -1.458 6.354 3.067 590 HG2 LYS 29 HG2 LYS 29 -0.312 8.625 4.249 591 HG3 LYS 29 HG3 LYS 29 -1.737 8.361 5.239 592 HD2 LYS 29 HD2 LYS 29 -1.013 5.971 5.562 593 HD3 LYS 29 HD3 LYS 29 0.438 6.324 4.592 594 HE2 LYS 29 HE2 LYS 29 1.132 8.043 6.249 595 HE3 LYS 29 HE3 LYS 29 -0.326 7.725 7.197 596 HZ1 LYS 29 HZ1 LYS 29 1.822 5.734 6.672 597 HZ2 LYS 29 HZ2 LYS 29 0.475 5.450 7.553 598 HZ3 LYS 29 HZ3 LYS 29 1.587 6.519 8.083 599 H GLN 30 H GLN 30 -0.708 10.419 3.030 600 HA GLN 30 HA GLN 30 -3.167 11.826 3.617 601 HB2 GLN 30 HB2 GLN 30 -0.275 12.794 3.376 602 HB3 GLN 30 HB3 GLN 30 -1.581 13.854 3.817 603 HG2 GLN 30 HG2 GLN 30 -0.766 11.331 5.336 604 HG3 GLN 30 HG3 GLN 30 -0.324 12.975 5.791 605 HE21 GLN 30 HE21 GLN 30 -1.967 10.861 7.242 606 HE22 GLN 30 HE22 GLN 30 -3.483 11.684 7.570 607 H PHE 31 H PHE 31 -1.001 11.723 0.788 608 HA PHE 31 HA PHE 31 -2.015 14.020 -0.561 609 HB2 PHE 31 HB2 PHE 31 -0.263 11.775 -1.153 610 HB3 PHE 31 HB3 PHE 31 -1.364 12.016 -2.486 611 HD1 PHE 31 HD1 PHE 31 -0.395 13.249 -4.214 612 HD2 PHE 31 HD2 PHE 31 0.438 14.337 -0.121 613 HE1 PHE 31 HE1 PHE 31 1.140 15.026 -4.990 614 HE2 PHE 31 HE2 PHE 31 1.836 16.217 -0.909 615 HZ PHE 31 HZ PHE 31 2.246 16.540 -3.349 616 H ARG 32 H ARG 32 -3.131 10.612 -0.791 617 HA ARG 32 HA ARG 32 -5.292 11.215 -2.577 618 HB2 ARG 32 HB2 ARG 32 -4.413 8.963 -2.414 619 HB3 ARG 32 HB3 ARG 32 -4.760 8.898 -0.687 620 HG2 ARG 32 HG2 ARG 32 -6.414 7.587 -1.948 621 HG3 ARG 32 HG3 ARG 32 -7.184 8.930 -1.137 622 HD2 ARG 32 HD2 ARG 32 -6.918 10.190 -3.443 623 HD3 ARG 32 HD3 ARG 32 -6.654 8.604 -4.124 624 HE ARG 32 HE ARG 32 -9.145 9.767 -3.055 625 HH11 ARG 32 HH11 ARG 32 -7.762 6.639 -3.908 626 HH12 ARG 32 HH12 ARG 32 -9.348 5.928 -4.036 627 HH21 ARG 32 HH21 ARG 32 -10.955 8.872 -3.172 628 HH22 ARG 32 HH22 ARG 32 -11.180 7.177 -3.625 629 H GLU 33 H GLU 33 -5.375 10.710 0.966 630 HA GLU 33 HA GLU 33 -8.206 11.212 1.190 631 HB2 GLU 33 HB2 GLU 33 -6.036 11.607 3.290 632 HB3 GLU 33 HB3 GLU 33 -7.776 11.497 3.574 633 HG2 GLU 33 HG2 GLU 33 -5.868 9.307 2.835 634 HG3 GLU 33 HG3 GLU 33 -6.944 9.427 4.225 635 H PHE 34 H PHE 34 -5.409 13.482 1.502 636 HA PHE 34 HA PHE 34 -6.999 15.765 2.106 637 HB2 PHE 34 HB2 PHE 34 -4.522 15.381 2.512 638 HB3 PHE 34 HB3 PHE 34 -4.261 15.816 0.824 639 HD1 PHE 34 HD1 PHE 34 -4.827 18.238 0.101 640 HD2 PHE 34 HD2 PHE 34 -4.908 16.928 4.217 641 HE1 PHE 34 HE1 PHE 34 -4.835 20.575 0.854 642 HE2 PHE 34 HE2 PHE 34 -4.817 19.289 4.967 643 HZ PHE 34 HZ PHE 34 -4.773 21.125 3.291 644 H LEU 35 H LEU 35 -5.927 14.395 -1.051 645 HA LEU 35 HA LEU 35 -6.801 16.485 -2.740 646 HB2 LEU 35 HB2 LEU 35 -6.009 13.733 -3.062 647 HB3 LEU 35 HB3 LEU 35 -7.555 13.876 -3.846 648 HG LEU 35 HG LEU 35 -5.890 14.216 -5.472 649 HD11 LEU 35 HD11 LEU 35 -6.756 17.050 -4.929 650 HD12 LEU 35 HD12 LEU 35 -7.935 15.806 -5.399 651 HD13 LEU 35 HD13 LEU 35 -6.584 16.168 -6.462 652 HD21 LEU 35 HD21 LEU 35 -4.058 14.752 -3.952 653 HD22 LEU 35 HD22 LEU 35 -4.729 16.372 -3.696 654 HD23 LEU 35 HD23 LEU 35 -4.155 15.867 -5.310 655 H ASP 36 H ASP 36 -8.680 13.619 -1.642 656 HA ASP 36 HA ASP 36 -11.129 14.522 -2.822 657 HB2 ASP 36 HB2 ASP 36 -10.613 12.424 -0.713 658 HB3 ASP 36 HB3 ASP 36 -12.170 12.707 -1.495 659 H TYR 37 H TYR 37 -9.826 14.939 0.465 660 HA TYR 37 HA TYR 37 -12.020 16.309 1.644 661 HB2 TYR 37 HB2 TYR 37 -10.281 15.662 3.021 662 HB3 TYR 37 HB3 TYR 37 -9.045 16.298 1.962 663 HD1 TYR 37 HD1 TYR 37 -12.029 18.015 3.518 664 HD2 TYR 37 HD2 TYR 37 -7.736 17.746 3.182 665 HE1 TYR 37 HE1 TYR 37 -11.778 20.054 4.922 666 HE2 TYR 37 HE2 TYR 37 -7.493 19.762 4.609 667 HH TYR 37 HH TYR 37 -8.565 21.430 5.755 668 H GLN 38 H GLN 38 -9.220 17.810 -0.174 669 HA GLN 38 HA GLN 38 -10.470 20.406 -0.122 670 HB2 GLN 38 HB2 GLN 38 -8.309 19.295 -1.953 671 HB3 GLN 38 HB3 GLN 38 -8.863 20.954 -2.010 672 HG2 GLN 38 HG2 GLN 38 -7.405 19.560 0.251 673 HG3 GLN 38 HG3 GLN 38 -6.828 20.895 -0.756 674 HE21 GLN 38 HE21 GLN 38 -6.857 20.805 2.146 675 HE22 GLN 38 HE22 GLN 38 -7.861 22.164 2.628 676 H LYS 39 H LYS 39 -10.679 17.776 -2.541 677 HA LYS 39 HA LYS 39 -12.126 19.152 -4.576 678 HB2 LYS 39 HB2 LYS 39 -12.060 16.307 -3.551 679 HB3 LYS 39 HB3 LYS 39 -13.163 16.746 -4.843 680 HG2 LYS 39 HG2 LYS 39 -11.515 17.090 -6.370 681 HG3 LYS 39 HG3 LYS 39 -10.211 17.345 -5.222 682 HD2 LYS 39 HD2 LYS 39 -9.996 15.054 -4.793 683 HD3 LYS 39 HD3 LYS 39 -11.652 14.678 -5.293 684 HE2 LYS 39 HE2 LYS 39 -11.069 14.994 -7.639 685 HE3 LYS 39 HE3 LYS 39 -9.435 15.493 -7.211 686 HZ1 LYS 39 HZ1 LYS 39 -9.454 13.100 -7.761 687 HZ2 LYS 39 HZ2 LYS 39 -10.657 12.816 -6.682 688 HZ3 LYS 39 HZ3 LYS 39 -9.197 13.231 -6.142 689 H TRP 40 H TRP 40 -13.428 17.368 -1.734 690 HA TRP 40 HA TRP 40 -16.150 18.258 -2.237 691 HB2 TRP 40 HB2 TRP 40 -14.757 16.497 -0.290 692 HB3 TRP 40 HB3 TRP 40 -16.258 17.204 0.246 693 HD1 TRP 40 HD1 TRP 40 -18.363 15.988 -0.296 694 HE1 TRP 40 HE1 TRP 40 -19.069 14.040 -1.782 695 HE3 TRP 40 HE3 TRP 40 -14.061 15.411 -3.010 696 HZ2 TRP 40 HZ2 TRP 40 -18.030 12.614 -4.076 697 HZ3 TRP 40 HZ3 TRP 40 -13.968 13.788 -4.889 698 HH2 TRP 40 HH2 TRP 40 -15.953 12.395 -5.437 699 H ARG 41 H ARG 41 -13.615 20.031 -0.899 700 HA ARG 41 HA ARG 41 -15.480 21.817 0.644 701 HB2 ARG 41 HB2 ARG 41 -12.587 21.119 0.835 702 HB3 ARG 41 HB3 ARG 41 -12.903 22.825 0.863 703 HG2 ARG 41 HG2 ARG 41 -12.762 22.042 3.114 704 HG3 ARG 41 HG3 ARG 41 -14.392 22.595 2.810 705 HD2 ARG 41 HD2 ARG 41 -13.563 19.642 2.763 706 HD3 ARG 41 HD3 ARG 41 -14.185 20.459 4.179 707 HE ARG 41 HE ARG 41 -15.674 19.766 1.715 708 HH11 ARG 41 HH11 ARG 41 -17.782 19.810 1.663 709 HH12 ARG 41 HH12 ARG 41 -18.725 20.349 3.036 710 HH21 ARG 41 HH21 ARG 41 -15.961 21.348 4.860 711 HH22 ARG 41 HH22 ARG 41 -17.699 21.181 4.827 712 H LYS 42 H LYS 42 -13.059 21.936 -1.950 713 HA LYS 42 HA LYS 42 -13.710 24.672 -2.778 714 HB2 LYS 42 HB2 LYS 42 -11.887 22.466 -3.830 715 HB3 LYS 42 HB3 LYS 42 -12.294 23.839 -4.835 716 HG2 LYS 42 HG2 LYS 42 -10.228 24.297 -3.849 717 HG3 LYS 42 HG3 LYS 42 -11.394 25.420 -3.181 718 HD2 LYS 42 HD2 LYS 42 -10.780 22.909 -1.608 719 HD3 LYS 42 HD3 LYS 42 -9.517 24.109 -1.782 720 HE2 LYS 42 HE2 LYS 42 -11.309 25.845 -1.000 721 HE3 LYS 42 HE3 LYS 42 -12.197 24.431 -0.417 722 HZ1 LYS 42 HZ1 LYS 42 -10.758 25.214 1.339 723 HZ2 LYS 42 HZ2 LYS 42 -9.449 25.251 0.350 724 HZ3 LYS 42 HZ3 LYS 42 -10.074 23.816 0.771 725 H SER 43 H SER 43 -14.194 21.460 -4.336 726 HA SER 43 HA SER 43 -15.895 22.736 -6.403 727 HB2 SER 43 HB2 SER 43 -14.083 21.196 -7.063 728 HB3 SER 43 HB3 SER 43 -14.865 19.889 -6.163 729 HG SER 43 HG SER 43 -15.816 21.260 -8.463 730 H GLN 44 H GLN 44 -16.174 20.399 -3.724 731 HA GLN 44 HA GLN 44 -17.949 19.524 -2.638 732 HB2 GLN 44 HB2 GLN 44 -18.334 22.201 -2.749 733 HB3 GLN 44 HB3 GLN 44 -19.844 21.684 -3.479 734 HG2 GLN 44 HG2 GLN 44 -18.732 20.915 -0.741 735 HG3 GLN 44 HG3 GLN 44 -20.021 22.055 -1.055 736 HE21 GLN 44 HE21 GLN 44 -19.226 18.623 -0.763 737 HE22 GLN 44 HE22 GLN 44 -20.926 18.104 -0.807 738 H LYS 45 H LYS 45 -17.438 18.473 -5.142 739 HA LYS 45 HA LYS 45 -19.591 18.508 -6.955 740 HB2 LYS 45 HB2 LYS 45 -18.218 16.983 -8.249 741 HB3 LYS 45 HB3 LYS 45 -17.270 18.279 -7.543 742 HG2 LYS 45 HG2 LYS 45 -16.767 16.492 -5.620 743 HG3 LYS 45 HG3 LYS 45 -17.258 15.332 -6.852 744 HD2 LYS 45 HD2 LYS 45 -15.037 17.407 -7.023 745 HD3 LYS 45 HD3 LYS 45 -14.831 15.655 -6.848 746 HE2 LYS 45 HE2 LYS 45 -15.985 15.360 -9.086 747 HE3 LYS 45 HE3 LYS 45 -16.008 17.122 -9.255 748 HZ1 LYS 45 HZ1 LYS 45 -14.092 16.255 -10.388 749 HZ2 LYS 45 HZ2 LYS 45 -13.583 15.422 -9.079 750 HZ3 LYS 45 HZ3 LYS 45 -13.537 17.057 -9.070 751 H GLU 46 H GLU 46 -18.897 16.063 -4.510 752 HA GLU 46 HA GLU 46 -19.965 14.150 -3.887 753 HB2 GLU 46 HB2 GLU 46 -22.439 15.746 -4.601 754 HB3 GLU 46 HB3 GLU 46 -22.357 14.332 -3.530 755 HG2 GLU 46 HG2 GLU 46 -20.705 15.570 -2.102 756 HG3 GLU 46 HG3 GLU 46 -20.987 17.012 -3.076 757 H GLU 47 H GLU 47 -18.949 13.863 -6.433 758 HA GLU 47 HA GLU 47 -20.735 12.479 -8.246 759 HB2 GLU 47 HB2 GLU 47 -17.708 12.482 -7.946 760 HB3 GLU 47 HB3 GLU 47 -18.561 11.654 -9.241 761 HG2 GLU 47 HG2 GLU 47 -18.645 14.654 -8.709 762 HG3 GLU 47 HG3 GLU 47 -17.650 13.858 -9.916 763 H1 GLY 1 H1 GLY 1 -6.744 0.108 26.306 764 H2 GLY 1 H2 GLY 1 -6.947 -1.516 26.221 765 H3 GLY 1 H3 GLY 1 -5.769 -0.887 27.171 766 HA2 GLY 1 HA2 GLY 1 -7.618 -1.625 28.526 767 HA3 GLY 1 HA3 GLY 1 -7.373 0.128 28.635 768 H SER 2 H SER 2 -9.813 -1.727 28.886 769 HA SER 2 HA SER 2 -11.556 -1.208 26.671 770 HB2 SER 2 HB2 SER 2 -12.256 -2.022 29.517 771 HB3 SER 2 HB3 SER 2 -13.272 -2.218 28.075 772 HG SER 2 HG SER 2 -12.149 -4.148 28.599 773 H HIS 3 H HIS 3 -10.800 0.815 29.397 774 HA HIS 3 HA HIS 3 -13.304 2.207 29.620 775 HB2 HIS 3 HB2 HIS 3 -10.521 3.117 30.432 776 HB3 HIS 3 HB3 HIS 3 -12.047 3.796 30.992 777 HD1 HIS 3 HD1 HIS 3 -13.666 1.801 32.351 778 HD2 HIS 3 HD2 HIS 3 -9.511 1.244 31.950 779 HE1 HIS 3 HE1 HIS 3 -13.016 0.022 34.056 780 H MET 4 H MET 4 -13.810 4.371 29.080 781 HA MET 4 HA MET 4 -13.168 5.145 26.383 782 HB2 MET 4 HB2 MET 4 -14.678 6.994 26.766 783 HB3 MET 4 HB3 MET 4 -15.394 5.488 27.310 784 HG2 MET 4 HG2 MET 4 -14.098 7.565 29.131 785 HG3 MET 4 HG3 MET 4 -15.810 7.487 28.773 786 HE1 MET 4 HE1 MET 4 -17.083 4.349 30.666 787 HE2 MET 4 HE2 MET 4 -17.510 5.772 29.692 788 HE3 MET 4 HE3 MET 4 -16.629 4.414 28.951 789 H GLU 5 H GLU 5 -12.104 6.951 25.598 790 HA GLU 5 HA GLU 5 -9.856 7.950 27.209 791 HB2 GLU 5 HB2 GLU 5 -10.656 8.454 24.313 792 HB3 GLU 5 HB3 GLU 5 -9.165 9.010 25.083 793 HG2 GLU 5 HG2 GLU 5 -8.581 6.609 25.581 794 HG3 GLU 5 HG3 GLU 5 -10.004 6.106 24.664 795 H TYR 6 H TYR 6 -13.000 9.014 26.854 796 HA TYR 6 HA TYR 6 -12.394 11.787 27.696 797 HB2 TYR 6 HB2 TYR 6 -12.473 11.673 25.161 798 HB3 TYR 6 HB3 TYR 6 -14.138 11.136 25.285 799 HD1 TYR 6 HD1 TYR 6 -15.910 12.713 26.111 800 HD2 TYR 6 HD2 TYR 6 -11.826 13.958 25.508 801 HE1 TYR 6 HE1 TYR 6 -16.619 15.093 26.191 802 HE2 TYR 6 HE2 TYR 6 -12.560 16.332 25.361 803 HH TYR 6 HH TYR 6 -15.972 17.228 26.171 804 H ASP 7 H ASP 7 -14.007 12.689 28.959 805 HA ASP 7 HA ASP 7 -16.540 11.218 29.411 806 HB2 ASP 7 HB2 ASP 7 -14.789 10.155 30.829 807 HB3 ASP 7 HB3 ASP 7 -14.507 11.705 31.619 808 H GLY 8 H GLY 8 -16.841 13.405 28.191 809 HA2 GLY 8 HA2 GLY 8 -18.066 15.349 28.219 810 HA3 GLY 8 HA3 GLY 8 -18.391 15.056 29.927 811 H GLN 9 H GLN 9 -15.053 15.391 28.994 812 HA GLN 9 HA GLN 9 -14.860 18.223 29.869 813 HB2 GLN 9 HB2 GLN 9 -14.874 16.876 31.917 814 HB3 GLN 9 HB3 GLN 9 -13.633 15.814 31.262 815 HG2 GLN 9 HG2 GLN 9 -12.703 18.606 31.228 816 HG3 GLN 9 HG3 GLN 9 -13.291 18.177 32.819 817 HE21 GLN 9 HE21 GLN 9 -10.493 18.125 30.914 818 HE22 GLN 9 HE22 GLN 9 -9.655 16.874 31.825 819 H LEU 10 H LEU 10 -13.385 19.262 28.638 820 HA LEU 10 HA LEU 10 -11.732 17.784 26.803 821 HB2 LEU 10 HB2 LEU 10 -12.864 20.077 26.483 822 HB3 LEU 10 HB3 LEU 10 -11.500 20.769 27.354 823 HG LEU 10 HG LEU 10 -11.504 20.956 24.898 824 HD11 LEU 10 HD11 LEU 10 -9.139 19.261 25.519 825 HD12 LEU 10 HD12 LEU 10 -9.361 20.841 26.298 826 HD13 LEU 10 HD13 LEU 10 -9.303 20.732 24.528 827 HD21 LEU 10 HD21 LEU 10 -11.802 19.227 23.514 828 HD22 LEU 10 HD22 LEU 10 -12.377 18.378 24.884 829 HD23 LEU 10 HD23 LEU 10 -10.691 18.150 24.401 830 H ASP 11 H ASP 11 -9.733 17.180 26.872 831 HA ASP 11 HA ASP 11 -8.220 17.237 29.310 832 HB2 ASP 11 HB2 ASP 11 -8.316 15.585 27.194 833 HB3 ASP 11 HB3 ASP 11 -7.024 16.616 26.628 834 H SER 12 H SER 12 -6.625 18.644 29.952 835 HA SER 12 HA SER 12 -6.527 21.249 28.888 836 HB2 SER 12 HB2 SER 12 -4.371 19.900 30.513 837 HB3 SER 12 HB3 SER 12 -4.678 21.650 30.377 838 HG SER 12 HG SER 12 -6.627 21.369 31.463 839 H GLU 13 H GLU 13 -4.661 18.503 27.937 840 HA GLU 13 HA GLU 13 -2.524 19.740 26.498 841 HB2 GLU 13 HB2 GLU 13 -3.959 17.068 26.259 842 HB3 GLU 13 HB3 GLU 13 -2.560 17.473 25.287 843 HG2 GLU 13 HG2 GLU 13 -2.534 17.488 28.341 844 HG3 GLU 13 HG3 GLU 13 -2.164 16.065 27.374 845 H TRP 14 H TRP 14 -5.886 19.170 25.571 846 HA TRP 14 HA TRP 14 -5.271 20.047 22.805 847 HB2 TRP 14 HB2 TRP 14 -8.031 19.272 23.532 848 HB3 TRP 14 HB3 TRP 14 -7.132 19.060 22.038 849 HD1 TRP 14 HD1 TRP 14 -8.632 17.043 24.494 850 HE1 TRP 14 HE1 TRP 14 -7.442 14.796 24.934 851 HE3 TRP 14 HE3 TRP 14 -4.253 17.903 21.989 852 HZ2 TRP 14 HZ2 TRP 14 -4.930 13.546 24.296 853 HZ3 TRP 14 HZ3 TRP 14 -2.485 16.161 21.892 854 HH2 TRP 14 HH2 TRP 14 -2.799 13.990 23.059 855 H GLU 15 H GLU 15 -7.004 21.111 25.661 856 HA GLU 15 HA GLU 15 -8.256 23.484 24.737 857 HB2 GLU 15 HB2 GLU 15 -8.695 22.880 26.967 858 HB3 GLU 15 HB3 GLU 15 -6.985 22.601 27.323 859 HG2 GLU 15 HG2 GLU 15 -6.530 25.002 27.250 860 HG3 GLU 15 HG3 GLU 15 -8.241 25.335 26.928 861 H LYS 16 H LYS 16 -4.929 22.927 25.858 862 HA LYS 16 HA LYS 16 -4.079 25.646 25.492 863 HB2 LYS 16 HB2 LYS 16 -1.837 24.885 25.899 864 HB3 LYS 16 HB3 LYS 16 -2.976 24.128 27.003 865 HG2 LYS 16 HG2 LYS 16 -1.794 22.292 26.541 866 HG3 LYS 16 HG3 LYS 16 -2.922 22.180 25.196 867 HD2 LYS 16 HD2 LYS 16 -1.239 23.327 23.721 868 HD3 LYS 16 HD3 LYS 16 -0.125 23.442 25.071 869 HE2 LYS 16 HE2 LYS 16 -1.143 20.799 23.925 870 HE3 LYS 16 HE3 LYS 16 0.308 21.630 23.366 871 HZ1 LYS 16 HZ1 LYS 16 -0.103 20.365 26.013 872 HZ2 LYS 16 HZ2 LYS 16 1.074 21.500 25.781 873 HZ3 LYS 16 HZ3 LYS 16 1.059 20.102 24.942 874 H LEU 17 H LEU 17 -4.189 22.996 23.214 875 HA LEU 17 HA LEU 17 -2.622 24.222 21.095 876 HB2 LEU 17 HB2 LEU 17 -4.769 22.077 21.047 877 HB3 LEU 17 HB3 LEU 17 -3.775 22.494 19.674 878 HG LEU 17 HG LEU 17 -2.581 21.561 22.307 879 HD11 LEU 17 HD11 LEU 17 -4.202 19.936 21.106 880 HD12 LEU 17 HD12 LEU 17 -2.570 19.376 21.508 881 HD13 LEU 17 HD13 LEU 17 -2.959 19.874 19.843 882 HD21 LEU 17 HD21 LEU 17 -0.687 20.973 20.780 883 HD22 LEU 17 HD22 LEU 17 -0.954 22.712 20.993 884 HD23 LEU 17 HD23 LEU 17 -1.515 21.920 19.508 885 H VAL 18 H VAL 18 -6.196 23.946 21.701 886 HA VAL 18 HA VAL 18 -6.830 25.523 19.359 887 HB VAL 18 HB VAL 18 -8.397 23.951 20.337 888 HG11 VAL 18 HG11 VAL 18 -8.477 25.896 22.661 889 HG12 VAL 18 HG12 VAL 18 -9.771 24.719 22.321 890 HG13 VAL 18 HG13 VAL 18 -8.103 24.180 22.658 891 HG21 VAL 18 HG21 VAL 18 -9.583 26.741 20.420 892 HG22 VAL 18 HG22 VAL 18 -9.211 25.864 18.930 893 HG23 VAL 18 HG23 VAL 18 -10.402 25.213 20.080 894 H ARG 19 H ARG 19 -6.440 26.515 22.794 895 HA ARG 19 HA ARG 19 -6.895 29.321 22.383 896 HB2 ARG 19 HB2 ARG 19 -5.283 27.662 24.368 897 HB3 ARG 19 HB3 ARG 19 -5.241 29.445 24.401 898 HG2 ARG 19 HG2 ARG 19 -7.713 29.425 24.564 899 HG3 ARG 19 HG3 ARG 19 -7.674 27.671 24.816 900 HD2 ARG 19 HD2 ARG 19 -6.401 29.846 26.544 901 HD3 ARG 19 HD3 ARG 19 -7.958 29.090 26.825 902 HE ARG 19 HE ARG 19 -7.001 27.180 27.659 903 HH11 ARG 19 HH11 ARG 19 -4.336 29.160 26.513 904 HH12 ARG 19 HH12 ARG 19 -3.199 28.329 27.535 905 HH21 ARG 19 HH21 ARG 19 -5.570 26.276 28.973 906 HH22 ARG 19 HH22 ARG 19 -3.873 26.700 28.875 907 H ASP 20 H ASP 20 -3.860 27.424 22.135 908 HA ASP 20 HA ASP 20 -2.140 29.505 21.290 909 HB2 ASP 20 HB2 ASP 20 -2.289 26.529 21.035 910 HB3 ASP 20 HB3 ASP 20 -1.290 27.331 19.842 911 H ALA 21 H ALA 21 -4.412 27.537 19.266 912 HA ALA 21 HA ALA 21 -3.539 28.743 16.804 913 HB1 ALA 21 HB1 ALA 21 -6.190 27.445 17.556 914 HB2 ALA 21 HB2 ALA 21 -5.666 27.836 15.912 915 HB3 ALA 21 HB3 ALA 21 -4.752 26.649 16.863 916 H MET 22 H MET 22 -6.181 29.549 19.085 917 HA MET 22 HA MET 22 -7.214 31.740 17.642 918 HB2 MET 22 HB2 MET 22 -7.178 31.318 20.642 919 HB3 MET 22 HB3 MET 22 -8.127 32.520 19.782 920 HG2 MET 22 HG2 MET 22 -8.768 29.728 20.266 921 HG3 MET 22 HG3 MET 22 -9.759 31.042 19.838 922 HE1 MET 22 HE1 MET 22 -9.105 31.849 16.674 923 HE2 MET 22 HE2 MET 22 -10.564 30.868 16.341 924 HE3 MET 22 HE3 MET 22 -10.424 31.790 17.859 925 H THR 23 H THR 23 -4.448 31.652 19.944 926 HA THR 23 HA THR 23 -4.049 34.556 19.696 927 HB THR 23 HB THR 23 -2.178 34.263 21.229 928 HG1 THR 23 HG1 THR 23 -1.406 32.262 20.800 929 HG21 THR 23 HG21 THR 23 -3.435 33.570 23.197 930 HG22 THR 23 HG22 THR 23 -4.680 32.817 22.181 931 HG23 THR 23 HG23 THR 23 -4.443 34.576 22.139 932 H SER 24 H SER 24 -2.449 31.666 18.308 933 HA SER 24 HA SER 24 -0.227 33.287 17.371 934 HB2 SER 24 HB2 SER 24 -0.162 30.861 18.225 935 HB3 SER 24 HB3 SER 24 -0.657 30.389 16.586 936 HG SER 24 HG SER 24 1.133 31.630 15.826 937 H GLY 25 H GLY 25 -3.195 33.387 16.222 938 HA2 GLY 25 HA2 GLY 25 -4.008 34.367 14.296 939 HA3 GLY 25 HA3 GLY 25 -2.357 34.483 13.679 940 H VAL 26 H VAL 26 -3.592 31.364 14.589 941 HA VAL 26 HA VAL 26 -3.105 30.190 11.993 942 HB VAL 26 HB VAL 26 -4.248 29.215 14.601 943 HG11 VAL 26 HG11 VAL 26 -5.355 27.704 13.291 944 HG12 VAL 26 HG12 VAL 26 -4.052 27.608 12.112 945 HG13 VAL 26 HG13 VAL 26 -3.844 26.872 13.716 946 HG21 VAL 26 HG21 VAL 26 -1.840 29.727 14.565 947 HG22 VAL 26 HG22 VAL 26 -2.081 27.988 14.695 948 HG23 VAL 26 HG23 VAL 26 -1.627 28.702 13.139 949 H SER 27 H SER 27 -4.540 29.285 10.510 950 HA SER 27 HA SER 27 -6.791 30.808 9.858 951 HB2 SER 27 HB2 SER 27 -6.128 27.984 8.982 952 HB3 SER 27 HB3 SER 27 -7.317 29.049 8.214 953 HG SER 27 HG SER 27 -4.558 29.034 8.073 954 H LYS 28 H LYS 28 -8.619 30.987 10.992 955 HA LYS 28 HA LYS 28 -9.526 29.095 12.901 956 HB2 LYS 28 HB2 LYS 28 -11.077 31.369 11.576 957 HB3 LYS 28 HB3 LYS 28 -11.575 30.491 13.030 958 HG2 LYS 28 HG2 LYS 28 -9.416 31.202 14.132 959 HG3 LYS 28 HG3 LYS 28 -9.096 32.249 12.750 960 HD2 LYS 28 HD2 LYS 28 -11.505 32.399 14.611 961 HD3 LYS 28 HD3 LYS 28 -10.111 33.466 14.673 962 HE2 LYS 28 HE2 LYS 28 -12.024 33.245 12.299 963 HE3 LYS 28 HE3 LYS 28 -12.162 34.437 13.589 964 HZ1 LYS 28 HZ1 LYS 28 -9.838 34.220 11.749 965 HZ2 LYS 28 HZ2 LYS 28 -9.976 35.303 12.969 966 HZ3 LYS 28 HZ3 LYS 28 -10.992 35.369 11.699 967 H LYS 29 H LYS 29 -10.440 29.431 9.465 968 HA LYS 29 HA LYS 29 -12.653 27.602 9.522 969 HB2 LYS 29 HB2 LYS 29 -12.385 27.572 7.108 970 HB3 LYS 29 HB3 LYS 29 -12.290 29.218 7.744 971 HG2 LYS 29 HG2 LYS 29 -9.611 28.449 7.677 972 HG3 LYS 29 HG3 LYS 29 -10.278 27.540 6.328 973 HD2 LYS 29 HD2 LYS 29 -10.491 30.547 6.802 974 HD3 LYS 29 HD3 LYS 29 -9.359 29.768 5.683 975 HE2 LYS 29 HE2 LYS 29 -11.263 28.865 4.360 976 HE3 LYS 29 HE3 LYS 29 -12.405 29.652 5.457 977 HZ1 LYS 29 HZ1 LYS 29 -11.470 31.803 4.785 978 HZ2 LYS 29 HZ2 LYS 29 -12.017 30.999 3.477 979 HZ3 LYS 29 HZ3 LYS 29 -10.414 31.076 3.768 980 H GLN 30 H GLN 30 -9.155 27.063 9.190 981 HA GLN 30 HA GLN 30 -9.330 24.373 8.258 982 HB2 GLN 30 HB2 GLN 30 -7.157 25.794 9.859 983 HB3 GLN 30 HB3 GLN 30 -7.021 24.156 9.239 984 HG2 GLN 30 HG2 GLN 30 -7.402 26.636 7.528 985 HG3 GLN 30 HG3 GLN 30 -5.873 25.796 7.812 986 HE21 GLN 30 HE21 GLN 30 -6.994 26.271 5.202 987 HE22 GLN 30 HE22 GLN 30 -7.374 24.684 4.546 988 H PHE 31 H PHE 31 -9.590 25.683 11.543 989 HA PHE 31 HA PHE 31 -9.282 23.203 12.962 990 HB2 PHE 31 HB2 PHE 31 -10.229 25.917 13.540 991 HB3 PHE 31 HB3 PHE 31 -11.239 24.716 14.308 992 HD1 PHE 31 HD1 PHE 31 -10.594 23.771 16.358 993 HD2 PHE 31 HD2 PHE 31 -7.613 25.530 13.778 994 HE1 PHE 31 HE1 PHE 31 -8.868 23.390 18.082 995 HE2 PHE 31 HE2 PHE 31 -5.890 25.105 15.484 996 HZ PHE 31 HZ PHE 31 -6.493 23.993 17.643 997 H ARG 32 H ARG 32 -12.306 24.719 11.751 998 HA ARG 32 HA ARG 32 -13.917 22.392 12.282 999 HB2 ARG 32 HB2 ARG 32 -14.925 24.598 12.120 1000 HB3 ARG 32 HB3 ARG 32 -14.301 24.817 10.488 1001 HG2 ARG 32 HG2 ARG 32 -16.687 24.307 10.427 1002 HG3 ARG 32 HG3 ARG 32 -15.766 23.050 9.631 1003 HD2 ARG 32 HD2 ARG 32 -15.905 21.759 11.901 1004 HD3 ARG 32 HD3 ARG 32 -17.168 22.899 12.338 1005 HE ARG 32 HE ARG 32 -17.238 20.675 10.436 1006 HH11 ARG 32 HH11 ARG 32 -19.023 23.589 11.287 1007 HH12 ARG 32 HH12 ARG 32 -20.366 23.137 10.273 1008 HH21 ARG 32 HH21 ARG 32 -18.768 20.347 9.020 1009 HH22 ARG 32 HH22 ARG 32 -20.269 21.266 9.050 1010 H GLU 33 H GLU 33 -12.503 23.560 9.213 1011 HA GLU 33 HA GLU 33 -13.538 21.361 7.701 1012 HB2 GLU 33 HB2 GLU 33 -11.107 23.086 7.108 1013 HB3 GLU 33 HB3 GLU 33 -11.932 22.020 5.973 1014 HG2 GLU 33 HG2 GLU 33 -12.922 24.627 7.089 1015 HG3 GLU 33 HG3 GLU 33 -12.660 24.170 5.412 1016 H PHE 34 H PHE 34 -10.369 21.596 9.421 1017 HA PHE 34 HA PHE 34 -9.518 19.012 8.466 1018 HB2 PHE 34 HB2 PHE 34 -8.036 20.886 9.318 1019 HB3 PHE 34 HB3 PHE 34 -8.475 20.371 10.949 1020 HD1 PHE 34 HD1 PHE 34 -7.824 17.963 11.676 1021 HD2 PHE 34 HD2 PHE 34 -6.484 19.743 7.979 1022 HE1 PHE 34 HE1 PHE 34 -6.114 16.215 11.444 1023 HE2 PHE 34 HE2 PHE 34 -4.712 18.017 7.792 1024 HZ PHE 34 HZ PHE 34 -4.508 16.253 9.532 1025 H LEU 35 H LEU 35 -11.351 20.109 11.367 1026 HA LEU 35 HA LEU 35 -11.564 17.588 12.674 1027 HB2 LEU 35 HB2 LEU 35 -12.930 20.144 12.746 1028 HB3 LEU 35 HB3 LEU 35 -14.153 18.909 12.669 1029 HG LEU 35 HG LEU 35 -13.740 19.451 14.956 1030 HD11 LEU 35 HD11 LEU 35 -12.322 16.808 14.625 1031 HD12 LEU 35 HD12 LEU 35 -14.039 16.996 14.219 1032 HD13 LEU 35 HD13 LEU 35 -13.491 17.344 15.854 1033 HD21 LEU 35 HD21 LEU 35 -11.609 19.271 16.020 1034 HD22 LEU 35 HD22 LEU 35 -11.506 20.401 14.676 1035 HD23 LEU 35 HD23 LEU 35 -10.829 18.773 14.493 1036 H ASP 36 H ASP 36 -13.716 18.993 10.157 1037 HA ASP 36 HA ASP 36 -15.258 16.658 9.722 1038 HB2 ASP 36 HB2 ASP 36 -14.653 18.995 7.894 1039 HB3 ASP 36 HB3 ASP 36 -15.736 17.676 7.460 1040 H TYR 37 H TYR 37 -12.184 17.640 8.143 1041 HA TYR 37 HA TYR 37 -11.979 15.565 6.252 1042 HB2 TYR 37 HB2 TYR 37 -10.504 17.481 6.250 1043 HB3 TYR 37 HB3 TYR 37 -9.913 17.075 7.845 1044 HD1 TYR 37 HD1 TYR 37 -10.253 14.642 5.017 1045 HD2 TYR 37 HD2 TYR 37 -7.621 16.992 7.484 1046 HE1 TYR 37 HE1 TYR 37 -8.304 13.500 4.035 1047 HE2 TYR 37 HE2 TYR 37 -5.650 15.796 6.530 1048 HH TYR 37 HH TYR 37 -4.968 13.992 5.208 1049 H GLN 38 H GLN 38 -10.679 15.527 9.665 1050 HA GLN 38 HA GLN 38 -9.830 12.752 9.342 1051 HB2 GLN 38 HB2 GLN 38 -10.233 14.428 11.846 1052 HB3 GLN 38 HB3 GLN 38 -9.539 12.803 11.819 1053 HG2 GLN 38 HG2 GLN 38 -8.388 15.285 10.503 1054 HG3 GLN 38 HG3 GLN 38 -7.737 14.434 11.907 1055 HE21 GLN 38 HE21 GLN 38 -6.524 15.036 9.186 1056 HE22 GLN 38 HE22 GLN 38 -5.997 13.455 8.629 1057 H LYS 39 H LYS 39 -12.736 14.264 10.769 1058 HA LYS 39 HA LYS 39 -14.115 11.929 11.634 1059 HB2 LYS 39 HB2 LYS 39 -14.943 14.618 10.519 1060 HB3 LYS 39 HB3 LYS 39 -16.153 13.398 10.829 1061 HG2 LYS 39 HG2 LYS 39 -15.797 13.377 13.126 1062 HG3 LYS 39 HG3 LYS 39 -14.269 14.260 13.095 1063 HD2 LYS 39 HD2 LYS 39 -15.383 16.301 12.468 1064 HD3 LYS 39 HD3 LYS 39 -16.876 15.451 12.032 1065 HE2 LYS 39 HE2 LYS 39 -17.222 14.861 14.433 1066 HE3 LYS 39 HE3 LYS 39 -15.782 15.790 14.856 1067 HZ1 LYS 39 HZ1 LYS 39 -18.245 16.872 13.572 1068 HZ2 LYS 39 HZ2 LYS 39 -16.904 17.760 13.833 1069 HZ3 LYS 39 HZ3 LYS 39 -17.767 17.197 15.097 1070 H TRP 40 H TRP 40 -13.904 13.319 8.359 1071 HA TRP 40 HA TRP 40 -15.662 11.881 6.844 1072 HB2 TRP 40 HB2 TRP 40 -13.797 13.705 6.271 1073 HB3 TRP 40 HB3 TRP 40 -12.857 12.325 5.789 1074 HD1 TRP 40 HD1 TRP 40 -13.729 11.005 3.592 1075 HE1 TRP 40 HE1 TRP 40 -15.245 11.730 1.645 1076 HE3 TRP 40 HE3 TRP 40 -15.493 15.427 5.516 1077 HZ2 TRP 40 HZ2 TRP 40 -16.984 13.932 1.007 1078 HZ3 TRP 40 HZ3 TRP 40 -17.063 16.824 4.205 1079 HH2 TRP 40 HH2 TRP 40 -17.835 16.085 1.968 1080 H ARG 41 H ARG 41 -12.669 10.632 8.141 1081 HA ARG 41 HA ARG 41 -12.896 8.114 6.531 1082 HB2 ARG 41 HB2 ARG 41 -11.086 9.874 5.984 1083 HB3 ARG 41 HB3 ARG 41 -10.367 9.477 7.539 1084 HG2 ARG 41 HG2 ARG 41 -9.258 8.318 5.715 1085 HG3 ARG 41 HG3 ARG 41 -10.036 7.125 6.764 1086 HD2 ARG 41 HD2 ARG 41 -11.696 6.608 5.158 1087 HD3 ARG 41 HD3 ARG 41 -11.553 8.181 4.373 1088 HE ARG 41 HE ARG 41 -9.692 7.538 3.168 1089 HH11 ARG 41 HH11 ARG 41 -10.752 4.767 5.064 1090 HH12 ARG 41 HH12 ARG 41 -9.699 3.679 4.200 1091 HH21 ARG 41 HH21 ARG 41 -8.308 6.177 2.253 1092 HH22 ARG 41 HH22 ARG 41 -8.364 4.453 2.592 1093 H LYS 42 H LYS 42 -11.972 9.462 9.691 1094 HA LYS 42 HA LYS 42 -11.594 6.875 11.002 1095 HB2 LYS 42 HB2 LYS 42 -12.009 9.736 11.972 1096 HB3 LYS 42 HB3 LYS 42 -12.216 8.392 13.065 1097 HG2 LYS 42 HG2 LYS 42 -10.101 8.947 13.468 1098 HG3 LYS 42 HG3 LYS 42 -9.915 7.559 12.417 1099 HD2 LYS 42 HD2 LYS 42 -9.622 10.455 11.487 1100 HD3 LYS 42 HD3 LYS 42 -8.312 9.517 12.187 1101 HE2 LYS 42 HE2 LYS 42 -8.789 7.774 10.307 1102 HE3 LYS 42 HE3 LYS 42 -9.680 9.085 9.521 1103 HZ1 LYS 42 HZ1 LYS 42 -7.389 9.116 8.790 1104 HZ2 LYS 42 HZ2 LYS 42 -6.826 9.155 10.323 1105 HZ3 LYS 42 HZ3 LYS 42 -7.622 10.448 9.731 1106 H SER 43 H SER 43 -14.371 9.032 10.605 1107 HA SER 43 HA SER 43 -16.153 6.909 11.773 1108 HB2 SER 43 HB2 SER 43 -15.702 8.755 13.306 1109 HB3 SER 43 HB3 SER 43 -16.283 9.913 12.107 1110 HG SER 43 HG SER 43 -17.792 7.824 13.350 1111 H GLN 44 H GLN 44 -15.832 9.223 9.127 1112 HA GLN 44 HA GLN 44 -16.818 9.343 7.146 1113 HB2 GLN 44 HB2 GLN 44 -16.496 6.672 7.645 1114 HB3 GLN 44 HB3 GLN 44 -18.193 6.715 7.205 1115 HG2 GLN 44 HG2 GLN 44 -15.750 7.470 5.575 1116 HG3 GLN 44 HG3 GLN 44 -16.908 6.205 5.262 1117 HE21 GLN 44 HE21 GLN 44 -16.164 9.592 4.752 1118 HE22 GLN 44 HE22 GLN 44 -17.512 9.860 3.625 1119 H LYS 45 H LYS 45 -18.315 10.401 9.374 1120 HA LYS 45 HA LYS 45 -21.154 10.162 8.737 1121 HB2 LYS 45 HB2 LYS 45 -21.526 11.760 10.490 1122 HB3 LYS 45 HB3 LYS 45 -20.445 10.481 11.004 1123 HG2 LYS 45 HG2 LYS 45 -18.810 12.664 10.017 1124 HG3 LYS 45 HG3 LYS 45 -20.048 13.355 11.064 1125 HD2 LYS 45 HD2 LYS 45 -18.162 11.091 11.789 1126 HD3 LYS 45 HD3 LYS 45 -17.964 12.775 12.284 1127 HE2 LYS 45 HE2 LYS 45 -19.917 12.721 13.677 1128 HE3 LYS 45 HE3 LYS 45 -20.440 11.170 13.010 1129 HZ1 LYS 45 HZ1 LYS 45 -17.955 11.527 14.603 1130 HZ2 LYS 45 HZ2 LYS 45 -18.504 10.123 13.987 1131 HZ3 LYS 45 HZ3 LYS 45 -19.358 10.879 15.169 1132 H GLU 46 H GLU 46 -20.093 10.658 6.438 1133 HA GLU 46 HA GLU 46 -19.883 13.398 5.566 1134 HB2 GLU 46 HB2 GLU 46 -18.777 11.499 4.544 1135 HB3 GLU 46 HB3 GLU 46 -20.327 10.753 4.125 1136 HG2 GLU 46 HG2 GLU 46 -20.810 12.589 2.562 1137 HG3 GLU 46 HG3 GLU 46 -19.297 13.391 3.011 1138 H GLU 47 H GLU 47 -22.636 11.295 6.031 1139 HA GLU 47 HA GLU 47 -24.517 13.438 5.305 1140 HB2 GLU 47 HB2 GLU 47 -25.883 12.080 3.863 1141 HB3 GLU 47 HB3 GLU 47 -24.260 12.204 3.231 1142 HG2 GLU 47 HG2 GLU 47 -24.733 10.006 2.812 1143 HG3 GLU 47 HG3 GLU 47 -23.800 9.881 4.288 1144 H1 GLY 1 H1 GLY 1 -3.151 51.590 26.283 1145 H2 GLY 1 H2 GLY 1 -3.303 51.940 24.690 1146 H3 GLY 1 H3 GLY 1 -2.370 50.680 25.168 1147 HA2 GLY 1 HA2 GLY 1 -5.296 50.852 25.489 1148 HA3 GLY 1 HA3 GLY 1 -4.458 49.883 24.262 1149 H SER 2 H SER 2 -6.292 49.039 26.438 1150 HA SER 2 HA SER 2 -4.763 47.598 28.444 1151 HB2 SER 2 HB2 SER 2 -6.947 46.596 28.997 1152 HB3 SER 2 HB3 SER 2 -7.011 48.363 28.914 1153 HG SER 2 HG SER 2 -8.783 47.389 27.836 1154 H HIS 3 H HIS 3 -4.797 45.263 28.712 1155 HA HIS 3 HA HIS 3 -3.905 43.809 26.401 1156 HB2 HIS 3 HB2 HIS 3 -3.086 43.384 28.672 1157 HB3 HIS 3 HB3 HIS 3 -4.695 42.881 29.186 1158 HD1 HIS 3 HD1 HIS 3 -5.525 40.420 28.270 1159 HD2 HIS 3 HD2 HIS 3 -1.599 41.617 27.325 1160 HE1 HIS 3 HE1 HIS 3 -4.315 38.328 27.462 1161 H MET 4 H MET 4 -4.921 42.430 25.053 1162 HA MET 4 HA MET 4 -7.857 41.987 25.377 1163 HB2 MET 4 HB2 MET 4 -7.005 43.991 23.936 1164 HB3 MET 4 HB3 MET 4 -6.537 42.768 22.767 1165 HG2 MET 4 HG2 MET 4 -8.709 43.726 22.231 1166 HG3 MET 4 HG3 MET 4 -8.873 42.017 22.585 1167 HE1 MET 4 HE1 MET 4 -10.249 45.429 25.450 1168 HE2 MET 4 HE2 MET 4 -8.542 44.964 25.334 1169 HE3 MET 4 HE3 MET 4 -9.365 45.686 23.930 1170 H GLU 5 H GLU 5 -4.988 40.337 24.955 1171 HA GLU 5 HA GLU 5 -5.983 38.246 23.127 1172 HB2 GLU 5 HB2 GLU 5 -3.539 38.129 24.908 1173 HB3 GLU 5 HB3 GLU 5 -3.883 37.158 23.492 1174 HG2 GLU 5 HG2 GLU 5 -3.133 40.098 23.571 1175 HG3 GLU 5 HG3 GLU 5 -2.198 38.764 22.908 1176 H TYR 6 H TYR 6 -5.716 35.908 23.938 1177 HA TYR 6 HA TYR 6 -7.579 35.424 26.091 1178 HB2 TYR 6 HB2 TYR 6 -5.781 33.601 24.462 1179 HB3 TYR 6 HB3 TYR 6 -6.875 33.026 25.702 1180 HD1 TYR 6 HD1 TYR 6 -7.370 31.609 23.563 1181 HD2 TYR 6 HD2 TYR 6 -8.598 35.722 24.061 1182 HE1 TYR 6 HE1 TYR 6 -9.293 31.220 22.085 1183 HE2 TYR 6 HE2 TYR 6 -10.500 35.330 22.529 1184 HH TYR 6 HH TYR 6 -11.593 33.813 21.194 1185 H ASP 7 H ASP 7 -7.304 34.473 28.019 1186 HA ASP 7 HA ASP 7 -4.607 34.302 29.274 1187 HB2 ASP 7 HB2 ASP 7 -5.425 35.617 31.133 1188 HB3 ASP 7 HB3 ASP 7 -5.619 36.517 29.633 1189 H GLY 8 H GLY 8 -6.717 32.298 28.362 1190 HA2 GLY 8 HA2 GLY 8 -6.880 30.079 29.647 1191 HA3 GLY 8 HA3 GLY 8 -7.605 31.050 30.935 1192 H GLN 9 H GLN 9 -8.965 32.796 28.853 1193 HA GLN 9 HA GLN 9 -11.432 31.494 28.335 1194 HB2 GLN 9 HB2 GLN 9 -11.295 33.903 28.246 1195 HB3 GLN 9 HB3 GLN 9 -9.960 33.848 27.107 1196 HG2 GLN 9 HG2 GLN 9 -11.881 34.609 25.931 1197 HG3 GLN 9 HG3 GLN 9 -11.448 33.017 25.311 1198 HE21 GLN 9 HE21 GLN 9 -14.703 32.415 27.607 1199 HE22 GLN 9 HE22 GLN 9 -13.210 32.915 28.386 1200 H LEU 10 H LEU 10 -12.277 30.455 26.591 1201 HA LEU 10 HA LEU 10 -10.913 30.542 24.039 1202 HB2 LEU 10 HB2 LEU 10 -10.080 28.437 25.161 1203 HB3 LEU 10 HB3 LEU 10 -11.749 27.887 25.233 1204 HG LEU 10 HG LEU 10 -10.239 26.854 23.599 1205 HD11 LEU 10 HD11 LEU 10 -11.701 26.487 21.952 1206 HD12 LEU 10 HD12 LEU 10 -12.293 28.167 21.895 1207 HD13 LEU 10 HD13 LEU 10 -12.776 27.096 23.222 1208 HD21 LEU 10 HD21 LEU 10 -9.142 28.033 21.932 1209 HD22 LEU 10 HD22 LEU 10 -9.193 29.237 23.171 1210 HD23 LEU 10 HD23 LEU 10 -10.381 29.305 21.860 1211 H ASP 11 H ASP 11 -12.356 30.842 22.440 1212 HA ASP 11 HA ASP 11 -15.044 31.393 23.014 1213 HB2 ASP 11 HB2 ASP 11 -13.378 31.922 20.937 1214 HB3 ASP 11 HB3 ASP 11 -14.264 30.573 20.256 1215 H SER 12 H SER 12 -16.970 30.286 22.791 1216 HA SER 12 HA SER 12 -17.039 27.489 23.141 1217 HB2 SER 12 HB2 SER 12 -19.394 27.662 22.910 1218 HB3 SER 12 HB3 SER 12 -18.772 29.081 23.784 1219 HG SER 12 HG SER 12 -19.146 30.351 22.011 1220 H GLU 13 H GLU 13 -17.072 29.308 20.173 1221 HA GLU 13 HA GLU 13 -17.879 27.278 18.349 1222 HB2 GLU 13 HB2 GLU 13 -16.203 29.802 18.129 1223 HB3 GLU 13 HB3 GLU 13 -16.585 28.831 16.720 1224 HG2 GLU 13 HG2 GLU 13 -18.698 30.053 18.557 1225 HG3 GLU 13 HG3 GLU 13 -18.042 30.867 17.143 1226 H TRP 14 H TRP 14 -14.730 27.827 19.814 1227 HA TRP 14 HA TRP 14 -13.533 25.799 17.994 1228 HB2 TRP 14 HB2 TRP 14 -11.795 27.232 19.901 1229 HB3 TRP 14 HB3 TRP 14 -11.500 26.663 18.268 1230 HD1 TRP 14 HD1 TRP 14 -11.788 29.752 20.037 1231 HE1 TRP 14 HE1 TRP 14 -12.634 31.718 18.611 1232 HE3 TRP 14 HE3 TRP 14 -13.222 27.181 15.849 1233 HZ2 TRP 14 HZ2 TRP 14 -13.804 32.125 16.006 1234 HZ3 TRP 14 HZ3 TRP 14 -14.147 28.386 13.883 1235 HH2 TRP 14 HH2 TRP 14 -14.458 30.852 13.953 1236 H GLU 15 H GLU 15 -14.285 26.380 21.369 1237 HA GLU 15 HA GLU 15 -13.252 24.071 22.649 1238 HB2 GLU 15 HB2 GLU 15 -14.238 25.713 24.016 1239 HB3 GLU 15 HB3 GLU 15 -15.666 25.850 22.981 1240 HG2 GLU 15 HG2 GLU 15 -16.598 23.840 23.801 1241 HG3 GLU 15 HG3 GLU 15 -15.093 23.382 24.627 1242 H LYS 16 H LYS 16 -16.312 24.551 20.905 1243 HA LYS 16 HA LYS 16 -17.253 21.846 21.256 1244 HB2 LYS 16 HB2 LYS 16 -18.970 22.334 19.662 1245 HB3 LYS 16 HB3 LYS 16 -18.741 23.681 20.763 1246 HG2 LYS 16 HG2 LYS 16 -18.889 24.904 18.903 1247 HG3 LYS 16 HG3 LYS 16 -17.163 24.567 18.804 1248 HD2 LYS 16 HD2 LYS 16 -17.655 22.640 17.270 1249 HD3 LYS 16 HD3 LYS 16 -19.375 22.961 17.402 1250 HE2 LYS 16 HE2 LYS 16 -17.358 24.940 16.241 1251 HE3 LYS 16 HE3 LYS 16 -18.233 23.738 15.294 1252 HZ1 LYS 16 HZ1 LYS 16 -19.496 25.676 15.121 1253 HZ2 LYS 16 HZ2 LYS 16 -19.383 26.101 16.661 1254 HZ3 LYS 16 HZ3 LYS 16 -20.330 24.819 16.230 1255 H LEU 17 H LEU 17 -15.154 23.210 18.799 1256 HA LEU 17 HA LEU 17 -15.134 20.919 17.023 1257 HB2 LEU 17 HB2 LEU 17 -13.103 23.144 17.433 1258 HB3 LEU 17 HB3 LEU 17 -13.070 22.018 16.100 1259 HG LEU 17 HG LEU 17 -15.425 23.858 16.640 1260 HD11 LEU 17 HD11 LEU 17 -13.315 24.245 14.526 1261 HD12 LEU 17 HD12 LEU 17 -13.151 24.975 16.140 1262 HD13 LEU 17 HD13 LEU 17 -14.538 25.391 15.115 1263 HD21 LEU 17 HD21 LEU 17 -16.059 21.973 15.247 1264 HD22 LEU 17 HD22 LEU 17 -14.582 22.149 14.278 1265 HD23 LEU 17 HD23 LEU 17 -15.858 23.393 14.204 1266 H VAL 18 H VAL 18 -12.817 22.008 19.607 1267 HA VAL 18 HA VAL 18 -11.161 19.660 19.257 1268 HB VAL 18 HB VAL 18 -10.289 21.644 20.312 1269 HG11 VAL 18 HG11 VAL 18 -12.278 21.093 22.534 1270 HG12 VAL 18 HG12 VAL 18 -10.784 22.032 22.767 1271 HG13 VAL 18 HG13 VAL 18 -12.023 22.547 21.589 1272 HG21 VAL 18 HG21 VAL 18 -9.225 19.475 20.765 1273 HG22 VAL 18 HG22 VAL 18 -9.078 20.609 22.120 1274 HG23 VAL 18 HG23 VAL 18 -10.214 19.243 22.207 1275 H ARG 19 H ARG 19 -13.906 20.249 21.502 1276 HA ARG 19 HA ARG 19 -13.678 17.680 22.829 1277 HB2 ARG 19 HB2 ARG 19 -16.027 19.569 22.341 1278 HB3 ARG 19 HB3 ARG 19 -16.097 18.132 23.406 1279 HG2 ARG 19 HG2 ARG 19 -14.247 19.140 24.743 1280 HG3 ARG 19 HG3 ARG 19 -14.327 20.597 23.800 1281 HD2 ARG 19 HD2 ARG 19 -16.505 19.382 25.533 1282 HD3 ARG 19 HD3 ARG 19 -15.456 20.756 25.931 1283 HE ARG 19 HE ARG 19 -16.671 21.545 23.587 1284 HH11 ARG 19 HH11 ARG 19 -19.825 22.532 24.608 1285 HH12 ARG 19 HH12 ARG 19 -18.633 22.637 23.353 1286 HH21 ARG 19 HH21 ARG 19 -17.995 20.496 26.656 1287 HH22 ARG 19 HH22 ARG 19 -19.490 21.357 26.421 1288 H ASP 20 H ASP 20 -15.479 18.724 19.949 1289 HA ASP 20 HA ASP 20 -16.668 16.237 19.217 1290 HB2 ASP 20 HB2 ASP 20 -15.826 18.759 17.833 1291 HB3 ASP 20 HB3 ASP 20 -15.995 17.355 16.814 1292 H ALA 21 H ALA 21 -13.336 17.471 18.499 1293 HA ALA 21 HA ALA 21 -12.625 15.212 16.885 1294 HB1 ALA 21 HB1 ALA 21 -10.875 17.074 18.550 1295 HB2 ALA 21 HB2 ALA 21 -10.300 15.961 17.303 1296 HB3 ALA 21 HB3 ALA 21 -11.374 17.296 16.857 1297 H MET 22 H MET 22 -12.208 15.854 20.395 1298 HA MET 22 HA MET 22 -10.918 13.417 20.999 1299 HB2 MET 22 HB2 MET 22 -12.774 14.971 22.816 1300 HB3 MET 22 HB3 MET 22 -11.629 13.712 23.271 1301 HG2 MET 22 HG2 MET 22 -11.171 16.547 22.978 1302 HG3 MET 22 HG3 MET 22 -10.267 15.366 23.782 1303 HE1 MET 22 HE1 MET 22 -8.788 13.449 21.331 1304 HE2 MET 22 HE2 MET 22 -7.366 14.484 21.611 1305 HE3 MET 22 HE3 MET 22 -8.431 14.059 22.964 1306 H THR 23 H THR 23 -14.466 14.126 20.889 1307 HA THR 23 HA THR 23 -15.150 11.394 21.640 1308 HB THR 23 HB THR 23 -17.471 12.033 21.218 1309 HG1 THR 23 HG1 THR 23 -17.350 13.478 19.573 1310 HG21 THR 23 HG21 THR 23 -16.470 12.511 23.402 1311 HG22 THR 23 HG22 THR 23 -17.673 13.736 22.958 1312 HG23 THR 23 HG23 THR 23 -15.941 14.106 22.836 1313 H SER 24 H SER 24 -14.872 13.042 18.475 1314 HA SER 24 HA SER 24 -16.095 10.780 17.118 1315 HB2 SER 24 HB2 SER 24 -16.320 13.197 16.434 1316 HB3 SER 24 HB3 SER 24 -14.689 13.098 15.750 1317 HG SER 24 HG SER 24 -15.420 11.267 14.557 1318 H GLY 25 H GLY 25 -13.241 10.757 18.579 1319 HA2 GLY 25 HA2 GLY 25 -11.460 9.313 18.460 1320 HA3 GLY 25 HA3 GLY 25 -12.229 8.522 17.079 1321 H VAL 26 H VAL 26 -11.550 11.932 16.863 1322 HA VAL 26 HA VAL 26 -9.990 11.643 14.451 1323 HB VAL 26 HB VAL 26 -10.712 13.968 16.234 1324 HG11 VAL 26 HG11 VAL 26 -10.069 15.444 14.279 1325 HG12 VAL 26 HG12 VAL 26 -8.773 14.857 15.341 1326 HG13 VAL 26 HG13 VAL 26 -9.030 14.095 13.769 1327 HG21 VAL 26 HG21 VAL 26 -11.607 13.134 13.438 1328 HG22 VAL 26 HG22 VAL 26 -12.545 12.921 14.924 1329 HG23 VAL 26 HG23 VAL 26 -12.202 14.545 14.331 1330 H SER 27 H SER 27 -7.838 12.025 14.050 1331 HA SER 27 HA SER 27 -5.991 10.926 15.784 1332 HB2 SER 27 HB2 SER 27 -5.444 12.873 13.531 1333 HB3 SER 27 HB3 SER 27 -4.265 11.766 14.266 1334 HG SER 27 HG SER 27 -5.171 10.856 12.376 1335 H LYS 28 H LYS 28 -5.582 11.684 17.793 1336 HA LYS 28 HA LYS 28 -5.699 14.389 18.565 1337 HB2 LYS 28 HB2 LYS 28 -4.866 13.681 20.715 1338 HB3 LYS 28 HB3 LYS 28 -6.017 12.506 20.090 1339 HG2 LYS 28 HG2 LYS 28 -4.071 11.046 19.384 1340 HG3 LYS 28 HG3 LYS 28 -2.974 12.235 20.092 1341 HD2 LYS 28 HD2 LYS 28 -3.227 10.449 21.652 1342 HD3 LYS 28 HD3 LYS 28 -4.046 11.867 22.322 1343 HE2 LYS 28 HE2 LYS 28 -6.239 10.955 21.595 1344 HE3 LYS 28 HE3 LYS 28 -5.426 9.578 20.841 1345 HZ1 LYS 28 HZ1 LYS 28 -4.635 8.925 23.054 1346 HZ2 LYS 28 HZ2 LYS 28 -6.265 8.986 23.025 1347 HZ3 LYS 28 HZ3 LYS 28 -5.417 10.184 23.750 1348 H LYS 29 H LYS 29 -2.902 12.619 17.292 1349 HA LYS 29 HA LYS 29 -0.929 14.622 17.913 1350 HB2 LYS 29 HB2 LYS 29 0.432 13.473 16.267 1351 HB3 LYS 29 HB3 LYS 29 -0.351 12.332 17.368 1352 HG2 LYS 29 HG2 LYS 29 -2.155 12.452 15.240 1353 HG3 LYS 29 HG3 LYS 29 -0.618 12.711 14.429 1354 HD2 LYS 29 HD2 LYS 29 -1.351 10.402 16.284 1355 HD3 LYS 29 HD3 LYS 29 -1.320 10.319 14.514 1356 HE2 LYS 29 HE2 LYS 29 1.117 10.813 14.517 1357 HE3 LYS 29 HE3 LYS 29 1.107 10.887 16.283 1358 HZ1 LYS 29 HZ1 LYS 29 0.432 8.475 14.681 1359 HZ2 LYS 29 HZ2 LYS 29 0.419 8.546 16.314 1360 HZ3 LYS 29 HZ3 LYS 29 1.823 8.705 15.501 1361 H GLN 30 H GLN 30 -3.232 14.300 15.222 1362 HA GLN 30 HA GLN 30 -1.971 16.252 13.544 1363 HB2 GLN 30 HB2 GLN 30 -4.869 15.307 13.693 1364 HB3 GLN 30 HB3 GLN 30 -4.264 16.456 12.515 1365 HG2 GLN 30 HG2 GLN 30 -3.294 13.594 12.825 1366 HG3 GLN 30 HG3 GLN 30 -4.423 14.184 11.597 1367 HE21 GLN 30 HE21 GLN 30 -1.867 12.841 11.083 1368 HE22 GLN 30 HE22 GLN 30 -0.889 14.033 10.237 1369 H PHE 31 H PHE 31 -4.182 16.613 16.292 1370 HA PHE 31 HA PHE 31 -4.869 19.368 15.863 1371 HB2 PHE 31 HB2 PHE 31 -5.016 17.430 18.062 1372 HB3 PHE 31 HB3 PHE 31 -4.559 19.020 18.633 1373 HD1 PHE 31 HD1 PHE 31 -6.213 20.620 19.063 1374 HD2 PHE 31 HD2 PHE 31 -7.035 17.400 16.306 1375 HE1 PHE 31 HE1 PHE 31 -8.547 21.398 18.837 1376 HE2 PHE 31 HE2 PHE 31 -9.340 18.216 16.042 1377 HZ PHE 31 HZ PHE 31 -10.111 20.248 17.271 1378 H ARG 32 H ARG 32 -2.110 18.036 17.739 1379 HA ARG 32 HA ARG 32 -0.849 20.604 18.064 1380 HB2 ARG 32 HB2 ARG 32 -0.413 18.790 19.621 1381 HB3 ARG 32 HB3 ARG 32 0.144 17.745 18.318 1382 HG2 ARG 32 HG2 ARG 32 2.046 18.570 19.598 1383 HG3 ARG 32 HG3 ARG 32 2.107 19.143 17.952 1384 HD2 ARG 32 HD2 ARG 32 0.943 21.328 18.980 1385 HD3 ARG 32 HD3 ARG 32 1.605 20.737 20.490 1386 HE ARG 32 HE ARG 32 3.207 21.189 17.966 1387 HH11 ARG 32 HH11 ARG 32 5.040 21.941 17.957 1388 HH12 ARG 32 HH12 ARG 32 5.904 22.456 19.423 1389 HH21 ARG 32 HH21 ARG 32 3.182 21.881 21.449 1390 HH22 ARG 32 HH22 ARG 32 4.767 22.631 21.268 1391 H GLU 33 H GLU 33 -0.110 17.958 15.793 1392 HA GLU 33 HA GLU 33 2.033 19.401 14.554 1393 HB2 GLU 33 HB2 GLU 33 0.336 17.158 13.403 1394 HB3 GLU 33 HB3 GLU 33 1.874 17.733 12.758 1395 HG2 GLU 33 HG2 GLU 33 1.437 16.256 15.360 1396 HG3 GLU 33 HG3 GLU 33 2.299 15.708 13.932 1397 H PHE 34 H PHE 34 -1.474 19.364 13.667 1398 HA PHE 34 HA PHE 34 -1.016 21.012 11.341 1399 HB2 PHE 34 HB2 PHE 34 -2.985 19.462 11.725 1400 HB3 PHE 34 HB3 PHE 34 -3.658 20.721 12.766 1401 HD1 PHE 34 HD1 PHE 34 -3.057 19.566 9.379 1402 HD2 PHE 34 HD2 PHE 34 -4.148 23.037 11.701 1403 HE1 PHE 34 HE1 PHE 34 -3.914 20.670 7.326 1404 HE2 PHE 34 HE2 PHE 34 -4.914 24.156 9.643 1405 HZ PHE 34 HZ PHE 34 -4.844 22.973 7.451 1406 H LEU 35 H LEU 35 -1.764 21.702 14.795 1407 HA LEU 35 HA LEU 35 -2.017 24.530 14.587 1408 HB2 LEU 35 HB2 LEU 35 -1.486 22.585 16.670 1409 HB3 LEU 35 HB3 LEU 35 -0.293 23.844 16.835 1410 HG LEU 35 HG LEU 35 -2.167 24.343 18.248 1411 HD11 LEU 35 HD11 LEU 35 -2.553 26.224 15.930 1412 HD12 LEU 35 HD12 LEU 35 -1.032 26.196 16.847 1413 HD13 LEU 35 HD13 LEU 35 -2.544 26.540 17.679 1414 HD21 LEU 35 HD21 LEU 35 -3.919 24.169 15.794 1415 HD22 LEU 35 HD22 LEU 35 -4.406 24.601 17.456 1416 HD23 LEU 35 HD23 LEU 35 -3.825 22.979 17.103 1417 H ASP 36 H ASP 36 0.954 22.560 14.973 1418 HA ASP 36 HA ASP 36 2.794 24.688 14.612 1419 HB2 ASP 36 HB2 ASP 36 3.128 21.730 14.027 1420 HB3 ASP 36 HB3 ASP 36 4.433 22.914 14.021 1421 H TYR 37 H TYR 37 1.327 22.547 12.127 1422 HA TYR 37 HA TYR 37 2.703 23.495 9.872 1423 HB2 TYR 37 HB2 TYR 37 1.271 21.528 9.852 1424 HB3 TYR 37 HB3 TYR 37 -0.130 22.514 10.229 1425 HD1 TYR 37 HD1 TYR 37 2.527 22.999 7.625 1426 HD2 TYR 37 HD2 TYR 37 -1.634 22.369 8.505 1427 HE1 TYR 37 HE1 TYR 37 1.998 23.114 5.215 1428 HE2 TYR 37 HE2 TYR 37 -2.182 22.518 6.071 1429 HH TYR 37 HH TYR 37 -1.350 22.893 3.947 1430 H GLN 38 H GLN 38 -0.378 24.829 11.255 1431 HA GLN 38 HA GLN 38 -0.456 26.969 9.264 1432 HB2 GLN 38 HB2 GLN 38 -1.912 26.566 11.908 1433 HB3 GLN 38 HB3 GLN 38 -2.166 27.963 10.861 1434 HG2 GLN 38 HG2 GLN 38 -2.565 25.054 10.022 1435 HG3 GLN 38 HG3 GLN 38 -3.860 26.167 10.467 1436 HE21 GLN 38 HE21 GLN 38 -2.428 24.848 7.774 1437 HE22 GLN 38 HE22 GLN 38 -2.771 26.165 6.662 1438 H LYS 39 H LYS 39 0.640 26.826 12.683 1439 HA LYS 39 HA LYS 39 1.560 29.500 12.973 1440 HB2 LYS 39 HB2 LYS 39 2.450 26.818 14.062 1441 HB3 LYS 39 HB3 LYS 39 3.319 28.278 14.474 1442 HG2 LYS 39 HG2 LYS 39 1.527 29.225 15.633 1443 HG3 LYS 39 HG3 LYS 39 0.305 28.107 15.048 1444 HD2 LYS 39 HD2 LYS 39 1.226 26.284 16.295 1445 HD3 LYS 39 HD3 LYS 39 2.757 27.126 16.577 1446 HE2 LYS 39 HE2 LYS 39 1.574 28.743 18.059 1447 HE3 LYS 39 HE3 LYS 39 0.081 27.816 17.847 1448 HZ1 LYS 39 HZ1 LYS 39 2.636 26.789 19.005 1449 HZ2 LYS 39 HZ2 LYS 39 1.325 25.863 18.751 1450 HZ3 LYS 39 HZ3 LYS 39 1.260 27.060 19.861 1451 H TRP 40 H TRP 40 3.160 26.752 11.395 1452 HA TRP 40 HA TRP 40 5.721 27.533 10.888 1453 HB2 TRP 40 HB2 TRP 40 4.189 25.414 10.137 1454 HB3 TRP 40 HB3 TRP 40 4.226 26.239 8.614 1455 HD1 TRP 40 HD1 TRP 40 6.611 26.349 7.373 1456 HE1 TRP 40 HE1 TRP 40 8.765 24.953 7.630 1457 HE3 TRP 40 HE3 TRP 40 5.453 23.769 11.664 1458 HZ2 TRP 40 HZ2 TRP 40 9.848 23.016 9.451 1459 HZ3 TRP 40 HZ3 TRP 40 7.050 22.132 12.607 1460 HH2 TRP 40 HH2 TRP 40 9.253 21.753 11.523 1461 H ARG 41 H ARG 41 2.915 28.830 9.249 1462 HA ARG 41 HA ARG 41 4.636 30.426 7.395 1463 HB2 ARG 41 HB2 ARG 41 3.361 28.520 6.327 1464 HB3 ARG 41 HB3 ARG 41 1.863 29.260 6.876 1465 HG2 ARG 41 HG2 ARG 41 2.243 29.783 4.529 1466 HG3 ARG 41 HG3 ARG 41 2.317 31.261 5.479 1467 HD2 ARG 41 HD2 ARG 41 4.075 31.272 3.802 1468 HD3 ARG 41 HD3 ARG 41 4.802 31.187 5.405 1469 HE ARG 41 HE ARG 41 4.384 28.802 3.604 1470 HH11 ARG 41 HH11 ARG 41 6.708 30.589 5.538 1471 HH12 ARG 41 HH12 ARG 41 7.825 29.252 5.553 1472 HH21 ARG 41 HH21 ARG 41 5.700 27.149 3.819 1473 HH22 ARG 41 HH22 ARG 41 7.312 27.353 4.497 1474 H LYS 42 H LYS 42 1.614 30.384 9.284 1475 HA LYS 42 HA LYS 42 0.878 33.157 8.841 1476 HB2 LYS 42 HB2 LYS 42 0.227 31.080 10.971 1477 HB3 LYS 42 HB3 LYS 42 -0.292 32.735 11.138 1478 HG2 LYS 42 HG2 LYS 42 -2.022 31.341 10.272 1479 HG3 LYS 42 HG3 LYS 42 -1.648 32.692 9.219 1480 HD2 LYS 42 HD2 LYS 42 -0.652 29.873 8.657 1481 HD3 LYS 42 HD3 LYS 42 -2.263 30.370 8.218 1482 HE2 LYS 42 HE2 LYS 42 0.248 31.766 7.207 1483 HE3 LYS 42 HE3 LYS 42 -0.584 30.462 6.357 1484 HZ1 LYS 42 HZ1 LYS 42 -2.579 31.860 6.282 1485 HZ2 LYS 42 HZ2 LYS 42 -1.331 32.617 5.555 1486 HZ3 LYS 42 HZ3 LYS 42 -1.810 33.086 7.042 1487 H SER 43 H SER 43 2.947 31.601 11.248 1488 HA SER 43 HA SER 43 3.977 34.327 12.012 1489 HB2 SER 43 HB2 SER 43 2.490 33.360 13.723 1490 HB3 SER 43 HB3 SER 43 3.542 31.939 13.819 1491 HG SER 43 HG SER 43 4.152 34.642 14.505 1492 H GLN 44 H GLN 44 4.897 31.009 11.229 1493 HA GLN 44 HA GLN 44 6.824 30.052 10.717 1494 HB2 GLN 44 HB2 GLN 44 7.040 32.511 9.580 1495 HB3 GLN 44 HB3 GLN 44 8.508 32.493 10.551 1496 HG2 GLN 44 HG2 GLN 44 7.668 30.681 8.268 1497 HG3 GLN 44 HG3 GLN 44 9.034 31.768 8.336 1498 HE21 GLN 44 HE21 GLN 44 7.882 28.549 9.117 1499 HE22 GLN 44 HE22 GLN 44 9.449 27.936 9.697 1500 H LYS 45 H LYS 45 6.172 30.853 13.573 1501 HA LYS 45 HA LYS 45 8.680 30.852 15.020 1502 HB2 LYS 45 HB2 LYS 45 7.267 30.677 16.973 1503 HB3 LYS 45 HB3 LYS 45 6.553 31.814 15.828 1504 HG2 LYS 45 HG2 LYS 45 5.185 29.679 15.005 1505 HG3 LYS 45 HG3 LYS 45 5.625 29.020 16.576 1506 HD2 LYS 45 HD2 LYS 45 4.153 31.599 16.006 1507 HD3 LYS 45 HD3 LYS 45 3.419 30.090 16.546 1508 HE2 LYS 45 HE2 LYS 45 4.473 30.237 18.705 1509 HE3 LYS 45 HE3 LYS 45 5.463 31.617 18.204 1510 HZ1 LYS 45 HZ1 LYS 45 2.499 31.714 18.185 1511 HZ2 LYS 45 HZ2 LYS 45 3.522 32.967 18.040 1512 HZ3 LYS 45 HZ3 LYS 45 3.391 32.209 19.485 1513 H GLU 46 H GLU 46 6.656 28.299 13.804 1514 HA GLU 46 HA GLU 46 6.692 26.054 13.811 1515 HB2 GLU 46 HB2 GLU 46 9.659 26.307 14.339 1516 HB3 GLU 46 HB3 GLU 46 8.814 24.911 13.657 1517 HG2 GLU 46 HG2 GLU 46 8.101 26.268 11.714 1518 HG3 GLU 46 HG3 GLU 46 8.942 27.670 12.365 1519 H GLU 47 H GLU 47 6.835 27.515 16.680 1520 HA GLU 47 HA GLU 47 6.069 25.090 18.145 1521 HB2 GLU 47 HB2 GLU 47 8.485 25.208 18.600 1522 HB3 GLU 47 HB3 GLU 47 8.338 26.894 19.073 1523 HG2 GLU 47 HG2 GLU 47 8.544 25.537 21.049 1524 HG3 GLU 47 HG3 GLU 47 6.947 26.262 21.025
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