NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
490058 | 2l3a | 17175 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 15.940 20.746 -28.433 2 H2 MET 1 2H MET 1 17.215 21.373 -27.509 3 H3 MET 1 3H MET 1 15.927 22.373 -27.964 4 HA MET 1 HA MET 1 15.801 21.704 -25.640 5 HB2 MET 1 2HB MET 1 13.661 20.766 -27.546 6 HB3 MET 1 3HB MET 1 13.453 20.680 -25.803 7 HG2 MET 1 2HG MET 1 12.392 22.658 -26.636 8 HG3 MET 1 3HG MET 1 13.788 23.111 -25.665 9 HE1 MET 1 3HE MET 1 12.191 25.021 -27.720 10 HE2 MET 1 1HE MET 1 13.538 25.887 -28.460 11 HE3 MET 1 2HE MET 1 13.536 25.580 -26.723 12 H LYS 2 H LYS 2 15.028 19.947 -24.214 13 HA LYS 2 HA LYS 2 16.464 17.484 -24.829 14 HB2 LYS 2 2HB LYS 2 15.081 18.343 -22.276 15 HB3 LYS 2 3HB LYS 2 16.176 16.979 -22.460 16 HG2 LYS 2 2HG LYS 2 18.039 18.395 -22.784 17 HG3 LYS 2 3HG LYS 2 17.010 19.815 -22.985 18 HD2 LYS 2 2HD LYS 2 16.281 19.582 -20.641 19 HD3 LYS 2 3HD LYS 2 17.380 18.215 -20.453 20 HE2 LYS 2 2HE LYS 2 18.308 20.341 -19.592 21 HE3 LYS 2 3HE LYS 2 19.284 19.617 -20.868 22 HZ1 LYS 2 3HZ LYS 2 17.281 21.730 -21.426 23 HZ2 LYS 2 1HZ LYS 2 18.550 21.199 -22.418 24 HZ3 LYS 2 2HZ LYS 2 18.884 22.090 -21.013 25 H LYS 3 H LYS 3 15.449 15.478 -24.960 26 HA LYS 3 HA LYS 3 12.679 15.641 -25.721 27 HB2 LYS 3 2HB LYS 3 12.898 13.265 -26.330 28 HB3 LYS 3 3HB LYS 3 14.143 14.262 -27.061 29 HG2 LYS 3 2HG LYS 3 15.659 13.497 -25.173 30 HG3 LYS 3 3HG LYS 3 14.413 12.298 -24.808 31 HD2 LYS 3 2HD LYS 3 14.581 11.699 -27.315 32 HD3 LYS 3 3HD LYS 3 16.108 12.575 -27.272 33 HE2 LYS 3 2HE LYS 3 15.346 10.129 -25.687 34 HE3 LYS 3 3HE LYS 3 16.566 10.252 -26.950 35 HZ1 LYS 3 3HZ LYS 3 17.669 10.246 -24.874 36 HZ2 LYS 3 1HZ LYS 3 16.654 11.445 -24.241 37 HZ3 LYS 3 2HZ LYS 3 17.766 11.834 -25.463 38 H MET 4 H MET 4 11.464 16.072 -23.985 39 HA MET 4 HA MET 4 11.816 14.641 -21.504 40 HB2 MET 4 2HB MET 4 11.218 17.033 -21.525 41 HB3 MET 4 3HB MET 4 9.701 16.644 -22.318 42 HG2 MET 4 2HG MET 4 9.408 17.052 -19.930 43 HG3 MET 4 3HG MET 4 8.965 15.405 -20.375 44 HE1 MET 4 3HE MET 4 10.390 15.053 -16.728 45 HE2 MET 4 1HE MET 4 8.995 14.794 -17.775 46 HE3 MET 4 2HE MET 4 9.500 16.435 -17.371 47 H ALA 5 H ALA 5 11.466 12.620 -22.799 48 HA ALA 5 HA ALA 5 8.685 11.785 -22.328 49 HB1 ALA 5 3HB ALA 5 9.009 11.983 -24.750 50 HB2 ALA 5 1HB ALA 5 8.796 10.299 -24.271 51 HB3 ALA 5 2HB ALA 5 10.406 10.911 -24.653 52 H GLU 6 H GLU 6 11.506 11.716 -21.104 53 HA GLU 6 HA GLU 6 11.550 8.847 -20.503 54 HB2 GLU 6 2HB GLU 6 14.070 9.174 -20.233 55 HB3 GLU 6 3HB GLU 6 13.439 9.143 -21.874 56 HG2 GLU 6 2HG GLU 6 13.410 11.663 -21.781 57 HG3 GLU 6 3HG GLU 6 14.325 11.527 -20.279 58 H PHE 7 H PHE 7 10.460 9.036 -18.602 59 HA PHE 7 HA PHE 7 11.310 10.911 -16.580 60 HB2 PHE 7 2HB PHE 7 9.361 8.599 -16.397 61 HB3 PHE 7 3HB PHE 7 9.585 9.856 -15.184 62 HD1 PHE 7 HD2 PHE 7 8.902 12.186 -15.687 63 HD2 PHE 7 HD1 PHE 7 8.022 8.957 -18.314 64 HE1 PHE 7 HE2 PHE 7 7.206 13.570 -16.815 65 HE2 PHE 7 HE1 PHE 7 6.329 10.335 -19.448 66 HZ PHE 7 HZ PHE 7 5.919 12.642 -18.699 67 H THR 8 H THR 8 13.273 10.510 -15.752 68 HA THR 8 HA THR 8 14.347 7.884 -15.551 69 HB THR 8 HB THR 8 16.143 9.098 -14.173 70 HG1 THR 8 HG1 THR 8 16.050 11.307 -14.128 71 HG21 THR 8 3HG2 THR 8 16.444 8.556 -16.524 72 HG22 THR 8 1HG2 THR 8 17.100 10.157 -16.188 73 HG23 THR 8 2HG2 THR 8 15.541 9.995 -16.995 74 H PHE 9 H PHE 9 13.891 6.446 -14.072 75 HA PHE 9 HA PHE 9 12.822 7.350 -11.500 76 HB2 PHE 9 2HB PHE 9 11.937 4.992 -11.326 77 HB3 PHE 9 3HB PHE 9 11.224 5.972 -12.598 78 HD1 PHE 9 HD2 PHE 9 11.730 5.520 -14.947 79 HD2 PHE 9 HD1 PHE 9 13.248 3.044 -11.835 80 HE1 PHE 9 HE2 PHE 9 12.258 3.774 -16.598 81 HE2 PHE 9 HE1 PHE 9 13.776 1.294 -13.481 82 HZ PHE 9 HZ PHE 9 13.282 1.658 -15.864 83 H GLU 10 H GLU 10 13.970 7.100 -9.749 84 HA GLU 10 HA GLU 10 15.926 4.935 -9.568 85 HB2 GLU 10 2HB GLU 10 17.147 6.946 -10.348 86 HB3 GLU 10 3HB GLU 10 16.567 7.825 -8.942 87 HG2 GLU 10 2HG GLU 10 17.786 6.334 -7.473 88 HG3 GLU 10 3HG GLU 10 18.321 5.383 -8.856 89 H ILE 11 H ILE 11 15.952 4.018 -7.580 90 HA ILE 11 HA ILE 11 14.045 5.077 -5.640 91 HB ILE 11 HB ILE 11 15.570 2.460 -5.613 92 HG12 ILE 11 2HG1 ILE 11 12.686 3.024 -6.350 93 HG13 ILE 11 3HG1 ILE 11 13.972 2.699 -7.507 94 HG21 ILE 11 1HG2 ILE 11 13.244 3.396 -3.934 95 HG22 ILE 11 2HG2 ILE 11 14.905 3.190 -3.380 96 HG23 ILE 11 3HG2 ILE 11 13.965 1.788 -3.891 97 HD11 ILE 11 3HD1 ILE 11 12.617 0.730 -7.144 98 HD12 ILE 11 1HD1 ILE 11 12.945 0.800 -5.412 99 HD13 ILE 11 2HD1 ILE 11 14.254 0.467 -6.544 100 H GLU 12 H GLU 12 14.959 6.701 -4.510 101 HA GLU 12 HA GLU 12 17.725 6.542 -3.674 102 HB2 GLU 12 2HB GLU 12 17.424 8.787 -2.818 103 HB3 GLU 12 3HB GLU 12 16.766 8.684 -4.444 104 HG2 GLU 12 2HG GLU 12 14.525 8.623 -3.602 105 HG3 GLU 12 3HG GLU 12 15.106 8.501 -1.942 106 H GLU 13 H GLU 13 14.655 5.762 -2.383 107 HA GLU 13 HA GLU 13 15.878 5.284 0.227 108 HB2 GLU 13 2HB GLU 13 14.770 7.449 0.418 109 HB3 GLU 13 3HB GLU 13 13.270 6.751 -0.174 110 HG2 GLU 13 2HG GLU 13 13.096 5.355 1.787 111 HG3 GLU 13 3HG GLU 13 14.656 5.934 2.369 112 H HIS 14 H HIS 14 15.670 3.207 0.551 113 HA HIS 14 HA HIS 14 13.246 1.804 -0.285 114 HB2 HIS 14 2HB HIS 14 15.416 0.749 -0.766 115 HB3 HIS 14 3HB HIS 14 15.825 0.787 0.942 116 HD1 HIS 14 HD1 HIS 14 15.502 -1.371 2.060 117 HD2 HIS 14 HD2 HIS 14 12.896 -0.896 -1.141 118 HE1 HIS 14 HE1 HIS 14 14.211 -3.520 1.917 119 HE2 HIS 14 HE2 HIS 14 12.855 -3.309 -0.199 120 H LEU 15 H LEU 15 11.598 1.972 1.114 121 HA LEU 15 HA LEU 15 11.931 2.716 3.822 122 HB2 LEU 15 2HB LEU 15 9.553 1.579 2.360 123 HB3 LEU 15 3HB LEU 15 9.497 2.165 4.012 124 HG LEU 15 HG LEU 15 10.232 3.856 1.621 125 HD11 LEU 15 1HD1 LEU 15 7.914 3.193 1.486 126 HD12 LEU 15 2HD1 LEU 15 8.027 4.887 1.959 127 HD13 LEU 15 3HD1 LEU 15 7.652 3.659 3.165 128 HD21 LEU 15 3HD2 LEU 15 11.238 4.628 3.700 129 HD22 LEU 15 1HD2 LEU 15 9.666 4.578 4.495 130 HD23 LEU 15 2HD2 LEU 15 9.954 5.723 3.184 131 H LEU 16 H LEU 16 10.421 -0.284 2.615 132 HA LEU 16 HA LEU 16 12.138 -1.949 4.169 133 HB2 LEU 16 2HB LEU 16 10.579 -2.811 5.763 134 HB3 LEU 16 3HB LEU 16 10.644 -1.071 5.951 135 HG LEU 16 HG LEU 16 8.487 -2.239 4.246 136 HD11 LEU 16 1HD1 LEU 16 8.497 -3.595 6.296 137 HD12 LEU 16 2HD1 LEU 16 7.072 -2.567 6.184 138 HD13 LEU 16 3HD1 LEU 16 8.398 -2.120 7.258 139 HD21 LEU 16 3HD2 LEU 16 8.594 0.104 6.143 140 HD22 LEU 16 1HD2 LEU 16 7.248 -0.323 5.087 141 HD23 LEU 16 2HD2 LEU 16 8.785 0.190 4.392 142 H THR 17 H THR 17 11.889 -4.126 3.723 143 HA THR 17 HA THR 17 10.191 -4.806 1.465 144 HB THR 17 HB THR 17 12.068 -6.573 3.056 145 HG1 THR 17 HG1 THR 17 12.563 -5.351 0.525 146 HG21 THR 17 3HG2 THR 17 10.829 -6.918 0.323 147 HG22 THR 17 1HG2 THR 17 10.412 -7.829 1.774 148 HG23 THR 17 2HG2 THR 17 12.012 -8.003 1.054 149 H LEU 18 H LEU 18 8.244 -5.774 1.658 150 HA LEU 18 HA LEU 18 7.162 -6.221 4.281 151 HB2 LEU 18 2HB LEU 18 5.960 -6.871 1.586 152 HB3 LEU 18 3HB LEU 18 5.104 -6.814 3.116 153 HG LEU 18 HG LEU 18 6.359 -4.466 1.690 154 HD11 LEU 18 1HD1 LEU 18 4.055 -3.712 1.403 155 HD12 LEU 18 2HD1 LEU 18 3.469 -5.186 2.177 156 HD13 LEU 18 3HD1 LEU 18 4.315 -5.276 0.632 157 HD21 LEU 18 3HD2 LEU 18 5.359 -3.102 3.447 158 HD22 LEU 18 1HD2 LEU 18 6.522 -4.244 4.119 159 HD23 LEU 18 2HD2 LEU 18 4.792 -4.556 4.268 160 H SER 19 H SER 19 7.345 -8.339 1.430 161 HA SER 19 HA SER 19 8.469 -10.487 2.988 162 HB2 SER 19 2HB SER 19 5.690 -10.726 1.803 163 HB3 SER 19 3HB SER 19 6.636 -12.084 2.416 164 HG SER 19 HG SER 19 6.459 -10.012 4.195 165 H GLU 20 H GLU 20 9.089 -12.301 1.641 166 HA GLU 20 HA GLU 20 9.251 -11.618 -1.220 167 HB2 GLU 20 2HB GLU 20 11.379 -11.877 0.261 168 HB3 GLU 20 3HB GLU 20 11.039 -13.596 0.181 169 HG2 GLU 20 2HG GLU 20 11.307 -11.934 -2.295 170 HG3 GLU 20 3HG GLU 20 12.711 -12.610 -1.476 171 H ASN 21 H ASN 21 7.672 -12.663 -2.252 172 HA ASN 21 HA ASN 21 6.463 -14.981 -0.984 173 HB2 ASN 21 2HB ASN 21 5.538 -13.498 -3.450 174 HB3 ASN 21 3HB ASN 21 4.605 -14.637 -2.487 175 HD21 ASN 21 1HD2 ASN 21 3.960 -14.002 -0.361 176 HD22 ASN 21 2HD2 ASN 21 3.785 -12.319 0.033 177 H GLU 22 H GLU 22 6.203 -16.956 -1.899 178 HA GLU 22 HA GLU 22 6.662 -18.792 -3.103 179 HB2 GLU 22 2HB GLU 22 5.449 -17.616 -4.858 180 HB3 GLU 22 3HB GLU 22 6.912 -16.777 -5.344 181 HG2 GLU 22 2HG GLU 22 6.405 -18.565 -6.874 182 HG3 GLU 22 3HG GLU 22 7.905 -18.890 -6.012 183 H LYS 23 H LYS 23 8.763 -16.905 -5.154 184 HA LYS 23 HA LYS 23 11.189 -17.232 -3.834 185 HB2 LYS 23 2HB LYS 23 12.150 -19.010 -5.452 186 HB3 LYS 23 3HB LYS 23 11.220 -19.551 -4.065 187 HG2 LYS 23 2HG LYS 23 9.273 -19.891 -5.482 188 HG3 LYS 23 3HG LYS 23 10.173 -19.296 -6.880 189 HD2 LYS 23 2HD LYS 23 11.661 -21.153 -6.811 190 HD3 LYS 23 3HD LYS 23 11.046 -21.667 -5.238 191 HE2 LYS 23 2HE LYS 23 9.318 -21.536 -7.698 192 HE3 LYS 23 3HE LYS 23 10.239 -22.973 -7.259 193 HZ1 LYS 23 3HZ LYS 23 8.299 -21.684 -5.415 194 HZ2 LYS 23 1HZ LYS 23 9.006 -23.220 -5.281 195 HZ3 LYS 23 2HZ LYS 23 7.862 -22.915 -6.494 196 H GLY 24 H GLY 24 10.997 -15.074 -4.667 197 HA2 GLY 24 2HA GLY 24 12.530 -13.992 -6.367 198 HA3 GLY 24 3HA GLY 24 11.596 -14.885 -7.560 199 H TRP 25 H TRP 25 9.264 -14.291 -5.518 200 HA TRP 25 HA TRP 25 8.504 -11.816 -6.874 201 HB2 TRP 25 2HB TRP 25 7.002 -13.987 -5.474 202 HB3 TRP 25 3HB TRP 25 6.287 -12.382 -5.541 203 HD1 TRP 25 HD1 TRP 25 7.092 -15.394 -7.732 204 HE1 TRP 25 HE1 TRP 25 5.925 -15.086 -10.012 205 HE3 TRP 25 HE3 TRP 25 5.515 -10.561 -7.186 206 HZ2 TRP 25 HZ2 TRP 25 4.527 -13.055 -11.382 207 HZ3 TRP 25 HZ3 TRP 25 4.272 -9.510 -9.028 208 HH2 TRP 25 HH2 TRP 25 3.792 -10.734 -11.085 209 H THR 26 H THR 26 9.887 -10.418 -5.678 210 HA THR 26 HA THR 26 9.510 -10.307 -2.797 211 HB THR 26 HB THR 26 11.109 -8.393 -4.509 212 HG1 THR 26 HG1 THR 26 11.531 -11.016 -4.066 213 HG21 THR 26 3HG2 THR 26 12.384 -8.041 -2.453 214 HG22 THR 26 1HG2 THR 26 11.362 -9.202 -1.607 215 HG23 THR 26 2HG2 THR 26 10.676 -7.686 -2.191 216 H LYS 27 H LYS 27 8.319 -8.793 -1.735 217 HA LYS 27 HA LYS 27 7.046 -6.703 -3.365 218 HB2 LYS 27 2HB LYS 27 5.525 -8.654 -2.935 219 HB3 LYS 27 3HB LYS 27 5.661 -8.315 -1.215 220 HG2 LYS 27 2HG LYS 27 4.533 -6.251 -1.433 221 HG3 LYS 27 3HG LYS 27 4.656 -6.290 -3.194 222 HD2 LYS 27 2HD LYS 27 2.401 -6.877 -2.448 223 HD3 LYS 27 3HD LYS 27 3.180 -8.236 -3.261 224 HE2 LYS 27 2HE LYS 27 3.807 -9.124 -1.016 225 HE3 LYS 27 3HE LYS 27 2.847 -7.835 -0.292 226 HZ1 LYS 27 3HZ LYS 27 0.900 -8.721 -1.479 227 HZ2 LYS 27 1HZ LYS 27 1.567 -9.846 -0.395 228 HZ3 LYS 27 2HZ LYS 27 1.847 -10.001 -2.063 229 H GLU 28 H GLU 28 7.503 -4.768 -2.586 230 HA GLU 28 HA GLU 28 7.792 -4.369 0.277 231 HB2 GLU 28 2HB GLU 28 10.046 -3.285 -0.096 232 HB3 GLU 28 3HB GLU 28 10.008 -5.039 -0.211 233 HG2 GLU 28 2HG GLU 28 9.941 -4.858 -2.664 234 HG3 GLU 28 3HG GLU 28 10.055 -3.104 -2.517 235 H ILE 29 H ILE 29 8.488 -2.000 0.661 236 HA ILE 29 HA ILE 29 7.087 -0.280 -1.278 237 HB ILE 29 HB ILE 29 7.170 0.160 1.715 238 HG12 ILE 29 2HG1 ILE 29 4.900 -0.902 0.012 239 HG13 ILE 29 3HG1 ILE 29 5.858 -1.861 1.135 240 HG21 ILE 29 1HG2 ILE 29 5.526 1.470 -0.453 241 HG22 ILE 29 2HG2 ILE 29 6.931 2.180 0.338 242 HG23 ILE 29 3HG2 ILE 29 5.472 1.849 1.269 243 HD11 ILE 29 3HD1 ILE 29 3.717 -1.267 2.094 244 HD12 ILE 29 1HD1 ILE 29 4.067 0.445 1.855 245 HD13 ILE 29 2HD1 ILE 29 5.033 -0.503 2.987 246 H ASN 30 H ASN 30 8.202 1.416 -2.000 247 HA ASN 30 HA ASN 30 10.492 2.427 -0.504 248 HB2 ASN 30 2HB ASN 30 11.899 2.322 -2.620 249 HB3 ASN 30 3HB ASN 30 11.617 0.792 -1.803 250 HD21 ASN 30 1HD2 ASN 30 9.240 2.427 -3.848 251 HD22 ASN 30 2HD2 ASN 30 9.252 1.235 -5.098 252 H ARG 31 H ARG 31 11.424 4.415 -1.615 253 HA ARG 31 HA ARG 31 9.231 5.873 -2.921 254 HB2 ARG 31 2HB ARG 31 11.534 6.819 -1.241 255 HB3 ARG 31 3HB ARG 31 10.714 7.916 -2.342 256 HG2 ARG 31 2HG ARG 31 8.561 7.124 -1.150 257 HG3 ARG 31 3HG ARG 31 9.667 6.568 0.108 258 HD2 ARG 31 2HD ARG 31 9.539 9.383 -0.971 259 HD3 ARG 31 3HD ARG 31 8.783 8.841 0.525 260 HE ARG 31 HE ARG 31 11.127 8.266 1.254 261 HH11 ARG 31 1HH1 ARG 31 10.491 10.817 -1.087 262 HH12 ARG 31 2HH1 ARG 31 11.923 11.713 -0.672 263 HH21 ARG 31 1HH2 ARG 31 12.985 9.448 1.790 264 HH22 ARG 31 2HH2 ARG 31 13.357 10.919 0.939 265 H VAL 32 H VAL 32 9.376 6.315 -4.971 266 HA VAL 32 HA VAL 32 11.958 5.946 -6.315 267 HB VAL 32 HB VAL 32 9.191 6.074 -7.528 268 HG11 VAL 32 1HG1 VAL 32 10.289 5.180 -9.541 269 HG12 VAL 32 2HG1 VAL 32 11.850 5.318 -8.732 270 HG13 VAL 32 3HG1 VAL 32 10.913 6.768 -9.091 271 HG21 VAL 32 3HG2 VAL 32 10.938 3.686 -6.947 272 HG22 VAL 32 1HG2 VAL 32 9.416 3.652 -7.834 273 HG23 VAL 32 2HG2 VAL 32 9.433 4.101 -6.129 274 H SER 33 H SER 33 13.025 7.639 -7.055 275 HA SER 33 HA SER 33 11.807 10.274 -6.993 276 HB2 SER 33 2HB SER 33 14.629 9.656 -7.852 277 HB3 SER 33 3HB SER 33 14.003 11.120 -7.091 278 HG SER 33 HG SER 33 14.416 10.261 -5.222 279 H PHE 34 H PHE 34 10.613 10.752 -8.740 280 HA PHE 34 HA PHE 34 11.434 9.838 -11.378 281 HB2 PHE 34 2HB PHE 34 9.036 11.429 -10.440 282 HB3 PHE 34 3HB PHE 34 9.340 11.021 -12.126 283 HD1 PHE 34 HD2 PHE 34 9.230 8.691 -12.879 284 HD2 PHE 34 HD1 PHE 34 8.209 9.796 -8.900 285 HE1 PHE 34 HE2 PHE 34 8.097 6.527 -12.573 286 HE2 PHE 34 HE1 PHE 34 7.074 7.634 -8.586 287 HZ PHE 34 HZ PHE 34 7.016 5.998 -10.426 288 H ASN 35 H ASN 35 12.864 10.923 -12.472 289 HA ASN 35 HA ASN 35 14.018 12.609 -13.461 290 HB2 ASN 35 2HB ASN 35 11.960 14.387 -12.163 291 HB3 ASN 35 3HB ASN 35 13.336 15.036 -13.047 292 HD21 ASN 35 1HD2 ASN 35 10.291 13.431 -13.264 293 HD22 ASN 35 2HD2 ASN 35 10.141 13.503 -14.984 294 H GLY 36 H GLY 36 13.236 13.042 -10.041 295 HA2 GLY 36 2HA GLY 36 15.657 12.590 -8.985 296 HA3 GLY 36 3HA GLY 36 15.827 14.250 -9.537 297 H ALA 37 H ALA 37 13.824 15.649 -8.854 298 HA ALA 37 HA ALA 37 14.023 15.757 -6.029 299 HB1 ALA 37 3HB ALA 37 13.876 17.763 -7.434 300 HB2 ALA 37 1HB ALA 37 12.688 17.747 -6.131 301 HB3 ALA 37 2HB ALA 37 12.194 17.372 -7.780 302 HA PRO 38 HA PRO 38 9.366 14.643 -5.885 303 HB2 PRO 38 2HB PRO 38 8.673 13.446 -8.460 304 HB3 PRO 38 3HB PRO 38 7.896 14.779 -7.603 305 HG2 PRO 38 2HG PRO 38 9.299 15.156 -9.878 306 HG3 PRO 38 3HG PRO 38 9.237 16.371 -8.586 307 HD2 PRO 38 2HD PRO 38 11.386 14.360 -9.189 308 HD3 PRO 38 3HD PRO 38 11.548 16.080 -8.777 309 H ALA 39 H ALA 39 10.526 13.100 -4.621 310 HA ALA 39 HA ALA 39 10.450 10.360 -5.684 311 HB1 ALA 39 3HB ALA 39 11.915 9.765 -3.812 312 HB2 ALA 39 1HB ALA 39 11.877 11.436 -3.251 313 HB3 ALA 39 2HB ALA 39 12.624 11.043 -4.799 314 H LYS 40 H LYS 40 8.445 9.566 -5.308 315 HA LYS 40 HA LYS 40 7.363 10.024 -2.610 316 HB2 LYS 40 2HB LYS 40 5.108 9.926 -3.491 317 HB3 LYS 40 3HB LYS 40 6.024 11.198 -4.281 318 HG2 LYS 40 2HG LYS 40 6.284 9.854 -6.256 319 HG3 LYS 40 3HG LYS 40 5.513 8.479 -5.460 320 HD2 LYS 40 2HD LYS 40 3.758 9.355 -6.676 321 HD3 LYS 40 3HD LYS 40 3.532 10.133 -5.111 322 HE2 LYS 40 2HE LYS 40 4.831 11.342 -7.551 323 HE3 LYS 40 3HE LYS 40 3.238 11.728 -6.915 324 HZ1 LYS 40 3HZ LYS 40 4.245 12.668 -4.960 325 HZ2 LYS 40 1HZ LYS 40 4.918 13.381 -6.344 326 HZ3 LYS 40 2HZ LYS 40 5.793 12.217 -5.483 327 H PHE 41 H PHE 41 5.381 8.285 -2.416 328 HA PHE 41 HA PHE 41 6.982 5.942 -1.915 329 HB2 PHE 41 2HB PHE 41 4.094 6.458 -1.194 330 HB3 PHE 41 3HB PHE 41 5.169 5.263 -0.474 331 HD1 PHE 41 HD2 PHE 41 6.905 5.941 1.081 332 HD2 PHE 41 HD1 PHE 41 4.220 8.781 -0.593 333 HE1 PHE 41 HE2 PHE 41 7.571 7.576 2.796 334 HE2 PHE 41 HE1 PHE 41 4.880 10.424 1.114 335 HZ PHE 41 HZ PHE 41 6.556 9.822 2.813 336 H ASP 42 H ASP 42 6.796 3.995 -2.861 337 HA ASP 42 HA ASP 42 4.527 3.491 -4.651 338 HB2 ASP 42 2HB ASP 42 6.439 4.308 -6.011 339 HB3 ASP 42 3HB ASP 42 7.428 3.002 -5.371 340 H ILE 43 H ILE 43 3.651 1.571 -4.268 341 HA ILE 43 HA ILE 43 5.205 -0.417 -2.742 342 HB ILE 43 HB ILE 43 2.211 -0.344 -3.193 343 HG12 ILE 43 2HG1 ILE 43 3.789 0.505 -0.749 344 HG13 ILE 43 3HG1 ILE 43 2.972 1.597 -1.863 345 HG21 ILE 43 1HG2 ILE 43 3.911 -1.972 -1.303 346 HG22 ILE 43 2HG2 ILE 43 3.088 -2.568 -2.743 347 HG23 ILE 43 3HG2 ILE 43 2.149 -1.989 -1.367 348 HD11 ILE 43 3HD1 ILE 43 1.668 -0.455 -0.093 349 HD12 ILE 43 1HD1 ILE 43 0.826 0.569 -1.254 350 HD13 ILE 43 2HD1 ILE 43 1.651 1.296 0.125 351 H ARG 44 H ARG 44 6.139 -1.889 -4.059 352 HA ARG 44 HA ARG 44 4.655 -2.692 -6.460 353 HB2 ARG 44 2HB ARG 44 6.312 -0.846 -6.914 354 HB3 ARG 44 3HB ARG 44 7.583 -1.979 -6.480 355 HG2 ARG 44 2HG ARG 44 7.224 -3.297 -8.356 356 HG3 ARG 44 3HG ARG 44 5.603 -2.645 -8.620 357 HD2 ARG 44 2HD ARG 44 8.226 -1.212 -9.014 358 HD3 ARG 44 3HD ARG 44 7.098 -1.726 -10.270 359 HE ARG 44 HE ARG 44 6.476 0.347 -8.241 360 HH11 ARG 44 1HH1 ARG 44 6.320 -0.894 -11.518 361 HH12 ARG 44 2HH1 ARG 44 5.282 0.374 -12.086 362 HH21 ARG 44 1HH2 ARG 44 5.142 2.033 -8.975 363 HH22 ARG 44 2HH2 ARG 44 4.625 2.055 -10.639 364 H ALA 45 H ALA 45 4.953 -4.735 -7.159 365 HA ALA 45 HA ALA 45 6.642 -6.477 -5.514 366 HB1 ALA 45 3HB ALA 45 4.412 -7.213 -7.416 367 HB2 ALA 45 1HB ALA 45 4.277 -7.117 -5.660 368 HB3 ALA 45 2HB ALA 45 5.322 -8.330 -6.400 369 H TRP 46 H TRP 46 8.331 -7.518 -6.364 370 HA TRP 46 HA TRP 46 8.961 -6.957 -9.183 371 HB2 TRP 46 2HB TRP 46 10.848 -7.681 -6.924 372 HB3 TRP 46 3HB TRP 46 11.311 -7.250 -8.565 373 HD1 TRP 46 HD1 TRP 46 10.663 -5.766 -5.216 374 HE1 TRP 46 HE1 TRP 46 10.812 -3.201 -5.337 375 HE3 TRP 46 HE3 TRP 46 10.670 -5.194 -10.296 376 HZ2 TRP 46 HZ2 TRP 46 10.915 -1.205 -7.318 377 HZ3 TRP 46 HZ3 TRP 46 10.797 -2.918 -11.223 378 HH2 TRP 46 HH2 TRP 46 10.915 -0.965 -9.763 379 H SER 47 H SER 47 9.663 -8.625 -10.498 380 HA SER 47 HA SER 47 8.905 -11.297 -9.551 381 HB2 SER 47 2HB SER 47 9.253 -10.344 -12.401 382 HB3 SER 47 3HB SER 47 8.486 -11.838 -11.861 383 HG SER 47 HG SER 47 7.326 -9.742 -10.658 384 HA PRO 48 HA PRO 48 13.043 -12.880 -10.138 385 HB2 PRO 48 2HB PRO 48 12.598 -15.220 -11.474 386 HB3 PRO 48 3HB PRO 48 12.312 -15.013 -9.742 387 HG2 PRO 48 2HG PRO 48 10.363 -14.929 -12.011 388 HG3 PRO 48 3HG PRO 48 10.195 -15.691 -10.418 389 HD2 PRO 48 2HD PRO 48 9.063 -13.313 -11.002 390 HD3 PRO 48 3HD PRO 48 9.674 -13.696 -9.380 391 H ASP 49 H ASP 49 13.863 -14.545 -12.306 392 HA ASP 49 HA ASP 49 14.900 -12.701 -14.071 393 HB2 ASP 49 2HB ASP 49 14.451 -15.665 -14.390 394 HB3 ASP 49 3HB ASP 49 15.314 -14.698 -15.583 395 H HIS 50 H HIS 50 14.528 -12.185 -16.213 396 HA HIS 50 HA HIS 50 13.322 -11.497 -17.998 397 HB2 HIS 50 2HB HIS 50 12.512 -13.840 -18.224 398 HB3 HIS 50 3HB HIS 50 11.168 -13.451 -17.153 399 HD1 HIS 50 HD1 HIS 50 9.153 -12.308 -18.185 400 HD2 HIS 50 HD2 HIS 50 12.399 -12.526 -20.769 401 HE1 HIS 50 HE1 HIS 50 8.294 -11.537 -20.417 402 HE2 HIS 50 HE2 HIS 50 10.331 -11.457 -21.894 403 H THR 51 H THR 51 11.435 -11.928 -15.041 404 HA THR 51 HA THR 51 10.178 -10.494 -13.821 405 HB THR 51 HB THR 51 11.122 -8.340 -15.725 406 HG1 THR 51 HG1 THR 51 12.333 -9.681 -13.600 407 HG21 THR 51 3HG2 THR 51 10.608 -6.808 -13.889 408 HG22 THR 51 1HG2 THR 51 10.019 -8.157 -12.917 409 HG23 THR 51 2HG2 THR 51 9.164 -7.692 -14.388 410 H LYS 52 H LYS 52 8.043 -9.965 -13.770 411 HA LYS 52 HA LYS 52 6.621 -9.706 -16.313 412 HB2 LYS 52 2HB LYS 52 4.937 -11.352 -15.531 413 HB3 LYS 52 3HB LYS 52 6.522 -12.067 -15.779 414 HG2 LYS 52 2HG LYS 52 6.885 -11.773 -13.289 415 HG3 LYS 52 3HG LYS 52 5.157 -11.430 -13.187 416 HD2 LYS 52 2HD LYS 52 5.438 -13.746 -12.724 417 HD3 LYS 52 3HD LYS 52 4.753 -13.621 -14.345 418 HE2 LYS 52 2HE LYS 52 6.919 -14.002 -15.333 419 HE3 LYS 52 3HE LYS 52 7.688 -13.977 -13.747 420 HZ1 LYS 52 3HZ LYS 52 6.428 -15.966 -13.157 421 HZ2 LYS 52 1HZ LYS 52 7.383 -16.233 -14.535 422 HZ3 LYS 52 2HZ LYS 52 5.712 -15.987 -14.691 423 H MET 53 H MET 53 4.078 -9.511 -15.505 424 HA MET 53 HA MET 53 4.013 -6.931 -14.330 425 HB2 MET 53 2HB MET 53 1.841 -8.891 -15.050 426 HB3 MET 53 3HB MET 53 1.496 -7.314 -14.352 427 HG2 MET 53 2HG MET 53 3.010 -7.766 -16.913 428 HG3 MET 53 3HG MET 53 1.294 -7.367 -16.807 429 HE1 MET 53 3HE MET 53 1.813 -5.338 -18.491 430 HE2 MET 53 1HE MET 53 3.536 -5.713 -18.483 431 HE3 MET 53 2HE MET 53 2.992 -4.070 -18.155 432 H GLY 54 H GLY 54 4.304 -6.487 -12.267 433 HA2 GLY 54 2HA GLY 54 3.080 -8.280 -10.262 434 HA3 GLY 54 3HA GLY 54 4.608 -7.449 -10.001 435 H LYS 55 H LYS 55 1.764 -6.089 -11.520 436 HA LYS 55 HA LYS 55 0.384 -4.377 -11.024 437 HB2 LYS 55 2HB LYS 55 0.930 -5.406 -8.257 438 HB3 LYS 55 3HB LYS 55 -0.047 -3.967 -8.500 439 HG2 LYS 55 2HG LYS 55 -1.482 -5.875 -8.257 440 HG3 LYS 55 3HG LYS 55 -1.582 -5.281 -9.913 441 HD2 LYS 55 2HD LYS 55 -0.083 -7.060 -10.650 442 HD3 LYS 55 3HD LYS 55 0.069 -7.635 -8.988 443 HE2 LYS 55 2HE LYS 55 -2.537 -7.480 -10.500 444 HE3 LYS 55 3HE LYS 55 -1.544 -8.931 -10.388 445 HZ1 LYS 55 3HZ LYS 55 -3.385 -8.833 -8.758 446 HZ2 LYS 55 1HZ LYS 55 -2.645 -7.496 -8.032 447 HZ3 LYS 55 2HZ LYS 55 -1.859 -8.999 -8.041 448 H GLY 56 H GLY 56 1.891 -3.521 -8.033 449 HA2 GLY 56 2HA GLY 56 3.453 -1.886 -7.499 450 HA3 GLY 56 3HA GLY 56 3.783 -1.681 -9.212 451 H ILE 57 H ILE 57 2.225 -0.409 -6.487 452 HA ILE 57 HA ILE 57 0.747 1.505 -8.172 453 HB ILE 57 HB ILE 57 -0.832 0.081 -7.004 454 HG12 ILE 57 2HG1 ILE 57 -0.722 2.824 -5.733 455 HG13 ILE 57 3HG1 ILE 57 -1.392 2.465 -7.321 456 HG21 ILE 57 1HG2 ILE 57 -0.970 0.041 -4.553 457 HG22 ILE 57 2HG2 ILE 57 0.528 0.968 -4.466 458 HG23 ILE 57 3HG2 ILE 57 0.534 -0.657 -5.153 459 HD11 ILE 57 3HD1 ILE 57 -2.419 1.436 -4.685 460 HD12 ILE 57 1HD1 ILE 57 -3.084 1.041 -6.271 461 HD13 ILE 57 2HD1 ILE 57 -3.149 2.700 -5.676 462 H THR 58 H THR 58 1.236 3.566 -7.920 463 HA THR 58 HA THR 58 3.174 4.320 -5.884 464 HB THR 58 HB THR 58 2.125 6.064 -8.109 465 HG1 THR 58 HG1 THR 58 4.106 4.011 -8.161 466 HG21 THR 58 3HG2 THR 58 3.448 7.182 -6.382 467 HG22 THR 58 1HG2 THR 58 4.327 7.132 -7.911 468 HG23 THR 58 2HG2 THR 58 4.749 6.015 -6.613 469 H LEU 59 H LEU 59 2.744 5.680 -4.226 470 HA LEU 59 HA LEU 59 0.021 6.813 -4.047 471 HB2 LEU 59 2HB LEU 59 1.798 5.946 -1.759 472 HB3 LEU 59 3HB LEU 59 0.160 6.554 -1.633 473 HG LEU 59 HG LEU 59 0.959 3.933 -2.906 474 HD11 LEU 59 1HD1 LEU 59 1.237 3.915 -0.489 475 HD12 LEU 59 2HD1 LEU 59 -0.143 2.925 -0.967 476 HD13 LEU 59 3HD1 LEU 59 -0.402 4.529 -0.282 477 HD21 LEU 59 3HD2 LEU 59 -1.765 5.113 -2.366 478 HD22 LEU 59 1HD2 LEU 59 -1.446 3.490 -2.977 479 HD23 LEU 59 2HD2 LEU 59 -1.023 4.897 -3.951 480 H SER 60 H SER 60 -0.161 8.943 -3.288 481 HA SER 60 HA SER 60 2.268 10.503 -3.514 482 HB2 SER 60 2HB SER 60 0.801 12.461 -3.326 483 HB3 SER 60 3HB SER 60 0.191 11.341 -4.541 484 HG SER 60 HG SER 60 -1.381 10.655 -3.107 485 H ASN 61 H ASN 61 2.692 12.226 -1.845 486 HA ASN 61 HA ASN 61 3.377 11.000 0.561 487 HB2 ASN 61 2HB ASN 61 4.556 12.959 -0.240 488 HB3 ASN 61 3HB ASN 61 3.107 13.945 -0.076 489 HD21 ASN 61 1HD2 ASN 61 2.492 14.668 1.947 490 HD22 ASN 61 2HD2 ASN 61 3.510 14.536 3.339 491 H GLU 62 H GLU 62 0.644 13.137 -0.156 492 HA GLU 62 HA GLU 62 -0.268 13.438 2.492 493 HB2 GLU 62 2HB GLU 62 -0.930 14.889 0.608 494 HB3 GLU 62 3HB GLU 62 -1.847 13.559 -0.082 495 HG2 GLU 62 2HG GLU 62 -3.331 13.555 1.834 496 HG3 GLU 62 3HG GLU 62 -2.391 14.851 2.578 497 H GLU 63 H GLU 63 -1.309 11.220 -0.072 498 HA GLU 63 HA GLU 63 -3.349 9.965 1.411 499 HB2 GLU 63 2HB GLU 63 -1.751 8.839 -0.896 500 HB3 GLU 63 3HB GLU 63 -3.334 8.291 -0.355 501 HG2 GLU 63 2HG GLU 63 -4.353 10.339 -1.028 502 HG3 GLU 63 3HG GLU 63 -2.786 11.066 -1.374 503 H PHE 64 H PHE 64 0.067 9.277 0.995 504 HA PHE 64 HA PHE 64 0.074 6.759 2.289 505 HB2 PHE 64 2HB PHE 64 1.853 7.817 0.760 506 HB3 PHE 64 3HB PHE 64 2.409 8.658 2.203 507 HD1 PHE 64 HD2 PHE 64 2.062 5.408 0.559 508 HD2 PHE 64 HD1 PHE 64 3.573 7.487 3.950 509 HE1 PHE 64 HE2 PHE 64 3.425 3.447 1.150 510 HE2 PHE 64 HE1 PHE 64 4.940 5.531 4.544 511 HZ PHE 64 HZ PHE 64 4.867 3.509 3.145 512 H GLN 65 H GLN 65 0.763 10.058 3.406 513 HA GLN 65 HA GLN 65 1.421 9.463 6.061 514 HB2 GLN 65 2HB GLN 65 1.705 11.683 4.937 515 HB3 GLN 65 3HB GLN 65 -0.033 11.917 5.051 516 HG2 GLN 65 2HG GLN 65 0.913 13.129 6.830 517 HG3 GLN 65 3HG GLN 65 0.214 11.677 7.546 518 HE21 GLN 65 1HE2 GLN 65 1.542 11.752 9.341 519 HE22 GLN 65 2HE2 GLN 65 3.230 11.388 9.263 520 H THR 66 H THR 66 -1.664 9.934 4.470 521 HA THR 66 HA THR 66 -3.355 10.083 6.683 522 HB THR 66 HB THR 66 -3.914 8.900 3.954 523 HG1 THR 66 HG1 THR 66 -3.254 11.082 3.857 524 HG21 THR 66 3HG2 THR 66 -5.825 9.927 6.057 525 HG22 THR 66 1HG2 THR 66 -5.609 8.240 5.592 526 HG23 THR 66 2HG2 THR 66 -6.265 9.395 4.433 527 H MET 67 H MET 67 -2.426 7.201 4.768 528 HA MET 67 HA MET 67 -3.989 5.415 6.298 529 HB2 MET 67 2HB MET 67 -3.009 3.659 5.070 530 HB3 MET 67 3HB MET 67 -3.046 5.020 3.958 531 HG2 MET 67 2HG MET 67 -0.723 5.408 4.229 532 HG3 MET 67 3HG MET 67 -0.628 4.273 5.575 533 HE1 MET 67 3HE MET 67 1.542 3.913 3.506 534 HE2 MET 67 1HE MET 67 1.438 2.189 3.141 535 HE3 MET 67 2HE MET 67 1.226 2.756 4.800 536 H VAL 68 H VAL 68 -0.642 6.486 6.600 537 HA VAL 68 HA VAL 68 0.239 4.506 8.391 538 HB VAL 68 HB VAL 68 1.207 7.336 7.980 539 HG11 VAL 68 1HG1 VAL 68 3.247 6.663 9.163 540 HG12 VAL 68 2HG1 VAL 68 2.518 5.101 9.537 541 HG13 VAL 68 3HG1 VAL 68 1.839 6.579 10.222 542 HG21 VAL 68 3HG2 VAL 68 1.452 5.922 6.037 543 HG22 VAL 68 1HG2 VAL 68 2.194 4.655 7.014 544 HG23 VAL 68 2HG2 VAL 68 3.035 6.183 6.769 545 H ASP 69 H ASP 69 -1.218 7.685 8.965 546 HA ASP 69 HA ASP 69 -1.029 7.682 11.765 547 HB2 ASP 69 2HB ASP 69 -1.620 9.703 10.552 548 HB3 ASP 69 3HB ASP 69 -3.093 8.952 9.947 549 H ALA 70 H ALA 70 -3.632 6.587 9.616 550 HA ALA 70 HA ALA 70 -5.406 5.804 11.672 551 HB1 ALA 70 3HB ALA 70 -6.095 6.259 9.353 552 HB2 ALA 70 1HB ALA 70 -6.666 4.695 9.936 553 HB3 ALA 70 2HB ALA 70 -5.285 4.778 8.843 554 H PHE 71 H PHE 71 -3.053 3.948 9.754 555 HA PHE 71 HA PHE 71 -3.732 1.459 10.972 556 HB2 PHE 71 2HB PHE 71 -1.350 2.292 9.314 557 HB3 PHE 71 3HB PHE 71 -1.593 0.652 9.903 558 HD1 PHE 71 HD1 PHE 71 -4.570 0.464 9.542 559 HD2 PHE 71 HD2 PHE 71 -1.503 1.984 7.012 560 HE1 PHE 71 HE1 PHE 71 -5.949 -0.047 7.572 561 HE2 PHE 71 HE2 PHE 71 -2.880 1.477 5.039 562 HZ PHE 71 HZ PHE 71 -5.100 0.460 5.315 563 H LYS 72 H LYS 72 -1.548 4.037 11.813 564 HA LYS 72 HA LYS 72 -0.029 2.545 13.693 565 HB2 LYS 72 2HB LYS 72 0.812 4.679 12.896 566 HB3 LYS 72 3HB LYS 72 -0.593 5.514 13.552 567 HG2 LYS 72 2HG LYS 72 0.091 5.047 15.795 568 HG3 LYS 72 3HG LYS 72 1.384 3.988 15.234 569 HD2 LYS 72 2HD LYS 72 2.452 5.939 14.148 570 HD3 LYS 72 3HD LYS 72 1.196 6.972 14.835 571 HE2 LYS 72 2HE LYS 72 1.885 6.420 17.068 572 HE3 LYS 72 3HE LYS 72 3.027 5.222 16.466 573 HZ1 LYS 72 3HZ LYS 72 4.293 6.988 15.429 574 HZ2 LYS 72 1HZ LYS 72 4.128 7.281 17.093 575 HZ3 LYS 72 2HZ LYS 72 3.185 8.149 15.979 576 H GLY 73 H GLY 73 -3.110 4.175 13.785 577 HA2 GLY 73 2HA GLY 73 -3.277 4.059 16.673 578 HA3 GLY 73 3HA GLY 73 -4.501 4.675 15.579 579 H ASN 74 H ASN 74 -3.776 1.725 14.328 580 HA ASN 74 HA ASN 74 -5.357 0.131 16.150 581 HB2 ASN 74 2HB ASN 74 -6.923 1.610 14.658 582 HB3 ASN 74 3HB ASN 74 -6.517 0.451 13.395 583 HD21 ASN 74 1HD2 ASN 74 -8.171 0.964 16.396 584 HD22 ASN 74 2HD2 ASN 74 -9.052 -0.531 16.404 585 H LEU 75 H LEU 75 -6.184 -1.817 14.322 586 HA LEU 75 HA LEU 75 -5.605 -3.592 13.072 587 HB2 LEU 75 2HB LEU 75 -4.679 -1.953 11.480 588 HB3 LEU 75 3HB LEU 75 -3.131 -2.058 12.300 589 HG LEU 75 HG LEU 75 -3.131 -4.525 11.762 590 HD11 LEU 75 1HD1 LEU 75 -5.392 -3.706 9.947 591 HD12 LEU 75 2HD1 LEU 75 -5.504 -4.794 11.330 592 HD13 LEU 75 3HD1 LEU 75 -4.557 -5.260 9.918 593 HD21 LEU 75 3HD2 LEU 75 -3.137 -2.589 9.458 594 HD22 LEU 75 1HD2 LEU 75 -2.393 -4.189 9.465 595 HD23 LEU 75 2HD2 LEU 75 -1.780 -2.927 10.535 596 H GLU 76 H GLU 76 -3.165 -2.326 15.228 597 HA GLU 76 HA GLU 76 -1.511 -4.643 15.205 598 HB2 GLU 76 2HB GLU 76 -0.456 -3.600 17.216 599 HB3 GLU 76 3HB GLU 76 -0.522 -2.555 15.803 600 HG2 GLU 76 2HG GLU 76 -2.254 -1.254 16.717 601 HG3 GLU 76 3HG GLU 76 -2.586 -2.442 17.976 602 H HIS 77 H HIS 77 -4.546 -4.584 16.199 603 HA HIS 77 HA HIS 77 -4.291 -5.820 18.774 604 HB2 HIS 77 2HB HIS 77 -6.746 -6.361 18.469 605 HB3 HIS 77 3HB HIS 77 -6.329 -4.658 18.465 606 HD1 HIS 77 HD1 HIS 77 -6.254 -7.066 15.512 607 HD2 HIS 77 HD2 HIS 77 -8.202 -3.632 16.814 608 HE1 HIS 77 HE1 HIS 77 -7.730 -6.356 13.601 609 HE2 HIS 77 HE2 HIS 77 -9.074 -4.425 14.510 610 H HIS 78 H HIS 78 -3.958 -7.852 19.241 611 HA HIS 78 HA HIS 78 -3.211 -9.757 17.328 612 HB2 HIS 78 2HB HIS 78 -2.383 -9.860 19.594 613 HB3 HIS 78 3HB HIS 78 -4.008 -10.048 20.233 614 HD1 HIS 78 HD1 HIS 78 -1.720 -11.994 17.857 615 HD2 HIS 78 HD2 HIS 78 -4.554 -12.609 20.844 616 HE1 HIS 78 HE1 HIS 78 -1.848 -14.483 18.175 617 HE2 HIS 78 HE2 HIS 78 -3.463 -14.828 20.077 618 H HIS 79 H HIS 79 -4.243 -11.389 16.319 619 HA HIS 79 HA HIS 79 -7.093 -11.256 16.085 620 HB2 HIS 79 2HB HIS 79 -5.637 -11.728 14.160 621 HB3 HIS 79 3HB HIS 79 -5.125 -13.234 14.908 622 HD1 HIS 79 HD1 HIS 79 -8.582 -11.767 14.158 623 HD2 HIS 79 HD2 HIS 79 -6.384 -15.266 13.654 624 HE1 HIS 79 HE1 HIS 79 -10.120 -13.376 12.987 625 HE2 HIS 79 HE2 HIS 79 -8.749 -15.456 12.613 626 H HIS 80 H HIS 80 -6.714 -11.763 18.652 627 HA HIS 80 HA HIS 80 -8.483 -13.910 19.017 628 HB2 HIS 80 2HB HIS 80 -6.340 -15.234 18.830 629 HB3 HIS 80 3HB HIS 80 -5.778 -14.407 20.281 630 HD1 HIS 80 HD1 HIS 80 -8.429 -16.826 19.124 631 HD2 HIS 80 HD2 HIS 80 -6.758 -15.432 22.669 632 HE1 HIS 80 HE1 HIS 80 -9.395 -18.268 20.944 633 HE2 HIS 80 HE2 HIS 80 -8.590 -17.216 23.088 634 H HIS 81 H HIS 81 -9.190 -11.707 19.632 635 HA HIS 81 HA HIS 81 -8.405 -10.993 22.371 636 HB2 HIS 81 2HB HIS 81 -9.714 -8.911 21.978 637 HB3 HIS 81 3HB HIS 81 -8.405 -9.114 20.822 638 HD1 HIS 81 HD1 HIS 81 -12.057 -8.693 21.064 639 HD2 HIS 81 HD2 HIS 81 -9.287 -9.849 18.185 640 HE1 HIS 81 HE1 HIS 81 -13.282 -8.616 18.870 641 HE2 HIS 81 HE2 HIS 81 -11.669 -9.610 17.213 642 H HIS 82 H HIS 82 -10.873 -12.342 20.433 643 HA HIS 82 HA HIS 82 -12.285 -13.419 22.624 644 HB2 HIS 82 2HB HIS 82 -13.093 -10.995 22.622 645 HB3 HIS 82 3HB HIS 82 -13.848 -11.349 21.072 646 HD1 HIS 82 HD1 HIS 82 -14.077 -12.165 24.728 647 HD2 HIS 82 HD2 HIS 82 -16.210 -12.804 21.211 648 HE1 HIS 82 HE1 HIS 82 -16.301 -13.099 25.441 649 HE2 HIS 82 HE2 HIS 82 -17.633 -13.320 23.314 650 H1 MET 1 1H MET 1 -10.902 -31.038 -11.809 651 H2 MET 1 2H MET 1 -10.583 -30.291 -10.321 652 H3 MET 1 3H MET 1 -11.461 -29.465 -11.513 653 HA MET 1 HA MET 1 -13.266 -31.007 -11.343 654 HB2 MET 1 2HB MET 1 -11.505 -32.316 -9.266 655 HB3 MET 1 3HB MET 1 -13.221 -32.655 -9.433 656 HG2 MET 1 2HG MET 1 -12.831 -33.444 -11.718 657 HG3 MET 1 3HG MET 1 -11.108 -33.125 -11.522 658 HE1 MET 1 3HE MET 1 -10.605 -35.645 -12.273 659 HE2 MET 1 1HE MET 1 -12.340 -35.914 -12.453 660 HE3 MET 1 2HE MET 1 -11.362 -37.048 -11.520 661 H LYS 2 H LYS 2 -13.779 -28.770 -10.852 662 HA LYS 2 HA LYS 2 -14.649 -28.540 -8.070 663 HB2 LYS 2 2HB LYS 2 -13.133 -26.414 -9.595 664 HB3 LYS 2 3HB LYS 2 -14.085 -26.067 -8.158 665 HG2 LYS 2 2HG LYS 2 -11.741 -27.953 -8.282 666 HG3 LYS 2 3HG LYS 2 -11.697 -26.298 -7.669 667 HD2 LYS 2 2HD LYS 2 -13.229 -26.862 -5.896 668 HD3 LYS 2 3HD LYS 2 -13.455 -28.482 -6.556 669 HE2 LYS 2 2HE LYS 2 -11.939 -28.531 -4.654 670 HE3 LYS 2 3HE LYS 2 -11.097 -28.985 -6.135 671 HZ1 LYS 2 3HZ LYS 2 -9.755 -27.485 -4.829 672 HZ2 LYS 2 1HZ LYS 2 -10.996 -26.328 -4.803 673 HZ3 LYS 2 2HZ LYS 2 -10.228 -26.718 -6.260 674 H LYS 3 H LYS 3 -16.528 -27.244 -7.813 675 HA LYS 3 HA LYS 3 -18.204 -27.351 -10.168 676 HB2 LYS 3 2HB LYS 3 -19.013 -28.107 -7.943 677 HB3 LYS 3 3HB LYS 3 -18.885 -26.453 -7.361 678 HG2 LYS 3 2HG LYS 3 -21.185 -27.046 -7.936 679 HG3 LYS 3 3HG LYS 3 -20.572 -25.737 -8.947 680 HD2 LYS 3 2HD LYS 3 -20.133 -27.316 -10.752 681 HD3 LYS 3 3HD LYS 3 -20.695 -28.646 -9.742 682 HE2 LYS 3 2HE LYS 3 -22.392 -26.288 -10.537 683 HE3 LYS 3 3HE LYS 3 -22.370 -27.824 -11.400 684 HZ1 LYS 3 3HZ LYS 3 -23.012 -28.876 -9.231 685 HZ2 LYS 3 1HZ LYS 3 -24.196 -27.883 -9.929 686 HZ3 LYS 3 2HZ LYS 3 -23.283 -27.319 -8.622 687 H MET 4 H MET 4 -17.903 -25.778 -11.572 688 HA MET 4 HA MET 4 -17.837 -23.741 -12.541 689 HB2 MET 4 2HB MET 4 -20.014 -23.506 -11.360 690 HB3 MET 4 3HB MET 4 -19.169 -22.765 -10.010 691 HG2 MET 4 2HG MET 4 -18.481 -20.923 -11.405 692 HG3 MET 4 3HG MET 4 -19.219 -21.685 -12.812 693 HE1 MET 4 3HE MET 4 -21.620 -20.116 -9.194 694 HE2 MET 4 1HE MET 4 -19.863 -20.028 -9.322 695 HE3 MET 4 2HE MET 4 -20.656 -21.594 -9.147 696 H ALA 5 H ALA 5 -15.587 -23.660 -12.511 697 HA ALA 5 HA ALA 5 -14.218 -22.466 -10.259 698 HB1 ALA 5 3HB ALA 5 -13.200 -24.328 -11.501 699 HB2 ALA 5 1HB ALA 5 -12.178 -22.890 -11.495 700 HB3 ALA 5 2HB ALA 5 -13.109 -23.305 -12.934 701 H GLU 6 H GLU 6 -15.138 -20.410 -10.227 702 HA GLU 6 HA GLU 6 -13.827 -18.543 -12.038 703 HB2 GLU 6 2HB GLU 6 -16.109 -19.028 -12.969 704 HB3 GLU 6 3HB GLU 6 -16.796 -18.398 -11.480 705 HG2 GLU 6 2HG GLU 6 -15.875 -16.215 -11.927 706 HG3 GLU 6 3HG GLU 6 -15.051 -16.823 -13.363 707 H PHE 7 H PHE 7 -13.535 -16.470 -11.102 708 HA PHE 7 HA PHE 7 -13.641 -16.605 -8.184 709 HB2 PHE 7 2HB PHE 7 -12.002 -14.833 -10.004 710 HB3 PHE 7 3HB PHE 7 -11.937 -14.810 -8.245 711 HD1 PHE 7 HD2 PHE 7 -11.041 -16.747 -7.015 712 HD2 PHE 7 HD1 PHE 7 -10.879 -16.498 -11.259 713 HE1 PHE 7 HE2 PHE 7 -9.337 -18.520 -7.047 714 HE2 PHE 7 HE1 PHE 7 -9.179 -18.275 -11.300 715 HZ PHE 7 HZ PHE 7 -8.405 -19.289 -9.195 716 H THR 8 H THR 8 -14.871 -15.352 -7.021 717 HA THR 8 HA THR 8 -16.192 -13.045 -8.287 718 HB THR 8 HB THR 8 -17.919 -13.364 -6.447 719 HG1 THR 8 HG1 THR 8 -16.439 -15.785 -6.169 720 HG21 THR 8 3HG2 THR 8 -18.355 -14.010 -8.764 721 HG22 THR 8 1HG2 THR 8 -19.099 -15.150 -7.643 722 HG23 THR 8 2HG2 THR 8 -17.606 -15.581 -8.475 723 H PHE 9 H PHE 9 -15.585 -11.128 -7.541 724 HA PHE 9 HA PHE 9 -14.261 -11.019 -4.922 725 HB2 PHE 9 2HB PHE 9 -13.088 -9.015 -5.750 726 HB3 PHE 9 3HB PHE 9 -12.763 -10.425 -6.749 727 HD1 PHE 9 HD2 PHE 9 -13.842 -10.621 -8.982 728 HD2 PHE 9 HD1 PHE 9 -14.101 -7.076 -6.641 729 HE1 PHE 9 HE2 PHE 9 -14.504 -9.352 -10.981 730 HE2 PHE 9 HE1 PHE 9 -14.765 -5.801 -8.637 731 HZ PHE 9 HZ PHE 9 -14.968 -6.937 -10.810 732 H GLU 10 H GLU 10 -14.929 -9.600 -3.403 733 HA GLU 10 HA GLU 10 -16.840 -7.520 -4.073 734 HB2 GLU 10 2HB GLU 10 -17.667 -10.034 -2.976 735 HB3 GLU 10 3HB GLU 10 -17.915 -8.779 -1.768 736 HG2 GLU 10 2HG GLU 10 -18.964 -8.733 -4.590 737 HG3 GLU 10 3HG GLU 10 -19.896 -9.128 -3.145 738 H ILE 11 H ILE 11 -16.999 -5.895 -2.499 739 HA ILE 11 HA ILE 11 -14.666 -5.650 -0.828 740 HB ILE 11 HB ILE 11 -17.046 -3.802 -1.102 741 HG12 ILE 11 2HG1 ILE 11 -14.300 -3.671 -2.373 742 HG13 ILE 11 3HG1 ILE 11 -15.781 -4.137 -3.204 743 HG21 ILE 11 1HG2 ILE 11 -14.339 -3.334 0.147 744 HG22 ILE 11 2HG2 ILE 11 -15.878 -3.446 1.001 745 HG23 ILE 11 3HG2 ILE 11 -15.577 -2.102 -0.101 746 HD11 ILE 11 3HD1 ILE 11 -15.201 -1.853 -3.718 747 HD12 ILE 11 1HD1 ILE 11 -15.183 -1.445 -2.002 748 HD13 ILE 11 2HD1 ILE 11 -16.695 -1.901 -2.785 749 H GLU 12 H GLU 12 -14.605 -6.755 1.000 750 HA GLU 12 HA GLU 12 -16.950 -7.571 2.425 751 HB2 GLU 12 2HB GLU 12 -14.272 -8.373 2.232 752 HB3 GLU 12 3HB GLU 12 -14.470 -7.844 3.895 753 HG2 GLU 12 2HG GLU 12 -16.286 -9.817 2.551 754 HG3 GLU 12 3HG GLU 12 -14.856 -10.269 3.473 755 H GLU 13 H GLU 13 -14.141 -5.581 3.327 756 HA GLU 13 HA GLU 13 -15.852 -4.090 5.189 757 HB2 GLU 13 2HB GLU 13 -14.729 -5.828 6.488 758 HB3 GLU 13 3HB GLU 13 -13.170 -5.324 5.852 759 HG2 GLU 13 2HG GLU 13 -13.415 -3.167 6.981 760 HG3 GLU 13 3HG GLU 13 -14.971 -3.689 7.627 761 H HIS 14 H HIS 14 -15.527 -1.961 5.146 762 HA HIS 14 HA HIS 14 -13.526 -0.906 3.312 763 HB2 HIS 14 2HB HIS 14 -16.084 -0.219 3.704 764 HB3 HIS 14 3HB HIS 14 -15.348 0.866 4.875 765 HD1 HIS 14 HD1 HIS 14 -15.051 3.115 3.890 766 HD2 HIS 14 HD2 HIS 14 -14.538 0.106 1.071 767 HE1 HIS 14 HE1 HIS 14 -14.548 4.293 1.730 768 HE2 HIS 14 HE2 HIS 14 -14.017 2.446 0.093 769 H LEU 15 H LEU 15 -11.562 -0.318 4.043 770 HA LEU 15 HA LEU 15 -11.203 0.061 6.916 771 HB2 LEU 15 2HB LEU 15 -9.185 -0.243 4.692 772 HB3 LEU 15 3HB LEU 15 -8.779 -0.053 6.387 773 HG LEU 15 HG LEU 15 -10.426 -2.357 5.347 774 HD11 LEU 15 1HD1 LEU 15 -8.383 -3.679 5.458 775 HD12 LEU 15 2HD1 LEU 15 -7.458 -2.233 5.863 776 HD13 LEU 15 3HD1 LEU 15 -8.226 -2.375 4.282 777 HD21 LEU 15 3HD2 LEU 15 -10.648 -1.879 7.734 778 HD22 LEU 15 1HD2 LEU 15 -8.893 -1.920 7.910 779 HD23 LEU 15 2HD2 LEU 15 -9.771 -3.386 7.469 780 H LEU 16 H LEU 16 -9.717 1.600 4.063 781 HA LEU 16 HA LEU 16 -10.051 4.209 5.384 782 HB2 LEU 16 2HB LEU 16 -7.521 3.140 4.132 783 HB3 LEU 16 3HB LEU 16 -7.756 4.809 4.608 784 HG LEU 16 HG LEU 16 -7.670 2.416 6.442 785 HD11 LEU 16 1HD1 LEU 16 -5.659 3.505 7.304 786 HD12 LEU 16 2HD1 LEU 16 -5.831 4.780 6.096 787 HD13 LEU 16 3HD1 LEU 16 -5.498 3.123 5.588 788 HD21 LEU 16 3HD2 LEU 16 -8.066 5.330 7.094 789 HD22 LEU 16 1HD2 LEU 16 -7.897 4.015 8.254 790 HD23 LEU 16 2HD2 LEU 16 -9.305 4.081 7.194 791 H THR 17 H THR 17 -10.640 5.827 4.074 792 HA THR 17 HA THR 17 -10.506 5.372 1.173 793 HB THR 17 HB THR 17 -12.048 7.554 2.589 794 HG1 THR 17 HG1 THR 17 -12.789 5.424 3.205 795 HG21 THR 17 3HG2 THR 17 -13.320 7.617 0.481 796 HG22 THR 17 1HG2 THR 17 -12.272 6.362 -0.182 797 HG23 THR 17 2HG2 THR 17 -11.609 7.948 0.216 798 H LEU 18 H LEU 18 -8.528 6.064 0.527 799 HA LEU 18 HA LEU 18 -7.061 8.036 1.950 800 HB2 LEU 18 2HB LEU 18 -6.560 6.858 -0.783 801 HB3 LEU 18 3HB LEU 18 -5.414 7.822 0.127 802 HG LEU 18 HG LEU 18 -6.466 5.102 0.913 803 HD11 LEU 18 1HD1 LEU 18 -4.871 5.058 -0.936 804 HD12 LEU 18 2HD1 LEU 18 -4.177 4.370 0.532 805 HD13 LEU 18 3HD1 LEU 18 -3.730 5.997 0.026 806 HD21 LEU 18 3HD2 LEU 18 -4.868 5.229 2.756 807 HD22 LEU 18 1HD2 LEU 18 -6.079 6.504 2.875 808 HD23 LEU 18 2HD2 LEU 18 -4.458 6.880 2.293 809 H SER 19 H SER 19 -8.069 8.097 -1.476 810 HA SER 19 HA SER 19 -9.207 10.684 -1.336 811 HB2 SER 19 2HB SER 19 -6.734 11.190 -1.007 812 HB3 SER 19 3HB SER 19 -6.479 10.606 -2.650 813 HG SER 19 HG SER 19 -6.839 12.975 -2.246 814 H GLU 20 H GLU 20 -10.007 11.378 -3.400 815 HA GLU 20 HA GLU 20 -9.832 9.318 -5.487 816 HB2 GLU 20 2HB GLU 20 -12.116 9.901 -4.633 817 HB3 GLU 20 3HB GLU 20 -11.880 11.532 -5.247 818 HG2 GLU 20 2HG GLU 20 -11.816 10.773 -7.491 819 HG3 GLU 20 3HG GLU 20 -11.710 9.089 -6.985 820 H ASN 21 H ASN 21 -8.703 9.768 -7.254 821 HA ASN 21 HA ASN 21 -7.637 12.513 -7.456 822 HB2 ASN 21 2HB ASN 21 -6.139 10.102 -8.436 823 HB3 ASN 21 3HB ASN 21 -5.512 11.666 -7.933 824 HD21 ASN 21 1HD2 ASN 21 -5.188 12.077 -5.747 825 HD22 ASN 21 2HD2 ASN 21 -5.195 10.805 -4.563 826 H GLU 22 H GLU 22 -6.645 12.949 -9.604 827 HA GLU 22 HA GLU 22 -6.812 13.315 -11.814 828 HB2 GLU 22 2HB GLU 22 -7.450 10.365 -11.933 829 HB3 GLU 22 3HB GLU 22 -6.814 11.352 -13.244 830 HG2 GLU 22 2HG GLU 22 -5.440 10.541 -10.701 831 HG3 GLU 22 3HG GLU 22 -5.013 10.105 -12.354 832 H LYS 23 H LYS 23 -8.960 10.877 -12.751 833 HA LYS 23 HA LYS 23 -11.271 12.667 -12.573 834 HB2 LYS 23 2HB LYS 23 -10.373 11.248 -15.093 835 HB3 LYS 23 3HB LYS 23 -11.866 12.158 -14.915 836 HG2 LYS 23 2HG LYS 23 -10.564 14.196 -14.511 837 HG3 LYS 23 3HG LYS 23 -9.075 13.273 -14.719 838 HD2 LYS 23 2HD LYS 23 -9.720 12.739 -17.011 839 HD3 LYS 23 3HD LYS 23 -11.227 13.636 -16.805 840 HE2 LYS 23 2HE LYS 23 -8.434 14.765 -16.654 841 HE3 LYS 23 3HE LYS 23 -9.573 14.982 -17.980 842 HZ1 LYS 23 3HZ LYS 23 -9.580 16.916 -16.576 843 HZ2 LYS 23 1HZ LYS 23 -9.891 15.980 -15.198 844 HZ3 LYS 23 2HZ LYS 23 -11.068 16.118 -16.409 845 H GLY 24 H GLY 24 -12.104 11.311 -10.969 846 HA2 GLY 24 2HA GLY 24 -13.707 9.732 -10.411 847 HA3 GLY 24 3HA GLY 24 -13.572 9.065 -12.029 848 H TRP 25 H TRP 25 -10.535 9.387 -10.651 849 HA TRP 25 HA TRP 25 -10.329 6.514 -10.314 850 HB2 TRP 25 2HB TRP 25 -8.350 8.781 -10.337 851 HB3 TRP 25 3HB TRP 25 -7.882 7.187 -9.768 852 HD1 TRP 25 HD1 TRP 25 -9.809 8.347 -12.957 853 HE1 TRP 25 HE1 TRP 25 -8.694 7.205 -14.981 854 HE3 TRP 25 HE3 TRP 25 -6.113 5.799 -10.505 855 HZ2 TRP 25 HZ2 TRP 25 -6.519 5.452 -15.459 856 HZ3 TRP 25 HZ3 TRP 25 -4.556 4.418 -11.817 857 HH2 TRP 25 HH2 TRP 25 -4.760 4.250 -14.245 858 H THR 26 H THR 26 -11.309 5.916 -8.389 859 HA THR 26 HA THR 26 -10.694 7.491 -6.004 860 HB THR 26 HB THR 26 -12.188 4.876 -5.973 861 HG1 THR 26 HG1 THR 26 -13.371 7.429 -6.508 862 HG21 THR 26 3HG2 THR 26 -11.644 5.879 -3.829 863 HG22 THR 26 1HG2 THR 26 -13.382 5.969 -4.116 864 HG23 THR 26 2HG2 THR 26 -12.377 7.403 -4.331 865 H LYS 27 H LYS 27 -9.212 6.857 -4.438 866 HA LYS 27 HA LYS 27 -8.080 4.167 -4.777 867 HB2 LYS 27 2HB LYS 27 -6.539 5.889 -5.711 868 HB3 LYS 27 3HB LYS 27 -6.459 6.631 -4.118 869 HG2 LYS 27 2HG LYS 27 -5.349 4.769 -3.195 870 HG3 LYS 27 3HG LYS 27 -5.710 3.763 -4.597 871 HD2 LYS 27 2HD LYS 27 -3.391 4.420 -4.661 872 HD3 LYS 27 3HD LYS 27 -4.257 5.223 -5.970 873 HE2 LYS 27 2HE LYS 27 -3.916 6.611 -3.350 874 HE3 LYS 27 3HE LYS 27 -2.565 6.547 -4.479 875 HZ1 LYS 27 3HZ LYS 27 -4.204 8.519 -4.550 876 HZ2 LYS 27 1HZ LYS 27 -5.211 7.461 -5.402 877 HZ3 LYS 27 2HZ LYS 27 -3.675 7.838 -6.007 878 H GLU 28 H GLU 28 -8.224 2.996 -3.025 879 HA GLU 28 HA GLU 28 -8.179 4.254 -0.409 880 HB2 GLU 28 2HB GLU 28 -10.309 3.189 0.252 881 HB3 GLU 28 3HB GLU 28 -10.521 4.402 -1.003 882 HG2 GLU 28 2HG GLU 28 -11.010 2.838 -2.624 883 HG3 GLU 28 3HG GLU 28 -10.201 1.533 -1.755 884 H ILE 29 H ILE 29 -8.882 2.348 1.198 885 HA ILE 29 HA ILE 29 -7.371 -0.076 0.482 886 HB ILE 29 HB ILE 29 -7.225 1.378 3.147 887 HG12 ILE 29 2HG1 ILE 29 -5.083 1.073 1.025 888 HG13 ILE 29 3HG1 ILE 29 -6.018 2.540 1.291 889 HG21 ILE 29 1HG2 ILE 29 -5.461 -0.269 3.660 890 HG22 ILE 29 2HG2 ILE 29 -5.789 -1.078 2.126 891 HG23 ILE 29 3HG2 ILE 29 -7.027 -1.031 3.380 892 HD11 ILE 29 3HD1 ILE 29 -5.088 2.736 3.528 893 HD12 ILE 29 1HD1 ILE 29 -3.816 2.679 2.307 894 HD13 ILE 29 2HD1 ILE 29 -4.167 1.251 3.281 895 H ASN 30 H ASN 30 -8.734 -1.772 0.668 896 HA ASN 30 HA ASN 30 -10.404 -1.963 3.041 897 HB2 ASN 30 2HB ASN 30 -12.451 -2.464 1.862 898 HB3 ASN 30 3HB ASN 30 -11.866 -0.897 1.319 899 HD21 ASN 30 1HD2 ASN 30 -11.351 -0.606 -0.795 900 HD22 ASN 30 2HD2 ASN 30 -11.533 -1.833 -2.004 901 H ARG 31 H ARG 31 -11.654 -4.218 2.831 902 HA ARG 31 HA ARG 31 -9.610 -6.152 1.976 903 HB2 ARG 31 2HB ARG 31 -11.754 -6.370 4.088 904 HB3 ARG 31 3HB ARG 31 -10.802 -7.741 3.534 905 HG2 ARG 31 2HG ARG 31 -8.752 -6.421 4.198 906 HG3 ARG 31 3HG ARG 31 -9.854 -5.299 5.000 907 HD2 ARG 31 2HD ARG 31 -9.707 -8.258 5.559 908 HD3 ARG 31 3HD ARG 31 -8.906 -7.017 6.519 909 HE ARG 31 HE ARG 31 -11.160 -6.155 7.047 910 HH11 ARG 31 1HH1 ARG 31 -10.844 -9.457 5.900 911 HH12 ARG 31 2HH1 ARG 31 -12.300 -9.999 6.684 912 HH21 ARG 31 1HH2 ARG 31 -13.032 -6.875 8.101 913 HH22 ARG 31 2HH2 ARG 31 -13.554 -8.525 7.919 914 H VAL 32 H VAL 32 -10.030 -7.316 0.240 915 HA VAL 32 HA VAL 32 -12.824 -7.533 -0.665 916 HB VAL 32 HB VAL 32 -10.303 -7.943 -2.294 917 HG11 VAL 32 1HG1 VAL 32 -12.215 -9.170 -3.165 918 HG12 VAL 32 2HG1 VAL 32 -11.810 -7.818 -4.226 919 HG13 VAL 32 3HG1 VAL 32 -13.190 -7.700 -3.133 920 HG21 VAL 32 3HG2 VAL 32 -10.505 -5.617 -1.571 921 HG22 VAL 32 1HG2 VAL 32 -12.145 -5.557 -2.216 922 HG23 VAL 32 2HG2 VAL 32 -10.777 -5.777 -3.307 923 H SER 33 H SER 33 -13.779 -9.462 -0.795 924 HA SER 33 HA SER 33 -12.217 -11.826 -0.070 925 HB2 SER 33 2HB SER 33 -14.547 -12.857 0.140 926 HB3 SER 33 3HB SER 33 -14.150 -11.580 1.290 927 HG SER 33 HG SER 33 -15.671 -11.302 -1.095 928 H PHE 34 H PHE 34 -11.845 -13.468 -1.442 929 HA PHE 34 HA PHE 34 -13.085 -13.353 -4.116 930 HB2 PHE 34 2HB PHE 34 -10.305 -14.338 -3.417 931 HB3 PHE 34 3HB PHE 34 -11.009 -14.291 -5.027 932 HD1 PHE 34 HD1 PHE 34 -11.250 -12.183 -6.217 933 HD2 PHE 34 HD2 PHE 34 -9.472 -12.352 -2.353 934 HE1 PHE 34 HE1 PHE 34 -10.319 -9.929 -6.550 935 HE2 PHE 34 HE2 PHE 34 -8.540 -10.099 -2.678 936 HZ PHE 34 HZ PHE 34 -8.964 -8.885 -4.778 937 H ASN 35 H ASN 35 -14.675 -14.871 -3.865 938 HA ASN 35 HA ASN 35 -15.673 -16.901 -3.698 939 HB2 ASN 35 2HB ASN 35 -12.847 -17.735 -4.288 940 HB3 ASN 35 3HB ASN 35 -14.091 -18.940 -3.975 941 HD21 ASN 35 1HD2 ASN 35 -13.689 -19.651 -6.142 942 HD22 ASN 35 2HD2 ASN 35 -14.428 -18.825 -7.473 943 H GLY 36 H GLY 36 -16.412 -16.720 -1.635 944 HA2 GLY 36 2HA GLY 36 -16.643 -17.925 0.424 945 HA3 GLY 36 3HA GLY 36 -14.910 -18.237 0.393 946 H ALA 37 H ALA 37 -14.332 -17.335 2.350 947 HA ALA 37 HA ALA 37 -14.715 -14.417 2.494 948 HB1 ALA 37 3HB ALA 37 -14.900 -14.551 4.902 949 HB2 ALA 37 1HB ALA 37 -14.691 -16.301 4.845 950 HB3 ALA 37 2HB ALA 37 -16.126 -15.560 4.137 951 HA PRO 38 HA PRO 38 -10.188 -15.176 3.194 952 HB2 PRO 38 2HB PRO 38 -9.212 -15.247 0.614 953 HB3 PRO 38 3HB PRO 38 -9.599 -16.680 1.568 954 HG2 PRO 38 2HG PRO 38 -10.905 -15.729 -0.795 955 HG3 PRO 38 3HG PRO 38 -11.305 -17.156 0.173 956 HD2 PRO 38 2HD PRO 38 -12.529 -14.457 0.202 957 HD3 PRO 38 3HD PRO 38 -13.231 -16.025 0.655 958 H ALA 39 H ALA 39 -11.557 -12.881 3.397 959 HA ALA 39 HA ALA 39 -10.985 -10.928 1.404 960 HB1 ALA 39 3HB ALA 39 -12.004 -9.347 2.932 961 HB2 ALA 39 1HB ALA 39 -11.921 -10.528 4.241 962 HB3 ALA 39 2HB ALA 39 -12.966 -10.823 2.852 963 H LYS 40 H LYS 40 -8.938 -10.385 1.033 964 HA LYS 40 HA LYS 40 -7.166 -9.902 3.325 965 HB2 LYS 40 2HB LYS 40 -6.588 -10.404 0.406 966 HB3 LYS 40 3HB LYS 40 -5.360 -9.843 1.533 967 HG2 LYS 40 2HG LYS 40 -6.916 -12.413 1.741 968 HG3 LYS 40 3HG LYS 40 -5.231 -12.248 1.236 969 HD2 LYS 40 2HD LYS 40 -4.651 -11.355 3.430 970 HD3 LYS 40 3HD LYS 40 -6.336 -11.473 3.938 971 HE2 LYS 40 2HE LYS 40 -5.142 -13.352 4.823 972 HE3 LYS 40 3HE LYS 40 -6.225 -13.921 3.554 973 HZ1 LYS 40 3HZ LYS 40 -4.317 -13.926 2.023 974 HZ2 LYS 40 1HZ LYS 40 -4.084 -14.966 3.346 975 HZ3 LYS 40 2HZ LYS 40 -3.298 -13.467 3.298 976 H PHE 41 H PHE 41 -5.490 -8.090 2.780 977 HA PHE 41 HA PHE 41 -7.120 -5.706 2.590 978 HB2 PHE 41 2HB PHE 41 -4.160 -5.960 3.166 979 HB3 PHE 41 3HB PHE 41 -5.165 -4.541 3.439 980 HD1 PHE 41 HD1 PHE 41 -4.274 -7.870 4.638 981 HD2 PHE 41 HD2 PHE 41 -6.687 -4.438 5.315 982 HE1 PHE 41 HE1 PHE 41 -4.753 -8.663 6.917 983 HE2 PHE 41 HE2 PHE 41 -7.170 -5.218 7.594 984 HZ PHE 41 HZ PHE 41 -6.204 -7.335 8.399 985 H ASP 42 H ASP 42 -7.410 -4.683 0.734 986 HA ASP 42 HA ASP 42 -5.363 -4.997 -1.359 987 HB2 ASP 42 2HB ASP 42 -7.594 -6.111 -1.765 988 HB3 ASP 42 3HB ASP 42 -8.313 -4.504 -1.794 989 H ILE 43 H ILE 43 -4.268 -3.192 -1.679 990 HA ILE 43 HA ILE 43 -5.590 -0.599 -1.224 991 HB ILE 43 HB ILE 43 -2.637 -1.139 -1.629 992 HG12 ILE 43 2HG1 ILE 43 -4.163 -0.673 0.944 993 HG13 ILE 43 3HG1 ILE 43 -3.455 -2.203 0.436 994 HG21 ILE 43 1HG2 ILE 43 -2.357 1.135 -0.736 995 HG22 ILE 43 2HG2 ILE 43 -4.111 1.314 -0.667 996 HG23 ILE 43 3HG2 ILE 43 -3.304 1.121 -2.223 997 HD11 ILE 43 3HD1 ILE 43 -1.233 -1.222 0.559 998 HD12 ILE 43 1HD1 ILE 43 -2.081 -1.080 2.098 999 HD13 ILE 43 2HD1 ILE 43 -1.934 0.323 1.041 1000 H ARG 44 H ARG 44 -6.540 0.092 -3.074 1001 HA ARG 44 HA ARG 44 -5.044 -0.119 -5.565 1002 HB2 ARG 44 2HB ARG 44 -6.097 -2.255 -5.540 1003 HB3 ARG 44 3HB ARG 44 -7.636 -1.567 -5.046 1004 HG2 ARG 44 2HG ARG 44 -7.922 -0.536 -7.208 1005 HG3 ARG 44 3HG ARG 44 -6.318 -1.077 -7.709 1006 HD2 ARG 44 2HD ARG 44 -8.251 -3.127 -6.766 1007 HD3 ARG 44 3HD ARG 44 -8.528 -2.404 -8.350 1008 HE ARG 44 HE ARG 44 -6.370 -3.244 -9.033 1009 HH11 ARG 44 1HH1 ARG 44 -7.492 -4.431 -5.946 1010 HH12 ARG 44 2HH1 ARG 44 -6.606 -5.914 -6.056 1011 HH21 ARG 44 1HH2 ARG 44 -5.197 -5.212 -9.189 1012 HH22 ARG 44 2HH2 ARG 44 -5.334 -6.382 -7.904 1013 H ALA 45 H ALA 45 -5.648 1.263 -7.150 1014 HA ALA 45 HA ALA 45 -7.705 3.231 -6.566 1015 HB1 ALA 45 3HB ALA 45 -5.824 3.022 -8.921 1016 HB2 ALA 45 1HB ALA 45 -5.549 3.995 -7.476 1017 HB3 ALA 45 2HB ALA 45 -6.891 4.379 -8.558 1018 H TRP 46 H TRP 46 -9.643 3.260 -7.563 1019 HA TRP 46 HA TRP 46 -10.249 0.955 -9.275 1020 HB2 TRP 46 2HB TRP 46 -12.089 2.569 -7.490 1021 HB3 TRP 46 3HB TRP 46 -12.566 1.181 -8.464 1022 HD1 TRP 46 HD1 TRP 46 -10.760 2.096 -5.235 1023 HE1 TRP 46 HE1 TRP 46 -10.375 -0.041 -3.853 1024 HE3 TRP 46 HE3 TRP 46 -12.219 -1.379 -8.692 1025 HZ2 TRP 46 HZ2 TRP 46 -10.658 -2.835 -4.184 1026 HZ3 TRP 46 HZ3 TRP 46 -12.132 -3.760 -8.080 1027 HH2 TRP 46 HH2 TRP 46 -11.368 -4.472 -5.873 1028 H SER 47 H SER 47 -11.075 1.227 -11.199 1029 HA SER 47 HA SER 47 -10.743 3.636 -12.567 1030 HB2 SER 47 2HB SER 47 -12.424 1.283 -13.439 1031 HB3 SER 47 3HB SER 47 -11.603 2.452 -14.472 1032 HG SER 47 HG SER 47 -10.081 1.006 -14.460 1033 HA PRO 48 HA PRO 48 -14.692 5.647 -12.084 1034 HB2 PRO 48 2HB PRO 48 -14.714 7.090 -14.376 1035 HB3 PRO 48 3HB PRO 48 -13.683 7.509 -13.002 1036 HG2 PRO 48 2HG PRO 48 -12.985 6.014 -15.505 1037 HG3 PRO 48 3HG PRO 48 -12.086 7.307 -14.686 1038 HD2 PRO 48 2HD PRO 48 -11.444 4.699 -14.400 1039 HD3 PRO 48 3HD PRO 48 -11.239 5.876 -13.087 1040 H ASP 49 H ASP 49 -16.468 6.304 -13.984 1041 HA ASP 49 HA ASP 49 -17.668 3.768 -14.589 1042 HB2 ASP 49 2HB ASP 49 -19.594 5.013 -15.229 1043 HB3 ASP 49 3HB ASP 49 -18.896 5.869 -13.857 1044 H HIS 50 H HIS 50 -15.294 5.353 -16.207 1045 HA HIS 50 HA HIS 50 -16.487 4.875 -18.848 1046 HB2 HIS 50 2HB HIS 50 -15.532 7.200 -18.058 1047 HB3 HIS 50 3HB HIS 50 -13.990 6.483 -18.516 1048 HD1 HIS 50 HD1 HIS 50 -13.689 5.872 -21.063 1049 HD2 HIS 50 HD2 HIS 50 -17.142 7.999 -20.143 1050 HE1 HIS 50 HE1 HIS 50 -14.545 6.759 -23.258 1051 HE2 HIS 50 HE2 HIS 50 -16.717 7.916 -22.694 1052 H THR 51 H THR 51 -13.040 5.105 -17.955 1053 HA THR 51 HA THR 51 -12.630 2.338 -18.767 1054 HB THR 51 HB THR 51 -10.762 4.116 -20.164 1055 HG1 THR 51 HG1 THR 51 -12.780 4.179 -21.810 1056 HG21 THR 51 3HG2 THR 51 -10.872 1.692 -20.521 1057 HG22 THR 51 1HG2 THR 51 -11.212 2.573 -22.010 1058 HG23 THR 51 2HG2 THR 51 -12.532 1.850 -21.092 1059 H LYS 52 H LYS 52 -9.893 2.459 -19.163 1060 HA LYS 52 HA LYS 52 -7.859 2.523 -18.190 1061 HB2 LYS 52 2HB LYS 52 -9.073 4.576 -16.340 1062 HB3 LYS 52 3HB LYS 52 -7.372 4.133 -16.362 1063 HG2 LYS 52 2HG LYS 52 -7.337 4.854 -18.779 1064 HG3 LYS 52 3HG LYS 52 -8.948 5.526 -18.511 1065 HD2 LYS 52 2HD LYS 52 -8.017 6.883 -16.654 1066 HD3 LYS 52 3HD LYS 52 -6.411 6.277 -17.060 1067 HE2 LYS 52 2HE LYS 52 -6.619 8.411 -18.071 1068 HE3 LYS 52 3HE LYS 52 -6.755 7.219 -19.365 1069 HZ1 LYS 52 3HZ LYS 52 -9.072 8.503 -18.028 1070 HZ2 LYS 52 1HZ LYS 52 -9.118 7.492 -19.386 1071 HZ3 LYS 52 2HZ LYS 52 -8.410 9.033 -19.495 1072 H MET 53 H MET 53 -6.793 2.174 -15.884 1073 HA MET 53 HA MET 53 -8.474 0.693 -14.063 1074 HB2 MET 53 2HB MET 53 -7.194 -1.395 -14.233 1075 HB3 MET 53 3HB MET 53 -8.020 -1.022 -15.737 1076 HG2 MET 53 2HG MET 53 -5.134 -0.341 -15.277 1077 HG3 MET 53 3HG MET 53 -5.653 -1.904 -15.903 1078 HE1 MET 53 3HE MET 53 -3.613 0.170 -17.358 1079 HE2 MET 53 1HE MET 53 -4.152 -0.003 -19.030 1080 HE3 MET 53 2HE MET 53 -4.012 -1.425 -17.997 1081 H GLY 54 H GLY 54 -7.467 0.285 -12.059 1082 HA2 GLY 54 2HA GLY 54 -5.220 2.064 -11.533 1083 HA3 GLY 54 3HA GLY 54 -6.248 1.299 -10.331 1084 H LYS 55 H LYS 55 -3.426 1.436 -10.236 1085 HA LYS 55 HA LYS 55 -2.405 -1.183 -11.057 1086 HB2 LYS 55 2HB LYS 55 -0.982 1.129 -9.717 1087 HB3 LYS 55 3HB LYS 55 -0.228 -0.265 -10.477 1088 HG2 LYS 55 2HG LYS 55 -1.981 1.592 -12.039 1089 HG3 LYS 55 3HG LYS 55 -0.279 1.953 -11.754 1090 HD2 LYS 55 2HD LYS 55 -1.276 -0.603 -13.000 1091 HD3 LYS 55 3HD LYS 55 -0.750 0.807 -13.925 1092 HE2 LYS 55 2HE LYS 55 1.439 0.641 -12.651 1093 HE3 LYS 55 3HE LYS 55 0.884 -0.937 -12.093 1094 HZ1 LYS 55 3HZ LYS 55 0.736 -1.674 -14.375 1095 HZ2 LYS 55 1HZ LYS 55 2.300 -1.096 -14.062 1096 HZ3 LYS 55 2HZ LYS 55 1.204 -0.143 -14.938 1097 H GLY 56 H GLY 56 -4.345 -1.005 -8.891 1098 HA2 GLY 56 2HA GLY 56 -3.271 -0.835 -6.330 1099 HA3 GLY 56 3HA GLY 56 -4.737 -1.700 -6.747 1100 H ILE 57 H ILE 57 -2.670 -2.302 -4.780 1101 HA ILE 57 HA ILE 57 -1.764 -4.904 -5.816 1102 HB ILE 57 HB ILE 57 0.109 -3.277 -5.551 1103 HG12 ILE 57 2HG1 ILE 57 0.254 -5.578 -3.596 1104 HG13 ILE 57 3HG1 ILE 57 0.419 -5.746 -5.341 1105 HG21 ILE 57 1HG2 ILE 57 -0.716 -1.992 -3.676 1106 HG22 ILE 57 2HG2 ILE 57 0.851 -2.696 -3.271 1107 HG23 ILE 57 3HG2 ILE 57 -0.629 -3.410 -2.631 1108 HD11 ILE 57 3HD1 ILE 57 2.409 -4.352 -5.301 1109 HD12 ILE 57 1HD1 ILE 57 2.580 -5.730 -4.210 1110 HD13 ILE 57 2HD1 ILE 57 2.228 -4.128 -3.560 1111 H THR 58 H THR 58 -1.995 -6.656 -4.474 1112 HA THR 58 HA THR 58 -3.771 -6.235 -2.186 1113 HB THR 58 HB THR 58 -3.136 -8.868 -3.524 1114 HG1 THR 58 HG1 THR 58 -5.204 -6.977 -4.146 1115 HG21 THR 58 3HG2 THR 58 -5.527 -7.927 -1.930 1116 HG22 THR 58 1HG2 THR 58 -4.245 -8.978 -1.329 1117 HG23 THR 58 2HG2 THR 58 -5.307 -9.535 -2.622 1118 H LEU 59 H LEU 59 -3.215 -6.795 -0.140 1119 HA LEU 59 HA LEU 59 -0.584 -8.072 0.266 1120 HB2 LEU 59 2HB LEU 59 -1.831 -5.925 1.987 1121 HB3 LEU 59 3HB LEU 59 -0.258 -6.662 2.220 1122 HG LEU 59 HG LEU 59 -1.029 -4.925 -0.129 1123 HD11 LEU 59 1HD1 LEU 59 -0.916 -3.666 1.960 1124 HD12 LEU 59 2HD1 LEU 59 0.428 -3.256 0.894 1125 HD13 LEU 59 3HD1 LEU 59 0.689 -4.324 2.276 1126 HD21 LEU 59 3HD2 LEU 59 1.350 -4.964 -0.657 1127 HD22 LEU 59 1HD2 LEU 59 0.675 -6.592 -0.677 1128 HD23 LEU 59 2HD2 LEU 59 1.642 -6.056 0.696 1129 H SER 60 H SER 60 -0.474 -9.656 1.819 1130 HA SER 60 HA SER 60 -2.975 -10.570 2.973 1131 HB2 SER 60 2HB SER 60 -1.186 -12.127 2.083 1132 HB3 SER 60 3HB SER 60 -0.195 -11.666 3.467 1133 HG SER 60 HG SER 60 -1.339 -12.935 4.697 1134 H ASN 61 H ASN 61 -2.915 -11.159 5.398 1135 HA ASN 61 HA ASN 61 -2.817 -8.765 6.837 1136 HB2 ASN 61 2HB ASN 61 -4.225 -10.698 7.461 1137 HB3 ASN 61 3HB ASN 61 -2.781 -11.583 7.938 1138 HD21 ASN 61 1HD2 ASN 61 -3.384 -11.823 10.052 1139 HD22 ASN 61 2HD2 ASN 61 -3.454 -10.495 11.165 1140 H GLU 62 H GLU 62 -0.554 -11.476 6.754 1141 HA GLU 62 HA GLU 62 1.221 -10.622 8.726 1142 HB2 GLU 62 2HB GLU 62 1.977 -12.088 6.192 1143 HB3 GLU 62 3HB GLU 62 2.830 -12.118 7.728 1144 HG2 GLU 62 2HG GLU 62 1.740 -14.095 7.899 1145 HG3 GLU 62 3HG GLU 62 0.495 -13.048 8.577 1146 H GLU 63 H GLU 63 1.270 -10.012 5.240 1147 HA GLU 63 HA GLU 63 3.636 -8.450 5.232 1148 HB2 GLU 63 2HB GLU 63 1.392 -8.333 3.214 1149 HB3 GLU 63 3HB GLU 63 3.095 -7.990 2.943 1150 HG2 GLU 63 2HG GLU 63 3.668 -10.300 3.197 1151 HG3 GLU 63 3HG GLU 63 2.025 -10.699 3.698 1152 H PHE 64 H PHE 64 0.207 -7.711 5.383 1153 HA PHE 64 HA PHE 64 0.343 -4.921 5.097 1154 HB2 PHE 64 2HB PHE 64 -1.683 -6.527 5.003 1155 HB3 PHE 64 3HB PHE 64 -1.728 -6.352 6.751 1156 HD1 PHE 64 HD1 PHE 64 -1.701 -4.326 3.635 1157 HD2 PHE 64 HD2 PHE 64 -2.979 -4.653 7.681 1158 HE1 PHE 64 HE1 PHE 64 -3.067 -2.300 3.365 1159 HE2 PHE 64 HE2 PHE 64 -4.340 -2.627 7.419 1160 HZ PHE 64 HZ PHE 64 -4.391 -1.450 5.258 1161 H GLN 65 H GLN 65 0.194 -6.959 8.013 1162 HA GLN 65 HA GLN 65 0.317 -4.910 9.914 1163 HB2 GLN 65 2HB GLN 65 -0.258 -7.250 10.435 1164 HB3 GLN 65 3HB GLN 65 1.401 -7.728 10.112 1165 HG2 GLN 65 2HG GLN 65 1.134 -7.595 12.463 1166 HG3 GLN 65 3HG GLN 65 2.126 -6.228 11.961 1167 HE21 GLN 65 1HE2 GLN 65 -1.360 -6.425 11.574 1168 HE22 GLN 65 2HE2 GLN 65 -1.740 -5.174 12.701 1169 H THR 66 H THR 66 2.861 -6.574 8.145 1170 HA THR 66 HA THR 66 5.083 -5.750 9.606 1171 HB THR 66 HB THR 66 4.895 -6.238 6.624 1172 HG1 THR 66 HG1 THR 66 4.268 -8.081 7.771 1173 HG21 THR 66 3HG2 THR 66 7.287 -6.676 6.716 1174 HG22 THR 66 1HG2 THR 66 7.307 -6.324 8.443 1175 HG23 THR 66 2HG2 THR 66 6.952 -5.041 7.287 1176 H MET 67 H MET 67 3.622 -4.193 6.718 1177 HA MET 67 HA MET 67 5.428 -2.019 6.687 1178 HB2 MET 67 2HB MET 67 4.055 -1.027 5.046 1179 HB3 MET 67 3HB MET 67 3.860 -2.755 4.800 1180 HG2 MET 67 2HG MET 67 1.719 -2.752 5.790 1181 HG3 MET 67 3HG MET 67 1.937 -1.123 6.424 1182 HE1 MET 67 3HE MET 67 -0.168 -0.022 5.564 1183 HE2 MET 67 1HE MET 67 -0.741 -1.615 5.065 1184 HE3 MET 67 2HE MET 67 -0.837 -0.254 3.946 1185 H VAL 68 H VAL 68 2.388 -2.556 8.329 1186 HA VAL 68 HA VAL 68 1.845 0.127 8.986 1187 HB VAL 68 HB VAL 68 0.890 -2.475 10.157 1188 HG11 VAL 68 1HG1 VAL 68 -0.836 -1.191 11.342 1189 HG12 VAL 68 2HG1 VAL 68 -0.044 0.310 10.858 1190 HG13 VAL 68 3HG1 VAL 68 0.780 -0.814 11.937 1191 HG21 VAL 68 3HG2 VAL 68 0.167 -1.994 7.900 1192 HG22 VAL 68 1HG2 VAL 68 -0.386 -0.392 8.391 1193 HG23 VAL 68 2HG2 VAL 68 -1.191 -1.830 9.010 1194 H ASP 69 H ASP 69 3.450 -2.462 10.830 1195 HA ASP 69 HA ASP 69 3.862 -0.921 13.159 1196 HB2 ASP 69 2HB ASP 69 4.083 -3.363 13.160 1197 HB3 ASP 69 3HB ASP 69 5.494 -3.244 12.112 1198 H ALA 70 H ALA 70 5.830 -1.418 10.268 1199 HA ALA 70 HA ALA 70 8.108 -0.011 11.094 1200 HB1 ALA 70 3HB ALA 70 7.006 -0.271 8.300 1201 HB2 ALA 70 1HB ALA 70 8.055 -1.438 9.106 1202 HB3 ALA 70 2HB ALA 70 8.656 0.176 8.733 1203 H PHE 71 H PHE 71 5.318 1.143 9.178 1204 HA PHE 71 HA PHE 71 6.237 3.830 9.081 1205 HB2 PHE 71 2HB PHE 71 3.443 2.743 8.676 1206 HB3 PHE 71 3HB PHE 71 3.987 4.359 8.237 1207 HD1 PHE 71 HD2 PHE 71 6.665 3.700 7.106 1208 HD2 PHE 71 HD1 PHE 71 2.880 1.820 6.607 1209 HE1 PHE 71 HE2 PHE 71 7.384 2.837 4.916 1210 HE2 PHE 71 HE1 PHE 71 3.595 0.962 4.416 1211 HZ PHE 71 HZ PHE 71 5.842 1.471 3.569 1212 H LYS 72 H LYS 72 4.272 2.021 11.300 1213 HA LYS 72 HA LYS 72 3.072 3.999 12.823 1214 HB2 LYS 72 2HB LYS 72 2.655 1.603 13.096 1215 HB3 LYS 72 3HB LYS 72 4.283 1.371 13.704 1216 HG2 LYS 72 2HG LYS 72 3.685 2.845 15.629 1217 HG3 LYS 72 3HG LYS 72 2.020 2.830 15.040 1218 HD2 LYS 72 2HD LYS 72 3.637 0.393 15.792 1219 HD3 LYS 72 3HD LYS 72 2.401 1.149 16.798 1220 HE2 LYS 72 2HE LYS 72 1.783 0.194 14.023 1221 HE3 LYS 72 3HE LYS 72 1.759 -0.912 15.394 1222 HZ1 LYS 72 3HZ LYS 72 0.047 0.318 16.424 1223 HZ2 LYS 72 1HZ LYS 72 -0.427 0.109 14.811 1224 HZ3 LYS 72 2HZ LYS 72 0.184 1.600 15.323 1225 H GLY 73 H GLY 73 6.358 2.690 13.025 1226 HA2 GLY 73 2HA GLY 73 6.963 4.559 15.205 1227 HA3 GLY 73 3HA GLY 73 7.964 3.211 14.695 1228 H ASN 74 H ASN 74 7.322 4.410 11.828 1229 HA ASN 74 HA ASN 74 9.773 6.015 11.889 1230 HB2 ASN 74 2HB ASN 74 8.467 4.359 9.759 1231 HB3 ASN 74 3HB ASN 74 9.613 5.619 9.318 1232 HD21 ASN 74 1HD2 ASN 74 11.260 5.293 11.669 1233 HD22 ASN 74 2HD2 ASN 74 12.139 3.815 11.440 1234 H LEU 75 H LEU 75 6.844 6.060 9.823 1235 HA LEU 75 HA LEU 75 7.482 8.663 8.909 1236 HB2 LEU 75 2HB LEU 75 6.214 6.948 7.608 1237 HB3 LEU 75 3HB LEU 75 4.836 7.248 8.650 1238 HG LEU 75 HG LEU 75 4.794 9.602 7.895 1239 HD11 LEU 75 1HD1 LEU 75 7.135 9.875 7.330 1240 HD12 LEU 75 2HD1 LEU 75 6.119 10.251 5.937 1241 HD13 LEU 75 3HD1 LEU 75 6.975 8.711 6.015 1242 HD21 LEU 75 3HD2 LEU 75 4.653 7.494 5.748 1243 HD22 LEU 75 1HD2 LEU 75 4.034 9.137 5.576 1244 HD23 LEU 75 2HD2 LEU 75 3.343 8.056 6.784 1245 H GLU 76 H GLU 76 5.068 7.467 11.224 1246 HA GLU 76 HA GLU 76 4.179 10.165 11.776 1247 HB2 GLU 76 2HB GLU 76 2.779 7.959 11.909 1248 HB3 GLU 76 3HB GLU 76 3.514 7.793 13.497 1249 HG2 GLU 76 2HG GLU 76 1.943 10.204 12.614 1250 HG3 GLU 76 3HG GLU 76 1.257 8.842 13.492 1251 H HIS 77 H HIS 77 5.864 11.290 12.554 1252 HA HIS 77 HA HIS 77 7.260 10.226 14.931 1253 HB2 HIS 77 2HB HIS 77 8.454 10.598 12.573 1254 HB3 HIS 77 3HB HIS 77 8.543 12.257 13.154 1255 HD1 HIS 77 HD1 HIS 77 10.340 12.791 14.859 1256 HD2 HIS 77 HD2 HIS 77 9.894 8.713 14.172 1257 HE1 HIS 77 HE1 HIS 77 12.288 11.688 16.007 1258 HE2 HIS 77 HE2 HIS 77 12.097 9.249 15.411 1259 H HIS 78 H HIS 78 4.869 12.097 14.353 1260 HA HIS 78 HA HIS 78 5.729 14.638 15.424 1261 HB2 HIS 78 2HB HIS 78 3.935 14.689 13.834 1262 HB3 HIS 78 3HB HIS 78 3.023 13.482 14.729 1263 HD1 HIS 78 HD1 HIS 78 1.298 14.340 16.279 1264 HD2 HIS 78 HD2 HIS 78 4.080 17.265 15.269 1265 HE1 HIS 78 HE1 HIS 78 0.442 16.474 17.300 1266 HE2 HIS 78 HE2 HIS 78 2.029 18.260 16.505 1267 H HIS 79 H HIS 79 4.400 11.662 16.605 1268 HA HIS 79 HA HIS 79 3.827 12.788 19.226 1269 HB2 HIS 79 2HB HIS 79 2.888 10.551 17.784 1270 HB3 HIS 79 3HB HIS 79 3.742 9.912 19.184 1271 HD1 HIS 79 HD1 HIS 79 0.472 10.542 18.335 1272 HD2 HIS 79 HD2 HIS 79 2.798 11.811 21.547 1273 HE1 HIS 79 HE1 HIS 79 -1.153 11.159 20.158 1274 HE2 HIS 79 HE2 HIS 79 0.283 11.716 22.152 1275 H HIS 80 H HIS 80 4.610 10.849 20.976 1276 HA HIS 80 HA HIS 80 7.415 11.509 21.160 1277 HB2 HIS 80 2HB HIS 80 5.896 11.697 23.115 1278 HB3 HIS 80 3HB HIS 80 5.659 9.954 23.074 1279 HD1 HIS 80 HD1 HIS 80 8.259 12.558 23.867 1280 HD2 HIS 80 HD2 HIS 80 7.653 8.462 24.284 1281 HE1 HIS 80 HE1 HIS 80 10.096 11.747 25.385 1282 HE2 HIS 80 HE2 HIS 80 9.586 9.313 25.784 1283 H HIS 81 H HIS 81 8.391 10.262 19.558 1284 HA HIS 81 HA HIS 81 8.849 7.497 20.346 1285 HB2 HIS 81 2HB HIS 81 6.947 7.462 18.707 1286 HB3 HIS 81 3HB HIS 81 8.021 8.186 17.518 1287 HD1 HIS 81 HD1 HIS 81 10.326 6.622 17.130 1288 HD2 HIS 81 HD2 HIS 81 6.891 4.784 18.585 1289 HE1 HIS 81 HE1 HIS 81 10.626 4.169 16.674 1290 HE2 HIS 81 HE2 HIS 81 8.608 3.060 17.713 1291 H HIS 82 H HIS 82 11.001 7.766 20.713 1292 HA HIS 82 HA HIS 82 12.634 8.903 18.563 1293 HB2 HIS 82 2HB HIS 82 13.341 7.985 21.359 1294 HB3 HIS 82 3HB HIS 82 14.532 8.526 20.183 1295 HD1 HIS 82 HD1 HIS 82 14.248 10.015 22.824 1296 HD2 HIS 82 HD2 HIS 82 12.203 11.054 19.354 1297 HE1 HIS 82 HE1 HIS 82 13.657 12.451 23.085 1298 HE2 HIS 82 HE2 HIS 82 12.306 13.023 21.030 Start of MODEL 2 1 H1 MET 1 1H MET 1 14.747 19.086 -26.159 2 H2 MET 1 2H MET 1 13.702 19.962 -25.154 3 H3 MET 1 3H MET 1 13.302 19.711 -26.784 4 HA MET 1 HA MET 1 13.098 17.353 -26.421 5 HB2 MET 1 2HB MET 1 13.779 18.104 -23.573 6 HB3 MET 1 3HB MET 1 13.096 16.552 -24.034 7 HG2 MET 1 2HG MET 1 15.050 16.080 -25.399 8 HG3 MET 1 3HG MET 1 15.728 17.656 -24.991 9 HE1 MET 1 3HE MET 1 15.051 14.297 -21.888 10 HE2 MET 1 1HE MET 1 14.668 14.127 -23.602 11 HE3 MET 1 2HE MET 1 13.739 15.241 -22.597 12 H LYS 2 H LYS 2 11.054 16.594 -26.139 13 HA LYS 2 HA LYS 2 9.097 18.473 -25.000 14 HB2 LYS 2 2HB LYS 2 8.823 16.215 -26.989 15 HB3 LYS 2 3HB LYS 2 7.428 16.938 -26.207 16 HG2 LYS 2 2HG LYS 2 7.612 17.949 -28.323 17 HG3 LYS 2 3HG LYS 2 8.183 19.147 -27.163 18 HD2 LYS 2 2HD LYS 2 10.481 18.628 -27.705 19 HD3 LYS 2 3HD LYS 2 9.966 17.321 -28.770 20 HE2 LYS 2 2HE LYS 2 10.569 19.314 -30.042 21 HE3 LYS 2 3HE LYS 2 8.859 18.928 -30.227 22 HZ1 LYS 2 3HZ LYS 2 8.303 20.655 -28.668 23 HZ2 LYS 2 1HZ LYS 2 9.272 21.307 -29.896 24 HZ3 LYS 2 2HZ LYS 2 9.936 20.983 -28.369 25 H LYS 3 H LYS 3 7.097 17.171 -24.082 26 HA LYS 3 HA LYS 3 8.159 15.034 -22.364 27 HB2 LYS 3 2HB LYS 3 7.449 17.035 -21.113 28 HB3 LYS 3 3HB LYS 3 5.836 16.880 -21.797 29 HG2 LYS 3 2HG LYS 3 5.554 14.730 -20.685 30 HG3 LYS 3 3HG LYS 3 7.185 14.853 -20.023 31 HD2 LYS 3 2HD LYS 3 6.534 16.871 -18.797 32 HD3 LYS 3 3HD LYS 3 4.904 16.748 -19.463 33 HE2 LYS 3 2HE LYS 3 6.237 14.675 -17.721 34 HE3 LYS 3 3HE LYS 3 5.065 15.868 -17.165 35 HZ1 LYS 3 3HZ LYS 3 3.946 13.809 -17.553 36 HZ2 LYS 3 1HZ LYS 3 4.582 13.679 -19.120 37 HZ3 LYS 3 2HZ LYS 3 3.460 14.896 -18.755 38 H MET 4 H MET 4 7.738 13.360 -23.706 39 HA MET 4 HA MET 4 4.913 12.591 -23.915 40 HB2 MET 4 2HB MET 4 5.579 13.484 -26.116 41 HB3 MET 4 3HB MET 4 6.932 12.365 -26.162 42 HG2 MET 4 2HG MET 4 5.333 10.486 -26.117 43 HG3 MET 4 3HG MET 4 4.009 11.649 -26.181 44 HE1 MET 4 3HE MET 4 5.229 13.876 -28.148 45 HE2 MET 4 1HE MET 4 3.569 13.280 -28.234 46 HE3 MET 4 2HE MET 4 4.570 13.319 -29.686 47 H ALA 5 H ALA 5 8.290 11.623 -24.253 48 HA ALA 5 HA ALA 5 7.687 9.163 -22.785 49 HB1 ALA 5 3HB ALA 5 9.338 9.286 -25.312 50 HB2 ALA 5 1HB ALA 5 7.749 8.537 -25.150 51 HB3 ALA 5 2HB ALA 5 9.134 7.863 -24.289 52 H GLU 6 H GLU 6 10.186 8.105 -22.655 53 HA GLU 6 HA GLU 6 12.205 8.226 -21.665 54 HB2 GLU 6 2HB GLU 6 12.078 11.055 -22.687 55 HB3 GLU 6 3HB GLU 6 13.477 10.411 -21.839 56 HG2 GLU 6 2HG GLU 6 12.318 9.242 -24.352 57 HG3 GLU 6 3HG GLU 6 13.675 10.364 -24.297 58 H PHE 7 H PHE 7 11.803 7.801 -19.622 59 HA PHE 7 HA PHE 7 11.818 10.059 -17.793 60 HB2 PHE 7 2HB PHE 7 9.991 9.174 -16.412 61 HB3 PHE 7 3HB PHE 7 9.427 9.578 -18.026 62 HD1 PHE 7 HD2 PHE 7 9.104 7.692 -19.688 63 HD2 PHE 7 HD1 PHE 7 9.676 7.036 -15.519 64 HE1 PHE 7 HE2 PHE 7 8.141 5.439 -19.911 65 HE2 PHE 7 HE1 PHE 7 8.713 4.784 -15.738 66 HZ PHE 7 HZ PHE 7 7.943 3.983 -17.936 67 H THR 8 H THR 8 13.348 9.730 -16.348 68 HA THR 8 HA THR 8 14.446 7.075 -15.992 69 HB THR 8 HB THR 8 16.113 8.295 -14.538 70 HG1 THR 8 HG1 THR 8 15.937 10.430 -14.274 71 HG21 THR 8 3HG2 THR 8 17.253 9.402 -16.419 72 HG22 THR 8 1HG2 THR 8 15.768 9.303 -17.364 73 HG23 THR 8 2HG2 THR 8 16.607 7.827 -16.885 74 H PHE 9 H PHE 9 14.359 5.898 -14.130 75 HA PHE 9 HA PHE 9 12.904 7.085 -11.872 76 HB2 PHE 9 2HB PHE 9 12.057 4.736 -11.386 77 HB3 PHE 9 3HB PHE 9 11.350 5.545 -12.776 78 HD1 PHE 9 HD1 PHE 9 12.052 4.877 -15.070 79 HD2 PHE 9 HD2 PHE 9 13.230 2.695 -11.610 80 HE1 PHE 9 HE1 PHE 9 12.603 2.941 -16.482 81 HE2 PHE 9 HE2 PHE 9 13.785 0.754 -13.019 82 HZ PHE 9 HZ PHE 9 13.472 0.877 -15.461 83 H GLU 10 H GLU 10 14.078 7.222 -10.136 84 HA GLU 10 HA GLU 10 16.504 5.568 -9.928 85 HB2 GLU 10 2HB GLU 10 15.865 8.284 -8.765 86 HB3 GLU 10 3HB GLU 10 17.362 7.403 -8.495 87 HG2 GLU 10 2HG GLU 10 16.403 8.183 -11.227 88 HG3 GLU 10 3HG GLU 10 17.423 9.224 -10.235 89 H ILE 11 H ILE 11 16.435 4.026 -8.440 90 HA ILE 11 HA ILE 11 14.565 4.242 -6.202 91 HB ILE 11 HB ILE 11 16.456 1.949 -6.740 92 HG12 ILE 11 2HG1 ILE 11 15.011 2.310 -8.720 93 HG13 ILE 11 3HG1 ILE 11 14.635 0.803 -7.894 94 HG21 ILE 11 1HG2 ILE 11 13.891 2.156 -5.156 95 HG22 ILE 11 2HG2 ILE 11 15.522 2.022 -4.498 96 HG23 ILE 11 3HG2 ILE 11 14.825 0.678 -5.399 97 HD11 ILE 11 3HD1 ILE 11 13.085 3.370 -7.693 98 HD12 ILE 11 1HD1 ILE 11 12.708 1.872 -6.840 99 HD13 ILE 11 2HD1 ILE 11 12.619 1.932 -8.600 100 H GLU 12 H GLU 12 15.418 5.689 -4.767 101 HA GLU 12 HA GLU 12 18.266 5.405 -4.114 102 HB2 GLU 12 2HB GLU 12 18.177 7.662 -3.225 103 HB3 GLU 12 3HB GLU 12 17.555 7.635 -4.866 104 HG2 GLU 12 2HG GLU 12 15.837 7.665 -2.400 105 HG3 GLU 12 3HG GLU 12 16.281 9.093 -3.335 106 H GLU 13 H GLU 13 15.061 5.322 -2.666 107 HA GLU 13 HA GLU 13 16.368 4.712 -0.095 108 HB2 GLU 13 2HB GLU 13 15.445 7.011 -0.174 109 HB3 GLU 13 3HB GLU 13 13.850 6.331 -0.455 110 HG2 GLU 13 2HG GLU 13 13.900 5.242 1.705 111 HG3 GLU 13 3HG GLU 13 15.541 5.828 1.983 112 H HIS 14 H HIS 14 15.899 2.798 0.631 113 HA HIS 14 HA HIS 14 13.386 1.476 -0.079 114 HB2 HIS 14 2HB HIS 14 15.791 0.493 1.488 115 HB3 HIS 14 3HB HIS 14 14.369 -0.476 1.132 116 HD1 HIS 14 HD1 HIS 14 17.244 1.240 -0.636 117 HD2 HIS 14 HD2 HIS 14 14.465 -1.789 -1.271 118 HE1 HIS 14 HE1 HIS 14 17.901 0.157 -2.811 119 HE2 HIS 14 HE2 HIS 14 16.324 -1.790 -3.074 120 H LEU 15 H LEU 15 11.676 1.998 1.185 121 HA LEU 15 HA LEU 15 11.997 3.060 3.815 122 HB2 LEU 15 2HB LEU 15 9.550 2.093 2.339 123 HB3 LEU 15 3HB LEU 15 9.500 2.839 3.926 124 HG LEU 15 HG LEU 15 10.528 4.176 1.420 125 HD11 LEU 15 1HD1 LEU 15 8.133 3.835 1.292 126 HD12 LEU 15 2HD1 LEU 15 8.491 5.537 1.579 127 HD13 LEU 15 3HD1 LEU 15 7.930 4.520 2.904 128 HD21 LEU 15 3HD2 LEU 15 10.038 5.244 4.198 129 HD22 LEU 15 1HD2 LEU 15 10.483 6.211 2.790 130 HD23 LEU 15 2HD2 LEU 15 11.611 5.012 3.428 131 H LEU 16 H LEU 16 10.520 0.029 2.636 132 HA LEU 16 HA LEU 16 12.070 -1.561 4.365 133 HB2 LEU 16 2HB LEU 16 10.433 -2.415 5.905 134 HB3 LEU 16 3HB LEU 16 10.547 -0.679 6.095 135 HG LEU 16 HG LEU 16 8.436 -1.468 4.242 136 HD11 LEU 16 1HD1 LEU 16 8.286 -3.406 5.694 137 HD12 LEU 16 2HD1 LEU 16 6.932 -2.316 5.993 138 HD13 LEU 16 3HD1 LEU 16 8.289 -2.364 7.118 139 HD21 LEU 16 3HD2 LEU 16 8.466 0.148 6.787 140 HD22 LEU 16 1HD2 LEU 16 7.157 0.088 5.607 141 HD23 LEU 16 2HD2 LEU 16 8.716 0.784 5.159 142 H THR 17 H THR 17 11.969 -3.689 3.821 143 HA THR 17 HA THR 17 10.270 -4.415 1.582 144 HB THR 17 HB THR 17 12.432 -5.989 3.010 145 HG1 THR 17 HG1 THR 17 12.682 -5.018 0.373 146 HG21 THR 17 3HG2 THR 17 10.999 -6.573 0.409 147 HG22 THR 17 1HG2 THR 17 10.796 -7.457 1.922 148 HG23 THR 17 2HG2 THR 17 12.345 -7.498 1.079 149 H LEU 18 H LEU 18 8.344 -5.346 1.891 150 HA LEU 18 HA LEU 18 7.452 -6.013 4.519 151 HB2 LEU 18 2HB LEU 18 6.148 -6.426 1.828 152 HB3 LEU 18 3HB LEU 18 5.363 -6.733 3.364 153 HG LEU 18 HG LEU 18 6.370 -4.036 2.451 154 HD11 LEU 18 1HD1 LEU 18 3.581 -5.175 2.571 155 HD12 LEU 18 2HD1 LEU 18 4.483 -4.761 1.112 156 HD13 LEU 18 3HD1 LEU 18 3.982 -3.492 2.230 157 HD21 LEU 18 3HD2 LEU 18 4.687 -4.820 4.829 158 HD22 LEU 18 1HD2 LEU 18 5.158 -3.183 4.378 159 HD23 LEU 18 2HD2 LEU 18 6.385 -4.344 4.890 160 H SER 19 H SER 19 7.295 -8.061 1.606 161 HA SER 19 HA SER 19 8.577 -10.282 2.889 162 HB2 SER 19 2HB SER 19 5.564 -10.344 2.581 163 HB3 SER 19 3HB SER 19 6.553 -11.773 2.872 164 HG SER 19 HG SER 19 7.080 -9.771 4.645 165 H GLU 20 H GLU 20 8.790 -12.119 1.510 166 HA GLU 20 HA GLU 20 8.175 -11.653 -1.304 167 HB2 GLU 20 2HB GLU 20 10.362 -12.635 -0.746 168 HB3 GLU 20 3HB GLU 20 9.561 -13.976 0.065 169 HG2 GLU 20 2HG GLU 20 8.570 -14.666 -2.058 170 HG3 GLU 20 3HG GLU 20 9.376 -13.323 -2.867 171 H ASN 21 H ASN 21 6.103 -12.047 -1.841 172 HA ASN 21 HA ASN 21 4.513 -13.638 -0.032 173 HB2 ASN 21 2HB ASN 21 3.798 -11.407 -0.946 174 HB3 ASN 21 3HB ASN 21 3.610 -12.177 -2.516 175 HD21 ASN 21 1HD2 ASN 21 2.836 -13.704 0.554 176 HD22 ASN 21 2HD2 ASN 21 1.124 -13.745 0.304 177 H GLU 22 H GLU 22 4.144 -15.637 -0.244 178 HA GLU 22 HA GLU 22 3.852 -17.731 -1.021 179 HB2 GLU 22 2HB GLU 22 2.166 -16.280 -3.053 180 HB3 GLU 22 3HB GLU 22 1.999 -17.959 -2.562 181 HG2 GLU 22 2HG GLU 22 1.455 -15.495 -0.940 182 HG3 GLU 22 3HG GLU 22 0.323 -16.756 -1.425 183 H LYS 23 H LYS 23 3.575 -16.377 -4.279 184 HA LYS 23 HA LYS 23 5.271 -18.558 -5.184 185 HB2 LYS 23 2HB LYS 23 3.471 -16.627 -6.635 186 HB3 LYS 23 3HB LYS 23 4.486 -17.802 -7.463 187 HG2 LYS 23 2HG LYS 23 2.331 -18.455 -5.463 188 HG3 LYS 23 3HG LYS 23 2.186 -18.587 -7.218 189 HD2 LYS 23 2HD LYS 23 3.914 -20.273 -7.278 190 HD3 LYS 23 3HD LYS 23 4.216 -20.073 -5.551 191 HE2 LYS 23 2HE LYS 23 1.994 -20.906 -5.040 192 HE3 LYS 23 3HE LYS 23 1.619 -21.022 -6.760 193 HZ1 LYS 23 3HZ LYS 23 3.258 -22.717 -7.028 194 HZ2 LYS 23 1HZ LYS 23 2.263 -23.160 -5.727 195 HZ3 LYS 23 2HZ LYS 23 3.810 -22.526 -5.435 196 H GLY 24 H GLY 24 6.323 -16.024 -3.910 197 HA2 GLY 24 2HA GLY 24 8.580 -15.376 -4.128 198 HA3 GLY 24 3HA GLY 24 8.515 -15.790 -5.832 199 H TRP 25 H TRP 25 5.794 -14.033 -5.112 200 HA TRP 25 HA TRP 25 6.842 -11.725 -6.478 201 HB2 TRP 25 2HB TRP 25 4.142 -12.480 -5.403 202 HB3 TRP 25 3HB TRP 25 4.471 -10.823 -5.902 203 HD1 TRP 25 HD1 TRP 25 4.749 -14.377 -7.453 204 HE1 TRP 25 HE1 TRP 25 4.164 -14.189 -9.950 205 HE3 TRP 25 HE3 TRP 25 4.040 -9.322 -7.735 206 HZ2 TRP 25 HZ2 TRP 25 3.481 -12.159 -11.797 207 HZ3 TRP 25 HZ3 TRP 25 3.421 -8.336 -9.904 208 HH2 TRP 25 HH2 TRP 25 3.148 -9.727 -11.891 209 H THR 26 H THR 26 8.026 -10.282 -5.447 210 HA THR 26 HA THR 26 7.918 -10.195 -2.557 211 HB THR 26 HB THR 26 9.787 -8.386 -3.101 212 HG1 THR 26 HG1 THR 26 10.026 -8.255 -5.208 213 HG21 THR 26 3HG2 THR 26 11.447 -10.213 -3.158 214 HG22 THR 26 1HG2 THR 26 10.143 -11.366 -3.441 215 HG23 THR 26 2HG2 THR 26 10.213 -10.467 -1.925 216 H LYS 27 H LYS 27 7.164 -8.594 -1.349 217 HA LYS 27 HA LYS 27 6.085 -6.228 -2.716 218 HB2 LYS 27 2HB LYS 27 4.909 -8.012 -0.798 219 HB3 LYS 27 3HB LYS 27 5.026 -6.402 -0.102 220 HG2 LYS 27 2HG LYS 27 2.914 -6.520 -1.119 221 HG3 LYS 27 3HG LYS 27 3.916 -5.540 -2.196 222 HD2 LYS 27 2HD LYS 27 2.586 -7.103 -3.483 223 HD3 LYS 27 3HD LYS 27 4.295 -7.512 -3.610 224 HE2 LYS 27 2HE LYS 27 2.868 -9.490 -3.331 225 HE3 LYS 27 3HE LYS 27 4.021 -9.304 -2.012 226 HZ1 LYS 27 3HZ LYS 27 1.216 -8.359 -1.826 227 HZ2 LYS 27 1HZ LYS 27 2.342 -8.549 -0.570 228 HZ3 LYS 27 2HZ LYS 27 1.697 -9.908 -1.347 229 H GLU 28 H GLU 28 7.249 -4.511 -2.431 230 HA GLU 28 HA GLU 28 8.571 -4.068 0.156 231 HB2 GLU 28 2HB GLU 28 9.801 -3.455 -2.538 232 HB3 GLU 28 3HB GLU 28 10.547 -3.230 -0.963 233 HG2 GLU 28 2HG GLU 28 10.499 -5.656 -0.612 234 HG3 GLU 28 3HG GLU 28 9.816 -5.859 -2.225 235 H ILE 29 H ILE 29 8.680 -1.913 0.787 236 HA ILE 29 HA ILE 29 7.122 -0.050 -0.881 237 HB ILE 29 HB ILE 29 7.549 0.062 2.112 238 HG12 ILE 29 2HG1 ILE 29 5.085 -0.734 0.539 239 HG13 ILE 29 3HG1 ILE 29 6.142 -1.856 1.391 240 HG21 ILE 29 1HG2 ILE 29 7.225 2.258 1.126 241 HG22 ILE 29 2HG2 ILE 29 5.790 1.789 2.040 242 HG23 ILE 29 3HG2 ILE 29 5.787 1.688 0.281 243 HD11 ILE 29 3HD1 ILE 29 4.141 -1.409 2.669 244 HD12 ILE 29 1HD1 ILE 29 4.484 0.320 2.641 245 HD13 ILE 29 2HD1 ILE 29 5.558 -0.777 3.505 246 H ASN 30 H ASN 30 8.256 1.540 -1.785 247 HA ASN 30 HA ASN 30 10.759 2.418 -0.520 248 HB2 ASN 30 2HB ASN 30 10.535 1.641 -3.437 249 HB3 ASN 30 3HB ASN 30 11.968 2.277 -2.638 250 HD21 ASN 30 1HD2 ASN 30 10.004 -0.486 -3.223 251 HD22 ASN 30 2HD2 ASN 30 11.025 -1.647 -2.448 252 H ARG 31 H ARG 31 11.691 4.293 -1.887 253 HA ARG 31 HA ARG 31 9.505 5.902 -3.024 254 HB2 ARG 31 2HB ARG 31 12.041 6.809 -1.650 255 HB3 ARG 31 3HB ARG 31 11.022 7.881 -2.600 256 HG2 ARG 31 2HG ARG 31 9.127 7.122 -1.038 257 HG3 ARG 31 3HG ARG 31 10.422 6.540 0.010 258 HD2 ARG 31 2HD ARG 31 10.199 9.359 -1.032 259 HD3 ARG 31 3HD ARG 31 9.617 8.835 0.545 260 HE ARG 31 HE ARG 31 12.038 8.183 0.954 261 HH11 ARG 31 1HH1 ARG 31 11.103 10.788 -1.203 262 HH12 ARG 31 2HH1 ARG 31 12.557 11.703 -0.930 263 HH21 ARG 31 1HH2 ARG 31 13.949 9.388 1.313 264 HH22 ARG 31 2HH2 ARG 31 14.171 10.901 0.483 265 H VAL 32 H VAL 32 10.144 7.231 -4.888 266 HA VAL 32 HA VAL 32 12.518 6.290 -6.315 267 HB VAL 32 HB VAL 32 9.798 6.263 -7.643 268 HG11 VAL 32 1HG1 VAL 32 12.473 5.218 -8.551 269 HG12 VAL 32 2HG1 VAL 32 11.655 6.661 -9.149 270 HG13 VAL 32 3HG1 VAL 32 10.954 5.069 -9.437 271 HG21 VAL 32 3HG2 VAL 32 11.361 3.885 -6.650 272 HG22 VAL 32 1HG2 VAL 32 9.884 3.827 -7.614 273 HG23 VAL 32 2HG2 VAL 32 9.843 4.487 -5.979 274 H SER 33 H SER 33 13.528 8.061 -7.080 275 HA SER 33 HA SER 33 12.105 10.507 -7.637 276 HB2 SER 33 2HB SER 33 14.968 9.700 -8.229 277 HB3 SER 33 3HB SER 33 14.310 11.321 -8.451 278 HG SER 33 HG SER 33 14.482 9.880 -5.996 279 H PHE 34 H PHE 34 11.288 11.147 -9.548 280 HA PHE 34 HA PHE 34 11.765 9.399 -11.871 281 HB2 PHE 34 2HB PHE 34 9.295 10.978 -11.128 282 HB3 PHE 34 3HB PHE 34 9.515 10.165 -12.672 283 HD1 PHE 34 HD1 PHE 34 9.762 7.672 -12.705 284 HD2 PHE 34 HD2 PHE 34 8.545 9.815 -9.236 285 HE1 PHE 34 HE1 PHE 34 8.830 5.602 -11.762 286 HE2 PHE 34 HE2 PHE 34 7.610 7.746 -8.282 287 HZ PHE 34 HZ PHE 34 7.752 5.638 -9.547 288 H ASN 35 H ASN 35 11.878 10.389 -13.940 289 HA ASN 35 HA ASN 35 13.196 12.833 -14.170 290 HB2 ASN 35 2HB ASN 35 13.179 11.177 -15.973 291 HB3 ASN 35 3HB ASN 35 11.455 11.430 -16.212 292 HD21 ASN 35 1HD2 ASN 35 10.743 13.296 -17.233 293 HD22 ASN 35 2HD2 ASN 35 11.807 14.319 -18.126 294 H GLY 36 H GLY 36 12.373 14.657 -13.332 295 HA2 GLY 36 2HA GLY 36 11.064 16.583 -13.499 296 HA3 GLY 36 3HA GLY 36 9.922 15.696 -14.498 297 H ALA 37 H ALA 37 10.829 14.084 -11.632 298 HA ALA 37 HA ALA 37 8.639 15.221 -10.076 299 HB1 ALA 37 3HB ALA 37 8.732 12.295 -10.811 300 HB2 ALA 37 1HB ALA 37 7.560 13.473 -11.404 301 HB3 ALA 37 2HB ALA 37 7.594 13.045 -9.692 302 HA PRO 38 HA PRO 38 11.569 14.404 -6.817 303 HB2 PRO 38 2HB PRO 38 9.846 14.589 -4.704 304 HB3 PRO 38 3HB PRO 38 10.496 15.998 -5.555 305 HG2 PRO 38 2HG PRO 38 7.842 14.650 -5.869 306 HG3 PRO 38 3HG PRO 38 8.218 16.382 -5.815 307 HD2 PRO 38 2HD PRO 38 7.752 15.097 -8.136 308 HD3 PRO 38 3HD PRO 38 8.920 16.429 -8.015 309 H ALA 39 H ALA 39 11.888 12.856 -5.023 310 HA ALA 39 HA ALA 39 11.168 10.227 -5.774 311 HB1 ALA 39 3HB ALA 39 12.347 9.512 -3.775 312 HB2 ALA 39 1HB ALA 39 12.344 11.164 -3.159 313 HB3 ALA 39 2HB ALA 39 13.263 10.767 -4.612 314 H LYS 40 H LYS 40 9.021 9.863 -5.779 315 HA LYS 40 HA LYS 40 7.442 10.439 -3.388 316 HB2 LYS 40 2HB LYS 40 6.662 9.573 -6.175 317 HB3 LYS 40 3HB LYS 40 5.514 9.747 -4.855 318 HG2 LYS 40 2HG LYS 40 6.023 12.106 -4.678 319 HG3 LYS 40 3HG LYS 40 7.268 11.953 -5.917 320 HD2 LYS 40 2HD LYS 40 5.629 11.442 -7.589 321 HD3 LYS 40 3HD LYS 40 4.351 11.338 -6.376 322 HE2 LYS 40 2HE LYS 40 4.561 13.694 -5.893 323 HE3 LYS 40 3HE LYS 40 5.936 13.830 -6.988 324 HZ1 LYS 40 3HZ LYS 40 3.413 12.810 -8.079 325 HZ2 LYS 40 1HZ LYS 40 4.610 13.757 -8.819 326 HZ3 LYS 40 2HZ LYS 40 3.514 14.469 -7.738 327 H PHE 41 H PHE 41 5.648 8.607 -3.077 328 HA PHE 41 HA PHE 41 7.244 6.318 -2.259 329 HB2 PHE 41 2HB PHE 41 4.357 6.968 -1.628 330 HB3 PHE 41 3HB PHE 41 5.348 5.745 -0.844 331 HD1 PHE 41 HD1 PHE 41 7.207 6.422 0.630 332 HD2 PHE 41 HD2 PHE 41 4.485 9.254 -1.001 333 HE1 PHE 41 HE1 PHE 41 7.925 8.069 2.309 334 HE2 PHE 41 HE2 PHE 41 5.198 10.908 0.676 335 HZ PHE 41 HZ PHE 41 6.920 10.316 2.333 336 H ASP 42 H ASP 42 6.900 4.222 -2.877 337 HA ASP 42 HA ASP 42 4.732 3.678 -4.782 338 HB2 ASP 42 2HB ASP 42 6.771 4.123 -6.104 339 HB3 ASP 42 3HB ASP 42 7.626 2.883 -5.197 340 H ILE 43 H ILE 43 3.614 1.952 -4.156 341 HA ILE 43 HA ILE 43 4.793 0.023 -2.295 342 HB ILE 43 HB ILE 43 1.985 0.044 -3.433 343 HG12 ILE 43 2HG1 ILE 43 2.400 2.131 -2.208 344 HG13 ILE 43 3HG1 ILE 43 1.272 1.100 -1.337 345 HG21 ILE 43 1HG2 ILE 43 2.672 -2.100 -2.537 346 HG22 ILE 43 2HG2 ILE 43 1.463 -1.358 -1.490 347 HG23 ILE 43 3HG2 ILE 43 3.164 -1.334 -1.027 348 HD11 ILE 43 3HD1 ILE 43 4.200 1.423 -0.713 349 HD12 ILE 43 1HD1 ILE 43 3.054 0.419 0.174 350 HD13 ILE 43 2HD1 ILE 43 2.862 2.171 0.158 351 H ARG 44 H ARG 44 5.929 -1.619 -3.215 352 HA ARG 44 HA ARG 44 5.381 -2.066 -6.062 353 HB2 ARG 44 2HB ARG 44 7.483 -0.909 -5.606 354 HB3 ARG 44 3HB ARG 44 7.997 -2.230 -4.566 355 HG2 ARG 44 2HG ARG 44 9.067 -2.304 -6.763 356 HG3 ARG 44 3HG ARG 44 8.077 -3.731 -6.464 357 HD2 ARG 44 2HD ARG 44 7.861 -2.778 -8.763 358 HD3 ARG 44 3HD ARG 44 6.342 -2.920 -7.878 359 HE ARG 44 HE ARG 44 6.753 -0.435 -7.355 360 HH11 ARG 44 1HH1 ARG 44 7.820 -2.011 -10.311 361 HH12 ARG 44 2HH1 ARG 44 7.638 -0.588 -11.282 362 HH21 ARG 44 1HH2 ARG 44 6.486 1.419 -8.621 363 HH22 ARG 44 2HH2 ARG 44 6.860 1.370 -10.321 364 H ALA 45 H ALA 45 4.615 -3.903 -6.599 365 HA ALA 45 HA ALA 45 5.630 -6.345 -5.306 366 HB1 ALA 45 3HB ALA 45 3.189 -6.072 -5.105 367 HB2 ALA 45 1HB ALA 45 3.619 -7.471 -6.090 368 HB3 ALA 45 2HB ALA 45 3.066 -5.983 -6.862 369 H TRP 46 H TRP 46 7.212 -7.193 -6.541 370 HA TRP 46 HA TRP 46 6.804 -7.117 -9.446 371 HB2 TRP 46 2HB TRP 46 9.258 -6.933 -9.749 372 HB3 TRP 46 3HB TRP 46 8.546 -5.529 -8.970 373 HD1 TRP 46 HD1 TRP 46 8.922 -5.475 -6.164 374 HE1 TRP 46 HE1 TRP 46 11.052 -6.118 -4.852 375 HE3 TRP 46 HE3 TRP 46 11.210 -8.364 -9.713 376 HZ2 TRP 46 HZ2 TRP 46 13.376 -7.650 -5.279 377 HZ3 TRP 46 HZ3 TRP 46 13.389 -9.376 -9.181 378 HH2 TRP 46 HH2 TRP 46 14.449 -9.023 -7.009 379 H SER 47 H SER 47 7.513 -8.856 -10.640 380 HA SER 47 HA SER 47 7.259 -11.361 -9.268 381 HB2 SER 47 2HB SER 47 6.201 -10.948 -11.468 382 HB3 SER 47 3HB SER 47 7.797 -10.770 -12.193 383 HG SER 47 HG SER 47 6.697 -13.104 -11.002 384 HA PRO 48 HA PRO 48 11.588 -12.242 -8.828 385 HB2 PRO 48 2HB PRO 48 11.510 -14.969 -8.850 386 HB3 PRO 48 3HB PRO 48 11.030 -13.992 -7.459 387 HG2 PRO 48 2HG PRO 48 9.332 -15.324 -9.519 388 HG3 PRO 48 3HG PRO 48 9.061 -15.162 -7.776 389 HD2 PRO 48 2HD PRO 48 7.821 -13.615 -9.647 390 HD3 PRO 48 3HD PRO 48 8.155 -13.062 -7.994 391 H ASP 49 H ASP 49 11.622 -11.318 -11.113 392 HA ASP 49 HA ASP 49 12.402 -11.304 -13.227 393 HB2 ASP 49 2HB ASP 49 14.440 -12.120 -12.162 394 HB3 ASP 49 3HB ASP 49 13.882 -13.782 -12.329 395 H HIS 50 H HIS 50 10.227 -11.732 -13.916 396 HA HIS 50 HA HIS 50 10.189 -13.971 -15.762 397 HB2 HIS 50 2HB HIS 50 8.027 -13.530 -13.691 398 HB3 HIS 50 3HB HIS 50 7.790 -14.493 -15.140 399 HD1 HIS 50 HD1 HIS 50 8.533 -14.911 -11.712 400 HD2 HIS 50 HD2 HIS 50 9.920 -16.665 -15.212 401 HE1 HIS 50 HE1 HIS 50 9.569 -17.092 -11.014 402 HE2 HIS 50 HE2 HIS 50 10.177 -18.229 -13.176 403 H THR 51 H THR 51 8.511 -13.669 -17.437 404 HA THR 51 HA THR 51 8.208 -10.894 -18.104 405 HB THR 51 HB THR 51 6.992 -13.294 -19.493 406 HG1 THR 51 HG1 THR 51 9.256 -11.976 -20.499 407 HG21 THR 51 3HG2 THR 51 7.537 -10.486 -20.463 408 HG22 THR 51 1HG2 THR 51 5.950 -11.175 -20.125 409 HG23 THR 51 2HG2 THR 51 6.924 -11.812 -21.451 410 H LYS 52 H LYS 52 7.024 -10.399 -16.104 411 HA LYS 52 HA LYS 52 4.157 -10.458 -16.656 412 HB2 LYS 52 2HB LYS 52 5.326 -11.020 -13.914 413 HB3 LYS 52 3HB LYS 52 3.618 -10.875 -14.299 414 HG2 LYS 52 2HG LYS 52 3.872 -12.868 -15.795 415 HG3 LYS 52 3HG LYS 52 5.510 -13.052 -15.166 416 HD2 LYS 52 2HD LYS 52 4.523 -13.152 -12.865 417 HD3 LYS 52 3HD LYS 52 2.929 -13.194 -13.614 418 HE2 LYS 52 2HE LYS 52 5.137 -15.216 -13.969 419 HE3 LYS 52 3HE LYS 52 3.657 -15.436 -13.041 420 HZ1 LYS 52 3HZ LYS 52 3.918 -15.155 -15.982 421 HZ2 LYS 52 1HZ LYS 52 2.424 -15.091 -15.176 422 HZ3 LYS 52 2HZ LYS 52 3.366 -16.501 -15.117 423 H MET 53 H MET 53 3.041 -8.667 -15.662 424 HA MET 53 HA MET 53 4.807 -6.362 -15.417 425 HB2 MET 53 2HB MET 53 2.748 -5.020 -15.748 426 HB3 MET 53 3HB MET 53 3.065 -6.131 -17.070 427 HG2 MET 53 2HG MET 53 1.116 -6.684 -14.844 428 HG3 MET 53 3HG MET 53 0.674 -5.946 -16.381 429 HE1 MET 53 3HE MET 53 1.506 -8.846 -18.909 430 HE2 MET 53 1HE MET 53 2.589 -7.553 -18.393 431 HE3 MET 53 2HE MET 53 0.897 -7.198 -18.738 432 H GLY 54 H GLY 54 5.093 -5.260 -13.597 433 HA2 GLY 54 2HA GLY 54 4.091 -6.338 -11.137 434 HA3 GLY 54 3HA GLY 54 5.166 -4.958 -11.317 435 H LYS 55 H LYS 55 2.517 -5.599 -9.840 436 HA LYS 55 HA LYS 55 0.797 -3.512 -10.947 437 HB2 LYS 55 2HB LYS 55 0.282 -5.463 -8.693 438 HB3 LYS 55 3HB LYS 55 -0.909 -4.391 -9.425 439 HG2 LYS 55 2HG LYS 55 0.534 -6.648 -10.795 440 HG3 LYS 55 3HG LYS 55 -1.153 -6.645 -10.278 441 HD2 LYS 55 2HD LYS 55 -1.682 -4.896 -11.846 442 HD3 LYS 55 3HD LYS 55 0.019 -4.707 -12.269 443 HE2 LYS 55 2HE LYS 55 -0.998 -5.953 -14.015 444 HE3 LYS 55 3HE LYS 55 -0.019 -7.080 -13.080 445 HZ1 LYS 55 3HZ LYS 55 -2.964 -6.743 -12.872 446 HZ2 LYS 55 1HZ LYS 55 -2.031 -7.824 -11.948 447 HZ3 LYS 55 2HZ LYS 55 -2.158 -8.028 -13.627 448 H GLY 56 H GLY 56 3.321 -2.982 -9.529 449 HA2 GLY 56 2HA GLY 56 2.890 -1.918 -6.969 450 HA3 GLY 56 3HA GLY 56 4.145 -1.400 -8.086 451 H ILE 57 H ILE 57 2.245 0.061 -6.218 452 HA ILE 57 HA ILE 57 1.111 1.901 -8.217 453 HB ILE 57 HB ILE 57 -0.717 0.622 -7.263 454 HG12 ILE 57 2HG1 ILE 57 -0.664 3.424 -6.117 455 HG13 ILE 57 3HG1 ILE 57 -1.085 3.012 -7.776 456 HG21 ILE 57 1HG2 ILE 57 0.263 1.589 -4.583 457 HG22 ILE 57 2HG2 ILE 57 0.289 -0.073 -5.176 458 HG23 ILE 57 3HG2 ILE 57 -1.251 0.730 -4.864 459 HD11 ILE 57 3HD1 ILE 57 -3.066 3.426 -6.441 460 HD12 ILE 57 1HD1 ILE 57 -2.586 2.160 -5.310 461 HD13 ILE 57 2HD1 ILE 57 -3.009 1.743 -6.969 462 H THR 58 H THR 58 1.473 4.022 -7.908 463 HA THR 58 HA THR 58 3.352 4.772 -5.854 464 HB THR 58 HB THR 58 3.100 7.061 -7.046 465 HG1 THR 58 HG1 THR 58 2.396 6.555 -9.329 466 HG21 THR 58 3HG2 THR 58 5.044 5.608 -7.308 467 HG22 THR 58 1HG2 THR 58 4.609 6.350 -8.846 468 HG23 THR 58 2HG2 THR 58 4.190 4.666 -8.531 469 H LEU 59 H LEU 59 3.032 6.208 -4.206 470 HA LEU 59 HA LEU 59 0.281 7.183 -3.781 471 HB2 LEU 59 2HB LEU 59 2.213 6.202 -1.673 472 HB3 LEU 59 3HB LEU 59 0.638 6.900 -1.358 473 HG LEU 59 HG LEU 59 1.158 4.286 -2.779 474 HD11 LEU 59 1HD1 LEU 59 1.590 4.178 -0.385 475 HD12 LEU 59 2HD1 LEU 59 0.123 3.291 -0.800 476 HD13 LEU 59 3HD1 LEU 59 0.007 4.885 -0.057 477 HD21 LEU 59 3HD2 LEU 59 -1.255 3.990 -2.715 478 HD22 LEU 59 1HD2 LEU 59 -0.826 5.425 -3.646 479 HD23 LEU 59 2HD2 LEU 59 -1.446 5.592 -2.003 480 H SER 60 H SER 60 0.073 9.278 -3.185 481 HA SER 60 HA SER 60 2.453 10.939 -3.221 482 HB2 SER 60 2HB SER 60 0.373 11.631 -4.395 483 HB3 SER 60 3HB SER 60 -0.453 11.718 -2.842 484 HG SER 60 HG SER 60 1.472 13.418 -3.954 485 H ASN 61 H ASN 61 2.434 12.794 -1.494 486 HA ASN 61 HA ASN 61 3.061 11.643 0.980 487 HB2 ASN 61 2HB ASN 61 3.987 13.791 0.277 488 HB3 ASN 61 3HB ASN 61 2.387 14.524 0.336 489 HD21 ASN 61 1HD2 ASN 61 5.075 13.345 2.194 490 HD22 ASN 61 2HD2 ASN 61 4.580 14.005 3.711 491 H GLU 62 H GLU 62 0.231 13.556 0.036 492 HA GLU 62 HA GLU 62 -1.247 13.547 2.358 493 HB2 GLU 62 2HB GLU 62 -1.858 14.728 0.284 494 HB3 GLU 62 3HB GLU 62 -2.248 13.192 -0.474 495 HG2 GLU 62 2HG GLU 62 -4.007 12.874 1.268 496 HG3 GLU 62 3HG GLU 62 -3.685 14.524 1.805 497 H GLU 63 H GLU 63 -1.362 11.127 -0.222 498 HA GLU 63 HA GLU 63 -3.307 9.491 0.989 499 HB2 GLU 63 2HB GLU 63 -1.254 8.632 -1.051 500 HB3 GLU 63 3HB GLU 63 -2.853 7.950 -0.788 501 HG2 GLU 63 2HG GLU 63 -3.904 9.941 -1.625 502 HG3 GLU 63 3HG GLU 63 -2.347 10.759 -1.745 503 H PHE 64 H PHE 64 0.226 9.311 0.860 504 HA PHE 64 HA PHE 64 0.437 6.756 2.058 505 HB2 PHE 64 2HB PHE 64 2.152 8.082 0.643 506 HB3 PHE 64 3HB PHE 64 2.591 8.852 2.163 507 HD1 PHE 64 HD1 PHE 64 2.411 5.622 0.394 508 HD2 PHE 64 HD2 PHE 64 3.956 7.752 3.737 509 HE1 PHE 64 HE1 PHE 64 3.909 3.740 0.892 510 HE2 PHE 64 HE2 PHE 64 5.459 5.870 4.242 511 HZ PHE 64 HZ PHE 64 5.437 3.865 2.816 512 H GLN 65 H GLN 65 0.694 10.053 3.356 513 HA GLN 65 HA GLN 65 1.378 9.314 5.993 514 HB2 GLN 65 2HB GLN 65 1.652 11.599 5.107 515 HB3 GLN 65 3HB GLN 65 -0.095 11.779 5.040 516 HG2 GLN 65 2HG GLN 65 0.818 12.903 6.981 517 HG3 GLN 65 3HG GLN 65 -0.214 11.560 7.468 518 HE21 GLN 65 1HE2 GLN 65 0.705 9.749 8.414 519 HE22 GLN 65 2HE2 GLN 65 2.322 9.752 9.040 520 H THR 66 H THR 66 -1.726 9.900 4.415 521 HA THR 66 HA THR 66 -3.420 9.608 6.610 522 HB THR 66 HB THR 66 -3.906 8.808 3.733 523 HG1 THR 66 HG1 THR 66 -3.565 10.959 3.709 524 HG21 THR 66 3HG2 THR 66 -6.294 9.067 4.261 525 HG22 THR 66 1HG2 THR 66 -5.885 9.343 5.954 526 HG23 THR 66 2HG2 THR 66 -5.555 7.779 5.210 527 H MET 67 H MET 67 -2.131 7.173 4.381 528 HA MET 67 HA MET 67 -3.396 4.901 5.365 529 HB2 MET 67 2HB MET 67 -2.098 4.869 3.306 530 HB3 MET 67 3HB MET 67 -0.618 5.202 4.198 531 HG2 MET 67 2HG MET 67 -0.937 3.032 5.384 532 HG3 MET 67 3HG MET 67 -2.283 2.698 4.295 533 HE1 MET 67 3HE MET 67 2.148 3.017 3.063 534 HE2 MET 67 1HE MET 67 1.561 3.038 4.727 535 HE3 MET 67 2HE MET 67 1.231 4.401 3.657 536 H VAL 68 H VAL 68 -0.232 6.227 6.269 537 HA VAL 68 HA VAL 68 0.572 4.232 8.007 538 HB VAL 68 HB VAL 68 1.258 7.168 7.973 539 HG11 VAL 68 1HG1 VAL 68 3.239 6.546 9.331 540 HG12 VAL 68 2HG1 VAL 68 2.549 4.938 9.551 541 HG13 VAL 68 3HG1 VAL 68 1.718 6.348 10.200 542 HG21 VAL 68 3HG2 VAL 68 3.315 6.382 6.894 543 HG22 VAL 68 1HG2 VAL 68 1.882 5.923 5.972 544 HG23 VAL 68 2HG2 VAL 68 2.715 4.725 6.963 545 H ASP 69 H ASP 69 -0.916 7.353 8.928 546 HA ASP 69 HA ASP 69 -0.781 6.698 11.696 547 HB2 ASP 69 2HB ASP 69 -0.698 9.021 10.792 548 HB3 ASP 69 3HB ASP 69 -2.409 8.886 10.403 549 H ALA 70 H ALA 70 -3.249 6.371 9.241 550 HA ALA 70 HA ALA 70 -5.474 5.978 10.909 551 HB1 ALA 70 3HB ALA 70 -5.678 6.320 8.496 552 HB2 ALA 70 1HB ALA 70 -6.499 4.845 9.005 553 HB3 ALA 70 2HB ALA 70 -4.929 4.752 8.208 554 H PHE 71 H PHE 71 -3.353 3.549 9.364 555 HA PHE 71 HA PHE 71 -4.522 1.364 10.744 556 HB2 PHE 71 2HB PHE 71 -1.864 1.616 9.335 557 HB3 PHE 71 3HB PHE 71 -2.518 0.103 9.954 558 HD1 PHE 71 HD1 PHE 71 -5.095 -0.251 9.174 559 HD2 PHE 71 HD2 PHE 71 -2.113 1.956 7.107 560 HE1 PHE 71 HE1 PHE 71 -6.318 -0.583 7.064 561 HE2 PHE 71 HE2 PHE 71 -3.325 1.629 4.998 562 HZ PHE 71 HZ PHE 71 -5.423 0.358 4.974 563 H LYS 72 H LYS 72 -1.899 3.536 11.461 564 HA LYS 72 HA LYS 72 -0.590 2.214 13.512 565 HB2 LYS 72 2HB LYS 72 0.167 4.348 12.600 566 HB3 LYS 72 3HB LYS 72 -1.246 5.160 13.259 567 HG2 LYS 72 2HG LYS 72 -0.457 4.629 15.529 568 HG3 LYS 72 3HG LYS 72 0.985 3.882 14.833 569 HD2 LYS 72 2HD LYS 72 1.606 6.014 13.815 570 HD3 LYS 72 3HD LYS 72 0.150 6.764 14.472 571 HE2 LYS 72 2HE LYS 72 0.962 6.278 16.747 572 HE3 LYS 72 3HE LYS 72 2.431 5.590 16.060 573 HZ1 LYS 72 3HZ LYS 72 1.552 8.396 15.657 574 HZ2 LYS 72 1HZ LYS 72 3.019 7.715 15.163 575 HZ3 LYS 72 2HZ LYS 72 2.687 7.913 16.813 576 H GLY 73 H GLY 73 -3.581 4.114 13.611 577 HA2 GLY 73 2HA GLY 73 -3.918 3.468 16.449 578 HA3 GLY 73 3HA GLY 73 -4.919 4.559 15.505 579 H ASN 74 H ASN 74 -5.178 2.490 13.350 580 HA ASN 74 HA ASN 74 -7.525 1.267 14.526 581 HB2 ASN 74 2HB ASN 74 -6.548 1.624 11.718 582 HB3 ASN 74 3HB ASN 74 -7.824 0.464 12.067 583 HD21 ASN 74 1HD2 ASN 74 -9.827 1.179 12.677 584 HD22 ASN 74 2HD2 ASN 74 -10.309 2.838 12.552 585 H LEU 75 H LEU 75 -4.934 -0.049 12.409 586 HA LEU 75 HA LEU 75 -5.833 -2.704 12.871 587 HB2 LEU 75 2HB LEU 75 -4.648 -1.999 10.799 588 HB3 LEU 75 3HB LEU 75 -3.168 -1.853 11.732 589 HG LEU 75 HG LEU 75 -3.257 -4.260 12.255 590 HD11 LEU 75 1HD1 LEU 75 -4.846 -5.697 11.088 591 HD12 LEU 75 2HD1 LEU 75 -5.654 -4.273 10.435 592 HD13 LEU 75 3HD1 LEU 75 -5.660 -4.570 12.174 593 HD21 LEU 75 3HD2 LEU 75 -1.922 -3.733 10.380 594 HD22 LEU 75 1HD2 LEU 75 -3.333 -3.478 9.351 595 HD23 LEU 75 2HD2 LEU 75 -2.919 -5.102 9.894 596 H GLU 76 H GLU 76 -3.227 -0.767 14.264 597 HA GLU 76 HA GLU 76 -2.234 -3.026 15.747 598 HB2 GLU 76 2HB GLU 76 -0.683 -1.254 15.059 599 HB3 GLU 76 3HB GLU 76 -1.561 -0.098 16.057 600 HG2 GLU 76 2HG GLU 76 0.478 -0.898 17.150 601 HG3 GLU 76 3HG GLU 76 -0.974 -1.323 18.058 602 H HIS 77 H HIS 77 -3.741 -3.808 17.063 603 HA HIS 77 HA HIS 77 -4.478 -2.115 19.339 604 HB2 HIS 77 2HB HIS 77 -6.395 -2.291 17.725 605 HB3 HIS 77 3HB HIS 77 -6.375 -4.034 17.953 606 HD1 HIS 77 HD1 HIS 77 -8.317 -4.636 19.334 607 HD2 HIS 77 HD2 HIS 77 -6.519 -1.126 20.654 608 HE1 HIS 77 HE1 HIS 77 -9.602 -3.941 21.382 609 HE2 HIS 77 HE2 HIS 77 -8.370 -1.935 22.275 610 H HIS 78 H HIS 78 -2.495 -4.257 18.645 611 HA HIS 78 HA HIS 78 -2.962 -6.021 20.907 612 HB2 HIS 78 2HB HIS 78 -2.730 -8.072 19.656 613 HB3 HIS 78 3HB HIS 78 -4.054 -7.150 18.968 614 HD1 HIS 78 HD1 HIS 78 -1.529 -5.385 17.420 615 HD2 HIS 78 HD2 HIS 78 -2.712 -9.366 17.092 616 HE1 HIS 78 HE1 HIS 78 -0.676 -6.171 15.198 617 HE2 HIS 78 HE2 HIS 78 -1.178 -8.633 15.150 618 H HIS 79 H HIS 79 -0.876 -7.864 20.210 619 HA HIS 79 HA HIS 79 1.341 -8.157 19.768 620 HB2 HIS 79 2HB HIS 79 1.115 -6.631 17.876 621 HB3 HIS 79 3HB HIS 79 1.253 -5.244 18.938 622 HD1 HIS 79 HD1 HIS 79 3.178 -4.584 17.238 623 HD2 HIS 79 HD2 HIS 79 3.966 -7.865 19.663 624 HE1 HIS 79 HE1 HIS 79 5.666 -4.916 17.131 625 HE2 HIS 79 HE2 HIS 79 6.138 -6.782 18.760 626 H HIS 80 H HIS 80 1.065 -4.859 21.055 627 HA HIS 80 HA HIS 80 1.571 -5.262 23.707 628 HB2 HIS 80 2HB HIS 80 3.769 -6.289 22.768 629 HB3 HIS 80 3HB HIS 80 4.225 -4.627 22.410 630 HD1 HIS 80 HD1 HIS 80 5.472 -3.483 24.222 631 HD2 HIS 80 HD2 HIS 80 3.119 -6.599 25.665 632 HE1 HIS 80 HE1 HIS 80 5.996 -3.654 26.678 633 HE2 HIS 80 HE2 HIS 80 4.654 -5.624 27.504 634 H HIS 81 H HIS 81 3.285 -3.395 21.283 635 HA HIS 81 HA HIS 81 1.639 -1.195 21.099 636 HB2 HIS 81 2HB HIS 81 2.371 -0.855 23.531 637 HB3 HIS 81 3HB HIS 81 3.989 -0.559 22.901 638 HD1 HIS 81 HD1 HIS 81 0.722 1.061 23.444 639 HD2 HIS 81 HD2 HIS 81 4.190 1.815 21.272 640 HE1 HIS 81 HE1 HIS 81 0.595 3.485 22.770 641 HE2 HIS 81 HE2 HIS 81 2.753 3.949 21.552 642 H HIS 82 H HIS 82 5.046 -2.017 21.503 643 HA HIS 82 HA HIS 82 5.451 -2.055 18.675 644 HB2 HIS 82 2HB HIS 82 5.745 0.372 19.127 645 HB3 HIS 82 3HB HIS 82 7.004 -0.016 20.296 646 HD1 HIS 82 HD1 HIS 82 9.333 -0.309 19.407 647 HD2 HIS 82 HD2 HIS 82 6.457 -0.304 16.402 648 HE1 HIS 82 HE1 HIS 82 10.614 -0.299 17.244 649 HE2 HIS 82 HE2 HIS 82 8.853 -0.166 15.442 650 H1 MET 1 1H MET 1 -16.203 -27.630 -22.128 651 H2 MET 1 2H MET 1 -15.383 -26.967 -20.802 652 H3 MET 1 3H MET 1 -16.173 -25.948 -21.901 653 HA MET 1 HA MET 1 -18.300 -26.993 -21.277 654 HB2 MET 1 2HB MET 1 -17.304 -29.075 -20.374 655 HB3 MET 1 3HB MET 1 -16.595 -28.150 -19.056 656 HG2 MET 1 2HG MET 1 -18.847 -27.537 -18.298 657 HG3 MET 1 3HG MET 1 -19.534 -28.516 -19.594 658 HE1 MET 1 3HE MET 1 -21.000 -29.931 -17.895 659 HE2 MET 1 1HE MET 1 -20.393 -28.896 -16.604 660 HE3 MET 1 2HE MET 1 -20.348 -30.648 -16.421 661 H LYS 2 H LYS 2 -19.520 -25.585 -20.159 662 HA LYS 2 HA LYS 2 -18.353 -23.154 -19.348 663 HB2 LYS 2 2HB LYS 2 -21.136 -24.243 -18.902 664 HB3 LYS 2 3HB LYS 2 -20.665 -22.580 -18.590 665 HG2 LYS 2 2HG LYS 2 -20.200 -22.215 -20.915 666 HG3 LYS 2 3HG LYS 2 -20.473 -23.921 -21.274 667 HD2 LYS 2 2HD LYS 2 -22.802 -23.722 -20.669 668 HD3 LYS 2 3HD LYS 2 -22.557 -22.049 -20.159 669 HE2 LYS 2 2HE LYS 2 -22.129 -23.068 -22.966 670 HE3 LYS 2 3HE LYS 2 -23.593 -22.263 -22.406 671 HZ1 LYS 2 3HZ LYS 2 -22.252 -20.642 -23.465 672 HZ2 LYS 2 1HZ LYS 2 -20.868 -21.103 -22.601 673 HZ3 LYS 2 2HZ LYS 2 -22.147 -20.340 -21.801 674 H LYS 3 H LYS 3 -17.046 -23.083 -17.617 675 HA LYS 3 HA LYS 3 -18.241 -23.868 -15.044 676 HB2 LYS 3 2HB LYS 3 -15.327 -24.068 -15.833 677 HB3 LYS 3 3HB LYS 3 -15.951 -24.342 -14.210 678 HG2 LYS 3 2HG LYS 3 -17.292 -26.214 -15.053 679 HG3 LYS 3 3HG LYS 3 -16.621 -25.952 -16.665 680 HD2 LYS 3 2HD LYS 3 -14.370 -26.373 -15.776 681 HD3 LYS 3 3HD LYS 3 -15.062 -26.667 -14.182 682 HE2 LYS 3 2HE LYS 3 -16.335 -28.551 -15.080 683 HE3 LYS 3 3HE LYS 3 -15.652 -28.255 -16.678 684 HZ1 LYS 3 3HZ LYS 3 -14.157 -29.058 -14.239 685 HZ2 LYS 3 1HZ LYS 3 -13.437 -28.663 -15.725 686 HZ3 LYS 3 2HZ LYS 3 -14.453 -30.017 -15.607 687 H MET 4 H MET 4 -18.924 -21.948 -14.327 688 HA MET 4 HA MET 4 -17.143 -19.624 -14.551 689 HB2 MET 4 2HB MET 4 -20.070 -19.751 -13.800 690 HB3 MET 4 3HB MET 4 -19.129 -18.285 -14.034 691 HG2 MET 4 2HG MET 4 -19.685 -20.339 -16.162 692 HG3 MET 4 3HG MET 4 -20.577 -18.835 -15.945 693 HE1 MET 4 3HE MET 4 -20.030 -18.465 -18.591 694 HE2 MET 4 1HE MET 4 -19.033 -19.925 -18.612 695 HE3 MET 4 2HE MET 4 -18.386 -18.403 -19.228 696 H ALA 5 H ALA 5 -17.578 -18.035 -12.596 697 HA ALA 5 HA ALA 5 -17.289 -17.527 -10.404 698 HB1 ALA 5 3HB ALA 5 -18.328 -18.931 -8.708 699 HB2 ALA 5 1HB ALA 5 -18.539 -20.223 -9.891 700 HB3 ALA 5 2HB ALA 5 -19.411 -18.703 -10.081 701 H GLU 6 H GLU 6 -15.179 -18.648 -11.857 702 HA GLU 6 HA GLU 6 -13.785 -20.666 -10.463 703 HB2 GLU 6 2HB GLU 6 -11.780 -19.750 -11.710 704 HB3 GLU 6 3HB GLU 6 -13.141 -20.240 -12.705 705 HG2 GLU 6 2HG GLU 6 -13.842 -17.858 -12.819 706 HG3 GLU 6 3HG GLU 6 -12.367 -17.431 -11.955 707 H PHE 7 H PHE 7 -13.293 -17.142 -10.470 708 HA PHE 7 HA PHE 7 -12.731 -17.242 -7.623 709 HB2 PHE 7 2HB PHE 7 -10.789 -16.222 -9.682 710 HB3 PHE 7 3HB PHE 7 -10.802 -15.574 -8.045 711 HD1 PHE 7 HD1 PHE 7 -10.398 -17.142 -6.122 712 HD2 PHE 7 HD2 PHE 7 -9.729 -18.258 -10.176 713 HE1 PHE 7 HE1 PHE 7 -8.964 -18.994 -5.372 714 HE2 PHE 7 HE2 PHE 7 -8.296 -20.115 -9.430 715 HZ PHE 7 HZ PHE 7 -7.912 -20.485 -7.027 716 H THR 8 H THR 8 -14.448 -16.071 -7.054 717 HA THR 8 HA THR 8 -14.934 -13.520 -8.419 718 HB THR 8 HB THR 8 -16.687 -14.853 -6.344 719 HG1 THR 8 HG1 THR 8 -16.792 -16.290 -7.972 720 HG21 THR 8 3HG2 THR 8 -17.247 -12.763 -8.454 721 HG22 THR 8 1HG2 THR 8 -17.106 -12.471 -6.720 722 HG23 THR 8 2HG2 THR 8 -18.435 -13.449 -7.344 723 H PHE 9 H PHE 9 -14.139 -11.747 -7.522 724 HA PHE 9 HA PHE 9 -13.343 -11.856 -4.705 725 HB2 PHE 9 2HB PHE 9 -11.891 -9.859 -5.341 726 HB3 PHE 9 3HB PHE 9 -11.434 -11.418 -6.012 727 HD1 PHE 9 HD2 PHE 9 -11.728 -11.887 -8.383 728 HD2 PHE 9 HD1 PHE 9 -12.664 -8.068 -6.752 729 HE1 PHE 9 HE2 PHE 9 -11.740 -10.926 -10.647 730 HE2 PHE 9 HE1 PHE 9 -12.665 -7.097 -9.013 731 HZ PHE 9 HZ PHE 9 -12.204 -8.529 -10.965 732 H GLU 10 H GLU 10 -14.346 -10.679 -3.256 733 HA GLU 10 HA GLU 10 -15.912 -8.353 -4.150 734 HB2 GLU 10 2HB GLU 10 -16.778 -10.378 -2.077 735 HB3 GLU 10 3HB GLU 10 -17.666 -8.934 -2.541 736 HG2 GLU 10 2HG GLU 10 -17.878 -9.837 -4.826 737 HG3 GLU 10 3HG GLU 10 -17.072 -11.310 -4.289 738 H ILE 11 H ILE 11 -16.048 -6.635 -2.691 739 HA ILE 11 HA ILE 11 -13.885 -6.559 -0.743 740 HB ILE 11 HB ILE 11 -15.723 -4.353 -1.692 741 HG12 ILE 11 2HG1 ILE 11 -12.837 -4.930 -2.400 742 HG13 ILE 11 3HG1 ILE 11 -14.219 -5.247 -3.445 743 HG21 ILE 11 1HG2 ILE 11 -14.881 -3.915 0.548 744 HG22 ILE 11 2HG2 ILE 11 -14.120 -2.834 -0.621 745 HG23 ILE 11 3HG2 ILE 11 -13.232 -4.224 0.004 746 HD11 ILE 11 3HD1 ILE 11 -13.093 -3.208 -4.096 747 HD12 ILE 11 1HD1 ILE 11 -13.307 -2.549 -2.473 748 HD13 ILE 11 2HD1 ILE 11 -14.712 -2.851 -3.496 749 H GLU 12 H GLU 12 -14.341 -7.262 1.238 750 HA GLU 12 HA GLU 12 -17.041 -7.284 2.252 751 HB2 GLU 12 2HB GLU 12 -14.482 -7.947 3.710 752 HB3 GLU 12 3HB GLU 12 -16.112 -8.343 4.226 753 HG2 GLU 12 2HG GLU 12 -16.325 -9.763 2.187 754 HG3 GLU 12 3HG GLU 12 -14.611 -9.472 1.885 755 H GLU 13 H GLU 13 -13.996 -5.726 3.209 756 HA GLU 13 HA GLU 13 -15.568 -3.867 4.862 757 HB2 GLU 13 2HB GLU 13 -13.781 -5.706 5.811 758 HB3 GLU 13 3HB GLU 13 -12.751 -4.296 5.615 759 HG2 GLU 13 2HG GLU 13 -15.317 -4.342 7.188 760 HG3 GLU 13 3HG GLU 13 -13.705 -4.519 7.877 761 H HIS 14 H HIS 14 -15.343 -1.806 4.424 762 HA HIS 14 HA HIS 14 -13.316 -0.942 2.496 763 HB2 HIS 14 2HB HIS 14 -15.807 -0.398 2.271 764 HB3 HIS 14 3HB HIS 14 -15.595 0.683 3.641 765 HD1 HIS 14 HD1 HIS 14 -14.744 2.996 3.152 766 HD2 HIS 14 HD2 HIS 14 -14.338 0.394 -0.072 767 HE1 HIS 14 HE1 HIS 14 -14.041 4.427 1.205 768 HE2 HIS 14 HE2 HIS 14 -13.651 2.813 -0.697 769 H LEU 15 H LEU 15 -11.463 -0.798 3.742 770 HA LEU 15 HA LEU 15 -11.329 -0.096 6.422 771 HB2 LEU 15 2HB LEU 15 -9.198 0.161 4.306 772 HB3 LEU 15 3HB LEU 15 -8.908 0.246 6.032 773 HG LEU 15 HG LEU 15 -10.008 -2.166 4.590 774 HD11 LEU 15 1HD1 LEU 15 -7.691 -1.700 3.969 775 HD12 LEU 15 2HD1 LEU 15 -7.814 -3.149 4.965 776 HD13 LEU 15 3HD1 LEU 15 -7.245 -1.637 5.674 777 HD21 LEU 15 3HD2 LEU 15 -10.734 -2.004 6.919 778 HD22 LEU 15 1HD2 LEU 15 -9.058 -1.806 7.430 779 HD23 LEU 15 2HD2 LEU 15 -9.582 -3.323 6.702 780 H LEU 16 H LEU 16 -9.820 1.979 3.946 781 HA LEU 16 HA LEU 16 -11.263 4.293 4.869 782 HB2 LEU 16 2HB LEU 16 -9.411 5.554 5.703 783 HB3 LEU 16 3HB LEU 16 -9.488 4.046 6.592 784 HG LEU 16 HG LEU 16 -7.712 3.848 4.299 785 HD11 LEU 16 1HD1 LEU 16 -5.958 5.301 5.176 786 HD12 LEU 16 2HD1 LEU 16 -7.058 5.889 6.422 787 HD13 LEU 16 3HD1 LEU 16 -7.385 6.234 4.724 788 HD21 LEU 16 3HD2 LEU 16 -7.785 2.256 6.154 789 HD22 LEU 16 1HD2 LEU 16 -7.293 3.533 7.268 790 HD23 LEU 16 2HD2 LEU 16 -6.189 2.994 6.002 791 H THR 17 H THR 17 -10.865 6.156 3.603 792 HA THR 17 HA THR 17 -9.862 5.541 0.934 793 HB THR 17 HB THR 17 -11.260 8.027 1.965 794 HG1 THR 17 HG1 THR 17 -12.294 5.765 0.533 795 HG21 THR 17 3HG2 THR 17 -10.748 7.058 -0.853 796 HG22 THR 17 1HG2 THR 17 -9.966 8.433 -0.070 797 HG23 THR 17 2HG2 THR 17 -11.696 8.480 -0.413 798 H LEU 18 H LEU 18 -7.976 6.363 0.131 799 HA LEU 18 HA LEU 18 -6.283 7.873 1.945 800 HB2 LEU 18 2HB LEU 18 -5.727 6.865 -0.848 801 HB3 LEU 18 3HB LEU 18 -4.544 7.565 0.240 802 HG LEU 18 HG LEU 18 -6.024 4.968 0.667 803 HD11 LEU 18 1HD1 LEU 18 -4.342 4.834 -1.081 804 HD12 LEU 18 2HD1 LEU 18 -3.827 3.948 0.354 805 HD13 LEU 18 3HD1 LEU 18 -3.140 5.533 0.004 806 HD21 LEU 18 3HD2 LEU 18 -5.595 6.069 2.787 807 HD22 LEU 18 1HD2 LEU 18 -3.905 6.317 2.342 808 HD23 LEU 18 2HD2 LEU 18 -4.521 4.683 2.589 809 H SER 19 H SER 19 -7.632 8.247 -1.315 810 HA SER 19 HA SER 19 -8.102 11.034 -0.884 811 HB2 SER 19 2HB SER 19 -5.599 10.810 -1.529 812 HB3 SER 19 3HB SER 19 -6.202 10.432 -3.143 813 HG SER 19 HG SER 19 -6.334 12.826 -1.679 814 H GLU 20 H GLU 20 -9.354 11.965 -2.632 815 HA GLU 20 HA GLU 20 -10.425 9.964 -4.499 816 HB2 GLU 20 2HB GLU 20 -11.991 10.211 -2.632 817 HB3 GLU 20 3HB GLU 20 -12.039 11.950 -2.888 818 HG2 GLU 20 2HG GLU 20 -13.163 11.709 -4.952 819 HG3 GLU 20 3HG GLU 20 -12.874 9.970 -4.983 820 H ASN 21 H ASN 21 -10.378 10.601 -6.543 821 HA ASN 21 HA ASN 21 -10.109 13.482 -7.113 822 HB2 ASN 21 2HB ASN 21 -8.824 11.068 -8.338 823 HB3 ASN 21 3HB ASN 21 -9.087 12.498 -9.329 824 HD21 ASN 21 1HD2 ASN 21 -8.438 12.773 -5.923 825 HD22 ASN 21 2HD2 ASN 21 -6.840 13.418 -6.086 826 H GLU 22 H GLU 22 -11.181 14.333 -8.879 827 HA GLU 22 HA GLU 22 -12.772 14.649 -10.423 828 HB2 GLU 22 2HB GLU 22 -11.528 12.755 -11.498 829 HB3 GLU 22 3HB GLU 22 -12.707 11.652 -10.814 830 HG2 GLU 22 2HG GLU 22 -13.228 12.127 -13.112 831 HG3 GLU 22 3HG GLU 22 -14.472 12.793 -12.054 832 H LYS 23 H LYS 23 -14.211 11.539 -9.967 833 HA LYS 23 HA LYS 23 -15.865 12.172 -7.742 834 HB2 LYS 23 2HB LYS 23 -18.024 12.173 -8.912 835 HB3 LYS 23 3HB LYS 23 -17.038 13.538 -9.414 836 HG2 LYS 23 2HG LYS 23 -16.538 12.523 -11.501 837 HG3 LYS 23 3HG LYS 23 -17.226 10.982 -10.986 838 HD2 LYS 23 2HD LYS 23 -18.754 13.557 -11.372 839 HD3 LYS 23 3HD LYS 23 -18.752 12.186 -12.481 840 HE2 LYS 23 2HE LYS 23 -19.707 10.772 -10.715 841 HE3 LYS 23 3HE LYS 23 -19.727 12.158 -9.626 842 HZ1 LYS 23 3HZ LYS 23 -21.265 11.878 -12.153 843 HZ2 LYS 23 1HZ LYS 23 -21.233 13.276 -11.194 844 HZ3 LYS 23 2HZ LYS 23 -21.892 11.840 -10.581 845 H GLY 24 H GLY 24 -14.056 10.147 -8.841 846 HA2 GLY 24 2HA GLY 24 -15.447 7.760 -8.299 847 HA3 GLY 24 3HA GLY 24 -15.354 7.986 -10.042 848 H TRP 25 H TRP 25 -12.713 9.428 -9.658 849 HA TRP 25 HA TRP 25 -11.037 7.085 -9.720 850 HB2 TRP 25 2HB TRP 25 -10.392 10.036 -9.958 851 HB3 TRP 25 3HB TRP 25 -9.192 8.753 -10.088 852 HD1 TRP 25 HD1 TRP 25 -12.337 10.051 -11.946 853 HE1 TRP 25 HE1 TRP 25 -12.138 9.353 -14.415 854 HE3 TRP 25 HE3 TRP 25 -8.079 7.246 -11.640 855 HZ2 TRP 25 HZ2 TRP 25 -10.389 7.815 -16.020 856 HZ3 TRP 25 HZ3 TRP 25 -7.203 6.192 -13.677 857 HH2 TRP 25 HH2 TRP 25 -8.337 6.472 -15.828 858 H THR 26 H THR 26 -11.364 6.339 -7.589 859 HA THR 26 HA THR 26 -10.268 8.070 -5.479 860 HB THR 26 HB THR 26 -12.097 5.679 -5.167 861 HG1 THR 26 HG1 THR 26 -13.266 8.005 -4.532 862 HG21 THR 26 3HG2 THR 26 -11.323 7.861 -3.225 863 HG22 THR 26 1HG2 THR 26 -10.752 6.192 -3.181 864 HG23 THR 26 2HG2 THR 26 -12.458 6.549 -2.912 865 H LYS 27 H LYS 27 -8.578 7.388 -4.274 866 HA LYS 27 HA LYS 27 -7.544 4.677 -4.800 867 HB2 LYS 27 2HB LYS 27 -6.077 6.569 -5.581 868 HB3 LYS 27 3HB LYS 27 -5.947 7.088 -3.908 869 HG2 LYS 27 2HG LYS 27 -5.020 4.815 -3.381 870 HG3 LYS 27 3HG LYS 27 -4.948 4.526 -5.119 871 HD2 LYS 27 2HD LYS 27 -3.561 6.765 -3.649 872 HD3 LYS 27 3HD LYS 27 -2.795 5.286 -4.221 873 HE2 LYS 27 2HE LYS 27 -3.296 5.884 -6.519 874 HE3 LYS 27 3HE LYS 27 -4.154 7.327 -5.977 875 HZ1 LYS 27 3HZ LYS 27 -1.982 7.966 -6.661 876 HZ2 LYS 27 1HZ LYS 27 -1.247 6.772 -5.709 877 HZ3 LYS 27 2HZ LYS 27 -2.029 8.086 -4.970 878 H GLU 28 H GLU 28 -7.527 3.356 -3.096 879 HA GLU 28 HA GLU 28 -7.270 4.320 -0.411 880 HB2 GLU 28 2HB GLU 28 -9.553 3.411 0.257 881 HB3 GLU 28 3HB GLU 28 -9.527 4.953 -0.584 882 HG2 GLU 28 2HG GLU 28 -10.049 3.745 -2.693 883 HG3 GLU 28 3HG GLU 28 -10.231 2.268 -1.745 884 H ILE 29 H ILE 29 -8.223 2.337 1.062 885 HA ILE 29 HA ILE 29 -6.998 -0.101 -0.045 886 HB ILE 29 HB ILE 29 -6.688 0.836 2.816 887 HG12 ILE 29 2HG1 ILE 29 -4.657 0.905 0.570 888 HG13 ILE 29 3HG1 ILE 29 -5.493 2.312 1.212 889 HG21 ILE 29 1HG2 ILE 29 -5.333 -1.389 1.289 890 HG22 ILE 29 2HG2 ILE 29 -6.606 -1.594 2.490 891 HG23 ILE 29 3HG2 ILE 29 -5.036 -0.954 2.971 892 HD11 ILE 29 3HD1 ILE 29 -3.247 2.146 2.101 893 HD12 ILE 29 1HD1 ILE 29 -3.602 0.537 2.730 894 HD13 ILE 29 2HD1 ILE 29 -4.445 1.941 3.382 895 H ASN 30 H ASN 30 -8.113 -1.940 0.297 896 HA ASN 30 HA ASN 30 -10.355 -1.929 2.186 897 HB2 ASN 30 2HB ASN 30 -11.695 -3.071 0.262 898 HB3 ASN 30 3HB ASN 30 -11.549 -1.316 0.280 899 HD21 ASN 30 1HD2 ASN 30 -10.387 -4.263 -1.230 900 HD22 ASN 30 2HD2 ASN 30 -9.743 -3.505 -2.645 901 H ARG 31 H ARG 31 -11.415 -4.209 2.176 902 HA ARG 31 HA ARG 31 -9.283 -6.237 1.953 903 HB2 ARG 31 2HB ARG 31 -11.702 -6.170 3.769 904 HB3 ARG 31 3HB ARG 31 -10.643 -7.561 3.596 905 HG2 ARG 31 2HG ARG 31 -8.753 -6.096 4.344 906 HG3 ARG 31 3HG ARG 31 -9.959 -4.862 4.722 907 HD2 ARG 31 2HD ARG 31 -9.427 -6.104 6.722 908 HD3 ARG 31 3HD ARG 31 -11.079 -6.469 6.229 909 HE ARG 31 HE ARG 31 -9.053 -8.325 5.291 910 HH11 ARG 31 1HH1 ARG 31 -11.424 -7.576 7.750 911 HH12 ARG 31 2HH1 ARG 31 -11.577 -9.218 8.296 912 HH21 ARG 31 1HH2 ARG 31 -9.231 -10.481 5.999 913 HH22 ARG 31 2HH2 ARG 31 -10.324 -10.880 7.292 914 H VAL 32 H VAL 32 -9.593 -7.973 0.682 915 HA VAL 32 HA VAL 32 -12.220 -8.230 -0.644 916 HB VAL 32 HB VAL 32 -9.511 -8.442 -1.984 917 HG11 VAL 32 1HG1 VAL 32 -10.782 -8.671 -4.062 918 HG12 VAL 32 2HG1 VAL 32 -12.285 -8.685 -3.139 919 HG13 VAL 32 3HG1 VAL 32 -11.119 -9.994 -2.944 920 HG21 VAL 32 3HG2 VAL 32 -10.136 -6.130 -1.485 921 HG22 VAL 32 1HG2 VAL 32 -11.671 -6.368 -2.319 922 HG23 VAL 32 2HG2 VAL 32 -10.157 -6.454 -3.220 923 H SER 33 H SER 33 -13.017 -10.236 -0.756 924 HA SER 33 HA SER 33 -11.265 -12.489 -0.047 925 HB2 SER 33 2HB SER 33 -14.284 -12.256 0.028 926 HB3 SER 33 3HB SER 33 -13.377 -13.710 0.440 927 HG SER 33 HG SER 33 -14.062 -12.030 2.150 928 H PHE 34 H PHE 34 -10.932 -14.116 -1.467 929 HA PHE 34 HA PHE 34 -12.180 -13.882 -4.115 930 HB2 PHE 34 2HB PHE 34 -9.707 -15.419 -3.266 931 HB3 PHE 34 3HB PHE 34 -10.315 -15.285 -4.912 932 HD1 PHE 34 HD1 PHE 34 -8.624 -13.538 -2.174 933 HD2 PHE 34 HD2 PHE 34 -10.022 -13.265 -6.187 934 HE1 PHE 34 HE1 PHE 34 -7.292 -11.495 -2.493 935 HE2 PHE 34 HE2 PHE 34 -8.689 -11.221 -6.514 936 HZ PHE 34 HZ PHE 34 -7.327 -10.331 -4.665 937 H ASN 35 H ASN 35 -14.050 -14.979 -4.004 938 HA ASN 35 HA ASN 35 -15.554 -16.666 -3.802 939 HB2 ASN 35 2HB ASN 35 -13.115 -18.430 -3.486 940 HB3 ASN 35 3HB ASN 35 -14.765 -19.030 -3.604 941 HD21 ASN 35 1HD2 ASN 35 -12.492 -19.526 -5.322 942 HD22 ASN 35 2HD2 ASN 35 -12.959 -19.004 -6.910 943 H GLY 36 H GLY 36 -12.941 -17.253 -1.477 944 HA2 GLY 36 2HA GLY 36 -14.641 -16.641 0.752 945 HA3 GLY 36 3HA GLY 36 -14.271 -18.358 0.618 946 H ALA 37 H ALA 37 -13.098 -18.264 2.587 947 HA ALA 37 HA ALA 37 -11.144 -18.344 3.741 948 HB1 ALA 37 3HB ALA 37 -10.061 -19.001 1.661 949 HB2 ALA 37 1HB ALA 37 -9.010 -17.938 2.596 950 HB3 ALA 37 2HB ALA 37 -9.880 -17.309 1.197 951 HA PRO 38 HA PRO 38 -10.466 -14.428 5.750 952 HB2 PRO 38 2HB PRO 38 -7.655 -14.266 5.642 953 HB3 PRO 38 3HB PRO 38 -8.623 -14.938 6.955 954 HG2 PRO 38 2HG PRO 38 -7.239 -16.325 4.717 955 HG3 PRO 38 3HG PRO 38 -7.500 -16.865 6.387 956 HD2 PRO 38 2HD PRO 38 -8.927 -17.882 4.377 957 HD3 PRO 38 3HD PRO 38 -9.678 -17.557 5.951 958 H ALA 39 H ALA 39 -10.859 -12.542 4.857 959 HA ALA 39 HA ALA 39 -10.191 -11.880 2.199 960 HB1 ALA 39 3HB ALA 39 -11.174 -9.716 2.678 961 HB2 ALA 39 1HB ALA 39 -11.101 -10.045 4.410 962 HB3 ALA 39 2HB ALA 39 -12.166 -10.996 3.377 963 H LYS 40 H LYS 40 -8.332 -11.157 1.416 964 HA LYS 40 HA LYS 40 -6.313 -10.167 3.250 965 HB2 LYS 40 2HB LYS 40 -6.238 -10.793 0.301 966 HB3 LYS 40 3HB LYS 40 -4.892 -10.049 1.152 967 HG2 LYS 40 2HG LYS 40 -5.014 -12.053 2.731 968 HG3 LYS 40 3HG LYS 40 -6.036 -12.798 1.500 969 HD2 LYS 40 2HD LYS 40 -4.271 -12.584 -0.144 970 HD3 LYS 40 3HD LYS 40 -3.259 -11.721 1.017 971 HE2 LYS 40 2HE LYS 40 -3.388 -13.775 2.477 972 HE3 LYS 40 3HE LYS 40 -4.135 -14.604 1.112 973 HZ1 LYS 40 3HZ LYS 40 -1.448 -13.331 1.088 974 HZ2 LYS 40 1HZ LYS 40 -2.158 -14.174 -0.202 975 HZ3 LYS 40 2HZ LYS 40 -1.740 -14.992 1.223 976 H PHE 41 H PHE 41 -4.990 -8.244 2.335 977 HA PHE 41 HA PHE 41 -6.947 -6.088 2.135 978 HB2 PHE 41 2HB PHE 41 -3.987 -5.957 2.751 979 HB3 PHE 41 3HB PHE 41 -5.145 -4.640 2.901 980 HD1 PHE 41 HD1 PHE 41 -3.946 -7.773 4.362 981 HD2 PHE 41 HD2 PHE 41 -6.707 -4.558 4.745 982 HE1 PHE 41 HE1 PHE 41 -4.411 -8.454 6.681 983 HE2 PHE 41 HE2 PHE 41 -7.175 -5.231 7.064 984 HZ PHE 41 HZ PHE 41 -6.026 -7.179 8.034 985 H ASP 42 H ASP 42 -6.802 -4.466 0.584 986 HA ASP 42 HA ASP 42 -4.995 -4.948 -1.670 987 HB2 ASP 42 2HB ASP 42 -7.016 -6.161 -2.229 988 HB3 ASP 42 3HB ASP 42 -8.009 -4.768 -1.825 989 H ILE 43 H ILE 43 -4.028 -3.127 -2.202 990 HA ILE 43 HA ILE 43 -5.312 -0.552 -1.565 991 HB ILE 43 HB ILE 43 -2.426 -1.078 -2.309 992 HG12 ILE 43 2HG1 ILE 43 -3.626 -0.583 0.429 993 HG13 ILE 43 3HG1 ILE 43 -3.012 -2.128 -0.150 994 HG21 ILE 43 1HG2 ILE 43 -3.148 1.171 -2.837 995 HG22 ILE 43 2HG2 ILE 43 -2.061 1.204 -1.446 996 HG23 ILE 43 3HG2 ILE 43 -3.803 1.372 -1.213 997 HD11 ILE 43 3HD1 ILE 43 -1.419 -1.019 1.313 998 HD12 ILE 43 1HD1 ILE 43 -1.390 0.375 0.235 999 HD13 ILE 43 2HD1 ILE 43 -0.776 -1.180 -0.322 1000 H ARG 44 H ARG 44 -6.310 0.405 -3.267 1001 HA ARG 44 HA ARG 44 -5.186 -0.024 -5.939 1002 HB2 ARG 44 2HB ARG 44 -7.248 -0.827 -6.854 1003 HB3 ARG 44 3HB ARG 44 -6.841 -1.830 -5.468 1004 HG2 ARG 44 2HG ARG 44 -8.407 -0.411 -4.107 1005 HG3 ARG 44 3HG ARG 44 -8.931 0.328 -5.621 1006 HD2 ARG 44 2HD ARG 44 -9.112 -2.584 -4.868 1007 HD3 ARG 44 3HD ARG 44 -10.451 -1.447 -4.998 1008 HE ARG 44 HE ARG 44 -10.168 -1.455 -7.371 1009 HH11 ARG 44 1HH1 ARG 44 -8.184 -3.781 -5.665 1010 HH12 ARG 44 2HH1 ARG 44 -7.965 -4.805 -7.060 1011 HH21 ARG 44 1HH2 ARG 44 -9.900 -2.824 -9.218 1012 HH22 ARG 44 2HH2 ARG 44 -8.924 -4.261 -9.070 1013 H ALA 45 H ALA 45 -6.020 1.350 -7.566 1014 HA ALA 45 HA ALA 45 -7.633 3.627 -6.614 1015 HB1 ALA 45 3HB ALA 45 -6.700 4.922 -8.488 1016 HB2 ALA 45 1HB ALA 45 -5.711 3.536 -8.951 1017 HB3 ALA 45 2HB ALA 45 -5.425 4.347 -7.411 1018 H TRP 46 H TRP 46 -9.693 3.419 -7.258 1019 HA TRP 46 HA TRP 46 -10.170 1.847 -9.693 1020 HB2 TRP 46 2HB TRP 46 -12.445 1.410 -8.803 1021 HB3 TRP 46 3HB TRP 46 -11.166 0.755 -7.795 1022 HD1 TRP 46 HD1 TRP 46 -10.843 1.829 -5.363 1023 HE1 TRP 46 HE1 TRP 46 -12.430 3.221 -3.881 1024 HE3 TRP 46 HE3 TRP 46 -14.250 3.228 -8.913 1025 HZ2 TRP 46 HZ2 TRP 46 -14.785 4.722 -4.191 1026 HZ3 TRP 46 HZ3 TRP 46 -16.142 4.646 -8.232 1027 HH2 TRP 46 HH2 TRP 46 -16.401 5.375 -5.918 1028 H SER 47 H SER 47 -12.362 2.463 -10.735 1029 HA SER 47 HA SER 47 -12.782 5.326 -10.851 1030 HB2 SER 47 2HB SER 47 -11.772 3.862 -13.306 1031 HB3 SER 47 3HB SER 47 -12.040 5.596 -13.125 1032 HG SER 47 HG SER 47 -10.383 5.045 -11.238 1033 HA PRO 48 HA PRO 48 -16.753 4.059 -12.623 1034 HB2 PRO 48 2HB PRO 48 -16.908 5.601 -14.913 1035 HB3 PRO 48 3HB PRO 48 -17.351 6.164 -13.299 1036 HG2 PRO 48 2HG PRO 48 -14.813 6.578 -14.824 1037 HG3 PRO 48 3HG PRO 48 -15.714 7.725 -13.810 1038 HD2 PRO 48 2HD PRO 48 -13.501 6.511 -12.909 1039 HD3 PRO 48 3HD PRO 48 -14.883 6.823 -11.837 1040 H ASP 49 H ASP 49 -13.905 4.197 -14.620 1041 HA ASP 49 HA ASP 49 -14.610 1.638 -15.807 1042 HB2 ASP 49 2HB ASP 49 -15.374 3.061 -17.557 1043 HB3 ASP 49 3HB ASP 49 -13.980 4.125 -17.400 1044 H HIS 50 H HIS 50 -12.993 0.449 -15.016 1045 HA HIS 50 HA HIS 50 -10.339 1.652 -14.767 1046 HB2 HIS 50 2HB HIS 50 -11.250 0.505 -12.797 1047 HB3 HIS 50 3HB HIS 50 -11.394 -0.985 -13.720 1048 HD1 HIS 50 HD1 HIS 50 -9.607 -2.564 -13.134 1049 HD2 HIS 50 HD2 HIS 50 -8.280 1.375 -12.986 1050 HE1 HIS 50 HE1 HIS 50 -7.177 -2.691 -12.499 1051 HE2 HIS 50 HE2 HIS 50 -6.351 -0.314 -12.651 1052 H THR 51 H THR 51 -10.604 1.474 -17.300 1053 HA THR 51 HA THR 51 -8.858 -0.803 -17.956 1054 HB THR 51 HB THR 51 -9.704 -0.698 -20.296 1055 HG1 THR 51 HG1 THR 51 -11.981 0.696 -19.403 1056 HG21 THR 51 3HG2 THR 51 -11.830 -1.839 -19.858 1057 HG22 THR 51 1HG2 THR 51 -11.795 -1.255 -18.194 1058 HG23 THR 51 2HG2 THR 51 -10.562 -2.382 -18.759 1059 H LYS 52 H LYS 52 -9.320 2.538 -17.830 1060 HA LYS 52 HA LYS 52 -7.618 3.352 -19.958 1061 HB2 LYS 52 2HB LYS 52 -8.146 5.002 -17.503 1062 HB3 LYS 52 3HB LYS 52 -7.932 5.539 -19.162 1063 HG2 LYS 52 2HG LYS 52 -10.113 4.577 -19.746 1064 HG3 LYS 52 3HG LYS 52 -10.329 4.078 -18.066 1065 HD2 LYS 52 2HD LYS 52 -9.987 6.538 -17.474 1066 HD3 LYS 52 3HD LYS 52 -10.207 6.862 -19.194 1067 HE2 LYS 52 2HE LYS 52 -12.179 5.578 -17.310 1068 HE3 LYS 52 3HE LYS 52 -12.305 7.163 -18.068 1069 HZ1 LYS 52 3HZ LYS 52 -13.682 5.671 -19.259 1070 HZ2 LYS 52 1HZ LYS 52 -12.448 4.516 -19.399 1071 HZ3 LYS 52 2HZ LYS 52 -12.337 5.985 -20.245 1072 H MET 53 H MET 53 -7.220 3.380 -16.428 1073 HA MET 53 HA MET 53 -4.519 2.491 -16.522 1074 HB2 MET 53 2HB MET 53 -3.463 4.521 -15.636 1075 HB3 MET 53 3HB MET 53 -4.138 4.807 -17.235 1076 HG2 MET 53 2HG MET 53 -6.103 5.859 -16.180 1077 HG3 MET 53 3HG MET 53 -5.345 5.640 -14.605 1078 HE1 MET 53 3HE MET 53 -3.059 6.807 -13.900 1079 HE2 MET 53 1HE MET 53 -2.168 7.928 -14.929 1080 HE3 MET 53 2HE MET 53 -2.258 6.219 -15.357 1081 H GLY 54 H GLY 54 -3.526 2.918 -14.192 1082 HA2 GLY 54 2HA GLY 54 -4.005 3.216 -11.852 1083 HA3 GLY 54 3HA GLY 54 -5.679 2.798 -12.182 1084 H LYS 55 H LYS 55 -3.462 1.679 -10.382 1085 HA LYS 55 HA LYS 55 -3.742 -1.122 -11.247 1086 HB2 LYS 55 2HB LYS 55 -1.396 0.149 -9.829 1087 HB3 LYS 55 3HB LYS 55 -1.576 -1.574 -10.110 1088 HG2 LYS 55 2HG LYS 55 -1.599 -1.114 -12.552 1089 HG3 LYS 55 3HG LYS 55 -1.244 0.578 -12.187 1090 HD2 LYS 55 2HD LYS 55 0.792 -0.174 -10.972 1091 HD3 LYS 55 3HD LYS 55 0.456 -1.819 -11.507 1092 HE2 LYS 55 2HE LYS 55 0.611 -1.055 -13.848 1093 HE3 LYS 55 3HE LYS 55 1.029 0.557 -13.270 1094 HZ1 LYS 55 3HZ LYS 55 2.978 -0.416 -12.171 1095 HZ2 LYS 55 1HZ LYS 55 3.017 -0.648 -13.850 1096 HZ3 LYS 55 2HZ LYS 55 2.593 -1.930 -12.827 1097 H GLY 56 H GLY 56 -3.106 -2.575 -9.256 1098 HA2 GLY 56 2HA GLY 56 -3.992 -1.560 -6.698 1099 HA3 GLY 56 3HA GLY 56 -5.056 -2.752 -7.435 1100 H ILE 57 H ILE 57 -3.176 -2.772 -5.024 1101 HA ILE 57 HA ILE 57 -1.712 -5.205 -5.802 1102 HB ILE 57 HB ILE 57 -0.077 -3.445 -5.659 1103 HG12 ILE 57 2HG1 ILE 57 0.039 -5.170 -3.173 1104 HG13 ILE 57 3HG1 ILE 57 0.549 -5.663 -4.786 1105 HG21 ILE 57 1HG2 ILE 57 -1.149 -2.898 -2.897 1106 HG22 ILE 57 2HG2 ILE 57 -1.275 -1.844 -4.305 1107 HG23 ILE 57 3HG2 ILE 57 0.304 -2.172 -3.589 1108 HD11 ILE 57 3HD1 ILE 57 1.776 -3.477 -3.122 1109 HD12 ILE 57 1HD1 ILE 57 2.276 -3.925 -4.753 1110 HD13 ILE 57 2HD1 ILE 57 2.455 -5.077 -3.429 1111 H THR 58 H THR 58 -2.088 -6.905 -4.586 1112 HA THR 58 HA THR 58 -3.722 -6.628 -2.208 1113 HB THR 58 HB THR 58 -3.653 -9.200 -2.349 1114 HG1 THR 58 HG1 THR 58 -1.864 -9.311 -3.796 1115 HG21 THR 58 3HG2 THR 58 -4.893 -7.623 -4.612 1116 HG22 THR 58 1HG2 THR 58 -5.592 -7.848 -3.008 1117 HG23 THR 58 2HG2 THR 58 -5.381 -9.232 -4.078 1118 H LEU 59 H LEU 59 -3.071 -6.968 -0.190 1119 HA LEU 59 HA LEU 59 -0.316 -7.920 0.268 1120 HB2 LEU 59 2HB LEU 59 -1.892 -5.889 1.858 1121 HB3 LEU 59 3HB LEU 59 -0.305 -6.495 2.291 1122 HG LEU 59 HG LEU 59 -0.950 -4.868 -0.173 1123 HD11 LEU 59 1HD1 LEU 59 -1.080 -3.550 1.864 1124 HD12 LEU 59 2HD1 LEU 59 0.365 -3.126 0.948 1125 HD13 LEU 59 3HD1 LEU 59 0.496 -4.153 2.377 1126 HD21 LEU 59 3HD2 LEU 59 0.872 -6.420 -0.577 1127 HD22 LEU 59 1HD2 LEU 59 1.676 -5.888 0.900 1128 HD23 LEU 59 2HD2 LEU 59 1.485 -4.771 -0.453 1129 H SER 60 H SER 60 -0.033 -9.509 1.746 1130 HA SER 60 HA SER 60 -2.362 -10.868 2.752 1131 HB2 SER 60 2HB SER 60 0.551 -11.431 3.343 1132 HB3 SER 60 3HB SER 60 -0.806 -12.543 3.524 1133 HG SER 60 HG SER 60 0.472 -11.624 1.193 1134 H ASN 61 H ASN 61 -2.332 -11.593 5.114 1135 HA ASN 61 HA ASN 61 -2.694 -9.346 6.747 1136 HB2 ASN 61 2HB ASN 61 -3.770 -11.606 7.025 1137 HB3 ASN 61 3HB ASN 61 -2.247 -12.193 7.674 1138 HD21 ASN 61 1HD2 ASN 61 -4.921 -11.996 8.872 1139 HD22 ASN 61 2HD2 ASN 61 -4.704 -11.087 10.332 1140 H GLU 62 H GLU 62 -0.066 -11.732 6.635 1141 HA GLU 62 HA GLU 62 1.481 -10.739 8.738 1142 HB2 GLU 62 2HB GLU 62 2.501 -12.014 6.195 1143 HB3 GLU 62 3HB GLU 62 3.334 -11.946 7.741 1144 HG2 GLU 62 2HG GLU 62 1.613 -13.347 8.741 1145 HG3 GLU 62 3HG GLU 62 0.764 -13.409 7.196 1146 H GLU 63 H GLU 63 1.543 -9.933 5.293 1147 HA GLU 63 HA GLU 63 3.718 -8.151 5.362 1148 HB2 GLU 63 2HB GLU 63 1.338 -8.110 3.495 1149 HB3 GLU 63 3HB GLU 63 2.896 -7.347 3.210 1150 HG2 GLU 63 2HG GLU 63 3.968 -9.523 3.128 1151 HG3 GLU 63 3HG GLU 63 2.421 -10.308 3.460 1152 H PHE 64 H PHE 64 0.241 -7.670 5.654 1153 HA PHE 64 HA PHE 64 0.295 -4.845 5.653 1154 HB2 PHE 64 2HB PHE 64 -1.641 -6.630 5.319 1155 HB3 PHE 64 3HB PHE 64 -1.883 -6.337 7.038 1156 HD1 PHE 64 HD2 PHE 64 -1.609 -4.608 3.771 1157 HD2 PHE 64 HD1 PHE 64 -3.115 -4.509 7.744 1158 HE1 PHE 64 HE2 PHE 64 -2.922 -2.601 3.218 1159 HE2 PHE 64 HE1 PHE 64 -4.425 -2.505 7.203 1160 HZ PHE 64 HZ PHE 64 -4.331 -1.547 4.933 1161 H GLN 65 H GLN 65 0.253 -7.249 8.252 1162 HA GLN 65 HA GLN 65 0.071 -5.455 10.415 1163 HB2 GLN 65 2HB GLN 65 0.180 -8.191 10.115 1164 HB3 GLN 65 3HB GLN 65 1.724 -7.841 10.879 1165 HG2 GLN 65 2HG GLN 65 -0.994 -7.092 11.931 1166 HG3 GLN 65 3HG GLN 65 0.035 -8.390 12.526 1167 HE21 GLN 65 1HE2 GLN 65 -0.524 -4.976 12.465 1168 HE22 GLN 65 2HE2 GLN 65 0.635 -4.560 13.677 1169 H THR 66 H THR 66 2.846 -6.838 8.716 1170 HA THR 66 HA THR 66 4.910 -5.679 10.191 1171 HB THR 66 HB THR 66 4.867 -6.276 7.218 1172 HG1 THR 66 HG1 THR 66 4.391 -8.168 8.297 1173 HG21 THR 66 3HG2 THR 66 6.772 -4.898 7.848 1174 HG22 THR 66 1HG2 THR 66 7.304 -6.536 7.467 1175 HG23 THR 66 2HG2 THR 66 7.179 -6.019 9.149 1176 H MET 67 H MET 67 3.154 -4.495 7.360 1177 HA MET 67 HA MET 67 4.495 -2.114 6.877 1178 HB2 MET 67 2HB MET 67 2.825 -3.020 5.355 1179 HB3 MET 67 3HB MET 67 1.562 -2.788 6.552 1180 HG2 MET 67 2HG MET 67 3.117 -0.438 5.584 1181 HG3 MET 67 3HG MET 67 1.851 -1.125 4.575 1182 HE1 MET 67 3HE MET 67 -0.641 -0.933 4.969 1183 HE2 MET 67 1HE MET 67 -1.398 -0.450 6.487 1184 HE3 MET 67 2HE MET 67 -0.495 -1.962 6.391 1185 H VAL 68 H VAL 68 1.738 -2.718 8.998 1186 HA VAL 68 HA VAL 68 1.265 -0.037 9.665 1187 HB VAL 68 HB VAL 68 0.466 -2.607 11.003 1188 HG11 VAL 68 1HG1 VAL 68 -0.438 0.189 11.683 1189 HG12 VAL 68 2HG1 VAL 68 0.471 -0.901 12.731 1190 HG13 VAL 68 3HG1 VAL 68 -1.187 -1.299 12.269 1191 HG21 VAL 68 3HG2 VAL 68 -0.866 -0.638 9.174 1192 HG22 VAL 68 1HG2 VAL 68 -1.754 -1.875 10.059 1193 HG23 VAL 68 2HG2 VAL 68 -0.528 -2.344 8.882 1194 H ASP 69 H ASP 69 3.155 -2.529 11.390 1195 HA ASP 69 HA ASP 69 3.659 -0.817 13.623 1196 HB2 ASP 69 2HB ASP 69 3.792 -3.287 13.800 1197 HB3 ASP 69 3HB ASP 69 5.214 -3.270 12.762 1198 H ALA 70 H ALA 70 5.422 -1.615 10.676 1199 HA ALA 70 HA ALA 70 7.854 -0.383 11.321 1200 HB1 ALA 70 3HB ALA 70 8.319 -0.432 8.935 1201 HB2 ALA 70 1HB ALA 70 6.616 -0.750 8.597 1202 HB3 ALA 70 2HB ALA 70 7.581 -1.948 9.459 1203 H PHE 71 H PHE 71 4.984 0.876 9.640 1204 HA PHE 71 HA PHE 71 6.170 3.490 9.392 1205 HB2 PHE 71 2HB PHE 71 3.443 2.405 8.718 1206 HB3 PHE 71 3HB PHE 71 3.837 4.114 8.572 1207 HD1 PHE 71 HD1 PHE 71 6.261 4.434 7.363 1208 HD2 PHE 71 HD2 PHE 71 3.512 1.245 6.749 1209 HE1 PHE 71 HE1 PHE 71 7.227 4.033 5.136 1210 HE2 PHE 71 HE2 PHE 71 4.474 0.838 4.528 1211 HZ PHE 71 HZ PHE 71 6.332 2.228 3.720 1212 H LYS 72 H LYS 72 4.058 1.871 11.624 1213 HA LYS 72 HA LYS 72 2.881 3.888 13.063 1214 HB2 LYS 72 2HB LYS 72 2.595 1.547 13.640 1215 HB3 LYS 72 3HB LYS 72 4.293 1.411 14.071 1216 HG2 LYS 72 2HG LYS 72 3.728 3.232 15.831 1217 HG3 LYS 72 3HG LYS 72 2.061 2.716 15.561 1218 HD2 LYS 72 2HD LYS 72 4.366 0.957 16.398 1219 HD3 LYS 72 3HD LYS 72 3.039 1.497 17.427 1220 HE2 LYS 72 2HE LYS 72 1.452 0.239 16.140 1221 HE3 LYS 72 3HE LYS 72 2.680 -0.166 14.941 1222 HZ1 LYS 72 3HZ LYS 72 2.138 -1.942 16.618 1223 HZ2 LYS 72 1HZ LYS 72 2.902 -0.970 17.781 1224 HZ3 LYS 72 2HZ LYS 72 3.787 -1.562 16.456 1225 H GLY 73 H GLY 73 6.180 2.656 13.377 1226 HA2 GLY 73 2HA GLY 73 6.871 5.040 14.975 1227 HA3 GLY 73 3HA GLY 73 7.795 3.544 14.931 1228 H ASN 74 H ASN 74 6.507 5.369 12.179 1229 HA ASN 74 HA ASN 74 9.256 6.065 11.411 1230 HB2 ASN 74 2HB ASN 74 8.433 3.884 10.337 1231 HB3 ASN 74 3HB ASN 74 7.325 4.893 9.420 1232 HD21 ASN 74 1HD2 ASN 74 9.374 7.087 9.295 1233 HD22 ASN 74 2HD2 ASN 74 10.484 6.563 8.073 1234 H LEU 75 H LEU 75 5.982 6.274 9.952 1235 HA LEU 75 HA LEU 75 6.708 8.984 9.135 1236 HB2 LEU 75 2HB LEU 75 5.915 7.333 7.433 1237 HB3 LEU 75 3HB LEU 75 4.341 7.369 8.209 1238 HG LEU 75 HG LEU 75 4.177 9.792 7.716 1239 HD11 LEU 75 1HD1 LEU 75 6.570 10.286 7.649 1240 HD12 LEU 75 2HD1 LEU 75 5.757 10.815 6.177 1241 HD13 LEU 75 3HD1 LEU 75 6.723 9.341 6.166 1242 HD21 LEU 75 3HD2 LEU 75 3.192 8.153 6.197 1243 HD22 LEU 75 1HD2 LEU 75 4.712 8.058 5.307 1244 HD23 LEU 75 2HD2 LEU 75 3.790 9.561 5.319 1245 H GLU 76 H GLU 76 6.373 9.281 11.572 1246 HA GLU 76 HA GLU 76 4.294 11.169 11.748 1247 HB2 GLU 76 2HB GLU 76 3.144 8.844 12.259 1248 HB3 GLU 76 3HB GLU 76 3.929 9.024 13.820 1249 HG2 GLU 76 2HG GLU 76 2.135 11.137 12.658 1250 HG3 GLU 76 3HG GLU 76 1.532 9.811 13.646 1251 H HIS 77 H HIS 77 6.032 12.452 12.224 1252 HA HIS 77 HA HIS 77 7.264 12.104 14.833 1253 HB2 HIS 77 2HB HIS 77 9.559 12.322 13.907 1254 HB3 HIS 77 3HB HIS 77 8.770 10.825 13.433 1255 HD1 HIS 77 HD1 HIS 77 10.599 13.647 12.067 1256 HD2 HIS 77 HD2 HIS 77 7.754 10.951 10.664 1257 HE1 HIS 77 HE1 HIS 77 10.724 13.765 9.558 1258 HE2 HIS 77 HE2 HIS 77 9.124 12.002 8.733 1259 H HIS 78 H HIS 78 8.945 13.931 15.132 1260 HA HIS 78 HA HIS 78 9.344 16.132 15.418 1261 HB2 HIS 78 2HB HIS 78 9.272 16.148 12.860 1262 HB3 HIS 78 3HB HIS 78 7.626 16.752 13.018 1263 HD1 HIS 78 HD1 HIS 78 11.189 17.704 13.805 1264 HD2 HIS 78 HD2 HIS 78 7.420 19.449 13.549 1265 HE1 HIS 78 HE1 HIS 78 11.574 20.188 13.977 1266 HE2 HIS 78 HE2 HIS 78 9.273 21.220 13.943 1267 H HIS 79 H HIS 79 8.477 17.631 16.720 1268 HA HIS 79 HA HIS 79 5.990 17.260 17.915 1269 HB2 HIS 79 2HB HIS 79 7.975 18.642 18.750 1270 HB3 HIS 79 3HB HIS 79 7.391 19.932 17.707 1271 HD1 HIS 79 HD1 HIS 79 6.855 18.321 20.966 1272 HD2 HIS 79 HD2 HIS 79 4.855 21.026 18.520 1273 HE1 HIS 79 HE1 HIS 79 5.120 19.405 22.428 1274 HE2 HIS 79 HE2 HIS 79 3.804 20.906 20.884 1275 H HIS 80 H HIS 80 3.959 17.781 17.342 1276 HA HIS 80 HA HIS 80 3.379 18.653 14.730 1277 HB2 HIS 80 2HB HIS 80 1.596 18.567 17.174 1278 HB3 HIS 80 3HB HIS 80 1.023 18.838 15.533 1279 HD1 HIS 80 HD1 HIS 80 0.256 16.372 17.422 1280 HD2 HIS 80 HD2 HIS 80 3.000 16.341 14.292 1281 HE1 HIS 80 HE1 HIS 80 0.432 13.972 16.696 1282 HE2 HIS 80 HE2 HIS 80 2.244 13.944 14.940 1283 H HIS 81 H HIS 81 3.469 20.584 13.887 1284 HA HIS 81 HA HIS 81 4.281 22.806 15.436 1285 HB2 HIS 81 2HB HIS 81 4.234 24.054 13.296 1286 HB3 HIS 81 3HB HIS 81 5.124 22.544 13.195 1287 HD1 HIS 81 HD1 HIS 81 3.894 20.559 11.893 1288 HD2 HIS 81 HD2 HIS 81 2.188 24.333 11.489 1289 HE1 HIS 81 HE1 HIS 81 2.385 20.410 9.894 1290 HE2 HIS 81 HE2 HIS 81 1.556 22.757 9.531 1291 H HIS 82 H HIS 82 3.038 23.898 16.713 1292 HA HIS 82 HA HIS 82 1.332 25.096 17.579 1293 HB2 HIS 82 2HB HIS 82 1.396 25.886 14.711 1294 HB3 HIS 82 3HB HIS 82 0.046 26.451 15.692 1295 HD1 HIS 82 HD1 HIS 82 3.811 26.660 15.477 1296 HD2 HIS 82 HD2 HIS 82 0.632 28.531 17.399 1297 HE1 HIS 82 HE1 HIS 82 4.787 28.692 16.586 1298 HE2 HIS 82 HE2 HIS 82 2.886 29.699 17.901 Start of MODEL 3 1 H1 MET 1 1H MET 1 7.036 16.792 -31.626 2 H2 MET 1 2H MET 1 8.655 16.948 -32.107 3 H3 MET 1 3H MET 1 7.942 18.138 -31.131 4 HA MET 1 HA MET 1 7.645 16.491 -29.361 5 HB2 MET 1 2HB MET 1 9.480 14.775 -31.047 6 HB3 MET 1 3HB MET 1 8.786 14.364 -29.488 7 HG2 MET 1 2HG MET 1 7.290 14.717 -32.075 8 HG3 MET 1 3HG MET 1 7.659 13.192 -31.276 9 HE1 MET 1 3HE MET 1 3.759 13.592 -30.891 10 HE2 MET 1 1HE MET 1 5.054 12.556 -31.487 11 HE3 MET 1 2HE MET 1 4.750 14.116 -32.253 12 H LYS 2 H LYS 2 10.776 15.986 -30.945 13 HA LYS 2 HA LYS 2 12.858 16.752 -30.546 14 HB2 LYS 2 2HB LYS 2 11.710 18.882 -31.213 15 HB3 LYS 2 3HB LYS 2 11.512 19.240 -29.505 16 HG2 LYS 2 2HG LYS 2 13.875 19.399 -29.189 17 HG3 LYS 2 3HG LYS 2 14.183 18.801 -30.823 18 HD2 LYS 2 2HD LYS 2 13.038 20.786 -31.737 19 HD3 LYS 2 3HD LYS 2 12.802 21.385 -30.094 20 HE2 LYS 2 2HE LYS 2 15.483 20.837 -31.365 21 HE3 LYS 2 3HE LYS 2 14.724 22.424 -31.262 22 HZ1 LYS 2 3HZ LYS 2 16.195 22.311 -29.463 23 HZ2 LYS 2 1HZ LYS 2 15.731 20.735 -29.050 24 HZ3 LYS 2 2HZ LYS 2 14.670 22.029 -28.780 25 H LYS 3 H LYS 3 12.841 15.057 -28.866 26 HA LYS 3 HA LYS 3 14.144 16.063 -26.562 27 HB2 LYS 3 2HB LYS 3 12.633 15.090 -24.845 28 HB3 LYS 3 3HB LYS 3 11.927 16.455 -25.695 29 HG2 LYS 3 2HG LYS 3 10.432 15.108 -26.868 30 HG3 LYS 3 3HG LYS 3 11.360 13.645 -26.549 31 HD2 LYS 3 2HD LYS 3 10.792 13.901 -24.130 32 HD3 LYS 3 3HD LYS 3 9.720 15.229 -24.582 33 HE2 LYS 3 2HE LYS 3 8.265 13.830 -25.740 34 HE3 LYS 3 3HE LYS 3 9.467 12.549 -25.895 35 HZ1 LYS 3 3HZ LYS 3 9.290 12.185 -23.489 36 HZ2 LYS 3 1HZ LYS 3 7.814 11.936 -24.280 37 HZ3 LYS 3 2HZ LYS 3 8.068 13.358 -23.394 38 H MET 4 H MET 4 12.410 13.261 -27.895 39 HA MET 4 HA MET 4 12.802 11.032 -27.865 40 HB2 MET 4 2HB MET 4 14.712 11.941 -29.273 41 HB3 MET 4 3HB MET 4 15.732 11.737 -27.853 42 HG2 MET 4 2HG MET 4 15.234 9.354 -27.828 43 HG3 MET 4 3HG MET 4 14.191 9.549 -29.234 44 HE1 MET 4 3HE MET 4 17.211 7.599 -30.736 45 HE2 MET 4 1HE MET 4 15.460 7.654 -30.534 46 HE3 MET 4 2HE MET 4 16.500 7.392 -29.133 47 H ALA 5 H ALA 5 12.775 12.504 -25.259 48 HA ALA 5 HA ALA 5 14.065 10.417 -23.639 49 HB1 ALA 5 3HB ALA 5 15.244 12.529 -23.357 50 HB2 ALA 5 1HB ALA 5 14.402 12.084 -21.874 51 HB3 ALA 5 2HB ALA 5 13.734 13.331 -22.927 52 H GLU 6 H GLU 6 12.862 9.545 -21.988 53 HA GLU 6 HA GLU 6 10.046 10.415 -21.879 54 HB2 GLU 6 2HB GLU 6 11.087 7.598 -21.516 55 HB3 GLU 6 3HB GLU 6 9.403 8.100 -21.558 56 HG2 GLU 6 2HG GLU 6 11.331 8.306 -23.862 57 HG3 GLU 6 3HG GLU 6 10.142 7.026 -23.643 58 H PHE 7 H PHE 7 9.454 8.505 -19.774 59 HA PHE 7 HA PHE 7 10.527 10.018 -17.538 60 HB2 PHE 7 2HB PHE 7 8.350 7.929 -17.692 61 HB3 PHE 7 3HB PHE 7 8.866 8.703 -16.199 62 HD1 PHE 7 HD1 PHE 7 8.620 11.204 -15.988 63 HD2 PHE 7 HD2 PHE 7 6.795 8.962 -19.111 64 HE1 PHE 7 HE1 PHE 7 7.045 13.052 -16.389 65 HE2 PHE 7 HE2 PHE 7 5.216 10.804 -19.514 66 HZ PHE 7 HZ PHE 7 5.341 12.855 -18.153 67 H THR 8 H THR 8 12.164 9.362 -16.379 68 HA THR 8 HA THR 8 12.991 6.551 -16.538 69 HB THR 8 HB THR 8 14.720 8.149 -17.223 70 HG1 THR 8 HG1 THR 8 16.358 7.364 -15.880 71 HG21 THR 8 3HG2 THR 8 14.481 9.275 -14.433 72 HG22 THR 8 1HG2 THR 8 14.000 10.089 -15.922 73 HG23 THR 8 2HG2 THR 8 15.701 9.726 -15.625 74 H PHE 9 H PHE 9 13.229 5.333 -14.695 75 HA PHE 9 HA PHE 9 12.040 6.513 -12.270 76 HB2 PHE 9 2HB PHE 9 12.021 3.602 -13.094 77 HB3 PHE 9 3HB PHE 9 11.153 4.323 -11.744 78 HD1 PHE 9 HD1 PHE 9 9.259 5.891 -12.216 79 HD2 PHE 9 HD2 PHE 9 11.116 3.575 -15.260 80 HE1 PHE 9 HE1 PHE 9 7.309 6.249 -13.671 81 HE2 PHE 9 HE2 PHE 9 9.172 3.930 -16.723 82 HZ PHE 9 HZ PHE 9 7.265 5.269 -15.929 83 H GLU 10 H GLU 10 13.276 6.528 -10.481 84 HA GLU 10 HA GLU 10 15.530 4.644 -10.381 85 HB2 GLU 10 2HB GLU 10 16.303 6.943 -10.937 86 HB3 GLU 10 3HB GLU 10 15.622 7.506 -9.418 87 HG2 GLU 10 2HG GLU 10 17.216 6.435 -8.148 88 HG3 GLU 10 3HG GLU 10 17.606 5.280 -9.422 89 H ILE 11 H ILE 11 15.696 3.490 -8.590 90 HA ILE 11 HA ILE 11 13.756 3.901 -6.470 91 HB ILE 11 HB ILE 11 15.849 1.742 -6.799 92 HG12 ILE 11 2HG1 ILE 11 12.868 1.683 -7.337 93 HG13 ILE 11 3HG1 ILE 11 14.121 1.747 -8.572 94 HG21 ILE 11 1HG2 ILE 11 14.571 0.534 -5.087 95 HG22 ILE 11 2HG2 ILE 11 13.515 1.934 -4.898 96 HG23 ILE 11 3HG2 ILE 11 15.221 2.051 -4.470 97 HD11 ILE 11 3HD1 ILE 11 13.678 -0.494 -6.616 98 HD12 ILE 11 1HD1 ILE 11 14.951 -0.429 -7.835 99 HD13 ILE 11 2HD1 ILE 11 13.260 -0.498 -8.330 100 H GLU 12 H GLU 12 14.209 5.214 -4.853 101 HA GLU 12 HA GLU 12 16.936 6.037 -4.343 102 HB2 GLU 12 2HB GLU 12 14.393 6.849 -2.931 103 HB3 GLU 12 3HB GLU 12 15.951 7.653 -2.820 104 HG2 GLU 12 2HG GLU 12 14.280 7.426 -5.309 105 HG3 GLU 12 3HG GLU 12 14.390 8.846 -4.270 106 H GLU 13 H GLU 13 14.381 5.250 -2.022 107 HA GLU 13 HA GLU 13 16.390 3.831 -0.412 108 HB2 GLU 13 2HB GLU 13 15.693 6.323 0.180 109 HB3 GLU 13 3HB GLU 13 14.294 5.530 0.888 110 HG2 GLU 13 2HG GLU 13 17.146 4.887 1.601 111 HG3 GLU 13 3HG GLU 13 16.133 6.026 2.482 112 H HIS 14 H HIS 14 15.700 1.911 0.368 113 HA HIS 14 HA HIS 14 12.984 1.065 -0.129 114 HB2 HIS 14 2HB HIS 14 15.361 -0.319 1.116 115 HB3 HIS 14 3HB HIS 14 13.768 -1.061 1.031 116 HD1 HIS 14 HD1 HIS 14 16.773 -1.391 -0.586 117 HD2 HIS 14 HD2 HIS 14 12.926 -0.680 -1.994 118 HE1 HIS 14 HE1 HIS 14 16.768 -2.181 -2.975 119 HE2 HIS 14 HE2 HIS 14 14.368 -1.954 -3.724 120 H LEU 15 H LEU 15 11.724 2.357 1.161 121 HA LEU 15 HA LEU 15 11.998 2.958 3.837 122 HB2 LEU 15 2HB LEU 15 9.510 2.380 2.230 123 HB3 LEU 15 3HB LEU 15 9.472 3.007 3.867 124 HG LEU 15 HG LEU 15 10.840 4.430 1.586 125 HD11 LEU 15 1HD1 LEU 15 8.075 4.861 2.706 126 HD12 LEU 15 2HD1 LEU 15 8.455 4.216 1.110 127 HD13 LEU 15 3HD1 LEU 15 8.877 5.880 1.514 128 HD21 LEU 15 3HD2 LEU 15 9.992 5.298 4.348 129 HD22 LEU 15 1HD2 LEU 15 10.661 6.358 3.107 130 HD23 LEU 15 2HD2 LEU 15 11.648 5.061 3.780 131 H LEU 16 H LEU 16 10.451 0.132 2.370 132 HA LEU 16 HA LEU 16 10.989 -1.399 4.790 133 HB2 LEU 16 2HB LEU 16 8.244 -0.974 3.631 134 HB3 LEU 16 3HB LEU 16 8.635 -2.357 4.633 135 HG LEU 16 HG LEU 16 8.773 0.538 5.479 136 HD11 LEU 16 1HD1 LEU 16 6.906 -0.070 6.932 137 HD12 LEU 16 2HD1 LEU 16 6.893 -1.692 6.241 138 HD13 LEU 16 3HD1 LEU 16 6.498 -0.299 5.233 139 HD21 LEU 16 3HD2 LEU 16 9.311 -2.008 7.006 140 HD22 LEU 16 1HD2 LEU 16 9.213 -0.394 7.712 141 HD23 LEU 16 2HD2 LEU 16 10.496 -0.777 6.565 142 H THR 17 H THR 17 11.632 -3.395 4.322 143 HA THR 17 HA THR 17 10.904 -4.530 1.711 144 HB THR 17 HB THR 17 13.019 -5.510 3.654 145 HG1 THR 17 HG1 THR 17 13.515 -3.468 2.605 146 HG21 THR 17 3HG2 THR 17 12.118 -7.295 2.248 147 HG22 THR 17 1HG2 THR 17 13.765 -6.895 1.762 148 HG23 THR 17 2HG2 THR 17 12.400 -6.319 0.808 149 H LEU 18 H LEU 18 8.936 -5.423 1.982 150 HA LEU 18 HA LEU 18 8.040 -6.239 4.554 151 HB2 LEU 18 2HB LEU 18 6.729 -6.515 1.854 152 HB3 LEU 18 3HB LEU 18 5.943 -6.839 3.386 153 HG LEU 18 HG LEU 18 6.995 -4.157 2.476 154 HD11 LEU 18 1HD1 LEU 18 4.180 -5.180 2.817 155 HD12 LEU 18 2HD1 LEU 18 4.981 -4.823 1.287 156 HD13 LEU 18 3HD1 LEU 18 4.630 -3.521 2.423 157 HD21 LEU 18 3HD2 LEU 18 5.922 -3.288 4.495 158 HD22 LEU 18 1HD2 LEU 18 7.201 -4.438 4.890 159 HD23 LEU 18 2HD2 LEU 18 5.510 -4.932 4.982 160 H SER 19 H SER 19 7.726 -8.215 1.590 161 HA SER 19 HA SER 19 8.936 -10.491 2.884 162 HB2 SER 19 2HB SER 19 5.925 -10.366 2.597 163 HB3 SER 19 3HB SER 19 6.818 -11.862 2.865 164 HG SER 19 HG SER 19 6.958 -11.373 4.897 165 H GLU 20 H GLU 20 8.534 -12.534 1.588 166 HA GLU 20 HA GLU 20 8.153 -11.902 -1.261 167 HB2 GLU 20 2HB GLU 20 9.585 -13.763 -1.811 168 HB3 GLU 20 3HB GLU 20 10.431 -12.731 -0.671 169 HG2 GLU 20 2HG GLU 20 8.951 -15.207 0.165 170 HG3 GLU 20 3HG GLU 20 10.643 -15.219 -0.328 171 H ASN 21 H ASN 21 6.790 -13.196 -2.455 172 HA ASN 21 HA ASN 21 4.892 -14.741 -0.852 173 HB2 ASN 21 2HB ASN 21 4.735 -13.469 -3.574 174 HB3 ASN 21 3HB ASN 21 3.570 -14.691 -3.078 175 HD21 ASN 21 1HD2 ASN 21 5.015 -12.410 -0.862 176 HD22 ASN 21 2HD2 ASN 21 3.576 -11.503 -0.542 177 H GLU 22 H GLU 22 3.953 -16.676 -1.920 178 HA GLU 22 HA GLU 22 5.867 -18.651 -1.847 179 HB2 GLU 22 2HB GLU 22 4.127 -20.205 -2.462 180 HB3 GLU 22 3HB GLU 22 3.472 -18.989 -1.379 181 HG2 GLU 22 2HG GLU 22 3.117 -19.035 -4.371 182 HG3 GLU 22 3HG GLU 22 1.927 -19.571 -3.189 183 H LYS 23 H LYS 23 4.595 -17.011 -4.700 184 HA LYS 23 HA LYS 23 5.766 -18.901 -6.524 185 HB2 LYS 23 2HB LYS 23 4.741 -16.113 -7.077 186 HB3 LYS 23 3HB LYS 23 5.094 -17.343 -8.280 187 HG2 LYS 23 2HG LYS 23 3.332 -18.762 -7.204 188 HG3 LYS 23 3HG LYS 23 2.901 -17.357 -6.228 189 HD2 LYS 23 2HD LYS 23 1.441 -17.057 -7.953 190 HD3 LYS 23 3HD LYS 23 2.832 -16.192 -8.608 191 HE2 LYS 23 2HE LYS 23 2.054 -19.042 -9.210 192 HE3 LYS 23 3HE LYS 23 1.848 -17.663 -10.284 193 HZ1 LYS 23 3HZ LYS 23 4.471 -18.679 -9.314 194 HZ2 LYS 23 1HZ LYS 23 4.227 -17.432 -10.437 195 HZ3 LYS 23 2HZ LYS 23 3.798 -19.024 -10.826 196 H GLY 24 H GLY 24 7.259 -16.861 -4.525 197 HA2 GLY 24 2HA GLY 24 9.496 -16.207 -4.523 198 HA3 GLY 24 3HA GLY 24 9.596 -16.623 -6.229 199 H TRP 25 H TRP 25 7.153 -14.567 -4.816 200 HA TRP 25 HA TRP 25 8.044 -12.406 -6.601 201 HB2 TRP 25 2HB TRP 25 5.412 -13.020 -5.272 202 HB3 TRP 25 3HB TRP 25 5.740 -11.447 -5.990 203 HD1 TRP 25 HD1 TRP 25 7.132 -14.434 -7.854 204 HE1 TRP 25 HE1 TRP 25 5.769 -14.792 -10.007 205 HE3 TRP 25 HE3 TRP 25 3.302 -11.180 -6.927 206 HZ2 TRP 25 HZ2 TRP 25 3.377 -13.821 -11.158 207 HZ3 TRP 25 HZ3 TRP 25 1.516 -10.949 -8.603 208 HH2 TRP 25 HH2 TRP 25 1.552 -12.247 -10.677 209 H THR 26 H THR 26 8.477 -10.341 -5.839 210 HA THR 26 HA THR 26 8.962 -10.247 -2.942 211 HB THR 26 HB THR 26 10.514 -8.302 -3.666 212 HG1 THR 26 HG1 THR 26 10.026 -8.016 -5.782 213 HG21 THR 26 3HG2 THR 26 11.146 -11.163 -4.403 214 HG22 THR 26 1HG2 THR 26 11.344 -10.426 -2.813 215 HG23 THR 26 2HG2 THR 26 12.337 -9.884 -4.165 216 H LYS 27 H LYS 27 8.139 -8.652 -1.696 217 HA LYS 27 HA LYS 27 6.725 -6.446 -3.036 218 HB2 LYS 27 2HB LYS 27 5.155 -8.191 -2.083 219 HB3 LYS 27 3HB LYS 27 5.777 -7.773 -0.490 220 HG2 LYS 27 2HG LYS 27 5.105 -5.359 -1.107 221 HG3 LYS 27 3HG LYS 27 4.127 -6.120 -2.362 222 HD2 LYS 27 2HD LYS 27 3.927 -6.518 0.618 223 HD3 LYS 27 3HD LYS 27 2.741 -5.765 -0.446 224 HE2 LYS 27 2HE LYS 27 3.598 -8.649 -0.569 225 HE3 LYS 27 3HE LYS 27 2.133 -8.062 0.212 226 HZ1 LYS 27 3HZ LYS 27 1.732 -8.934 -2.015 227 HZ2 LYS 27 1HZ LYS 27 2.761 -7.760 -2.673 228 HZ3 LYS 27 2HZ LYS 27 1.322 -7.294 -1.908 229 H GLU 28 H GLU 28 7.640 -4.571 -2.499 230 HA GLU 28 HA GLU 28 8.504 -4.200 0.279 231 HB2 GLU 28 2HB GLU 28 10.597 -3.314 -0.271 232 HB3 GLU 28 3HB GLU 28 10.455 -4.717 -1.319 233 HG2 GLU 28 2HG GLU 28 9.676 -1.999 -2.291 234 HG3 GLU 28 3HG GLU 28 11.364 -2.497 -2.266 235 H ILE 29 H ILE 29 8.904 -1.870 0.751 236 HA ILE 29 HA ILE 29 7.165 -0.102 -0.847 237 HB ILE 29 HB ILE 29 7.759 0.034 2.128 238 HG12 ILE 29 2HG1 ILE 29 5.183 -0.586 0.654 239 HG13 ILE 29 3HG1 ILE 29 6.183 -1.761 1.500 240 HG21 ILE 29 1HG2 ILE 29 6.152 1.892 2.162 241 HG22 ILE 29 2HG2 ILE 29 6.025 1.809 0.404 242 HG23 ILE 29 3HG2 ILE 29 7.556 2.256 1.158 243 HD11 ILE 29 3HD1 ILE 29 4.242 -1.132 2.811 244 HD12 ILE 29 1HD1 ILE 29 4.740 0.559 2.759 245 HD13 ILE 29 2HD1 ILE 29 5.731 -0.628 3.607 246 H ASN 30 H ASN 30 8.217 1.635 -1.742 247 HA ASN 30 HA ASN 30 10.842 2.352 -0.705 248 HB2 ASN 30 2HB ASN 30 12.072 1.855 -2.689 249 HB3 ASN 30 3HB ASN 30 11.198 0.400 -2.237 250 HD21 ASN 30 1HD2 ASN 30 8.638 1.369 -3.313 251 HD22 ASN 30 2HD2 ASN 30 8.787 1.288 -5.028 252 H ARG 31 H ARG 31 11.894 4.046 -2.091 253 HA ARG 31 HA ARG 31 9.905 6.024 -2.923 254 HB2 ARG 31 2HB ARG 31 12.794 6.156 -2.135 255 HB3 ARG 31 3HB ARG 31 12.088 7.446 -3.092 256 HG2 ARG 31 2HG ARG 31 10.470 7.893 -1.341 257 HG3 ARG 31 3HG ARG 31 11.124 6.560 -0.380 258 HD2 ARG 31 2HD ARG 31 13.217 7.656 -0.141 259 HD3 ARG 31 3HD ARG 31 12.788 8.875 -1.337 260 HE ARG 31 HE ARG 31 11.082 9.636 0.329 261 HH11 ARG 31 1HH1 ARG 31 13.941 7.897 1.330 262 HH12 ARG 31 2HH1 ARG 31 14.012 8.629 2.903 263 HH21 ARG 31 1HH2 ARG 31 11.187 10.659 2.358 264 HH22 ARG 31 2HH2 ARG 31 12.441 10.224 3.485 265 H VAL 32 H VAL 32 9.591 6.512 -5.005 266 HA VAL 32 HA VAL 32 11.667 5.712 -6.943 267 HB VAL 32 HB VAL 32 8.684 5.764 -7.454 268 HG11 VAL 32 1HG1 VAL 32 9.278 4.691 -9.588 269 HG12 VAL 32 2HG1 VAL 32 10.985 4.886 -9.193 270 HG13 VAL 32 3HG1 VAL 32 9.970 6.306 -9.437 271 HG21 VAL 32 3HG2 VAL 32 8.869 3.311 -7.630 272 HG22 VAL 32 1HG2 VAL 32 9.250 3.896 -6.010 273 HG23 VAL 32 2HG2 VAL 32 10.549 3.418 -7.103 274 H SER 33 H SER 33 12.576 7.421 -7.881 275 HA SER 33 HA SER 33 11.138 9.966 -7.914 276 HB2 SER 33 2HB SER 33 13.993 9.404 -8.751 277 HB3 SER 33 3HB SER 33 13.267 10.980 -8.431 278 HG SER 33 HG SER 33 14.415 9.259 -6.720 279 H PHE 34 H PHE 34 10.172 10.716 -9.691 280 HA PHE 34 HA PHE 34 10.526 9.235 -12.193 281 HB2 PHE 34 2HB PHE 34 8.395 11.281 -11.552 282 HB3 PHE 34 3HB PHE 34 8.394 10.108 -12.864 283 HD1 PHE 34 HD1 PHE 34 8.360 7.626 -12.203 284 HD2 PHE 34 HD2 PHE 34 7.362 10.792 -9.545 285 HE1 PHE 34 HE1 PHE 34 7.138 6.038 -10.773 286 HE2 PHE 34 HE2 PHE 34 6.138 9.212 -8.113 287 HZ PHE 34 HZ PHE 34 6.026 6.831 -8.726 288 H ASN 35 H ASN 35 12.319 10.103 -13.098 289 HA ASN 35 HA ASN 35 13.699 11.542 -14.162 290 HB2 ASN 35 2HB ASN 35 11.243 13.303 -14.300 291 HB3 ASN 35 3HB ASN 35 12.771 13.685 -15.085 292 HD21 ASN 35 1HD2 ASN 35 12.135 13.558 -17.175 293 HD22 ASN 35 2HD2 ASN 35 11.556 12.105 -17.924 294 H GLY 36 H GLY 36 11.671 13.713 -12.210 295 HA2 GLY 36 2HA GLY 36 14.099 14.419 -10.681 296 HA3 GLY 36 3HA GLY 36 12.846 15.593 -11.075 297 H ALA 37 H ALA 37 11.774 16.089 -9.298 298 HA ALA 37 HA ALA 37 10.328 15.907 -7.566 299 HB1 ALA 37 3HB ALA 37 10.182 12.961 -8.189 300 HB2 ALA 37 1HB ALA 37 9.190 14.207 -8.950 301 HB3 ALA 37 2HB ALA 37 9.046 13.899 -7.220 302 HA PRO 38 HA PRO 38 12.906 14.827 -4.143 303 HB2 PRO 38 2HB PRO 38 10.647 15.006 -2.337 304 HB3 PRO 38 3HB PRO 38 11.959 16.159 -2.578 305 HG2 PRO 38 2HG PRO 38 9.376 16.652 -3.292 306 HG3 PRO 38 3HG PRO 38 10.771 17.387 -4.099 307 HD2 PRO 38 2HD PRO 38 9.100 15.050 -4.948 308 HD3 PRO 38 3HD PRO 38 9.749 16.386 -5.924 309 H ALA 39 H ALA 39 11.798 12.558 -5.542 310 HA ALA 39 HA ALA 39 11.545 10.320 -5.325 311 HB1 ALA 39 3HB ALA 39 12.355 10.718 -2.446 312 HB2 ALA 39 1HB ALA 39 13.466 10.526 -3.808 313 HB3 ALA 39 2HB ALA 39 12.384 9.208 -3.361 314 H LYS 40 H LYS 40 9.526 9.713 -5.605 315 HA LYS 40 HA LYS 40 7.469 10.513 -3.715 316 HB2 LYS 40 2HB LYS 40 7.355 10.579 -6.320 317 HB3 LYS 40 3HB LYS 40 7.010 8.862 -6.185 318 HG2 LYS 40 2HG LYS 40 4.967 10.134 -6.395 319 HG3 LYS 40 3HG LYS 40 5.052 9.372 -4.805 320 HD2 LYS 40 2HD LYS 40 5.631 11.426 -3.761 321 HD3 LYS 40 3HD LYS 40 5.897 12.214 -5.317 322 HE2 LYS 40 2HE LYS 40 3.231 11.123 -4.448 323 HE3 LYS 40 3HE LYS 40 3.734 12.787 -4.152 324 HZ1 LYS 40 3HZ LYS 40 3.965 13.109 -6.531 325 HZ2 LYS 40 1HZ LYS 40 2.394 12.596 -6.157 326 HZ3 LYS 40 2HZ LYS 40 3.501 11.503 -6.828 327 H PHE 41 H PHE 41 5.923 8.944 -2.872 328 HA PHE 41 HA PHE 41 7.326 6.570 -1.949 329 HB2 PHE 41 2HB PHE 41 4.598 7.623 -1.156 330 HB3 PHE 41 3HB PHE 41 5.510 6.361 -0.335 331 HD1 PHE 41 HD1 PHE 41 7.829 7.043 0.592 332 HD2 PHE 41 HD2 PHE 41 4.777 9.811 -0.457 333 HE1 PHE 41 HE1 PHE 41 8.875 8.735 2.041 334 HE2 PHE 41 HE2 PHE 41 5.820 11.516 0.978 335 HZ PHE 41 HZ PHE 41 7.871 10.978 2.231 336 H ASP 42 H ASP 42 6.985 4.576 -2.735 337 HA ASP 42 HA ASP 42 4.460 4.020 -4.134 338 HB2 ASP 42 2HB ASP 42 6.236 4.652 -5.790 339 HB3 ASP 42 3HB ASP 42 7.183 3.276 -5.235 340 H ILE 43 H ILE 43 3.589 2.160 -3.522 341 HA ILE 43 HA ILE 43 5.246 0.209 -2.069 342 HB ILE 43 HB ILE 43 2.227 0.396 -2.230 343 HG12 ILE 43 2HG1 ILE 43 4.095 1.167 0.025 344 HG13 ILE 43 3HG1 ILE 43 3.231 2.296 -1.012 345 HG21 ILE 43 1HG2 ILE 43 4.022 -1.325 -0.524 346 HG22 ILE 43 2HG2 ILE 43 2.974 -1.872 -1.834 347 HG23 ILE 43 3HG2 ILE 43 2.270 -1.205 -0.359 348 HD11 ILE 43 3HD1 ILE 43 1.104 1.455 -0.150 349 HD12 ILE 43 1HD1 ILE 43 2.140 2.059 1.143 350 HD13 ILE 43 2HD1 ILE 43 1.973 0.323 0.887 351 H ARG 44 H ARG 44 5.809 -1.642 -3.119 352 HA ARG 44 HA ARG 44 4.406 -2.180 -5.652 353 HB2 ARG 44 2HB ARG 44 6.423 -0.859 -6.057 354 HB3 ARG 44 3HB ARG 44 7.388 -2.052 -5.203 355 HG2 ARG 44 2HG ARG 44 6.809 -3.715 -6.924 356 HG3 ARG 44 3HG ARG 44 5.910 -2.467 -7.793 357 HD2 ARG 44 2HD ARG 44 8.203 -2.813 -8.663 358 HD3 ARG 44 3HD ARG 44 7.905 -1.166 -8.103 359 HE ARG 44 HE ARG 44 9.214 -3.104 -6.317 360 HH11 ARG 44 1HH1 ARG 44 9.322 -0.133 -8.163 361 HH12 ARG 44 2HH1 ARG 44 10.788 0.417 -7.427 362 HH21 ARG 44 1HH2 ARG 44 11.149 -2.404 -5.364 363 HH22 ARG 44 2HH2 ARG 44 11.826 -0.869 -5.825 364 H ALA 45 H ALA 45 4.474 -4.286 -6.434 365 HA ALA 45 HA ALA 45 5.910 -6.321 -4.891 366 HB1 ALA 45 3HB ALA 45 3.562 -6.325 -4.067 367 HB2 ALA 45 1HB ALA 45 4.015 -7.830 -4.872 368 HB3 ALA 45 2HB ALA 45 3.022 -6.644 -5.718 369 H TRP 46 H TRP 46 7.324 -6.883 -6.483 370 HA TRP 46 HA TRP 46 6.230 -7.130 -9.200 371 HB2 TRP 46 2HB TRP 46 8.583 -6.656 -9.970 372 HB3 TRP 46 3HB TRP 46 7.769 -5.313 -9.177 373 HD1 TRP 46 HD1 TRP 46 8.525 -4.885 -6.535 374 HE1 TRP 46 HE1 TRP 46 10.848 -5.125 -5.459 375 HE3 TRP 46 HE3 TRP 46 10.709 -7.910 -10.031 376 HZ2 TRP 46 HZ2 TRP 46 13.287 -6.432 -6.031 377 HZ3 TRP 46 HZ3 TRP 46 13.040 -8.609 -9.690 378 HH2 TRP 46 HH2 TRP 46 14.302 -7.885 -7.731 379 H SER 47 H SER 47 7.400 -8.593 -10.626 380 HA SER 47 HA SER 47 8.065 -11.080 -9.215 381 HB2 SER 47 2HB SER 47 7.320 -10.765 -12.130 382 HB3 SER 47 3HB SER 47 7.308 -12.241 -11.164 383 HG SER 47 HG SER 47 5.743 -10.607 -9.895 384 HA PRO 48 HA PRO 48 12.308 -10.935 -10.487 385 HB2 PRO 48 2HB PRO 48 11.910 -13.711 -11.487 386 HB3 PRO 48 3HB PRO 48 13.122 -13.084 -10.362 387 HG2 PRO 48 2HG PRO 48 11.059 -14.515 -9.474 388 HG3 PRO 48 3HG PRO 48 11.652 -13.115 -8.563 389 HD2 PRO 48 2HD PRO 48 9.232 -13.370 -10.289 390 HD3 PRO 48 3HD PRO 48 9.447 -12.474 -8.771 391 H ASP 49 H ASP 49 12.662 -9.672 -12.191 392 HA ASP 49 HA ASP 49 13.032 -8.988 -14.319 393 HB2 ASP 49 2HB ASP 49 14.070 -11.345 -14.406 394 HB3 ASP 49 3HB ASP 49 12.605 -11.827 -15.252 395 H HIS 50 H HIS 50 11.892 -9.587 -16.757 396 HA HIS 50 HA HIS 50 9.155 -8.752 -16.259 397 HB2 HIS 50 2HB HIS 50 9.100 -8.566 -18.824 398 HB3 HIS 50 3HB HIS 50 10.122 -7.443 -17.942 399 HD1 HIS 50 HD1 HIS 50 12.505 -7.317 -18.623 400 HD2 HIS 50 HD2 HIS 50 10.627 -10.725 -20.098 401 HE1 HIS 50 HE1 HIS 50 14.157 -8.381 -20.189 402 HE2 HIS 50 HE2 HIS 50 13.090 -10.551 -20.883 403 H THR 51 H THR 51 9.612 -11.310 -15.421 404 HA THR 51 HA THR 51 8.600 -13.201 -17.331 405 HB THR 51 HB THR 51 8.676 -13.477 -14.319 406 HG1 THR 51 HG1 THR 51 10.779 -13.292 -14.643 407 HG21 THR 51 3HG2 THR 51 8.848 -15.884 -14.827 408 HG22 THR 51 1HG2 THR 51 8.703 -15.521 -16.547 409 HG23 THR 51 2HG2 THR 51 7.355 -15.185 -15.459 410 H LYS 52 H LYS 52 7.323 -11.266 -14.687 411 HA LYS 52 HA LYS 52 4.619 -11.670 -15.708 412 HB2 LYS 52 2HB LYS 52 5.343 -13.131 -13.610 413 HB3 LYS 52 3HB LYS 52 5.017 -11.638 -12.748 414 HG2 LYS 52 2HG LYS 52 3.024 -12.841 -12.625 415 HG3 LYS 52 3HG LYS 52 2.751 -11.670 -13.914 416 HD2 LYS 52 2HD LYS 52 3.135 -13.325 -15.595 417 HD3 LYS 52 3HD LYS 52 3.670 -14.498 -14.394 418 HE2 LYS 52 2HE LYS 52 1.412 -15.005 -15.111 419 HE3 LYS 52 3HE LYS 52 1.419 -14.508 -13.419 420 HZ1 LYS 52 3HZ LYS 52 -0.401 -13.527 -14.759 421 HZ2 LYS 52 1HZ LYS 52 0.755 -12.698 -15.684 422 HZ3 LYS 52 2HZ LYS 52 0.593 -12.366 -14.029 423 H MET 53 H MET 53 3.191 -9.935 -15.054 424 HA MET 53 HA MET 53 4.562 -7.415 -14.942 425 HB2 MET 53 2HB MET 53 1.628 -8.126 -14.997 426 HB3 MET 53 3HB MET 53 2.212 -6.471 -14.931 427 HG2 MET 53 2HG MET 53 1.679 -6.970 -17.188 428 HG3 MET 53 3HG MET 53 3.433 -6.887 -17.059 429 HE1 MET 53 3HE MET 53 3.739 -8.108 -19.391 430 HE2 MET 53 1HE MET 53 1.984 -8.130 -19.564 431 HE3 MET 53 2HE MET 53 2.914 -9.607 -19.819 432 H GLY 54 H GLY 54 5.151 -6.388 -13.171 433 HA2 GLY 54 2HA GLY 54 4.417 -7.408 -10.585 434 HA3 GLY 54 3HA GLY 54 5.490 -6.056 -10.913 435 H LYS 55 H LYS 55 3.365 -6.374 -8.953 436 HA LYS 55 HA LYS 55 1.345 -4.441 -9.827 437 HB2 LYS 55 2HB LYS 55 1.422 -5.774 -7.129 438 HB3 LYS 55 3HB LYS 55 0.032 -5.155 -8.008 439 HG2 LYS 55 2HG LYS 55 1.619 -7.615 -8.722 440 HG3 LYS 55 3HG LYS 55 0.039 -7.589 -7.942 441 HD2 LYS 55 2HD LYS 55 -1.000 -6.698 -9.887 442 HD3 LYS 55 3HD LYS 55 0.561 -6.374 -10.648 443 HE2 LYS 55 2HE LYS 55 1.015 -8.769 -10.753 444 HE3 LYS 55 3HE LYS 55 -0.525 -9.104 -9.966 445 HZ1 LYS 55 3HZ LYS 55 -0.337 -7.639 -12.538 446 HZ2 LYS 55 1HZ LYS 55 -1.712 -8.345 -11.833 447 HZ3 LYS 55 2HZ LYS 55 -0.474 -9.327 -12.457 448 H GLY 56 H GLY 56 0.743 -2.820 -7.998 449 HA2 GLY 56 2HA GLY 56 2.186 -1.913 -5.963 450 HA3 GLY 56 3HA GLY 56 3.220 -1.451 -7.309 451 H ILE 57 H ILE 57 2.243 0.488 -5.661 452 HA ILE 57 HA ILE 57 0.652 2.038 -7.498 453 HB ILE 57 HB ILE 57 -1.045 0.711 -6.236 454 HG12 ILE 57 2HG1 ILE 57 -1.202 3.661 -5.595 455 HG13 ILE 57 3HG1 ILE 57 -1.479 2.999 -7.205 456 HG21 ILE 57 1HG2 ILE 57 0.104 0.550 -4.102 457 HG22 ILE 57 2HG2 ILE 57 -1.491 1.271 -3.896 458 HG23 ILE 57 3HG2 ILE 57 -0.053 2.291 -3.865 459 HD11 ILE 57 3HD1 ILE 57 -3.352 1.712 -6.383 460 HD12 ILE 57 1HD1 ILE 57 -3.564 3.420 -6.000 461 HD13 ILE 57 2HD1 ILE 57 -3.058 2.288 -4.742 462 H THR 58 H THR 58 0.918 4.210 -7.214 463 HA THR 58 HA THR 58 3.016 4.983 -5.341 464 HB THR 58 HB THR 58 1.812 6.686 -7.523 465 HG1 THR 58 HG1 THR 58 3.702 4.574 -7.654 466 HG21 THR 58 3HG2 THR 58 4.537 6.678 -6.217 467 HG22 THR 58 1HG2 THR 58 3.247 7.839 -5.901 468 HG23 THR 58 2HG2 THR 58 4.007 7.775 -7.491 469 H LEU 59 H LEU 59 2.782 6.578 -3.793 470 HA LEU 59 HA LEU 59 0.063 7.667 -3.440 471 HB2 LEU 59 2HB LEU 59 1.931 6.725 -1.260 472 HB3 LEU 59 3HB LEU 59 0.400 7.533 -0.994 473 HG LEU 59 HG LEU 59 -0.571 5.511 -2.358 474 HD11 LEU 59 1HD1 LEU 59 1.561 4.536 -2.984 475 HD12 LEU 59 2HD1 LEU 59 0.661 3.437 -1.937 476 HD13 LEU 59 3HD1 LEU 59 2.004 4.373 -1.284 477 HD21 LEU 59 3HD2 LEU 59 0.377 5.258 0.493 478 HD22 LEU 59 1HD2 LEU 59 -0.904 4.306 -0.260 479 HD23 LEU 59 2HD2 LEU 59 -1.109 6.044 -0.040 480 H SER 60 H SER 60 -0.110 9.757 -2.720 481 HA SER 60 HA SER 60 2.245 11.424 -2.949 482 HB2 SER 60 2HB SER 60 -0.533 12.300 -2.141 483 HB3 SER 60 3HB SER 60 0.730 13.259 -2.916 484 HG SER 60 HG SER 60 -0.899 11.225 -4.020 485 H ASN 61 H ASN 61 2.652 13.103 -1.225 486 HA ASN 61 HA ASN 61 3.355 11.955 1.182 487 HB2 ASN 61 2HB ASN 61 2.797 14.854 0.537 488 HB3 ASN 61 3HB ASN 61 3.475 14.324 2.072 489 HD21 ASN 61 1HD2 ASN 61 5.403 15.398 1.781 490 HD22 ASN 61 2HD2 ASN 61 6.588 14.893 0.627 491 H GLU 62 H GLU 62 0.464 13.925 0.522 492 HA GLU 62 HA GLU 62 -0.666 13.821 3.066 493 HB2 GLU 62 2HB GLU 62 -1.969 13.992 0.346 494 HB3 GLU 62 3HB GLU 62 -2.851 14.183 1.854 495 HG2 GLU 62 2HG GLU 62 -0.589 15.922 0.895 496 HG3 GLU 62 3HG GLU 62 -2.306 16.327 0.853 497 H GLU 63 H GLU 63 -1.241 11.700 0.277 498 HA GLU 63 HA GLU 63 -3.163 10.059 1.485 499 HB2 GLU 63 2HB GLU 63 -1.243 9.241 -0.701 500 HB3 GLU 63 3HB GLU 63 -2.844 8.583 -0.383 501 HG2 GLU 63 2HG GLU 63 -3.868 10.682 -1.032 502 HG3 GLU 63 3HG GLU 63 -2.277 11.404 -1.273 503 H PHE 64 H PHE 64 0.341 9.718 1.194 504 HA PHE 64 HA PHE 64 0.515 7.113 2.271 505 HB2 PHE 64 2HB PHE 64 2.240 8.591 0.930 506 HB3 PHE 64 3HB PHE 64 2.760 9.076 2.539 507 HD1 PHE 64 HD1 PHE 64 2.310 6.175 0.300 508 HD2 PHE 64 HD2 PHE 64 4.119 7.670 3.846 509 HE1 PHE 64 HE1 PHE 64 3.709 4.154 0.427 510 HE2 PHE 64 HE2 PHE 64 5.523 5.653 3.981 511 HZ PHE 64 HZ PHE 64 5.323 3.894 2.273 512 H GLN 65 H GLN 65 1.025 10.319 3.738 513 HA GLN 65 HA GLN 65 1.560 9.440 6.354 514 HB2 GLN 65 2HB GLN 65 1.604 11.832 5.142 515 HB3 GLN 65 3HB GLN 65 0.039 11.975 5.925 516 HG2 GLN 65 2HG GLN 65 2.671 11.457 7.298 517 HG3 GLN 65 3HG GLN 65 1.812 12.991 7.247 518 HE21 GLN 65 1HE2 GLN 65 2.058 9.900 8.718 519 HE22 GLN 65 2HE2 GLN 65 0.843 10.134 9.923 520 H THR 66 H THR 66 -1.454 10.171 4.658 521 HA THR 66 HA THR 66 -3.256 10.076 6.765 522 HB THR 66 HB THR 66 -3.604 9.302 3.869 523 HG1 THR 66 HG1 THR 66 -3.201 11.507 4.236 524 HG21 THR 66 3HG2 THR 66 -6.029 9.467 4.241 525 HG22 THR 66 1HG2 THR 66 -5.745 9.658 5.972 526 HG23 THR 66 2HG2 THR 66 -5.318 8.147 5.168 527 H MET 67 H MET 67 -2.187 7.379 4.669 528 HA MET 67 HA MET 67 -3.773 5.433 5.963 529 HB2 MET 67 2HB MET 67 -2.605 3.799 4.724 530 HB3 MET 67 3HB MET 67 -2.630 5.221 3.690 531 HG2 MET 67 2HG MET 67 -0.362 5.734 4.235 532 HG3 MET 67 3HG MET 67 -0.316 4.455 5.442 533 HE1 MET 67 3HE MET 67 1.995 4.608 3.491 534 HE2 MET 67 1HE MET 67 2.123 2.947 2.910 535 HE3 MET 67 2HE MET 67 1.771 3.264 4.610 536 H VAL 68 H VAL 68 -0.540 6.655 6.563 537 HA VAL 68 HA VAL 68 0.427 4.695 8.282 538 HB VAL 68 HB VAL 68 0.989 7.654 8.118 539 HG11 VAL 68 1HG1 VAL 68 2.433 5.622 9.819 540 HG12 VAL 68 2HG1 VAL 68 1.438 6.950 10.415 541 HG13 VAL 68 3HG1 VAL 68 2.935 7.290 9.548 542 HG21 VAL 68 3HG2 VAL 68 1.736 6.389 6.214 543 HG22 VAL 68 1HG2 VAL 68 2.501 5.191 7.259 544 HG23 VAL 68 2HG2 VAL 68 3.140 6.831 7.187 545 H ASP 69 H ASP 69 -1.177 7.763 9.158 546 HA ASP 69 HA ASP 69 -1.252 7.124 11.927 547 HB2 ASP 69 2HB ASP 69 -1.299 9.443 11.078 548 HB3 ASP 69 3HB ASP 69 -2.902 9.152 10.406 549 H ALA 70 H ALA 70 -3.513 6.735 9.270 550 HA ALA 70 HA ALA 70 -5.789 6.054 10.758 551 HB1 ALA 70 3HB ALA 70 -5.000 5.102 8.010 552 HB2 ALA 70 1HB ALA 70 -5.864 6.595 8.380 553 HB3 ALA 70 2HB ALA 70 -6.619 5.034 8.706 554 H PHE 71 H PHE 71 -3.244 3.998 9.366 555 HA PHE 71 HA PHE 71 -4.459 1.582 10.212 556 HB2 PHE 71 2HB PHE 71 -1.686 2.211 9.235 557 HB3 PHE 71 3HB PHE 71 -2.191 0.580 9.681 558 HD1 PHE 71 HD2 PHE 71 -4.960 0.568 8.701 559 HD2 PHE 71 HD1 PHE 71 -1.415 2.093 6.916 560 HE1 PHE 71 HE2 PHE 71 -5.961 0.273 6.476 561 HE2 PHE 71 HE1 PHE 71 -2.409 1.802 4.685 562 HZ PHE 71 HZ PHE 71 -4.686 0.891 4.466 563 H LYS 72 H LYS 72 -1.851 3.552 11.631 564 HA LYS 72 HA LYS 72 -1.384 1.632 13.695 565 HB2 LYS 72 2HB LYS 72 0.071 3.288 14.707 566 HB3 LYS 72 3HB LYS 72 0.376 3.166 12.982 567 HG2 LYS 72 2HG LYS 72 -0.912 5.219 12.621 568 HG3 LYS 72 3HG LYS 72 -1.177 5.341 14.363 569 HD2 LYS 72 2HD LYS 72 1.190 5.554 14.761 570 HD3 LYS 72 3HD LYS 72 1.542 5.271 13.056 571 HE2 LYS 72 2HE LYS 72 1.720 7.610 13.458 572 HE3 LYS 72 3HE LYS 72 0.249 7.336 12.525 573 HZ1 LYS 72 3HZ LYS 72 0.568 8.295 15.252 574 HZ2 LYS 72 1HZ LYS 72 -0.726 7.232 14.989 575 HZ3 LYS 72 2HZ LYS 72 -0.622 8.668 14.102 576 H GLY 73 H GLY 73 -3.795 3.967 13.225 577 HA2 GLY 73 2HA GLY 73 -4.448 4.015 16.086 578 HA3 GLY 73 3HA GLY 73 -5.196 5.007 14.843 579 H ASN 74 H ASN 74 -4.983 1.931 13.631 580 HA ASN 74 HA ASN 74 -7.659 1.222 14.640 581 HB2 ASN 74 2HB ASN 74 -6.715 1.292 11.779 582 HB3 ASN 74 3HB ASN 74 -8.101 0.334 12.275 583 HD21 ASN 74 1HD2 ASN 74 -8.999 2.252 14.268 584 HD22 ASN 74 2HD2 ASN 74 -9.674 3.581 13.385 585 H LEU 75 H LEU 75 -4.869 -0.023 12.807 586 HA LEU 75 HA LEU 75 -5.466 -2.717 13.815 587 HB2 LEU 75 2HB LEU 75 -5.197 -2.422 11.364 588 HB3 LEU 75 3HB LEU 75 -3.572 -1.826 11.627 589 HG LEU 75 HG LEU 75 -2.900 -4.018 12.514 590 HD11 LEU 75 1HD1 LEU 75 -5.708 -4.861 11.804 591 HD12 LEU 75 2HD1 LEU 75 -5.038 -4.731 13.431 592 HD13 LEU 75 3HD1 LEU 75 -4.403 -5.935 12.308 593 HD21 LEU 75 3HD2 LEU 75 -2.615 -3.580 10.134 594 HD22 LEU 75 1HD2 LEU 75 -4.249 -4.151 9.814 595 HD23 LEU 75 2HD2 LEU 75 -3.023 -5.271 10.404 596 H GLU 76 H GLU 76 -4.264 -3.561 15.374 597 HA GLU 76 HA GLU 76 -2.594 -3.944 16.862 598 HB2 GLU 76 2HB GLU 76 -1.111 -3.599 14.743 599 HB3 GLU 76 3HB GLU 76 -0.756 -2.031 15.450 600 HG2 GLU 76 2HG GLU 76 -0.208 -4.723 16.679 601 HG3 GLU 76 3HG GLU 76 0.978 -3.609 16.005 602 H HIS 77 H HIS 77 -3.173 -3.114 18.730 603 HA HIS 77 HA HIS 77 -2.533 -0.334 19.315 604 HB2 HIS 77 2HB HIS 77 -4.710 0.174 20.245 605 HB3 HIS 77 3HB HIS 77 -4.899 -0.330 18.573 606 HD1 HIS 77 HD1 HIS 77 -6.788 -0.538 21.370 607 HD2 HIS 77 HD2 HIS 77 -5.276 -3.508 18.881 608 HE1 HIS 77 HE1 HIS 77 -8.265 -2.547 21.725 609 HE2 HIS 77 HE2 HIS 77 -7.484 -4.229 20.016 610 H HIS 78 H HIS 78 -1.463 -2.943 20.040 611 HA HIS 78 HA HIS 78 -1.637 -2.646 22.962 612 HB2 HIS 78 2HB HIS 78 -3.017 -4.632 21.989 613 HB3 HIS 78 3HB HIS 78 -1.449 -5.373 21.694 614 HD1 HIS 78 HD1 HIS 78 -4.012 -5.044 24.210 615 HD2 HIS 78 HD2 HIS 78 0.103 -5.650 24.217 616 HE1 HIS 78 HE1 HIS 78 -3.459 -5.945 26.498 617 HE2 HIS 78 HE2 HIS 78 -0.946 -6.173 26.521 618 H HIS 79 H HIS 79 0.255 -1.535 21.286 619 HA HIS 79 HA HIS 79 2.500 -3.242 20.873 620 HB2 HIS 79 2HB HIS 79 1.793 -0.886 19.806 621 HB3 HIS 79 3HB HIS 79 2.904 -0.301 21.040 622 HD1 HIS 79 HD1 HIS 79 5.330 -0.355 20.451 623 HD2 HIS 79 HD2 HIS 79 3.045 -2.806 17.992 624 HE1 HIS 79 HE1 HIS 79 6.894 -1.165 18.654 625 HE2 HIS 79 HE2 HIS 79 5.421 -2.436 17.043 626 H HIS 80 H HIS 80 1.247 -1.718 23.622 627 HA HIS 80 HA HIS 80 3.828 -1.604 24.992 628 HB2 HIS 80 2HB HIS 80 1.039 -1.039 26.039 629 HB3 HIS 80 3HB HIS 80 2.533 -0.785 26.930 630 HD1 HIS 80 HD1 HIS 80 0.800 1.612 26.672 631 HD2 HIS 80 HD2 HIS 80 3.593 0.598 23.760 632 HE1 HIS 80 HE1 HIS 80 1.268 3.733 25.414 633 HE2 HIS 80 HE2 HIS 80 2.802 3.051 23.539 634 H HIS 81 H HIS 81 4.484 -3.715 25.147 635 HA HIS 81 HA HIS 81 2.619 -5.713 26.197 636 HB2 HIS 81 2HB HIS 81 5.459 -6.023 25.184 637 HB3 HIS 81 3HB HIS 81 4.391 -7.339 25.648 638 HD1 HIS 81 HD1 HIS 81 2.331 -7.801 24.048 639 HD2 HIS 81 HD2 HIS 81 5.137 -5.087 22.614 640 HE1 HIS 81 HE1 HIS 81 1.865 -7.581 21.590 641 HE2 HIS 81 HE2 HIS 81 3.706 -6.105 20.707 642 H HIS 82 H HIS 82 4.033 -7.389 27.659 643 HA HIS 82 HA HIS 82 5.686 -5.876 29.530 644 HB2 HIS 82 2HB HIS 82 4.580 -6.915 31.486 645 HB3 HIS 82 3HB HIS 82 3.513 -5.842 30.596 646 HD1 HIS 82 HD1 HIS 82 1.615 -7.035 29.149 647 HD2 HIS 82 HD2 HIS 82 3.685 -9.480 31.796 648 HE1 HIS 82 HE1 HIS 82 0.202 -9.093 29.411 649 HE2 HIS 82 HE2 HIS 82 1.365 -10.450 31.189 650 H1 MET 1 1H MET 1 -13.071 -29.344 -2.117 651 H2 MET 1 2H MET 1 -13.122 -29.078 -3.792 652 H3 MET 1 3H MET 1 -14.494 -29.658 -2.986 653 HA MET 1 HA MET 1 -14.754 -27.634 -1.793 654 HB2 MET 1 2HB MET 1 -13.311 -25.713 -2.216 655 HB3 MET 1 3HB MET 1 -12.365 -27.062 -1.605 656 HG2 MET 1 2HG MET 1 -11.587 -27.557 -3.852 657 HG3 MET 1 3HG MET 1 -12.568 -26.241 -4.494 658 HE1 MET 1 3HE MET 1 -10.552 -26.275 -1.127 659 HE2 MET 1 1HE MET 1 -9.006 -25.587 -1.627 660 HE3 MET 1 2HE MET 1 -9.493 -27.179 -2.212 661 H LYS 2 H LYS 2 -16.050 -25.983 -2.668 662 HA LYS 2 HA LYS 2 -16.867 -26.565 -5.408 663 HB2 LYS 2 2HB LYS 2 -18.181 -24.816 -3.319 664 HB3 LYS 2 3HB LYS 2 -18.874 -25.273 -4.869 665 HG2 LYS 2 2HG LYS 2 -18.941 -27.598 -4.182 666 HG3 LYS 2 3HG LYS 2 -18.178 -27.180 -2.647 667 HD2 LYS 2 2HD LYS 2 -20.853 -26.175 -3.613 668 HD3 LYS 2 3HD LYS 2 -20.604 -27.440 -2.411 669 HE2 LYS 2 2HE LYS 2 -19.709 -24.571 -2.159 670 HE3 LYS 2 3HE LYS 2 -21.120 -25.278 -1.376 671 HZ1 LYS 2 3HZ LYS 2 -18.299 -26.092 -0.922 672 HZ2 LYS 2 1HZ LYS 2 -19.656 -26.779 -0.173 673 HZ3 LYS 2 2HZ LYS 2 -19.244 -25.162 0.131 674 H LYS 3 H LYS 3 -17.330 -24.867 -6.896 675 HA LYS 3 HA LYS 3 -16.494 -22.182 -6.416 676 HB2 LYS 3 2HB LYS 3 -14.762 -22.123 -8.211 677 HB3 LYS 3 3HB LYS 3 -14.276 -23.039 -6.793 678 HG2 LYS 3 2HG LYS 3 -14.725 -25.123 -7.948 679 HG3 LYS 3 3HG LYS 3 -15.308 -24.236 -9.359 680 HD2 LYS 3 2HD LYS 3 -12.513 -24.014 -8.241 681 HD3 LYS 3 3HD LYS 3 -12.969 -25.067 -9.581 682 HE2 LYS 3 2HE LYS 3 -13.716 -23.101 -10.853 683 HE3 LYS 3 3HE LYS 3 -13.225 -22.061 -9.516 684 HZ1 LYS 3 3HZ LYS 3 -10.964 -22.644 -9.851 685 HZ2 LYS 3 1HZ LYS 3 -11.587 -22.230 -11.374 686 HZ3 LYS 3 2HZ LYS 3 -11.353 -23.863 -10.957 687 H MET 4 H MET 4 -17.785 -20.929 -7.583 688 HA MET 4 HA MET 4 -19.487 -22.146 -9.571 689 HB2 MET 4 2HB MET 4 -19.359 -19.375 -8.392 690 HB3 MET 4 3HB MET 4 -20.423 -19.767 -9.734 691 HG2 MET 4 2HG MET 4 -21.700 -19.883 -7.740 692 HG3 MET 4 3HG MET 4 -21.455 -21.532 -8.308 693 HE1 MET 4 3HE MET 4 -22.142 -22.572 -5.982 694 HE2 MET 4 1HE MET 4 -22.499 -20.942 -5.409 695 HE3 MET 4 2HE MET 4 -21.495 -22.020 -4.438 696 H ALA 5 H ALA 5 -18.345 -22.644 -11.323 697 HA ALA 5 HA ALA 5 -17.375 -22.403 -13.346 698 HB1 ALA 5 3HB ALA 5 -17.709 -19.434 -12.937 699 HB2 ALA 5 1HB ALA 5 -18.873 -20.512 -13.712 700 HB3 ALA 5 2HB ALA 5 -17.297 -20.237 -14.454 701 H GLU 6 H GLU 6 -16.054 -19.430 -11.924 702 HA GLU 6 HA GLU 6 -13.473 -20.762 -11.592 703 HB2 GLU 6 2HB GLU 6 -14.000 -18.354 -13.315 704 HB3 GLU 6 3HB GLU 6 -12.408 -18.666 -12.645 705 HG2 GLU 6 2HG GLU 6 -13.958 -20.444 -14.505 706 HG3 GLU 6 3HG GLU 6 -12.531 -19.487 -14.898 707 H PHE 7 H PHE 7 -11.967 -18.539 -10.984 708 HA PHE 7 HA PHE 7 -12.323 -18.224 -8.291 709 HB2 PHE 7 2HB PHE 7 -11.042 -16.200 -10.133 710 HB3 PHE 7 3HB PHE 7 -10.740 -16.387 -8.408 711 HD1 PHE 7 HD1 PHE 7 -9.691 -18.543 -7.602 712 HD2 PHE 7 HD2 PHE 7 -9.827 -17.420 -11.706 713 HE1 PHE 7 HE1 PHE 7 -7.869 -20.122 -8.093 714 HE2 PHE 7 HE2 PHE 7 -8.010 -19.002 -12.202 715 HZ PHE 7 HZ PHE 7 -7.028 -20.356 -10.393 716 H THR 8 H THR 8 -13.214 -16.728 -6.941 717 HA THR 8 HA THR 8 -14.847 -14.595 -8.139 718 HB THR 8 HB THR 8 -15.697 -16.288 -5.779 719 HG1 THR 8 HG1 THR 8 -15.742 -16.969 -8.309 720 HG21 THR 8 3HG2 THR 8 -17.865 -15.198 -6.088 721 HG22 THR 8 1HG2 THR 8 -17.202 -14.244 -7.418 722 HG23 THR 8 2HG2 THR 8 -16.597 -14.013 -5.777 723 H PHE 9 H PHE 9 -14.426 -12.637 -7.254 724 HA PHE 9 HA PHE 9 -13.235 -12.595 -4.565 725 HB2 PHE 9 2HB PHE 9 -11.818 -10.742 -5.173 726 HB3 PHE 9 3HB PHE 9 -11.554 -12.051 -6.316 727 HD1 PHE 9 HD2 PHE 9 -12.442 -11.865 -8.625 728 HD2 PHE 9 HD1 PHE 9 -12.644 -8.640 -5.857 729 HE1 PHE 9 HE2 PHE 9 -12.840 -10.296 -10.479 730 HE2 PHE 9 HE1 PHE 9 -13.041 -7.069 -7.703 731 HZ PHE 9 HZ PHE 9 -13.139 -7.895 -10.017 732 H GLU 10 H GLU 10 -13.863 -10.911 -3.192 733 HA GLU 10 HA GLU 10 -16.013 -9.160 -4.105 734 HB2 GLU 10 2HB GLU 10 -16.954 -11.407 -3.303 735 HB3 GLU 10 3HB GLU 10 -16.417 -10.933 -1.700 736 HG2 GLU 10 2HG GLU 10 -18.703 -10.395 -1.836 737 HG3 GLU 10 3HG GLU 10 -17.825 -8.871 -1.949 738 H ILE 11 H ILE 11 -15.779 -7.198 -3.213 739 HA ILE 11 HA ILE 11 -13.904 -6.785 -1.054 740 HB ILE 11 HB ILE 11 -15.767 -4.769 -2.331 741 HG12 ILE 11 2HG1 ILE 11 -12.870 -5.374 -2.966 742 HG13 ILE 11 3HG1 ILE 11 -14.239 -5.818 -3.978 743 HG21 ILE 11 1HG2 ILE 11 -14.944 -4.054 -0.172 744 HG22 ILE 11 2HG2 ILE 11 -14.159 -3.121 -1.447 745 HG23 ILE 11 3HG2 ILE 11 -13.289 -4.429 -0.647 746 HD11 ILE 11 3HD1 ILE 11 -14.753 -3.468 -4.330 747 HD12 ILE 11 1HD1 ILE 11 -13.097 -3.838 -4.814 748 HD13 ILE 11 2HD1 ILE 11 -13.405 -3.008 -3.287 749 H GLU 12 H GLU 12 -14.653 -7.650 0.793 750 HA GLU 12 HA GLU 12 -17.410 -7.326 1.615 751 HB2 GLU 12 2HB GLU 12 -15.029 -8.764 2.766 752 HB3 GLU 12 3HB GLU 12 -16.541 -8.622 3.650 753 HG2 GLU 12 2HG GLU 12 -16.434 -9.763 0.882 754 HG3 GLU 12 3HG GLU 12 -16.140 -10.747 2.314 755 H GLU 13 H GLU 13 -14.257 -6.030 2.464 756 HA GLU 13 HA GLU 13 -15.554 -4.374 4.518 757 HB2 GLU 13 2HB GLU 13 -14.261 -6.399 5.397 758 HB3 GLU 13 3HB GLU 13 -12.811 -5.572 4.854 759 HG2 GLU 13 2HG GLU 13 -13.273 -3.723 6.346 760 HG3 GLU 13 3HG GLU 13 -14.786 -4.483 6.845 761 H HIS 14 H HIS 14 -14.830 -2.307 4.707 762 HA HIS 14 HA HIS 14 -12.727 -1.458 2.811 763 HB2 HIS 14 2HB HIS 14 -15.020 0.176 3.938 764 HB3 HIS 14 3HB HIS 14 -13.789 0.768 2.829 765 HD1 HIS 14 HD1 HIS 14 -17.100 -0.643 2.914 766 HD2 HIS 14 HD2 HIS 14 -13.933 -0.644 0.214 767 HE1 HIS 14 HE1 HIS 14 -18.092 -1.320 0.703 768 HE2 HIS 14 HE2 HIS 14 -16.201 -1.111 -0.950 769 H LEU 15 H LEU 15 -10.997 -0.350 3.617 770 HA LEU 15 HA LEU 15 -10.805 -0.190 6.521 771 HB2 LEU 15 2HB LEU 15 -8.743 0.244 4.360 772 HB3 LEU 15 3HB LEU 15 -8.418 0.351 6.079 773 HG LEU 15 HG LEU 15 -9.336 -2.135 4.631 774 HD11 LEU 15 1HD1 LEU 15 -7.088 -1.597 4.007 775 HD12 LEU 15 2HD1 LEU 15 -7.050 -2.928 5.161 776 HD13 LEU 15 3HD1 LEU 15 -6.647 -1.296 5.686 777 HD21 LEU 15 3HD2 LEU 15 -8.861 -3.272 6.737 778 HD22 LEU 15 1HD2 LEU 15 -10.106 -2.041 6.954 779 HD23 LEU 15 2HD2 LEU 15 -8.454 -1.730 7.488 780 H LEU 16 H LEU 16 -9.680 1.958 3.923 781 HA LEU 16 HA LEU 16 -11.281 4.136 4.816 782 HB2 LEU 16 2HB LEU 16 -9.543 5.637 5.543 783 HB3 LEU 16 3HB LEU 16 -9.523 4.202 6.549 784 HG LEU 16 HG LEU 16 -7.687 4.084 4.258 785 HD11 LEU 16 1HD1 LEU 16 -7.497 6.460 4.775 786 HD12 LEU 16 2HD1 LEU 16 -6.042 5.593 5.266 787 HD13 LEU 16 3HD1 LEU 16 -7.230 6.079 6.476 788 HD21 LEU 16 3HD2 LEU 16 -7.308 3.680 7.224 789 HD22 LEU 16 1HD2 LEU 16 -6.189 3.203 5.949 790 HD23 LEU 16 2HD2 LEU 16 -7.765 2.422 6.074 791 H THR 17 H THR 17 -11.444 5.679 3.259 792 HA THR 17 HA THR 17 -10.065 5.282 0.768 793 HB THR 17 HB THR 17 -11.835 7.588 1.607 794 HG1 THR 17 HG1 THR 17 -12.596 5.307 0.064 795 HG21 THR 17 3HG2 THR 17 -10.452 8.048 -0.371 796 HG22 THR 17 1HG2 THR 17 -12.158 7.918 -0.793 797 HG23 THR 17 2HG2 THR 17 -11.060 6.581 -1.135 798 H LEU 18 H LEU 18 -8.052 5.949 0.465 799 HA LEU 18 HA LEU 18 -6.623 7.527 2.281 800 HB2 LEU 18 2HB LEU 18 -5.998 7.000 -0.627 801 HB3 LEU 18 3HB LEU 18 -4.866 7.612 0.563 802 HG LEU 18 HG LEU 18 -6.152 4.881 0.587 803 HD11 LEU 18 1HD1 LEU 18 -4.465 5.153 -1.154 804 HD12 LEU 18 2HD1 LEU 18 -3.900 4.075 0.124 805 HD13 LEU 18 3HD1 LEU 18 -3.314 5.737 0.048 806 HD21 LEU 18 3HD2 LEU 18 -5.776 5.713 2.850 807 HD22 LEU 18 1HD2 LEU 18 -4.105 6.098 2.442 808 HD23 LEU 18 2HD2 LEU 18 -4.643 4.419 2.461 809 H SER 19 H SER 19 -7.310 8.400 -1.090 810 HA SER 19 HA SER 19 -8.398 10.952 -0.397 811 HB2 SER 19 2HB SER 19 -5.639 10.870 -1.658 812 HB3 SER 19 3HB SER 19 -6.646 12.310 -1.536 813 HG SER 19 HG SER 19 -6.288 11.008 0.852 814 H GLU 20 H GLU 20 -9.290 12.017 -2.228 815 HA GLU 20 HA GLU 20 -9.534 10.405 -4.619 816 HB2 GLU 20 2HB GLU 20 -11.150 11.927 -5.356 817 HB3 GLU 20 3HB GLU 20 -11.357 11.974 -3.612 818 HG2 GLU 20 2HG GLU 20 -9.949 14.011 -3.552 819 HG3 GLU 20 3HG GLU 20 -9.894 13.975 -5.315 820 H ASN 21 H ASN 21 -8.660 10.970 -6.645 821 HA ASN 21 HA ASN 21 -6.305 12.704 -6.415 822 HB2 ASN 21 2HB ASN 21 -6.986 10.415 -8.246 823 HB3 ASN 21 3HB ASN 21 -5.732 11.572 -8.681 824 HD21 ASN 21 1HD2 ASN 21 -6.278 10.821 -5.341 825 HD22 ASN 21 2HD2 ASN 21 -4.839 9.890 -5.099 826 H GLU 22 H GLU 22 -5.890 14.303 -7.951 827 HA GLU 22 HA GLU 22 -8.264 15.762 -8.513 828 HB2 GLU 22 2HB GLU 22 -6.434 17.345 -9.604 829 HB3 GLU 22 3HB GLU 22 -6.652 17.221 -7.865 830 HG2 GLU 22 2HG GLU 22 -4.299 17.186 -8.486 831 HG3 GLU 22 3HG GLU 22 -4.787 15.683 -7.708 832 H LYS 23 H LYS 23 -7.135 13.309 -10.244 833 HA LYS 23 HA LYS 23 -7.747 14.473 -12.853 834 HB2 LYS 23 2HB LYS 23 -7.059 11.622 -12.106 835 HB3 LYS 23 3HB LYS 23 -7.242 12.236 -13.743 836 HG2 LYS 23 2HG LYS 23 -5.126 13.038 -11.756 837 HG3 LYS 23 3HG LYS 23 -4.905 12.007 -13.170 838 HD2 LYS 23 2HD LYS 23 -5.637 13.940 -14.586 839 HD3 LYS 23 3HD LYS 23 -5.610 14.939 -13.130 840 HE2 LYS 23 2HE LYS 23 -3.285 13.486 -14.386 841 HE3 LYS 23 3HE LYS 23 -3.542 15.229 -14.330 842 HZ1 LYS 23 3HZ LYS 23 -1.942 14.484 -12.666 843 HZ2 LYS 23 1HZ LYS 23 -3.111 13.477 -11.966 844 HZ3 LYS 23 2HZ LYS 23 -3.316 15.161 -11.930 845 H GLY 24 H GLY 24 -9.482 13.562 -10.277 846 HA2 GLY 24 2HA GLY 24 -11.817 13.269 -10.208 847 HA3 GLY 24 3HA GLY 24 -11.787 12.747 -11.888 848 H TRP 25 H TRP 25 -9.390 11.394 -9.905 849 HA TRP 25 HA TRP 25 -10.717 8.787 -10.135 850 HB2 TRP 25 2HB TRP 25 -7.810 9.474 -9.625 851 HB3 TRP 25 3HB TRP 25 -8.451 7.842 -9.760 852 HD1 TRP 25 HD1 TRP 25 -10.023 10.050 -12.302 853 HE1 TRP 25 HE1 TRP 25 -8.942 9.683 -14.608 854 HE3 TRP 25 HE3 TRP 25 -5.950 7.317 -10.853 855 HZ2 TRP 25 HZ2 TRP 25 -6.664 8.394 -15.669 856 HZ3 TRP 25 HZ3 TRP 25 -4.371 6.554 -12.577 857 HH2 TRP 25 HH2 TRP 25 -4.722 7.081 -14.935 858 H THR 26 H THR 26 -10.360 7.243 -8.318 859 HA THR 26 HA THR 26 -10.012 8.636 -5.746 860 HB THR 26 HB THR 26 -11.981 6.377 -6.117 861 HG1 THR 26 HG1 THR 26 -12.204 9.053 -6.789 862 HG21 THR 26 3HG2 THR 26 -11.204 6.802 -3.839 863 HG22 THR 26 1HG2 THR 26 -12.898 7.262 -4.015 864 HG23 THR 26 2HG2 THR 26 -11.645 8.504 -3.996 865 H LYS 27 H LYS 27 -8.816 7.537 -4.215 866 HA LYS 27 HA LYS 27 -7.866 4.855 -4.940 867 HB2 LYS 27 2HB LYS 27 -6.263 6.622 -5.699 868 HB3 LYS 27 3HB LYS 27 -6.079 7.111 -4.021 869 HG2 LYS 27 2HG LYS 27 -5.077 5.026 -3.447 870 HG3 LYS 27 3HG LYS 27 -5.447 4.351 -5.037 871 HD2 LYS 27 2HD LYS 27 -3.113 5.007 -4.932 872 HD3 LYS 27 3HD LYS 27 -3.981 6.044 -6.069 873 HE2 LYS 27 2HE LYS 27 -4.249 7.675 -4.151 874 HE3 LYS 27 3HE LYS 27 -3.084 6.685 -3.275 875 HZ1 LYS 27 3HZ LYS 27 -1.469 7.094 -5.022 876 HZ2 LYS 27 1HZ LYS 27 -2.027 8.559 -4.365 877 HZ3 LYS 27 2HZ LYS 27 -2.594 8.033 -5.873 878 H GLU 28 H GLU 28 -7.988 3.479 -3.297 879 HA GLU 28 HA GLU 28 -7.704 4.391 -0.560 880 HB2 GLU 28 2HB GLU 28 -9.883 3.366 0.113 881 HB3 GLU 28 3HB GLU 28 -10.031 4.833 -0.842 882 HG2 GLU 28 2HG GLU 28 -10.528 3.512 -2.822 883 HG3 GLU 28 3HG GLU 28 -10.340 2.028 -1.889 884 H ILE 29 H ILE 29 -8.364 2.351 0.905 885 HA ILE 29 HA ILE 29 -7.136 -0.028 -0.325 886 HB ILE 29 HB ILE 29 -6.719 0.866 2.537 887 HG12 ILE 29 2HG1 ILE 29 -4.815 1.005 0.183 888 HG13 ILE 29 3HG1 ILE 29 -5.625 2.386 0.912 889 HG21 ILE 29 1HG2 ILE 29 -6.601 -1.546 2.221 890 HG22 ILE 29 2HG2 ILE 29 -4.998 -0.887 2.557 891 HG23 ILE 29 3HG2 ILE 29 -5.442 -1.333 0.910 892 HD11 ILE 29 3HD1 ILE 29 -3.631 0.595 2.279 893 HD12 ILE 29 1HD1 ILE 29 -4.425 2.000 2.993 894 HD13 ILE 29 2HD1 ILE 29 -3.313 2.208 1.639 895 H ASN 30 H ASN 30 -8.210 -1.888 -0.031 896 HA ASN 30 HA ASN 30 -10.444 -1.941 1.879 897 HB2 ASN 30 2HB ASN 30 -11.726 -3.157 -0.021 898 HB3 ASN 30 3HB ASN 30 -11.617 -1.402 -0.068 899 HD21 ASN 30 1HD2 ASN 30 -10.447 -4.384 -1.469 900 HD22 ASN 30 2HD2 ASN 30 -9.790 -3.678 -2.901 901 H ARG 31 H ARG 31 -11.434 -4.231 1.911 902 HA ARG 31 HA ARG 31 -9.279 -6.232 1.736 903 HB2 ARG 31 2HB ARG 31 -11.654 -6.074 3.593 904 HB3 ARG 31 3HB ARG 31 -10.676 -7.523 3.415 905 HG2 ARG 31 2HG ARG 31 -8.704 -6.261 4.153 906 HG3 ARG 31 3HG ARG 31 -9.720 -4.837 4.380 907 HD2 ARG 31 2HD ARG 31 -9.337 -5.996 6.495 908 HD3 ARG 31 3HD ARG 31 -11.041 -6.032 6.048 909 HE ARG 31 HE ARG 31 -10.435 -8.363 5.146 910 HH11 ARG 31 1HH1 ARG 31 -9.038 -6.893 7.997 911 HH12 ARG 31 2HH1 ARG 31 -8.672 -8.409 8.758 912 HH21 ARG 31 1HH2 ARG 31 -9.980 -10.359 6.156 913 HH22 ARG 31 2HH2 ARG 31 -9.241 -10.385 7.724 914 H VAL 32 H VAL 32 -9.551 -7.939 0.446 915 HA VAL 32 HA VAL 32 -12.196 -8.295 -0.821 916 HB VAL 32 HB VAL 32 -9.515 -8.684 -2.165 917 HG11 VAL 32 1HG1 VAL 32 -11.250 -10.137 -3.048 918 HG12 VAL 32 2HG1 VAL 32 -10.842 -8.881 -4.218 919 HG13 VAL 32 3HG1 VAL 32 -12.321 -8.753 -3.264 920 HG21 VAL 32 3HG2 VAL 32 -10.078 -6.681 -3.473 921 HG22 VAL 32 1HG2 VAL 32 -9.891 -6.327 -1.755 922 HG23 VAL 32 2HG2 VAL 32 -11.503 -6.440 -2.461 923 H SER 33 H SER 33 -13.037 -10.251 -0.538 924 HA SER 33 HA SER 33 -11.449 -12.425 0.506 925 HB2 SER 33 2HB SER 33 -14.349 -12.416 -0.373 926 HB3 SER 33 3HB SER 33 -13.562 -13.621 0.648 927 HG SER 33 HG SER 33 -14.751 -12.095 1.870 928 H PHE 34 H PHE 34 -10.943 -14.339 -0.571 929 HA PHE 34 HA PHE 34 -11.361 -14.277 -3.488 930 HB2 PHE 34 2HB PHE 34 -8.912 -15.205 -1.971 931 HB3 PHE 34 3HB PHE 34 -9.146 -15.398 -3.705 932 HD1 PHE 34 HD2 PHE 34 -9.512 -13.265 -5.079 933 HD2 PHE 34 HD1 PHE 34 -7.942 -13.278 -1.123 934 HE1 PHE 34 HE2 PHE 34 -8.550 -11.033 -5.458 935 HE2 PHE 34 HE1 PHE 34 -6.976 -11.047 -1.497 936 HZ PHE 34 HZ PHE 34 -7.277 -9.921 -3.665 937 H ASN 35 H ASN 35 -12.853 -15.743 -3.892 938 HA ASN 35 HA ASN 35 -13.951 -17.710 -4.080 939 HB2 ASN 35 2HB ASN 35 -11.298 -18.920 -3.266 940 HB3 ASN 35 3HB ASN 35 -12.656 -19.812 -3.946 941 HD21 ASN 35 1HD2 ASN 35 -10.013 -17.700 -4.585 942 HD22 ASN 35 2HD2 ASN 35 -10.136 -17.717 -6.308 943 H GLY 36 H GLY 36 -11.967 -19.154 -1.599 944 HA2 GLY 36 2HA GLY 36 -14.174 -18.817 0.326 945 HA3 GLY 36 3HA GLY 36 -13.413 -20.383 0.073 946 H ALA 37 H ALA 37 -11.391 -17.650 -0.178 947 HA ALA 37 HA ALA 37 -10.118 -18.344 2.374 948 HB1 ALA 37 3HB ALA 37 -8.134 -17.236 1.488 949 HB2 ALA 37 1HB ALA 37 -9.028 -16.748 0.049 950 HB3 ALA 37 2HB ALA 37 -8.711 -18.455 0.356 951 HA PRO 38 HA PRO 38 -11.402 -14.688 4.472 952 HB2 PRO 38 2HB PRO 38 -8.935 -13.890 5.512 953 HB3 PRO 38 3HB PRO 38 -10.058 -15.024 6.267 954 HG2 PRO 38 2HG PRO 38 -7.630 -15.566 4.621 955 HG3 PRO 38 3HG PRO 38 -8.240 -16.434 6.042 956 HD2 PRO 38 2HD PRO 38 -8.554 -17.427 3.583 957 HD3 PRO 38 3HD PRO 38 -9.836 -17.587 4.804 958 H ALA 39 H ALA 39 -11.481 -12.493 4.232 959 HA ALA 39 HA ALA 39 -10.656 -11.395 1.787 960 HB1 ALA 39 3HB ALA 39 -11.566 -9.958 4.280 961 HB2 ALA 39 1HB ALA 39 -12.616 -10.594 3.013 962 HB3 ALA 39 2HB ALA 39 -11.499 -9.276 2.654 963 H LYS 40 H LYS 40 -8.708 -10.785 1.193 964 HA LYS 40 HA LYS 40 -6.721 -10.104 3.225 965 HB2 LYS 40 2HB LYS 40 -6.444 -10.621 0.258 966 HB3 LYS 40 3HB LYS 40 -5.105 -10.251 1.339 967 HG2 LYS 40 2HG LYS 40 -5.558 -12.276 2.613 968 HG3 LYS 40 3HG LYS 40 -6.919 -12.647 1.554 969 HD2 LYS 40 2HD LYS 40 -5.419 -12.859 -0.344 970 HD3 LYS 40 3HD LYS 40 -4.044 -12.395 0.664 971 HE2 LYS 40 2HE LYS 40 -4.398 -14.381 2.049 972 HE3 LYS 40 3HE LYS 40 -5.767 -14.844 1.040 973 HZ1 LYS 40 3HZ LYS 40 -3.006 -14.510 0.000 974 HZ2 LYS 40 1HZ LYS 40 -4.332 -15.202 -0.802 975 HZ3 LYS 40 2HZ LYS 40 -3.630 -15.994 0.524 976 H PHE 41 H PHE 41 -5.104 -8.315 2.289 977 HA PHE 41 HA PHE 41 -6.816 -5.963 2.109 978 HB2 PHE 41 2HB PHE 41 -3.849 -6.201 2.652 979 HB3 PHE 41 3HB PHE 41 -4.789 -4.714 2.736 980 HD1 PHE 41 HD2 PHE 41 -6.521 -4.455 4.488 981 HD2 PHE 41 HD1 PHE 41 -3.841 -7.756 4.452 982 HE1 PHE 41 HE2 PHE 41 -7.068 -4.917 6.842 983 HE2 PHE 41 HE1 PHE 41 -4.386 -8.227 6.801 984 HZ PHE 41 HZ PHE 41 -5.998 -6.808 8.003 985 H ASP 42 H ASP 42 -6.792 -4.523 0.435 986 HA ASP 42 HA ASP 42 -4.898 -4.937 -1.754 987 HB2 ASP 42 2HB ASP 42 -6.854 -6.365 -2.250 988 HB3 ASP 42 3HB ASP 42 -7.907 -4.963 -2.114 989 H ILE 43 H ILE 43 -4.149 -3.046 -2.417 990 HA ILE 43 HA ILE 43 -5.642 -0.591 -1.786 991 HB ILE 43 HB ILE 43 -2.819 -0.831 -2.852 992 HG12 ILE 43 2HG1 ILE 43 -3.733 -0.437 0.007 993 HG13 ILE 43 3HG1 ILE 43 -3.038 -1.921 -0.642 994 HG21 ILE 43 1HG2 ILE 43 -3.877 1.326 -3.266 995 HG22 ILE 43 2HG2 ILE 43 -2.591 1.479 -2.069 996 HG23 ILE 43 3HG2 ILE 43 -4.277 1.469 -1.558 997 HD11 ILE 43 3HD1 ILE 43 -1.403 -0.644 0.623 998 HD12 ILE 43 1HD1 ILE 43 -1.646 0.741 -0.442 999 HD13 ILE 43 2HD1 ILE 43 -0.946 -0.748 -1.077 1000 H ARG 44 H ARG 44 -6.708 0.478 -3.398 1001 HA ARG 44 HA ARG 44 -6.077 -0.273 -6.164 1002 HB2 ARG 44 2HB ARG 44 -8.045 -1.528 -4.754 1003 HB3 ARG 44 3HB ARG 44 -8.945 -0.232 -5.529 1004 HG2 ARG 44 2HG ARG 44 -8.332 -0.993 -7.695 1005 HG3 ARG 44 3HG ARG 44 -7.155 -2.130 -7.030 1006 HD2 ARG 44 2HD ARG 44 -9.030 -3.293 -5.881 1007 HD3 ARG 44 3HD ARG 44 -10.152 -2.230 -6.726 1008 HE ARG 44 HE ARG 44 -9.549 -3.283 -8.769 1009 HH11 ARG 44 1HH1 ARG 44 -8.057 -4.739 -5.951 1010 HH12 ARG 44 2HH1 ARG 44 -7.839 -6.289 -6.722 1011 HH21 ARG 44 1HH2 ARG 44 -9.268 -5.313 -9.778 1012 HH22 ARG 44 2HH2 ARG 44 -8.525 -6.621 -8.888 1013 H ALA 45 H ALA 45 -6.621 1.204 -7.711 1014 HA ALA 45 HA ALA 45 -7.849 3.716 -6.790 1015 HB1 ALA 45 3HB ALA 45 -5.947 3.292 -9.096 1016 HB2 ALA 45 1HB ALA 45 -5.532 3.993 -7.531 1017 HB3 ALA 45 2HB ALA 45 -6.654 4.832 -8.603 1018 H TRP 46 H TRP 46 -9.579 4.512 -7.898 1019 HA TRP 46 HA TRP 46 -10.765 2.641 -9.831 1020 HB2 TRP 46 2HB TRP 46 -12.161 4.640 -8.045 1021 HB3 TRP 46 3HB TRP 46 -12.938 3.454 -9.089 1022 HD1 TRP 46 HD1 TRP 46 -11.624 3.900 -5.637 1023 HE1 TRP 46 HE1 TRP 46 -11.755 1.677 -4.341 1024 HE3 TRP 46 HE3 TRP 46 -12.641 0.750 -9.532 1025 HZ2 TRP 46 HZ2 TRP 46 -12.228 -1.043 -4.896 1026 HZ3 TRP 46 HZ3 TRP 46 -12.920 -1.649 -9.064 1027 HH2 TRP 46 HH2 TRP 46 -12.716 -2.528 -6.792 1028 H SER 47 H SER 47 -11.464 3.303 -11.755 1029 HA SER 47 HA SER 47 -10.784 6.026 -12.582 1030 HB2 SER 47 2HB SER 47 -9.798 4.195 -13.884 1031 HB3 SER 47 3HB SER 47 -11.402 3.541 -14.203 1032 HG SER 47 HG SER 47 -10.406 6.068 -15.068 1033 HA PRO 48 HA PRO 48 -15.150 6.909 -12.721 1034 HB2 PRO 48 2HB PRO 48 -15.009 9.425 -13.634 1035 HB3 PRO 48 3HB PRO 48 -14.468 9.001 -12.004 1036 HG2 PRO 48 2HG PRO 48 -12.851 9.453 -14.480 1037 HG3 PRO 48 3HG PRO 48 -12.530 9.992 -12.822 1038 HD2 PRO 48 2HD PRO 48 -11.367 7.786 -13.983 1039 HD3 PRO 48 3HD PRO 48 -11.582 7.993 -12.235 1040 H ASP 49 H ASP 49 -13.050 7.071 -15.520 1041 HA ASP 49 HA ASP 49 -15.137 6.364 -17.331 1042 HB2 ASP 49 2HB ASP 49 -15.632 8.789 -16.936 1043 HB3 ASP 49 3HB ASP 49 -14.040 9.178 -17.573 1044 H HIS 50 H HIS 50 -14.361 5.917 -19.435 1045 HA HIS 50 HA HIS 50 -12.915 5.658 -21.178 1046 HB2 HIS 50 2HB HIS 50 -11.924 7.912 -20.081 1047 HB3 HIS 50 3HB HIS 50 -10.552 6.837 -19.848 1048 HD1 HIS 50 HD1 HIS 50 -9.173 6.216 -21.911 1049 HD2 HIS 50 HD2 HIS 50 -12.587 8.432 -22.783 1050 HE1 HIS 50 HE1 HIS 50 -8.919 6.948 -24.302 1051 HE2 HIS 50 HE2 HIS 50 -10.896 8.454 -24.737 1052 H THR 51 H THR 51 -12.388 4.554 -18.071 1053 HA THR 51 HA THR 51 -11.492 2.669 -17.206 1054 HB THR 51 HB THR 51 -10.936 1.790 -20.046 1055 HG1 THR 51 HG1 THR 51 -13.048 0.603 -19.508 1056 HG21 THR 51 3HG2 THR 51 -11.355 0.224 -17.492 1057 HG22 THR 51 1HG2 THR 51 -9.817 0.448 -18.327 1058 HG23 THR 51 2HG2 THR 51 -11.114 -0.469 -19.096 1059 H LYS 52 H LYS 52 -9.798 4.075 -16.373 1060 HA LYS 52 HA LYS 52 -7.196 3.306 -17.527 1061 HB2 LYS 52 2HB LYS 52 -7.927 5.885 -16.149 1062 HB3 LYS 52 3HB LYS 52 -6.273 5.384 -16.442 1063 HG2 LYS 52 2HG LYS 52 -6.866 5.269 -18.891 1064 HG3 LYS 52 3HG LYS 52 -8.372 6.089 -18.463 1065 HD2 LYS 52 2HD LYS 52 -7.165 7.972 -17.588 1066 HD3 LYS 52 3HD LYS 52 -5.625 7.135 -17.800 1067 HE2 LYS 52 2HE LYS 52 -6.059 7.095 -20.247 1068 HE3 LYS 52 3HE LYS 52 -7.502 8.069 -19.965 1069 HZ1 LYS 52 3HZ LYS 52 -6.116 9.811 -19.046 1070 HZ2 LYS 52 1HZ LYS 52 -5.609 9.430 -20.621 1071 HZ3 LYS 52 2HZ LYS 52 -4.723 8.874 -19.286 1072 H MET 53 H MET 53 -5.780 2.365 -16.199 1073 HA MET 53 HA MET 53 -6.757 1.752 -13.508 1074 HB2 MET 53 2HB MET 53 -4.567 0.457 -15.141 1075 HB3 MET 53 3HB MET 53 -5.073 -0.062 -13.540 1076 HG2 MET 53 2HG MET 53 -7.313 -0.549 -14.418 1077 HG3 MET 53 3HG MET 53 -6.779 -0.058 -16.022 1078 HE1 MET 53 3HE MET 53 -5.214 -3.767 -13.764 1079 HE2 MET 53 1HE MET 53 -6.473 -2.691 -13.156 1080 HE3 MET 53 2HE MET 53 -4.809 -2.120 -13.282 1081 H GLY 54 H GLY 54 -6.076 3.047 -11.966 1082 HA2 GLY 54 2HA GLY 54 -3.549 4.459 -12.199 1083 HA3 GLY 54 3HA GLY 54 -4.759 4.680 -10.945 1084 H LYS 55 H LYS 55 -3.057 1.786 -12.052 1085 HA LYS 55 HA LYS 55 -1.752 0.262 -11.029 1086 HB2 LYS 55 2HB LYS 55 -1.171 2.638 -9.287 1087 HB3 LYS 55 3HB LYS 55 -0.418 1.074 -9.009 1088 HG2 LYS 55 2HG LYS 55 0.592 1.124 -11.203 1089 HG3 LYS 55 3HG LYS 55 -0.237 2.635 -11.581 1090 HD2 LYS 55 2HD LYS 55 1.006 3.825 -9.955 1091 HD3 LYS 55 3HD LYS 55 1.648 2.337 -9.257 1092 HE2 LYS 55 2HE LYS 55 3.339 3.443 -10.603 1093 HE3 LYS 55 3HE LYS 55 2.877 1.907 -11.336 1094 HZ1 LYS 55 3HZ LYS 55 3.088 3.712 -12.959 1095 HZ2 LYS 55 1HZ LYS 55 1.852 4.571 -12.175 1096 HZ3 LYS 55 2HZ LYS 55 1.514 3.084 -12.920 1097 H GLY 56 H GLY 56 -1.240 -0.524 -8.521 1098 HA2 GLY 56 2HA GLY 56 -3.092 -0.538 -6.541 1099 HA3 GLY 56 3HA GLY 56 -3.801 -1.607 -7.746 1100 H ILE 57 H ILE 57 -2.996 -2.417 -5.129 1101 HA ILE 57 HA ILE 57 -1.211 -4.566 -5.839 1102 HB ILE 57 HB ILE 57 0.476 -2.909 -5.366 1103 HG12 ILE 57 2HG1 ILE 57 0.170 -4.834 -3.047 1104 HG13 ILE 57 3HG1 ILE 57 0.933 -5.190 -4.593 1105 HG21 ILE 57 1HG2 ILE 57 -0.913 -2.497 -2.722 1106 HG22 ILE 57 2HG2 ILE 57 -0.816 -1.343 -4.052 1107 HG23 ILE 57 3HG2 ILE 57 0.643 -1.803 -3.173 1108 HD11 ILE 57 3HD1 ILE 57 2.584 -4.797 -2.864 1109 HD12 ILE 57 1HD1 ILE 57 1.905 -3.198 -2.561 1110 HD13 ILE 57 2HD1 ILE 57 2.673 -3.548 -4.109 1111 H THR 58 H THR 58 -1.663 -6.341 -4.705 1112 HA THR 58 HA THR 58 -3.496 -6.165 -2.441 1113 HB THR 58 HB THR 58 -2.510 -8.659 -3.837 1114 HG1 THR 58 HG1 THR 58 -4.570 -6.821 -4.509 1115 HG21 THR 58 3HG2 THR 58 -3.626 -8.986 -1.657 1116 HG22 THR 58 1HG2 THR 58 -4.565 -9.656 -2.992 1117 HG23 THR 58 2HG2 THR 58 -5.036 -8.120 -2.266 1118 H LEU 59 H LEU 59 -3.008 -7.021 -0.407 1119 HA LEU 59 HA LEU 59 -0.266 -7.988 0.044 1120 HB2 LEU 59 2HB LEU 59 -1.649 -5.940 1.781 1121 HB3 LEU 59 3HB LEU 59 -0.060 -6.623 2.054 1122 HG LEU 59 HG LEU 59 0.424 -5.558 -0.328 1123 HD11 LEU 59 1HD1 LEU 59 -1.773 -3.818 0.771 1124 HD12 LEU 59 2HD1 LEU 59 -1.841 -4.770 -0.712 1125 HD13 LEU 59 3HD1 LEU 59 -0.717 -3.416 -0.584 1126 HD21 LEU 59 3HD2 LEU 59 1.287 -3.589 0.823 1127 HD22 LEU 59 1HD2 LEU 59 1.611 -5.057 1.744 1128 HD23 LEU 59 2HD2 LEU 59 0.304 -3.977 2.235 1129 H SER 60 H SER 60 -0.042 -9.458 1.737 1130 HA SER 60 HA SER 60 -2.488 -10.707 2.650 1131 HB2 SER 60 2HB SER 60 0.332 -11.398 3.496 1132 HB3 SER 60 3HB SER 60 -1.092 -12.435 3.530 1133 HG SER 60 HG SER 60 0.389 -11.522 1.300 1134 H ASN 61 H ASN 61 -2.681 -11.264 5.017 1135 HA ASN 61 HA ASN 61 -2.995 -8.916 6.472 1136 HB2 ASN 61 2HB ASN 61 -3.261 -10.532 8.471 1137 HB3 ASN 61 3HB ASN 61 -4.404 -10.636 7.140 1138 HD21 ASN 61 1HD2 ASN 61 -4.922 -12.739 7.743 1139 HD22 ASN 61 2HD2 ASN 61 -3.868 -14.071 7.403 1140 H GLU 62 H GLU 62 -0.468 -11.398 6.835 1141 HA GLU 62 HA GLU 62 0.794 -10.089 9.005 1142 HB2 GLU 62 2HB GLU 62 1.039 -12.505 8.484 1143 HB3 GLU 62 3HB GLU 62 2.000 -12.074 7.075 1144 HG2 GLU 62 2HG GLU 62 3.737 -11.184 8.423 1145 HG3 GLU 62 3HG GLU 62 2.741 -11.284 9.876 1146 H GLU 63 H GLU 63 1.363 -10.024 5.510 1147 HA GLU 63 HA GLU 63 3.678 -8.436 5.499 1148 HB2 GLU 63 2HB GLU 63 1.434 -8.400 3.461 1149 HB3 GLU 63 3HB GLU 63 3.095 -7.889 3.195 1150 HG2 GLU 63 2HG GLU 63 3.856 -10.189 3.534 1151 HG3 GLU 63 3HG GLU 63 2.188 -10.698 3.795 1152 H PHE 64 H PHE 64 0.261 -7.616 5.469 1153 HA PHE 64 HA PHE 64 0.487 -4.813 5.395 1154 HB2 PHE 64 2HB PHE 64 -1.554 -6.429 5.101 1155 HB3 PHE 64 3HB PHE 64 -1.731 -6.220 6.837 1156 HD1 PHE 64 HD1 PHE 64 -1.663 -4.441 3.608 1157 HD2 PHE 64 HD2 PHE 64 -2.717 -4.276 7.729 1158 HE1 PHE 64 HE1 PHE 64 -2.930 -2.377 3.195 1159 HE2 PHE 64 HE2 PHE 64 -3.982 -2.205 7.320 1160 HZ PHE 64 HZ PHE 64 -4.093 -1.256 5.051 1161 H GLN 65 H GLN 65 0.010 -7.038 8.125 1162 HA GLN 65 HA GLN 65 0.067 -5.254 10.232 1163 HB2 GLN 65 2HB GLN 65 -0.433 -7.656 10.438 1164 HB3 GLN 65 3HB GLN 65 1.257 -8.036 10.137 1165 HG2 GLN 65 2HG GLN 65 0.886 -8.213 12.469 1166 HG3 GLN 65 3HG GLN 65 1.830 -6.749 12.200 1167 HE21 GLN 65 1HE2 GLN 65 1.188 -5.831 14.131 1168 HE22 GLN 65 2HE2 GLN 65 -0.409 -5.223 14.378 1169 H THR 66 H THR 66 2.762 -6.674 8.463 1170 HA THR 66 HA THR 66 4.854 -5.851 10.131 1171 HB THR 66 HB THR 66 4.916 -6.224 7.129 1172 HG1 THR 66 HG1 THR 66 4.160 -8.079 8.327 1173 HG21 THR 66 3HG2 THR 66 7.300 -6.713 7.460 1174 HG22 THR 66 1HG2 THR 66 7.138 -6.326 9.172 1175 HG23 THR 66 2HG2 THR 66 6.901 -5.069 7.958 1176 H MET 67 H MET 67 3.424 -4.242 7.272 1177 HA MET 67 HA MET 67 5.249 -2.051 7.457 1178 HB2 MET 67 2HB MET 67 4.088 -1.072 5.622 1179 HB3 MET 67 3HB MET 67 4.184 -2.798 5.326 1180 HG2 MET 67 2HG MET 67 2.038 -2.342 4.689 1181 HG3 MET 67 3HG MET 67 1.801 -2.830 6.366 1182 HE1 MET 67 3HE MET 67 -0.861 0.020 5.702 1183 HE2 MET 67 1HE MET 67 -0.633 -1.684 6.093 1184 HE3 MET 67 2HE MET 67 -0.241 -1.090 4.479 1185 H VAL 68 H VAL 68 2.056 -2.690 8.743 1186 HA VAL 68 HA VAL 68 1.360 -0.057 9.470 1187 HB VAL 68 HB VAL 68 0.585 -2.688 10.742 1188 HG11 VAL 68 1HG1 VAL 68 -0.564 0.065 11.207 1189 HG12 VAL 68 2HG1 VAL 68 0.324 -0.911 12.380 1190 HG13 VAL 68 3HG1 VAL 68 -1.253 -1.445 11.799 1191 HG21 VAL 68 3HG2 VAL 68 -0.172 -2.479 8.467 1192 HG22 VAL 68 1HG2 VAL 68 -0.802 -0.861 8.786 1193 HG23 VAL 68 2HG2 VAL 68 -1.546 -2.260 9.550 1194 H ASP 69 H ASP 69 3.127 -2.588 11.245 1195 HA ASP 69 HA ASP 69 3.530 -1.155 13.624 1196 HB2 ASP 69 2HB ASP 69 4.017 -3.517 13.578 1197 HB3 ASP 69 3HB ASP 69 5.234 -3.295 12.323 1198 H ALA 70 H ALA 70 5.519 -1.397 10.713 1199 HA ALA 70 HA ALA 70 7.675 0.153 11.593 1200 HB1 ALA 70 3HB ALA 70 8.264 0.371 9.242 1201 HB2 ALA 70 1HB ALA 70 6.657 -0.187 8.780 1202 HB3 ALA 70 2HB ALA 70 7.759 -1.278 9.615 1203 H PHE 71 H PHE 71 4.768 1.115 9.770 1204 HA PHE 71 HA PHE 71 5.580 3.871 9.726 1205 HB2 PHE 71 2HB PHE 71 2.972 2.554 8.956 1206 HB3 PHE 71 3HB PHE 71 3.323 4.263 8.728 1207 HD1 PHE 71 HD1 PHE 71 6.157 4.101 7.830 1208 HD2 PHE 71 HD2 PHE 71 2.757 1.769 6.780 1209 HE1 PHE 71 HE1 PHE 71 7.173 3.607 5.649 1210 HE2 PHE 71 HE2 PHE 71 3.771 1.272 4.595 1211 HZ PHE 71 HZ PHE 71 5.981 2.193 4.028 1212 H LYS 72 H LYS 72 4.111 1.897 12.027 1213 HA LYS 72 HA LYS 72 2.755 4.046 13.403 1214 HB2 LYS 72 2HB LYS 72 1.956 1.742 13.633 1215 HB3 LYS 72 3HB LYS 72 3.498 1.258 14.319 1216 HG2 LYS 72 2HG LYS 72 3.100 2.553 16.291 1217 HG3 LYS 72 3HG LYS 72 1.650 3.270 15.581 1218 HD2 LYS 72 2HD LYS 72 0.613 1.043 15.489 1219 HD3 LYS 72 3HD LYS 72 2.053 0.351 16.238 1220 HE2 LYS 72 2HE LYS 72 1.683 1.687 18.231 1221 HE3 LYS 72 3HE LYS 72 0.286 2.455 17.479 1222 HZ1 LYS 72 3HZ LYS 72 -0.874 0.385 17.469 1223 HZ2 LYS 72 1HZ LYS 72 -0.270 0.625 19.035 1224 HZ3 LYS 72 2HZ LYS 72 0.497 -0.468 17.989 1225 H GLY 73 H GLY 73 5.889 2.727 13.153 1226 HA2 GLY 73 2HA GLY 73 6.859 3.842 15.642 1227 HA3 GLY 73 3HA GLY 73 7.817 3.023 14.421 1228 H ASN 74 H ASN 74 6.583 4.928 12.351 1229 HA ASN 74 HA ASN 74 7.649 7.499 13.084 1230 HB2 ASN 74 2HB ASN 74 9.434 7.587 11.413 1231 HB3 ASN 74 3HB ASN 74 9.741 6.316 12.589 1232 HD21 ASN 74 1HD2 ASN 74 9.656 4.174 11.940 1233 HD22 ASN 74 2HD2 ASN 74 9.646 3.710 10.276 1234 H LEU 75 H LEU 75 8.089 8.594 10.618 1235 HA LEU 75 HA LEU 75 7.180 9.417 8.734 1236 HB2 LEU 75 2HB LEU 75 6.551 6.799 8.515 1237 HB3 LEU 75 3HB LEU 75 4.947 7.505 8.523 1238 HG LEU 75 HG LEU 75 7.005 8.634 6.669 1239 HD11 LEU 75 1HD1 LEU 75 7.150 6.212 6.393 1240 HD12 LEU 75 2HD1 LEU 75 6.420 6.984 4.983 1241 HD13 LEU 75 3HD1 LEU 75 5.406 6.138 6.153 1242 HD21 LEU 75 3HD2 LEU 75 4.036 8.176 6.364 1243 HD22 LEU 75 1HD2 LEU 75 5.086 9.075 5.271 1244 HD23 LEU 75 2HD2 LEU 75 4.773 9.690 6.894 1245 H GLU 76 H GLU 76 5.670 9.337 11.659 1246 HA GLU 76 HA GLU 76 3.382 10.860 10.760 1247 HB2 GLU 76 2HB GLU 76 3.029 11.277 13.247 1248 HB3 GLU 76 3HB GLU 76 2.841 9.635 12.658 1249 HG2 GLU 76 2HG GLU 76 5.080 9.095 13.492 1250 HG3 GLU 76 3HG GLU 76 5.233 10.743 14.109 1251 H HIS 77 H HIS 77 4.970 12.141 9.571 1252 HA HIS 77 HA HIS 77 5.383 14.661 11.019 1253 HB2 HIS 77 2HB HIS 77 7.356 13.247 9.220 1254 HB3 HIS 77 3HB HIS 77 7.380 14.997 9.386 1255 HD1 HIS 77 HD1 HIS 77 8.879 12.063 10.761 1256 HD2 HIS 77 HD2 HIS 77 7.652 15.736 12.283 1257 HE1 HIS 77 HE1 HIS 77 10.155 12.369 12.905 1258 HE2 HIS 77 HE2 HIS 77 9.543 14.678 13.701 1259 H HIS 78 H HIS 78 4.567 16.399 9.863 1260 HA HIS 78 HA HIS 78 3.503 15.640 7.226 1261 HB2 HIS 78 2HB HIS 78 1.949 16.093 9.369 1262 HB3 HIS 78 3HB HIS 78 2.055 17.733 8.735 1263 HD1 HIS 78 HD1 HIS 78 -0.604 16.179 8.711 1264 HD2 HIS 78 HD2 HIS 78 2.070 16.309 5.531 1265 HE1 HIS 78 HE1 HIS 78 -1.963 15.663 6.657 1266 HE2 HIS 78 HE2 HIS 78 -0.373 16.033 4.734 1267 H HIS 79 H HIS 79 3.403 18.837 8.776 1268 HA HIS 79 HA HIS 79 3.917 20.892 7.955 1269 HB2 HIS 79 2HB HIS 79 6.226 19.369 6.733 1270 HB3 HIS 79 3HB HIS 79 6.076 21.121 6.686 1271 HD1 HIS 79 HD1 HIS 79 6.942 22.385 8.669 1272 HD2 HIS 79 HD2 HIS 79 6.555 18.313 9.420 1273 HE1 HIS 79 HE1 HIS 79 8.014 22.005 10.910 1274 HE2 HIS 79 HE2 HIS 79 7.983 19.505 11.220 1275 H HIS 80 H HIS 80 2.408 21.640 6.620 1276 HA HIS 80 HA HIS 80 1.618 20.297 4.247 1277 HB2 HIS 80 2HB HIS 80 0.094 21.677 5.649 1278 HB3 HIS 80 3HB HIS 80 0.943 23.119 5.107 1279 HD1 HIS 80 HD1 HIS 80 -0.026 24.238 3.120 1280 HD2 HIS 80 HD2 HIS 80 -1.136 20.236 3.357 1281 HE1 HIS 80 HE1 HIS 80 -1.678 23.877 1.250 1282 HE2 HIS 80 HE2 HIS 80 -2.486 21.504 1.545 1283 H HIS 81 H HIS 81 3.992 22.685 4.877 1284 HA HIS 81 HA HIS 81 5.500 23.784 3.604 1285 HB2 HIS 81 2HB HIS 81 4.534 22.063 1.318 1286 HB3 HIS 81 3HB HIS 81 6.016 23.001 1.350 1287 HD1 HIS 81 HD1 HIS 81 4.940 19.689 1.605 1288 HD2 HIS 81 HD2 HIS 81 7.684 21.970 3.743 1289 HE1 HIS 81 HE1 HIS 81 6.473 18.035 2.722 1290 HE2 HIS 81 HE2 HIS 81 8.254 19.447 3.800 1291 H HIS 82 H HIS 82 3.349 23.270 0.874 1292 HA HIS 82 HA HIS 82 2.204 25.919 1.110 1293 HB2 HIS 82 2HB HIS 82 4.223 25.168 -0.951 1294 HB3 HIS 82 3HB HIS 82 2.849 26.135 -1.471 1295 HD1 HIS 82 HD1 HIS 82 2.722 28.560 -0.682 1296 HD2 HIS 82 HD2 HIS 82 6.029 26.496 0.777 1297 HE1 HIS 82 HE1 HIS 82 4.234 30.308 0.308 1298 HE2 HIS 82 HE2 HIS 82 6.170 29.034 1.286 Start of MODEL 4 1 H1 MET 1 1H MET 1 9.171 20.770 -22.162 2 H2 MET 1 2H MET 1 7.538 21.186 -22.345 3 H3 MET 1 3H MET 1 8.326 20.292 -23.550 4 HA MET 1 HA MET 1 7.901 19.351 -20.784 5 HB2 MET 1 2HB MET 1 6.204 19.157 -23.216 6 HB3 MET 1 3HB MET 1 6.342 17.717 -22.217 7 HG2 MET 1 2HG MET 1 5.469 20.424 -21.234 8 HG3 MET 1 3HG MET 1 4.391 19.091 -21.649 9 HE1 MET 1 3HE MET 1 4.169 19.171 -17.734 10 HE2 MET 1 1HE MET 1 3.264 19.228 -19.246 11 HE3 MET 1 2HE MET 1 4.331 20.561 -18.807 12 H LYS 2 H LYS 2 8.437 18.313 -24.149 13 HA LYS 2 HA LYS 2 9.579 16.591 -25.057 14 HB2 LYS 2 2HB LYS 2 11.323 16.908 -22.607 15 HB3 LYS 2 3HB LYS 2 11.727 15.921 -24.005 16 HG2 LYS 2 2HG LYS 2 11.543 18.025 -25.389 17 HG3 LYS 2 3HG LYS 2 11.470 18.909 -23.863 18 HD2 LYS 2 2HD LYS 2 13.700 17.079 -24.742 19 HD3 LYS 2 3HD LYS 2 13.747 18.844 -24.748 20 HE2 LYS 2 2HE LYS 2 13.537 18.901 -22.348 21 HE3 LYS 2 3HE LYS 2 13.318 17.152 -22.292 22 HZ1 LYS 2 3HZ LYS 2 15.769 18.505 -23.283 23 HZ2 LYS 2 1HZ LYS 2 15.545 16.840 -23.061 24 HZ3 LYS 2 2HZ LYS 2 15.589 17.874 -21.722 25 H LYS 3 H LYS 3 7.362 15.704 -24.093 26 HA LYS 3 HA LYS 3 7.649 13.622 -22.144 27 HB2 LYS 3 2HB LYS 3 5.448 14.283 -24.103 28 HB3 LYS 3 3HB LYS 3 5.353 12.950 -22.960 29 HG2 LYS 3 2HG LYS 3 5.400 14.433 -21.104 30 HG3 LYS 3 3HG LYS 3 5.790 15.810 -22.136 31 HD2 LYS 3 2HD LYS 3 3.622 15.693 -23.188 32 HD3 LYS 3 3HD LYS 3 3.238 14.215 -22.306 33 HE2 LYS 3 2HE LYS 3 3.851 16.832 -20.957 34 HE3 LYS 3 3HE LYS 3 2.218 16.329 -21.390 35 HZ1 LYS 3 3HZ LYS 3 3.983 14.649 -19.716 36 HZ2 LYS 3 1HZ LYS 3 2.304 14.540 -19.906 37 HZ3 LYS 3 2HZ LYS 3 2.984 15.837 -19.044 38 H MET 4 H MET 4 9.462 12.551 -23.044 39 HA MET 4 HA MET 4 9.125 11.088 -25.529 40 HB2 MET 4 2HB MET 4 11.300 12.094 -24.977 41 HB3 MET 4 3HB MET 4 11.380 11.135 -23.507 42 HG2 MET 4 2HG MET 4 12.803 10.180 -25.186 43 HG3 MET 4 3HG MET 4 11.455 9.094 -24.859 44 HE1 MET 4 3HE MET 4 12.156 8.489 -28.664 45 HE2 MET 4 1HE MET 4 12.011 7.744 -27.071 46 HE3 MET 4 2HE MET 4 13.353 8.834 -27.416 47 H ALA 5 H ALA 5 9.032 8.820 -25.679 48 HA ALA 5 HA ALA 5 7.590 7.437 -23.720 49 HB1 ALA 5 3HB ALA 5 7.634 6.750 -26.058 50 HB2 ALA 5 1HB ALA 5 8.099 5.417 -25.000 51 HB3 ALA 5 2HB ALA 5 9.332 6.298 -25.903 52 H GLU 6 H GLU 6 10.983 7.981 -24.054 53 HA GLU 6 HA GLU 6 11.805 5.937 -22.224 54 HB2 GLU 6 2HB GLU 6 13.268 6.936 -24.014 55 HB3 GLU 6 3HB GLU 6 13.322 8.414 -23.070 56 HG2 GLU 6 2HG GLU 6 14.205 5.794 -21.915 57 HG3 GLU 6 3HG GLU 6 15.284 6.776 -22.901 58 H PHE 7 H PHE 7 10.814 6.106 -20.309 59 HA PHE 7 HA PHE 7 11.155 8.617 -18.820 60 HB2 PHE 7 2HB PHE 7 9.127 6.403 -18.512 61 HB3 PHE 7 3HB PHE 7 9.382 7.630 -17.280 62 HD1 PHE 7 HD1 PHE 7 9.207 10.105 -18.109 63 HD2 PHE 7 HD2 PHE 7 7.556 6.753 -20.147 64 HE1 PHE 7 HE1 PHE 7 7.619 11.592 -19.257 65 HE2 PHE 7 HE2 PHE 7 5.969 8.234 -21.306 66 HZ PHE 7 HZ PHE 7 5.996 10.655 -20.860 67 H THR 8 H THR 8 12.987 8.483 -17.728 68 HA THR 8 HA THR 8 14.082 6.043 -16.748 69 HB THR 8 HB THR 8 14.830 8.848 -15.908 70 HG1 THR 8 HG1 THR 8 15.001 7.685 -18.348 71 HG21 THR 8 3HG2 THR 8 17.050 7.853 -15.539 72 HG22 THR 8 1HG2 THR 8 16.407 6.272 -15.983 73 HG23 THR 8 2HG2 THR 8 15.820 7.088 -14.535 74 H PHE 9 H PHE 9 13.419 4.969 -15.002 75 HA PHE 9 HA PHE 9 12.306 6.526 -12.767 76 HB2 PHE 9 2HB PHE 9 11.108 4.513 -12.063 77 HB3 PHE 9 3HB PHE 9 10.677 4.946 -13.710 78 HD1 PHE 9 HD1 PHE 9 11.614 3.612 -15.607 79 HD2 PHE 9 HD2 PHE 9 12.056 2.415 -11.544 80 HE1 PHE 9 HE1 PHE 9 12.136 1.322 -16.337 81 HE2 PHE 9 HE2 PHE 9 12.581 0.125 -12.271 82 HZ PHE 9 HZ PHE 9 12.621 -0.422 -14.673 83 H GLU 10 H GLU 10 13.314 6.476 -10.865 84 HA GLU 10 HA GLU 10 15.560 4.590 -10.575 85 HB2 GLU 10 2HB GLU 10 15.412 7.518 -9.883 86 HB3 GLU 10 3HB GLU 10 16.630 6.454 -9.199 87 HG2 GLU 10 2HG GLU 10 16.226 6.908 -12.140 88 HG3 GLU 10 3HG GLU 10 17.409 7.758 -11.144 89 H ILE 11 H ILE 11 15.294 3.258 -8.919 90 HA ILE 11 HA ILE 11 13.512 3.890 -6.741 91 HB ILE 11 HB ILE 11 15.417 1.561 -7.081 92 HG12 ILE 11 2HG1 ILE 11 12.425 1.743 -7.503 93 HG13 ILE 11 3HG1 ILE 11 13.630 1.654 -8.783 94 HG21 ILE 11 1HG2 ILE 11 14.129 0.499 -5.282 95 HG22 ILE 11 2HG2 ILE 11 13.184 1.973 -5.090 96 HG23 ILE 11 3HG2 ILE 11 14.911 1.980 -4.731 97 HD11 ILE 11 3HD1 ILE 11 13.073 -0.473 -6.729 98 HD12 ILE 11 1HD1 ILE 11 14.282 -0.567 -8.009 99 HD13 ILE 11 2HD1 ILE 11 12.568 -0.495 -8.419 100 H GLU 12 H GLU 12 14.193 5.432 -5.381 101 HA GLU 12 HA GLU 12 16.978 5.974 -4.943 102 HB2 GLU 12 2HB GLU 12 14.574 7.035 -3.450 103 HB3 GLU 12 3HB GLU 12 16.199 7.694 -3.392 104 HG2 GLU 12 2HG GLU 12 15.987 8.139 -5.857 105 HG3 GLU 12 3HG GLU 12 14.278 7.726 -5.694 106 H GLU 13 H GLU 13 14.359 5.149 -2.702 107 HA GLU 13 HA GLU 13 16.318 3.812 -0.981 108 HB2 GLU 13 2HB GLU 13 16.025 6.126 -0.184 109 HB3 GLU 13 3HB GLU 13 14.288 5.872 -0.081 110 HG2 GLU 13 2HG GLU 13 15.209 5.706 2.107 111 HG3 GLU 13 3HG GLU 13 14.704 4.096 1.598 112 H HIS 14 H HIS 14 15.576 2.055 0.076 113 HA HIS 14 HA HIS 14 12.814 1.223 -0.419 114 HB2 HIS 14 2HB HIS 14 15.076 -0.301 0.914 115 HB3 HIS 14 3HB HIS 14 13.505 -0.955 0.473 116 HD1 HIS 14 HD1 HIS 14 13.135 -1.624 -1.981 117 HD2 HIS 14 HD2 HIS 14 16.880 0.028 -1.216 118 HE1 HIS 14 HE1 HIS 14 14.525 -2.101 -4.022 119 HE2 HIS 14 HE2 HIS 14 16.847 -1.339 -3.410 120 H LEU 15 H LEU 15 11.335 1.796 1.070 121 HA LEU 15 HA LEU 15 12.042 2.892 3.585 122 HB2 LEU 15 2HB LEU 15 9.382 1.860 2.593 123 HB3 LEU 15 3HB LEU 15 9.606 2.768 4.076 124 HG LEU 15 HG LEU 15 10.194 3.816 1.305 125 HD11 LEU 15 1HD1 LEU 15 7.889 4.379 3.165 126 HD12 LEU 15 2HD1 LEU 15 7.809 3.486 1.646 127 HD13 LEU 15 3HD1 LEU 15 8.207 5.203 1.639 128 HD21 LEU 15 3HD2 LEU 15 10.406 5.978 2.426 129 HD22 LEU 15 1HD2 LEU 15 11.598 4.827 3.024 130 HD23 LEU 15 2HD2 LEU 15 10.166 5.195 3.987 131 H LEU 16 H LEU 16 10.301 -0.105 2.801 132 HA LEU 16 HA LEU 16 11.987 -1.635 4.522 133 HB2 LEU 16 2HB LEU 16 10.300 -2.466 6.048 134 HB3 LEU 16 3HB LEU 16 10.455 -0.729 6.214 135 HG LEU 16 HG LEU 16 8.326 -1.662 4.380 136 HD11 LEU 16 1HD1 LEU 16 8.184 -3.292 6.214 137 HD12 LEU 16 2HD1 LEU 16 6.802 -2.194 6.189 138 HD13 LEU 16 3HD1 LEU 16 8.090 -1.965 7.372 139 HD21 LEU 16 3HD2 LEU 16 8.405 0.378 6.602 140 HD22 LEU 16 1HD2 LEU 16 7.115 0.172 5.418 141 HD23 LEU 16 2HD2 LEU 16 8.712 0.711 4.898 142 H THR 17 H THR 17 12.107 -3.661 3.795 143 HA THR 17 HA THR 17 10.469 -4.489 1.579 144 HB THR 17 HB THR 17 12.399 -6.201 3.156 145 HG1 THR 17 HG1 THR 17 13.864 -4.847 2.443 146 HG21 THR 17 3HG2 THR 17 10.944 -7.397 1.583 147 HG22 THR 17 1HG2 THR 17 12.625 -7.421 1.048 148 HG23 THR 17 2HG2 THR 17 11.472 -6.329 0.283 149 H LEU 18 H LEU 18 8.401 -4.986 2.037 150 HA LEU 18 HA LEU 18 7.394 -5.703 4.528 151 HB2 LEU 18 2HB LEU 18 6.241 -6.240 1.793 152 HB3 LEU 18 3HB LEU 18 5.360 -6.422 3.296 153 HG LEU 18 HG LEU 18 6.455 -3.839 2.183 154 HD11 LEU 18 1HD1 LEU 18 4.493 -4.711 1.007 155 HD12 LEU 18 2HD1 LEU 18 4.109 -3.253 1.921 156 HD13 LEU 18 3HD1 LEU 18 3.635 -4.833 2.543 157 HD21 LEU 18 3HD2 LEU 18 5.311 -2.779 4.062 158 HD22 LEU 18 1HD2 LEU 18 6.553 -3.895 4.629 159 HD23 LEU 18 2HD2 LEU 18 4.855 -4.364 4.686 160 H SER 19 H SER 19 7.808 -7.838 1.697 161 HA SER 19 HA SER 19 8.801 -10.000 3.228 162 HB2 SER 19 2HB SER 19 6.426 -10.028 4.009 163 HB3 SER 19 3HB SER 19 5.913 -10.277 2.344 164 HG SER 19 HG SER 19 7.150 -12.040 4.127 165 H GLU 20 H GLU 20 8.380 -12.125 1.807 166 HA GLU 20 HA GLU 20 8.581 -11.463 -1.039 167 HB2 GLU 20 2HB GLU 20 10.879 -11.673 -0.120 168 HB3 GLU 20 3HB GLU 20 10.482 -13.282 0.465 169 HG2 GLU 20 2HG GLU 20 9.897 -13.111 -2.326 170 HG3 GLU 20 3HG GLU 20 11.542 -12.552 -2.026 171 H ASN 21 H ASN 21 7.140 -12.674 -2.115 172 HA ASN 21 HA ASN 21 6.044 -15.016 -0.688 173 HB2 ASN 21 2HB ASN 21 4.636 -13.072 -2.526 174 HB3 ASN 21 3HB ASN 21 3.906 -14.536 -1.884 175 HD21 ASN 21 1HD2 ASN 21 5.259 -14.192 0.732 176 HD22 ASN 21 2HD2 ASN 21 4.378 -12.933 1.524 177 H GLU 22 H GLU 22 5.342 -16.792 -1.868 178 HA GLU 22 HA GLU 22 5.280 -18.355 -3.500 179 HB2 GLU 22 2HB GLU 22 5.322 -15.921 -5.287 180 HB3 GLU 22 3HB GLU 22 4.972 -17.555 -5.834 181 HG2 GLU 22 2HG GLU 22 3.034 -17.645 -4.366 182 HG3 GLU 22 3HG GLU 22 3.384 -16.015 -3.796 183 H LYS 23 H LYS 23 7.881 -17.225 -2.530 184 HA LYS 23 HA LYS 23 10.090 -17.549 -2.810 185 HB2 LYS 23 2HB LYS 23 9.325 -19.897 -3.198 186 HB3 LYS 23 3HB LYS 23 9.320 -19.562 -4.924 187 HG2 LYS 23 2HG LYS 23 11.701 -19.166 -4.892 188 HG3 LYS 23 3HG LYS 23 11.736 -19.378 -3.140 189 HD2 LYS 23 2HD LYS 23 10.898 -21.694 -3.459 190 HD3 LYS 23 3HD LYS 23 11.032 -21.460 -5.205 191 HE2 LYS 23 2HE LYS 23 13.420 -21.088 -4.990 192 HE3 LYS 23 3HE LYS 23 13.308 -21.240 -3.235 193 HZ1 LYS 23 3HZ LYS 23 14.070 -23.300 -4.140 194 HZ2 LYS 23 1HZ LYS 23 12.786 -23.362 -5.242 195 HZ3 LYS 23 2HZ LYS 23 12.482 -23.528 -3.586 196 H GLY 24 H GLY 24 10.388 -15.455 -3.579 197 HA2 GLY 24 2HA GLY 24 12.029 -14.655 -5.270 198 HA3 GLY 24 3HA GLY 24 10.964 -15.350 -6.482 199 H TRP 25 H TRP 25 8.484 -14.453 -5.437 200 HA TRP 25 HA TRP 25 8.541 -11.846 -6.615 201 HB2 TRP 25 2HB TRP 25 6.338 -13.503 -5.392 202 HB3 TRP 25 3HB TRP 25 6.062 -11.870 -5.998 203 HD1 TRP 25 HD1 TRP 25 7.247 -15.322 -7.296 204 HE1 TRP 25 HE1 TRP 25 6.661 -15.474 -9.795 205 HE3 TRP 25 HE3 TRP 25 5.426 -10.595 -7.993 206 HZ2 TRP 25 HZ2 TRP 25 5.561 -13.820 -11.792 207 HZ3 TRP 25 HZ3 TRP 25 4.625 -9.964 -10.231 208 HH2 TRP 25 HH2 TRP 25 4.692 -11.543 -12.092 209 H THR 26 H THR 26 9.480 -10.297 -5.474 210 HA THR 26 HA THR 26 9.250 -10.287 -2.582 211 HB THR 26 HB THR 26 10.761 -8.330 -4.310 212 HG1 THR 26 HG1 THR 26 11.181 -10.830 -4.408 213 HG21 THR 26 3HG2 THR 26 11.132 -9.255 -1.459 214 HG22 THR 26 1HG2 THR 26 10.487 -7.694 -1.963 215 HG23 THR 26 2HG2 THR 26 12.168 -8.105 -2.306 216 H LYS 27 H LYS 27 8.209 -8.760 -1.390 217 HA LYS 27 HA LYS 27 6.582 -6.791 -2.865 218 HB2 LYS 27 2HB LYS 27 5.294 -8.776 -2.023 219 HB3 LYS 27 3HB LYS 27 5.775 -8.337 -0.391 220 HG2 LYS 27 2HG LYS 27 4.613 -6.181 -0.662 221 HG3 LYS 27 3HG LYS 27 4.077 -6.704 -2.260 222 HD2 LYS 27 2HD LYS 27 3.413 -7.998 0.383 223 HD3 LYS 27 3HD LYS 27 2.313 -7.086 -0.650 224 HE2 LYS 27 2HE LYS 27 2.556 -8.771 -2.401 225 HE3 LYS 27 3HE LYS 27 3.672 -9.679 -1.380 226 HZ1 LYS 27 3HZ LYS 27 1.588 -10.692 -1.127 227 HZ2 LYS 27 1HZ LYS 27 0.776 -9.214 -0.953 228 HZ3 LYS 27 2HZ LYS 27 1.798 -9.774 0.283 229 H GLU 28 H GLU 28 6.982 -4.741 -2.219 230 HA GLU 28 HA GLU 28 7.815 -4.229 0.524 231 HB2 GLU 28 2HB GLU 28 9.859 -3.064 -0.167 232 HB3 GLU 28 3HB GLU 28 9.914 -4.774 -0.584 233 HG2 GLU 28 2HG GLU 28 9.457 -4.303 -2.875 234 HG3 GLU 28 3HG GLU 28 9.144 -2.605 -2.522 235 H ILE 29 H ILE 29 8.435 -1.807 0.693 236 HA ILE 29 HA ILE 29 6.798 -0.131 -1.090 237 HB ILE 29 HB ILE 29 7.092 0.303 1.896 238 HG12 ILE 29 2HG1 ILE 29 4.671 -0.663 0.357 239 HG13 ILE 29 3HG1 ILE 29 5.689 -1.681 1.369 240 HG21 ILE 29 1HG2 ILE 29 5.380 2.023 1.572 241 HG22 ILE 29 2HG2 ILE 29 5.367 1.686 -0.159 242 HG23 ILE 29 3HG2 ILE 29 6.813 2.352 0.598 243 HD11 ILE 29 3HD1 ILE 29 4.030 0.654 2.298 244 HD12 ILE 29 1HD1 ILE 29 5.060 -0.349 3.321 245 HD13 ILE 29 2HD1 ILE 29 3.655 -1.055 2.520 246 H ASN 30 H ASN 30 8.085 1.363 -2.050 247 HA ASN 30 HA ASN 30 10.402 2.370 -0.580 248 HB2 ASN 30 2HB ASN 30 11.976 1.854 -2.347 249 HB3 ASN 30 3HB ASN 30 11.185 0.369 -1.829 250 HD21 ASN 30 1HD2 ASN 30 9.775 -0.669 -3.217 251 HD22 ASN 30 2HD2 ASN 30 9.676 -0.280 -4.897 252 H ARG 31 H ARG 31 11.646 3.918 -2.243 253 HA ARG 31 HA ARG 31 9.590 5.757 -3.269 254 HB2 ARG 31 2HB ARG 31 12.372 6.189 -2.206 255 HB3 ARG 31 3HB ARG 31 11.557 7.417 -3.162 256 HG2 ARG 31 2HG ARG 31 9.791 7.576 -1.520 257 HG3 ARG 31 3HG ARG 31 10.518 6.265 -0.583 258 HD2 ARG 31 2HD ARG 31 11.005 8.599 0.242 259 HD3 ARG 31 3HD ARG 31 12.410 7.573 -0.034 260 HE ARG 31 HE ARG 31 12.531 8.799 -2.270 261 HH11 ARG 31 1HH1 ARG 31 11.267 10.285 0.646 262 HH12 ARG 31 2HH1 ARG 31 11.760 11.881 0.187 263 HH21 ARG 31 1HH2 ARG 31 13.193 10.879 -2.861 264 HH22 ARG 31 2HH2 ARG 31 12.850 12.230 -1.803 265 H VAL 32 H VAL 32 9.369 5.810 -5.401 266 HA VAL 32 HA VAL 32 11.752 5.317 -7.070 267 HB VAL 32 HB VAL 32 8.857 4.991 -7.899 268 HG11 VAL 32 1HG1 VAL 32 11.414 4.201 -9.292 269 HG12 VAL 32 2HG1 VAL 32 10.363 5.545 -9.738 270 HG13 VAL 32 3HG1 VAL 32 9.778 3.885 -9.872 271 HG21 VAL 32 3HG2 VAL 32 9.277 2.580 -7.840 272 HG22 VAL 32 1HG2 VAL 32 9.440 3.310 -6.245 273 HG23 VAL 32 2HG2 VAL 32 10.881 2.878 -7.166 274 H SER 33 H SER 33 12.535 7.058 -8.055 275 HA SER 33 HA SER 33 10.847 9.409 -8.379 276 HB2 SER 33 2HB SER 33 13.046 10.449 -9.157 277 HB3 SER 33 3HB SER 33 12.990 9.921 -7.474 278 HG SER 33 HG SER 33 14.892 9.191 -8.373 279 H PHE 34 H PHE 34 10.451 10.383 -10.373 280 HA PHE 34 HA PHE 34 10.914 8.634 -12.693 281 HB2 PHE 34 2HB PHE 34 8.419 10.235 -12.077 282 HB3 PHE 34 3HB PHE 34 8.697 9.309 -13.548 283 HD1 PHE 34 HD1 PHE 34 8.952 6.816 -13.376 284 HD2 PHE 34 HD2 PHE 34 7.574 9.223 -10.150 285 HE1 PHE 34 HE1 PHE 34 7.983 4.821 -12.307 286 HE2 PHE 34 HE2 PHE 34 6.603 7.237 -9.073 287 HZ PHE 34 HZ PHE 34 6.809 5.033 -10.151 288 H ASN 35 H ASN 35 12.089 9.563 -14.175 289 HA ASN 35 HA ASN 35 13.161 11.086 -15.456 290 HB2 ASN 35 2HB ASN 35 11.748 12.618 -16.713 291 HB3 ASN 35 3HB ASN 35 10.986 11.041 -16.569 292 HD21 ASN 35 1HD2 ASN 35 9.062 10.858 -15.492 293 HD22 ASN 35 2HD2 ASN 35 8.152 12.211 -14.909 294 H GLY 36 H GLY 36 13.345 11.670 -12.630 295 HA2 GLY 36 2HA GLY 36 14.730 14.046 -12.674 296 HA3 GLY 36 3HA GLY 36 13.087 14.486 -12.239 297 H ALA 37 H ALA 37 13.882 15.216 -10.218 298 HA ALA 37 HA ALA 37 15.088 13.295 -8.434 299 HB1 ALA 37 3HB ALA 37 15.853 15.610 -8.404 300 HB2 ALA 37 1HB ALA 37 15.227 15.114 -6.830 301 HB3 ALA 37 2HB ALA 37 14.251 16.135 -7.886 302 HA PRO 38 HA PRO 38 10.826 14.327 -6.040 303 HB2 PRO 38 2HB PRO 38 8.827 14.363 -8.035 304 HB3 PRO 38 3HB PRO 38 9.362 15.725 -7.048 305 HG2 PRO 38 2HG PRO 38 10.157 14.960 -9.812 306 HG3 PRO 38 3HG PRO 38 9.979 16.573 -9.094 307 HD2 PRO 38 2HD PRO 38 12.400 15.525 -9.526 308 HD3 PRO 38 3HD PRO 38 12.064 16.467 -8.059 309 H ALA 39 H ALA 39 10.584 12.379 -5.222 310 HA ALA 39 HA ALA 39 10.017 10.120 -7.004 311 HB1 ALA 39 3HB ALA 39 10.769 8.689 -5.201 312 HB2 ALA 39 1HB ALA 39 10.961 10.087 -4.143 313 HB3 ALA 39 2HB ALA 39 11.991 9.908 -5.563 314 H LYS 40 H LYS 40 8.554 8.444 -6.139 315 HA LYS 40 HA LYS 40 6.373 9.616 -4.532 316 HB2 LYS 40 2HB LYS 40 6.077 9.156 -7.123 317 HB3 LYS 40 3HB LYS 40 5.847 7.501 -6.585 318 HG2 LYS 40 2HG LYS 40 3.710 8.544 -6.824 319 HG3 LYS 40 3HG LYS 40 4.022 8.281 -5.105 320 HD2 LYS 40 2HD LYS 40 4.572 10.582 -4.776 321 HD3 LYS 40 3HD LYS 40 4.565 10.890 -6.515 322 HE2 LYS 40 2HE LYS 40 2.167 10.431 -6.592 323 HE3 LYS 40 3HE LYS 40 2.170 10.097 -4.860 324 HZ1 LYS 40 3HZ LYS 40 2.750 12.352 -4.403 325 HZ2 LYS 40 1HZ LYS 40 1.410 12.362 -5.444 326 HZ3 LYS 40 2HZ LYS 40 2.957 12.705 -6.049 327 H PHE 41 H PHE 41 5.295 8.159 -3.113 328 HA PHE 41 HA PHE 41 6.895 5.942 -2.202 329 HB2 PHE 41 2HB PHE 41 4.126 6.831 -1.348 330 HB3 PHE 41 3HB PHE 41 5.119 5.641 -0.516 331 HD1 PHE 41 HD2 PHE 41 7.176 6.359 0.653 332 HD2 PHE 41 HD1 PHE 41 4.452 9.155 -1.036 333 HE1 PHE 41 HE2 PHE 41 8.177 8.147 2.014 334 HE2 PHE 41 HE1 PHE 41 5.444 10.948 0.324 335 HZ PHE 41 HZ PHE 41 7.311 10.445 1.852 336 H ASP 42 H ASP 42 6.827 3.997 -3.168 337 HA ASP 42 HA ASP 42 4.317 3.274 -4.533 338 HB2 ASP 42 2HB ASP 42 6.178 3.791 -6.093 339 HB3 ASP 42 3HB ASP 42 7.124 2.502 -5.355 340 H ILE 43 H ILE 43 3.335 1.567 -3.783 341 HA ILE 43 HA ILE 43 4.828 -0.420 -2.203 342 HB ILE 43 HB ILE 43 1.828 -0.127 -2.499 343 HG12 ILE 43 2HG1 ILE 43 3.605 0.812 -0.230 344 HG13 ILE 43 3HG1 ILE 43 2.830 1.860 -1.417 345 HG21 ILE 43 1HG2 ILE 43 2.564 -2.370 -1.873 346 HG22 ILE 43 2HG2 ILE 43 1.713 -1.587 -0.543 347 HG23 ILE 43 3HG2 ILE 43 3.472 -1.702 -0.516 348 HD11 ILE 43 3HD1 ILE 43 1.428 0.111 0.588 349 HD12 ILE 43 1HD1 ILE 43 0.637 1.131 -0.615 350 HD13 ILE 43 2HD1 ILE 43 1.604 1.865 0.666 351 H ARG 44 H ARG 44 5.547 -2.093 -3.435 352 HA ARG 44 HA ARG 44 3.816 -3.081 -5.578 353 HB2 ARG 44 2HB ARG 44 5.298 -1.272 -6.471 354 HB3 ARG 44 3HB ARG 44 6.681 -2.272 -6.058 355 HG2 ARG 44 2HG ARG 44 6.104 -3.902 -7.663 356 HG3 ARG 44 3HG ARG 44 4.505 -3.196 -7.909 357 HD2 ARG 44 2HD ARG 44 7.172 -2.029 -8.689 358 HD3 ARG 44 3HD ARG 44 5.871 -2.552 -9.761 359 HE ARG 44 HE ARG 44 5.691 -0.232 -7.928 360 HH11 ARG 44 1HH1 ARG 44 4.981 -1.781 -11.008 361 HH12 ARG 44 2HH1 ARG 44 3.948 -0.496 -11.548 362 HH21 ARG 44 1HH2 ARG 44 4.373 1.452 -8.640 363 HH22 ARG 44 2HH2 ARG 44 3.615 1.357 -10.213 364 H ALA 45 H ALA 45 4.075 -5.171 -6.116 365 HA ALA 45 HA ALA 45 6.239 -6.694 -4.815 366 HB1 ALA 45 3HB ALA 45 3.990 -7.446 -4.193 367 HB2 ALA 45 1HB ALA 45 4.824 -8.677 -5.144 368 HB3 ALA 45 2HB ALA 45 3.588 -7.669 -5.896 369 H TRP 46 H TRP 46 7.865 -7.186 -6.159 370 HA TRP 46 HA TRP 46 7.280 -7.101 -9.037 371 HB2 TRP 46 2HB TRP 46 9.720 -6.453 -9.278 372 HB3 TRP 46 3HB TRP 46 8.657 -5.253 -8.555 373 HD1 TRP 46 HD1 TRP 46 9.075 -4.618 -6.003 374 HE1 TRP 46 HE1 TRP 46 11.089 -4.981 -4.430 375 HE3 TRP 46 HE3 TRP 46 11.582 -8.163 -8.711 376 HZ2 TRP 46 HZ2 TRP 46 13.414 -6.569 -4.358 377 HZ3 TRP 46 HZ3 TRP 46 13.694 -9.050 -7.817 378 HH2 TRP 46 HH2 TRP 46 14.591 -8.268 -5.685 379 H SER 47 H SER 47 8.349 -8.470 -10.439 380 HA SER 47 HA SER 47 8.890 -11.098 -9.427 381 HB2 SER 47 2HB SER 47 7.678 -10.738 -11.548 382 HB3 SER 47 3HB SER 47 9.100 -9.955 -12.232 383 HG SER 47 HG SER 47 9.648 -11.878 -12.831 384 HA PRO 48 HA PRO 48 13.132 -10.824 -8.524 385 HB2 PRO 48 2HB PRO 48 13.500 -13.354 -10.032 386 HB3 PRO 48 3HB PRO 48 13.922 -12.963 -8.363 387 HG2 PRO 48 2HG PRO 48 11.809 -14.494 -8.949 388 HG3 PRO 48 3HG PRO 48 11.793 -13.359 -7.586 389 HD2 PRO 48 2HD PRO 48 10.468 -13.158 -10.242 390 HD3 PRO 48 3HD PRO 48 9.942 -12.537 -8.666 391 H ASP 49 H ASP 49 13.214 -12.546 -11.651 392 HA ASP 49 HA ASP 49 15.080 -10.470 -12.585 393 HB2 ASP 49 2HB ASP 49 16.482 -12.183 -13.599 394 HB3 ASP 49 3HB ASP 49 16.301 -12.496 -11.876 395 H HIS 50 H HIS 50 12.665 -12.880 -13.491 396 HA HIS 50 HA HIS 50 12.714 -12.030 -16.268 397 HB2 HIS 50 2HB HIS 50 10.937 -13.992 -14.799 398 HB3 HIS 50 3HB HIS 50 10.784 -13.625 -16.511 399 HD1 HIS 50 HD1 HIS 50 12.978 -14.244 -17.991 400 HD2 HIS 50 HD2 HIS 50 12.705 -15.972 -14.218 401 HE1 HIS 50 HE1 HIS 50 14.594 -16.166 -18.005 402 HE2 HIS 50 HE2 HIS 50 14.200 -17.348 -15.820 403 H THR 51 H THR 51 11.535 -10.380 -17.037 404 HA THR 51 HA THR 51 9.820 -8.900 -15.331 405 HB THR 51 HB THR 51 9.199 -7.771 -17.608 406 HG1 THR 51 HG1 THR 51 11.308 -8.146 -18.924 407 HG21 THR 51 3HG2 THR 51 10.570 -6.734 -15.889 408 HG22 THR 51 1HG2 THR 51 11.262 -6.435 -17.483 409 HG23 THR 51 2HG2 THR 51 11.975 -7.655 -16.425 410 H LYS 52 H LYS 52 8.016 -9.789 -14.647 411 HA LYS 52 HA LYS 52 6.157 -10.919 -16.633 412 HB2 LYS 52 2HB LYS 52 6.844 -11.907 -13.874 413 HB3 LYS 52 3HB LYS 52 5.346 -12.359 -14.675 414 HG2 LYS 52 2HG LYS 52 6.589 -13.389 -16.482 415 HG3 LYS 52 3HG LYS 52 8.111 -12.874 -15.751 416 HD2 LYS 52 2HD LYS 52 7.541 -15.251 -15.308 417 HD3 LYS 52 3HD LYS 52 7.741 -14.282 -13.846 418 HE2 LYS 52 2HE LYS 52 5.805 -15.799 -13.714 419 HE3 LYS 52 3HE LYS 52 5.345 -14.104 -13.589 420 HZ1 LYS 52 3HZ LYS 52 4.510 -14.116 -15.781 421 HZ2 LYS 52 1HZ LYS 52 3.911 -15.522 -15.052 422 HZ3 LYS 52 2HZ LYS 52 5.210 -15.619 -16.135 423 H MET 53 H MET 53 6.595 -8.275 -15.156 424 HA MET 53 HA MET 53 5.318 -6.556 -14.425 425 HB2 MET 53 2HB MET 53 3.035 -8.431 -15.059 426 HB3 MET 53 3HB MET 53 2.815 -6.772 -14.522 427 HG2 MET 53 2HG MET 53 4.232 -7.641 -17.029 428 HG3 MET 53 3HG MET 53 2.604 -6.975 -16.934 429 HE1 MET 53 3HE MET 53 3.204 -5.121 -18.740 430 HE2 MET 53 1HE MET 53 4.822 -5.812 -18.874 431 HE3 MET 53 2HE MET 53 4.620 -4.077 -18.631 432 H GLY 54 H GLY 54 3.116 -6.418 -12.788 433 HA2 GLY 54 2HA GLY 54 2.950 -8.191 -10.671 434 HA3 GLY 54 3HA GLY 54 4.249 -7.069 -10.281 435 H LYS 55 H LYS 55 2.399 -6.871 -8.531 436 HA LYS 55 HA LYS 55 0.518 -4.799 -9.407 437 HB2 LYS 55 2HB LYS 55 0.495 -6.567 -6.959 438 HB3 LYS 55 3HB LYS 55 -0.657 -5.271 -7.249 439 HG2 LYS 55 2HG LYS 55 -1.297 -6.437 -9.372 440 HG3 LYS 55 3HG LYS 55 -0.294 -7.790 -8.851 441 HD2 LYS 55 2HD LYS 55 -2.630 -8.177 -8.284 442 HD3 LYS 55 3HD LYS 55 -1.651 -8.015 -6.827 443 HE2 LYS 55 2HE LYS 55 -2.389 -5.725 -6.548 444 HE3 LYS 55 3HE LYS 55 -3.296 -5.810 -8.056 445 HZ1 LYS 55 3HZ LYS 55 -4.628 -6.103 -5.973 446 HZ2 LYS 55 1HZ LYS 55 -3.840 -7.583 -5.743 447 HZ3 LYS 55 2HZ LYS 55 -4.808 -7.341 -7.116 448 H GLY 56 H GLY 56 0.752 -2.771 -8.754 449 HA2 GLY 56 2HA GLY 56 2.080 -2.057 -6.320 450 HA3 GLY 56 3HA GLY 56 3.059 -1.730 -7.745 451 H ILE 57 H ILE 57 1.742 0.067 -5.748 452 HA ILE 57 HA ILE 57 0.486 1.838 -7.699 453 HB ILE 57 HB ILE 57 -1.394 0.646 -6.674 454 HG12 ILE 57 2HG1 ILE 57 -1.281 3.471 -5.603 455 HG13 ILE 57 3HG1 ILE 57 -1.553 3.087 -7.301 456 HG21 ILE 57 1HG2 ILE 57 -1.902 0.933 -4.281 457 HG22 ILE 57 2HG2 ILE 57 -0.343 1.725 -4.062 458 HG23 ILE 57 3HG2 ILE 57 -0.408 0.033 -4.551 459 HD11 ILE 57 3HD1 ILE 57 -3.308 2.172 -5.036 460 HD12 ILE 57 1HD1 ILE 57 -3.599 1.959 -6.765 461 HD13 ILE 57 2HD1 ILE 57 -3.620 3.581 -6.054 462 H THR 58 H THR 58 0.682 4.016 -7.231 463 HA THR 58 HA THR 58 2.748 4.636 -5.275 464 HB THR 58 HB THR 58 2.810 6.851 -6.504 465 HG1 THR 58 HG1 THR 58 0.850 6.913 -7.533 466 HG21 THR 58 3HG2 THR 58 4.423 5.057 -6.964 467 HG22 THR 58 1HG2 THR 58 4.026 5.964 -8.421 468 HG23 THR 58 2HG2 THR 58 3.317 4.371 -8.155 469 H LEU 59 H LEU 59 2.504 6.046 -3.630 470 HA LEU 59 HA LEU 59 -0.133 7.326 -3.294 471 HB2 LEU 59 2HB LEU 59 1.673 6.208 -1.145 472 HB3 LEU 59 3HB LEU 59 0.192 7.095 -0.853 473 HG LEU 59 HG LEU 59 0.377 4.414 -2.232 474 HD11 LEU 59 1HD1 LEU 59 -0.612 5.159 0.519 475 HD12 LEU 59 2HD1 LEU 59 0.873 4.279 0.154 476 HD13 LEU 59 3HD1 LEU 59 -0.693 3.554 -0.210 477 HD21 LEU 59 3HD2 LEU 59 -2.060 4.418 -2.094 478 HD22 LEU 59 1HD2 LEU 59 -1.478 5.775 -3.059 479 HD23 LEU 59 2HD2 LEU 59 -2.024 6.041 -1.402 480 H SER 60 H SER 60 -0.154 9.393 -2.346 481 HA SER 60 HA SER 60 2.306 10.905 -2.705 482 HB2 SER 60 2HB SER 60 -0.399 11.910 -1.799 483 HB3 SER 60 3HB SER 60 0.914 12.849 -2.514 484 HG SER 60 HG SER 60 -0.758 10.922 -3.742 485 H ASN 61 H ASN 61 2.842 12.578 -0.938 486 HA ASN 61 HA ASN 61 3.506 11.084 1.363 487 HB2 ASN 61 2HB ASN 61 4.529 13.116 2.235 488 HB3 ASN 61 3HB ASN 61 4.942 12.891 0.545 489 HD21 ASN 61 1HD2 ASN 61 3.233 14.833 2.843 490 HD22 ASN 61 2HD2 ASN 61 2.899 16.158 1.783 491 H GLU 62 H GLU 62 0.955 13.446 0.766 492 HA GLU 62 HA GLU 62 0.163 13.572 3.510 493 HB2 GLU 62 2HB GLU 62 -1.958 14.591 2.604 494 HB3 GLU 62 3HB GLU 62 -0.479 15.429 2.170 495 HG2 GLU 62 2HG GLU 62 -1.656 13.434 0.289 496 HG3 GLU 62 3HG GLU 62 -2.347 15.050 0.404 497 H GLU 63 H GLU 63 -0.913 11.706 0.712 498 HA GLU 63 HA GLU 63 -3.060 10.373 1.971 499 HB2 GLU 63 2HB GLU 63 -1.328 9.273 -0.251 500 HB3 GLU 63 3HB GLU 63 -3.004 8.867 0.096 501 HG2 GLU 63 2HG GLU 63 -3.722 11.069 -0.583 502 HG3 GLU 63 3HG GLU 63 -2.047 11.575 -0.810 503 H PHE 64 H PHE 64 0.359 9.716 1.698 504 HA PHE 64 HA PHE 64 0.408 7.090 2.669 505 HB2 PHE 64 2HB PHE 64 2.227 8.652 1.544 506 HB3 PHE 64 3HB PHE 64 2.661 8.979 3.217 507 HD1 PHE 64 HD1 PHE 64 2.041 6.139 0.889 508 HD2 PHE 64 HD2 PHE 64 4.181 7.593 4.272 509 HE1 PHE 64 HE1 PHE 64 3.397 4.088 0.910 510 HE2 PHE 64 HE2 PHE 64 5.540 5.543 4.295 511 HZ PHE 64 HZ PHE 64 5.148 3.788 2.614 512 H GLN 65 H GLN 65 0.970 10.177 4.388 513 HA GLN 65 HA GLN 65 1.276 8.996 6.939 514 HB2 GLN 65 2HB GLN 65 2.061 11.264 6.434 515 HB3 GLN 65 3HB GLN 65 0.402 11.799 6.209 516 HG2 GLN 65 2HG GLN 65 1.328 12.468 8.380 517 HG3 GLN 65 3HG GLN 65 -0.082 11.424 8.541 518 HE21 GLN 65 1HE2 GLN 65 3.381 11.610 8.847 519 HE22 GLN 65 2HE2 GLN 65 3.567 10.230 9.862 520 H THR 66 H THR 66 -1.510 10.047 5.112 521 HA THR 66 HA THR 66 -3.469 10.085 7.072 522 HB THR 66 HB THR 66 -3.679 9.184 4.193 523 HG1 THR 66 HG1 THR 66 -3.056 11.346 4.382 524 HG21 THR 66 3HG2 THR 66 -6.087 9.649 4.393 525 HG22 THR 66 1HG2 THR 66 -5.881 9.938 6.122 526 HG23 THR 66 2HG2 THR 66 -5.586 8.333 5.455 527 H MET 67 H MET 67 -2.204 7.311 5.217 528 HA MET 67 HA MET 67 -4.005 5.513 6.561 529 HB2 MET 67 2HB MET 67 -2.921 3.724 5.299 530 HB3 MET 67 3HB MET 67 -3.386 5.057 4.256 531 HG2 MET 67 2HG MET 67 -1.314 4.451 3.465 532 HG3 MET 67 3HG MET 67 -0.957 5.830 4.503 533 HE1 MET 67 3HE MET 67 2.189 3.564 4.943 534 HE2 MET 67 1HE MET 67 1.581 5.148 4.467 535 HE3 MET 67 2HE MET 67 1.237 3.734 3.470 536 H VAL 68 H VAL 68 -0.687 6.546 7.051 537 HA VAL 68 HA VAL 68 0.241 4.501 8.709 538 HB VAL 68 HB VAL 68 0.847 7.467 8.956 539 HG11 VAL 68 1HG1 VAL 68 2.354 5.076 10.032 540 HG12 VAL 68 2HG1 VAL 68 1.447 6.243 10.992 541 HG13 VAL 68 3HG1 VAL 68 2.886 6.756 10.111 542 HG21 VAL 68 3HG2 VAL 68 2.857 6.922 7.657 543 HG22 VAL 68 1HG2 VAL 68 1.381 6.575 6.751 544 HG23 VAL 68 2HG2 VAL 68 2.294 5.259 7.490 545 H ASP 69 H ASP 69 -1.415 7.507 9.644 546 HA ASP 69 HA ASP 69 -1.633 6.784 12.393 547 HB2 ASP 69 2HB ASP 69 -1.614 9.131 11.505 548 HB3 ASP 69 3HB ASP 69 -3.242 8.862 10.892 549 H ALA 70 H ALA 70 -3.736 6.445 9.587 550 HA ALA 70 HA ALA 70 -6.098 5.765 10.960 551 HB1 ALA 70 3HB ALA 70 -6.034 6.391 8.588 552 HB2 ALA 70 1HB ALA 70 -6.873 4.862 8.852 553 HB3 ALA 70 2HB ALA 70 -5.226 4.868 8.219 554 H PHE 71 H PHE 71 -3.406 3.774 9.780 555 HA PHE 71 HA PHE 71 -4.602 1.319 10.616 556 HB2 PHE 71 2HB PHE 71 -1.779 2.016 9.826 557 HB3 PHE 71 3HB PHE 71 -2.290 0.385 10.255 558 HD1 PHE 71 HD2 PHE 71 -4.951 0.274 9.042 559 HD2 PHE 71 HD1 PHE 71 -1.319 1.904 7.548 560 HE1 PHE 71 HE2 PHE 71 -5.745 -0.086 6.747 561 HE2 PHE 71 HE1 PHE 71 -2.110 1.552 5.245 562 HZ PHE 71 HZ PHE 71 -4.324 0.553 4.846 563 H LYS 72 H LYS 72 -2.672 3.740 12.144 564 HA LYS 72 HA LYS 72 -1.838 2.375 14.448 565 HB2 LYS 72 2HB LYS 72 -1.096 4.637 13.997 566 HB3 LYS 72 3HB LYS 72 -2.748 5.237 14.064 567 HG2 LYS 72 2HG LYS 72 -2.745 4.407 16.487 568 HG3 LYS 72 3HG LYS 72 -0.990 4.310 16.307 569 HD2 LYS 72 2HD LYS 72 -2.645 6.781 15.802 570 HD3 LYS 72 3HD LYS 72 -1.763 6.447 17.291 571 HE2 LYS 72 2HE LYS 72 0.338 6.474 16.108 572 HE3 LYS 72 3HE LYS 72 -0.495 6.645 14.564 573 HZ1 LYS 72 3HZ LYS 72 -0.772 8.627 16.743 574 HZ2 LYS 72 1HZ LYS 72 -1.199 8.805 15.109 575 HZ3 LYS 72 2HZ LYS 72 0.442 8.743 15.565 576 H GLY 73 H GLY 73 -4.894 3.852 13.563 577 HA2 GLY 73 2HA GLY 73 -6.083 2.988 16.108 578 HA3 GLY 73 3HA GLY 73 -6.788 4.132 14.979 579 H ASN 74 H ASN 74 -5.508 0.853 14.396 580 HA ASN 74 HA ASN 74 -8.140 -0.258 14.169 581 HB2 ASN 74 2HB ASN 74 -7.951 0.976 12.018 582 HB3 ASN 74 3HB ASN 74 -6.544 -0.002 11.614 583 HD21 ASN 74 1HD2 ASN 74 -7.648 -0.739 9.763 584 HD22 ASN 74 2HD2 ASN 74 -8.864 -1.963 9.875 585 H LEU 75 H LEU 75 -4.949 -0.925 12.656 586 HA LEU 75 HA LEU 75 -5.206 -3.681 13.597 587 HB2 LEU 75 2HB LEU 75 -3.227 -2.426 11.699 588 HB3 LEU 75 3HB LEU 75 -3.182 -4.107 12.193 589 HG LEU 75 HG LEU 75 -5.717 -3.951 11.265 590 HD11 LEU 75 1HD1 LEU 75 -5.688 -2.693 9.175 591 HD12 LEU 75 2HD1 LEU 75 -4.082 -2.075 9.569 592 HD13 LEU 75 3HD1 LEU 75 -5.469 -1.632 10.568 593 HD21 LEU 75 3HD2 LEU 75 -4.073 -5.641 10.682 594 HD22 LEU 75 1HD2 LEU 75 -3.219 -4.484 9.662 595 HD23 LEU 75 2HD2 LEU 75 -4.847 -5.007 9.230 596 H GLU 76 H GLU 76 -3.484 -0.790 14.288 597 HA GLU 76 HA GLU 76 -1.293 -2.074 15.613 598 HB2 GLU 76 2HB GLU 76 -1.033 0.148 14.610 599 HB3 GLU 76 3HB GLU 76 -2.240 0.796 15.712 600 HG2 GLU 76 2HG GLU 76 -0.748 0.160 17.602 601 HG3 GLU 76 3HG GLU 76 0.484 -0.268 16.415 602 H HIS 77 H HIS 77 -1.854 -3.310 17.304 603 HA HIS 77 HA HIS 77 -3.355 -1.976 19.450 604 HB2 HIS 77 2HB HIS 77 -4.186 -4.234 18.659 605 HB3 HIS 77 3HB HIS 77 -2.684 -4.921 19.270 606 HD1 HIS 77 HD1 HIS 77 -5.461 -2.709 20.687 607 HD2 HIS 77 HD2 HIS 77 -2.982 -5.870 21.774 608 HE1 HIS 77 HE1 HIS 77 -6.147 -3.341 23.024 609 HE2 HIS 77 HE2 HIS 77 -4.523 -5.137 23.724 610 H HIS 78 H HIS 78 -1.324 -0.739 19.552 611 HA HIS 78 HA HIS 78 1.184 -1.658 20.165 612 HB2 HIS 78 2HB HIS 78 0.671 0.688 19.722 613 HB3 HIS 78 3HB HIS 78 -0.211 0.801 21.239 614 HD1 HIS 78 HD1 HIS 78 1.076 1.920 22.992 615 HD2 HIS 78 HD2 HIS 78 3.548 -0.141 20.359 616 HE1 HIS 78 HE1 HIS 78 3.424 2.363 23.779 617 HE2 HIS 78 HE2 HIS 78 4.866 0.887 22.336 618 H HIS 79 H HIS 79 2.082 -2.709 21.795 619 HA HIS 79 HA HIS 79 0.341 -3.608 23.917 620 HB2 HIS 79 2HB HIS 79 3.143 -4.381 23.115 621 HB3 HIS 79 3HB HIS 79 2.318 -5.075 24.507 622 HD1 HIS 79 HD1 HIS 79 1.051 -7.150 24.047 623 HD2 HIS 79 HD2 HIS 79 1.587 -4.869 20.610 624 HE1 HIS 79 HE1 HIS 79 0.095 -8.521 22.161 625 HE2 HIS 79 HE2 HIS 79 0.287 -7.051 20.121 626 H HIS 80 H HIS 80 0.597 -1.051 24.414 627 HA HIS 80 HA HIS 80 0.776 0.286 26.229 628 HB2 HIS 80 2HB HIS 80 0.450 -1.856 27.479 629 HB3 HIS 80 3HB HIS 80 2.199 -2.005 27.590 630 HD1 HIS 80 HD1 HIS 80 -0.713 -0.191 29.029 631 HD2 HIS 80 HD2 HIS 80 3.430 -0.229 29.409 632 HE1 HIS 80 HE1 HIS 80 -0.210 1.109 31.120 633 HE2 HIS 80 HE2 HIS 80 2.287 0.931 31.425 634 H HIS 81 H HIS 81 3.809 -1.583 26.113 635 HA HIS 81 HA HIS 81 5.426 0.419 27.203 636 HB2 HIS 81 2HB HIS 81 6.063 -1.935 27.147 637 HB3 HIS 81 3HB HIS 81 6.169 -1.884 25.392 638 HD1 HIS 81 HD1 HIS 81 8.251 -0.717 24.358 639 HD2 HIS 81 HD2 HIS 81 8.255 -0.875 28.516 640 HE1 HIS 81 HE1 HIS 81 10.595 -0.147 25.055 641 HE2 HIS 81 HE2 HIS 81 10.619 -0.425 27.556 642 H HIS 82 H HIS 82 5.722 2.387 26.363 643 HA HIS 82 HA HIS 82 6.254 2.656 23.492 644 HB2 HIS 82 2HB HIS 82 4.724 4.310 24.487 645 HB3 HIS 82 3HB HIS 82 5.968 4.778 25.642 646 HD1 HIS 82 HD1 HIS 82 4.761 5.416 22.219 647 HD2 HIS 82 HD2 HIS 82 8.158 6.235 24.479 648 HE1 HIS 82 HE1 HIS 82 6.023 7.180 20.937 649 HE2 HIS 82 HE2 HIS 82 8.153 7.542 22.244 650 H1 MET 1 1H MET 1 -17.649 -23.182 -7.690 651 H2 MET 1 2H MET 1 -17.817 -22.219 -9.072 652 H3 MET 1 3H MET 1 -16.302 -22.876 -8.674 653 HA MET 1 HA MET 1 -17.193 -25.113 -8.991 654 HB2 MET 1 2HB MET 1 -19.606 -23.614 -10.044 655 HB3 MET 1 3HB MET 1 -19.333 -25.339 -10.230 656 HG2 MET 1 2HG MET 1 -20.875 -25.048 -8.464 657 HG3 MET 1 3HG MET 1 -19.342 -25.532 -7.745 658 HE1 MET 1 3HE MET 1 -20.347 -24.744 -5.375 659 HE2 MET 1 1HE MET 1 -21.831 -24.230 -6.176 660 HE3 MET 1 2HE MET 1 -20.988 -23.126 -5.090 661 H LYS 2 H LYS 2 -17.777 -22.270 -11.032 662 HA LYS 2 HA LYS 2 -16.790 -23.612 -13.394 663 HB2 LYS 2 2HB LYS 2 -17.475 -20.707 -12.915 664 HB3 LYS 2 3HB LYS 2 -17.130 -21.423 -14.480 665 HG2 LYS 2 2HG LYS 2 -19.413 -22.232 -12.698 666 HG3 LYS 2 3HG LYS 2 -19.539 -21.082 -14.031 667 HD2 LYS 2 2HD LYS 2 -18.540 -23.897 -14.351 668 HD3 LYS 2 3HD LYS 2 -20.231 -23.438 -14.567 669 HE2 LYS 2 2HE LYS 2 -19.583 -21.884 -16.335 670 HE3 LYS 2 3HE LYS 2 -17.888 -22.317 -16.104 671 HZ1 LYS 2 3HZ LYS 2 -20.045 -24.164 -16.983 672 HZ2 LYS 2 1HZ LYS 2 -18.415 -24.581 -16.757 673 HZ3 LYS 2 2HZ LYS 2 -18.848 -23.488 -17.978 674 H LYS 3 H LYS 3 -14.809 -23.285 -14.377 675 HA LYS 3 HA LYS 3 -12.754 -22.165 -12.662 676 HB2 LYS 3 2HB LYS 3 -12.637 -23.734 -15.233 677 HB3 LYS 3 3HB LYS 3 -11.210 -23.030 -14.490 678 HG2 LYS 3 2HG LYS 3 -11.565 -24.366 -12.491 679 HG3 LYS 3 3HG LYS 3 -13.034 -25.044 -13.193 680 HD2 LYS 3 2HD LYS 3 -11.115 -26.570 -13.410 681 HD3 LYS 3 3HD LYS 3 -11.747 -26.070 -14.978 682 HE2 LYS 3 2HE LYS 3 -9.319 -26.031 -14.992 683 HE3 LYS 3 3HE LYS 3 -9.963 -24.400 -15.161 684 HZ1 LYS 3 3HZ LYS 3 -8.080 -24.538 -13.616 685 HZ2 LYS 3 1HZ LYS 3 -8.979 -25.571 -12.613 686 HZ3 LYS 3 2HZ LYS 3 -9.488 -23.969 -12.856 687 H MET 4 H MET 4 -12.396 -22.020 -16.105 688 HA MET 4 HA MET 4 -11.916 -20.351 -17.540 689 HB2 MET 4 2HB MET 4 -13.842 -18.846 -15.775 690 HB3 MET 4 3HB MET 4 -13.235 -18.242 -17.310 691 HG2 MET 4 2HG MET 4 -14.239 -20.174 -18.444 692 HG3 MET 4 3HG MET 4 -14.880 -20.728 -16.898 693 HE1 MET 4 3HE MET 4 -16.711 -20.265 -19.510 694 HE2 MET 4 1HE MET 4 -18.110 -19.533 -18.727 695 HE3 MET 4 2HE MET 4 -17.269 -20.877 -17.954 696 H ALA 5 H ALA 5 -11.347 -17.738 -17.423 697 HA ALA 5 HA ALA 5 -9.089 -17.694 -15.536 698 HB1 ALA 5 3HB ALA 5 -8.497 -17.620 -17.916 699 HB2 ALA 5 1HB ALA 5 -8.008 -16.152 -17.070 700 HB3 ALA 5 2HB ALA 5 -9.443 -16.141 -18.097 701 H GLU 6 H GLU 6 -12.111 -16.465 -15.908 702 HA GLU 6 HA GLU 6 -11.534 -13.796 -14.926 703 HB2 GLU 6 2HB GLU 6 -14.098 -15.195 -15.672 704 HB3 GLU 6 3HB GLU 6 -14.051 -13.571 -14.998 705 HG2 GLU 6 2HG GLU 6 -12.865 -12.738 -16.873 706 HG3 GLU 6 3HG GLU 6 -12.583 -14.362 -17.494 707 H PHE 7 H PHE 7 -10.589 -14.427 -12.934 708 HA PHE 7 HA PHE 7 -12.130 -15.764 -10.926 709 HB2 PHE 7 2HB PHE 7 -9.640 -14.052 -10.722 710 HB3 PHE 7 3HB PHE 7 -10.345 -14.942 -9.379 711 HD1 PHE 7 HD2 PHE 7 -8.469 -15.190 -12.503 712 HD2 PHE 7 HD1 PHE 7 -10.171 -17.347 -9.251 713 HE1 PHE 7 HE2 PHE 7 -7.142 -17.166 -13.124 714 HE2 PHE 7 HE1 PHE 7 -8.843 -19.324 -9.864 715 HZ PHE 7 HZ PHE 7 -7.328 -19.236 -11.804 716 H THR 8 H THR 8 -13.789 -14.905 -9.874 717 HA THR 8 HA THR 8 -14.413 -12.133 -10.065 718 HB THR 8 HB THR 8 -16.197 -13.817 -9.961 719 HG1 THR 8 HG1 THR 8 -17.388 -12.332 -9.066 720 HG21 THR 8 3HG2 THR 8 -15.337 -14.250 -7.096 721 HG22 THR 8 1HG2 THR 8 -15.117 -15.397 -8.418 722 HG23 THR 8 2HG2 THR 8 -16.741 -14.967 -7.885 723 H PHE 9 H PHE 9 -14.223 -10.538 -8.565 724 HA PHE 9 HA PHE 9 -13.189 -11.165 -5.922 725 HB2 PHE 9 2HB PHE 9 -11.347 -9.546 -6.098 726 HB3 PHE 9 3HB PHE 9 -11.154 -10.861 -7.246 727 HD1 PHE 9 HD2 PHE 9 -11.884 -10.415 -9.671 728 HD2 PHE 9 HD1 PHE 9 -11.258 -7.342 -6.797 729 HE1 PHE 9 HE2 PHE 9 -11.620 -8.777 -11.488 730 HE2 PHE 9 HE1 PHE 9 -10.990 -5.698 -8.609 731 HZ PHE 9 HZ PHE 9 -11.171 -6.414 -10.955 732 H GLU 10 H GLU 10 -14.260 -10.024 -4.468 733 HA GLU 10 HA GLU 10 -15.436 -7.456 -5.280 734 HB2 GLU 10 2HB GLU 10 -17.063 -9.404 -5.441 735 HB3 GLU 10 3HB GLU 10 -16.943 -9.538 -3.694 736 HG2 GLU 10 2HG GLU 10 -17.918 -7.397 -3.376 737 HG3 GLU 10 3HG GLU 10 -17.799 -7.020 -5.097 738 H ILE 11 H ILE 11 -15.815 -5.989 -3.578 739 HA ILE 11 HA ILE 11 -13.852 -6.196 -1.500 740 HB ILE 11 HB ILE 11 -15.936 -4.058 -1.962 741 HG12 ILE 11 2HG1 ILE 11 -13.015 -4.156 -2.758 742 HG13 ILE 11 3HG1 ILE 11 -14.377 -4.347 -3.858 743 HG21 ILE 11 1HG2 ILE 11 -15.125 -4.027 0.326 744 HG22 ILE 11 2HG2 ILE 11 -14.491 -2.645 -0.566 745 HG23 ILE 11 3HG2 ILE 11 -13.455 -4.037 -0.247 746 HD11 ILE 11 3HD1 ILE 11 -13.453 -2.118 -4.008 747 HD12 ILE 11 1HD1 ILE 11 -13.706 -1.875 -2.279 748 HD13 ILE 11 2HD1 ILE 11 -15.090 -2.062 -3.355 749 H GLU 12 H GLU 12 -14.115 -6.989 0.448 750 HA GLU 12 HA GLU 12 -16.768 -7.690 1.416 751 HB2 GLU 12 2HB GLU 12 -13.968 -8.268 2.368 752 HB3 GLU 12 3HB GLU 12 -15.382 -8.679 3.329 753 HG2 GLU 12 2HG GLU 12 -15.006 -9.629 0.510 754 HG3 GLU 12 3HG GLU 12 -14.405 -10.517 1.911 755 H GLU 13 H GLU 13 -14.057 -5.621 2.277 756 HA GLU 13 HA GLU 13 -15.681 -3.931 3.930 757 HB2 GLU 13 2HB GLU 13 -15.351 -5.738 5.502 758 HB3 GLU 13 3HB GLU 13 -13.630 -5.779 5.159 759 HG2 GLU 13 2HG GLU 13 -13.452 -3.493 6.116 760 HG3 GLU 13 3HG GLU 13 -15.147 -3.614 6.591 761 H HIS 14 H HIS 14 -14.898 -1.948 3.525 762 HA HIS 14 HA HIS 14 -12.082 -1.711 2.773 763 HB2 HIS 14 2HB HIS 14 -12.575 0.299 1.719 764 HB3 HIS 14 3HB HIS 14 -14.048 -0.617 1.471 765 HD1 HIS 14 HD1 HIS 14 -13.107 2.637 2.091 766 HD2 HIS 14 HD2 HIS 14 -15.930 0.155 3.854 767 HE1 HIS 14 HE1 HIS 14 -14.711 4.174 3.260 768 HE2 HIS 14 HE2 HIS 14 -16.556 2.660 4.057 769 H LEU 15 H LEU 15 -10.589 -0.577 3.926 770 HA LEU 15 HA LEU 15 -11.193 -0.382 6.745 771 HB2 LEU 15 2HB LEU 15 -8.606 0.130 5.271 772 HB3 LEU 15 3HB LEU 15 -8.788 -0.030 7.009 773 HG LEU 15 HG LEU 15 -9.382 -2.229 5.028 774 HD11 LEU 15 1HD1 LEU 15 -6.969 -1.792 6.776 775 HD12 LEU 15 2HD1 LEU 15 -7.018 -1.704 5.015 776 HD13 LEU 15 3HD1 LEU 15 -7.303 -3.240 5.830 777 HD21 LEU 15 3HD2 LEU 15 -9.175 -2.236 8.037 778 HD22 LEU 15 1HD2 LEU 15 -9.395 -3.658 7.019 779 HD23 LEU 15 2HD2 LEU 15 -10.651 -2.423 7.092 780 H LEU 16 H LEU 16 -9.668 1.808 4.379 781 HA LEU 16 HA LEU 16 -11.220 4.018 5.417 782 HB2 LEU 16 2HB LEU 16 -9.347 5.454 5.903 783 HB3 LEU 16 3HB LEU 16 -9.237 4.007 6.885 784 HG LEU 16 HG LEU 16 -7.732 3.936 4.342 785 HD11 LEU 16 1HD1 LEU 16 -7.339 6.239 5.019 786 HD12 LEU 16 2HD1 LEU 16 -5.889 5.263 5.261 787 HD13 LEU 16 3HD1 LEU 16 -6.900 5.701 6.639 788 HD21 LEU 16 3HD2 LEU 16 -7.685 2.128 6.023 789 HD22 LEU 16 1HD2 LEU 16 -6.992 3.259 7.186 790 HD23 LEU 16 2HD2 LEU 16 -6.093 2.827 5.731 791 H THR 17 H THR 17 -11.378 5.728 3.983 792 HA THR 17 HA THR 17 -10.379 5.216 1.294 793 HB THR 17 HB THR 17 -12.264 7.358 2.314 794 HG1 THR 17 HG1 THR 17 -12.885 5.120 0.657 795 HG21 THR 17 3HG2 THR 17 -12.781 7.734 -0.069 796 HG22 THR 17 1HG2 THR 17 -11.501 6.606 -0.514 797 HG23 THR 17 2HG2 THR 17 -11.101 8.115 0.308 798 H LEU 18 H LEU 18 -8.578 6.133 0.567 799 HA LEU 18 HA LEU 18 -7.081 7.880 2.279 800 HB2 LEU 18 2HB LEU 18 -6.508 6.875 -0.512 801 HB3 LEU 18 3HB LEU 18 -5.369 7.750 0.494 802 HG LEU 18 HG LEU 18 -6.532 5.043 1.162 803 HD11 LEU 18 1HD1 LEU 18 -5.060 4.940 -0.779 804 HD12 LEU 18 2HD1 LEU 18 -4.306 4.190 0.631 805 HD13 LEU 18 3HD1 LEU 18 -3.809 5.803 0.118 806 HD21 LEU 18 3HD2 LEU 18 -4.778 5.018 2.885 807 HD22 LEU 18 1HD2 LEU 18 -5.945 6.315 3.143 808 HD23 LEU 18 2HD2 LEU 18 -4.358 6.678 2.464 809 H SER 19 H SER 19 -8.274 8.159 -1.076 810 HA SER 19 HA SER 19 -8.771 10.962 -0.748 811 HB2 SER 19 2HB SER 19 -7.073 11.604 -2.513 812 HB3 SER 19 3HB SER 19 -6.398 11.140 -0.950 813 HG SER 19 HG SER 19 -5.265 10.113 -2.620 814 H GLU 20 H GLU 20 -9.810 11.905 -2.502 815 HA GLU 20 HA GLU 20 -10.444 10.130 -4.761 816 HB2 GLU 20 2HB GLU 20 -12.386 10.974 -3.450 817 HB3 GLU 20 3HB GLU 20 -11.901 12.616 -3.833 818 HG2 GLU 20 2HG GLU 20 -12.227 12.133 -6.222 819 HG3 GLU 20 3HG GLU 20 -12.779 10.513 -5.793 820 H ASN 21 H ASN 21 -8.999 10.500 -6.305 821 HA ASN 21 HA ASN 21 -7.660 13.074 -6.444 822 HB2 ASN 21 2HB ASN 21 -7.140 10.473 -7.901 823 HB3 ASN 21 3HB ASN 21 -6.169 11.927 -8.084 824 HD21 ASN 21 1HD2 ASN 21 -6.340 12.631 -5.263 825 HD22 ASN 21 2HD2 ASN 21 -5.306 11.524 -4.424 826 H GLU 22 H GLU 22 -8.229 14.607 -7.776 827 HA GLU 22 HA GLU 22 -8.982 15.746 -9.593 828 HB2 GLU 22 2HB GLU 22 -8.281 13.185 -11.034 829 HB3 GLU 22 3HB GLU 22 -8.440 14.777 -11.763 830 HG2 GLU 22 2HG GLU 22 -6.526 15.584 -10.570 831 HG3 GLU 22 3HG GLU 22 -6.421 14.091 -9.640 832 H LYS 23 H LYS 23 -10.970 14.350 -8.101 833 HA LYS 23 HA LYS 23 -13.018 13.369 -8.151 834 HB2 LYS 23 2HB LYS 23 -14.685 14.681 -9.433 835 HB3 LYS 23 3HB LYS 23 -13.622 15.656 -8.439 836 HG2 LYS 23 2HG LYS 23 -12.344 16.295 -10.417 837 HG3 LYS 23 3HG LYS 23 -13.388 15.289 -11.423 838 HD2 LYS 23 2HD LYS 23 -15.321 16.659 -10.746 839 HD3 LYS 23 3HD LYS 23 -14.246 17.681 -9.794 840 HE2 LYS 23 2HE LYS 23 -14.107 17.260 -12.778 841 HE3 LYS 23 3HE LYS 23 -14.763 18.683 -11.969 842 HZ1 LYS 23 3HZ LYS 23 -11.939 17.751 -11.961 843 HZ2 LYS 23 1HZ LYS 23 -12.526 19.005 -10.976 844 HZ3 LYS 23 2HZ LYS 23 -12.555 19.169 -12.660 845 H GLY 24 H GLY 24 -12.487 11.326 -8.854 846 HA2 GLY 24 2HA GLY 24 -13.975 10.100 -10.727 847 HA3 GLY 24 3HA GLY 24 -12.599 10.667 -11.669 848 H TRP 25 H TRP 25 -10.526 10.354 -9.977 849 HA TRP 25 HA TRP 25 -10.221 7.473 -9.825 850 HB2 TRP 25 2HB TRP 25 -8.343 9.742 -9.116 851 HB3 TRP 25 3HB TRP 25 -7.914 8.041 -9.043 852 HD1 TRP 25 HD1 TRP 25 -9.629 9.980 -11.952 853 HE1 TRP 25 HE1 TRP 25 -8.170 9.663 -14.051 854 HE3 TRP 25 HE3 TRP 25 -5.828 7.279 -9.881 855 HZ2 TRP 25 HZ2 TRP 25 -5.709 8.427 -14.728 856 HZ3 TRP 25 HZ3 TRP 25 -3.961 6.571 -11.315 857 HH2 TRP 25 HH2 TRP 25 -3.907 7.133 -13.685 858 H THR 26 H THR 26 -11.331 6.622 -8.026 859 HA THR 26 HA THR 26 -10.830 8.017 -5.486 860 HB THR 26 HB THR 26 -12.571 5.574 -5.808 861 HG1 THR 26 HG1 THR 26 -13.047 8.245 -6.529 862 HG21 THR 26 3HG2 THR 26 -13.691 6.523 -3.831 863 HG22 THR 26 1HG2 THR 26 -12.549 7.869 -3.838 864 HG23 THR 26 2HG2 THR 26 -11.978 6.228 -3.526 865 H LYS 27 H LYS 27 -9.581 7.130 -3.889 866 HA LYS 27 HA LYS 27 -8.270 4.573 -4.508 867 HB2 LYS 27 2HB LYS 27 -6.936 6.555 -5.320 868 HB3 LYS 27 3HB LYS 27 -6.801 7.069 -3.647 869 HG2 LYS 27 2HG LYS 27 -5.506 5.157 -3.085 870 HG3 LYS 27 3HG LYS 27 -5.833 4.404 -4.648 871 HD2 LYS 27 2HD LYS 27 -3.618 5.333 -4.710 872 HD3 LYS 27 3HD LYS 27 -4.664 6.320 -5.737 873 HE2 LYS 27 2HE LYS 27 -4.960 7.819 -3.697 874 HE3 LYS 27 3HE LYS 27 -3.605 6.931 -2.997 875 HZ1 LYS 27 3HZ LYS 27 -2.295 7.588 -4.985 876 HZ2 LYS 27 1HZ LYS 27 -2.779 8.898 -4.022 877 HZ3 LYS 27 2HZ LYS 27 -3.588 8.569 -5.473 878 H GLU 28 H GLU 28 -8.282 3.268 -2.807 879 HA GLU 28 HA GLU 28 -7.875 4.315 -0.168 880 HB2 GLU 28 2HB GLU 28 -9.976 3.355 0.752 881 HB3 GLU 28 3HB GLU 28 -10.215 4.745 -0.297 882 HG2 GLU 28 2HG GLU 28 -10.893 3.285 -2.111 883 HG3 GLU 28 3HG GLU 28 -10.597 1.870 -1.097 884 H ILE 29 H ILE 29 -8.439 2.386 1.443 885 HA ILE 29 HA ILE 29 -7.003 0.050 0.368 886 HB ILE 29 HB ILE 29 -6.856 1.276 3.130 887 HG12 ILE 29 2HG1 ILE 29 -4.771 1.007 0.954 888 HG13 ILE 29 3HG1 ILE 29 -5.636 2.485 1.346 889 HG21 ILE 29 1HG2 ILE 29 -5.184 -0.445 3.620 890 HG22 ILE 29 2HG2 ILE 29 -5.474 -1.173 2.041 891 HG23 ILE 29 3HG2 ILE 29 -6.756 -1.156 3.252 892 HD11 ILE 29 3HD1 ILE 29 -3.408 2.510 2.278 893 HD12 ILE 29 1HD1 ILE 29 -3.731 1.009 3.145 894 HD13 ILE 29 2HD1 ILE 29 -4.611 2.477 3.565 895 H ASN 30 H ASN 30 -8.225 -1.712 0.321 896 HA ASN 30 HA ASN 30 -10.247 -2.097 2.399 897 HB2 ASN 30 2HB ASN 30 -11.946 -2.694 0.705 898 HB3 ASN 30 3HB ASN 30 -11.450 -1.010 0.585 899 HD21 ASN 30 1HD2 ASN 30 -10.271 -0.335 -1.212 900 HD22 ASN 30 2HD2 ASN 30 -10.118 -1.308 -2.631 901 H ARG 31 H ARG 31 -11.220 -4.323 2.253 902 HA ARG 31 HA ARG 31 -9.129 -6.227 1.470 903 HB2 ARG 31 2HB ARG 31 -11.449 -6.540 3.384 904 HB3 ARG 31 3HB ARG 31 -10.314 -7.820 2.974 905 HG2 ARG 31 2HG ARG 31 -8.483 -6.311 3.830 906 HG3 ARG 31 3HG ARG 31 -9.762 -5.265 4.456 907 HD2 ARG 31 2HD ARG 31 -9.363 -8.174 5.156 908 HD3 ARG 31 3HD ARG 31 -8.907 -6.806 6.166 909 HE ARG 31 HE ARG 31 -11.290 -6.278 6.348 910 HH11 ARG 31 1HH1 ARG 31 -10.419 -9.479 5.206 911 HH12 ARG 31 2HH1 ARG 31 -11.901 -10.214 5.744 912 HH21 ARG 31 1HH2 ARG 31 -13.213 -7.215 7.056 913 HH22 ARG 31 2HH2 ARG 31 -13.513 -8.906 6.775 914 H VAL 32 H VAL 32 -9.398 -7.347 -0.297 915 HA VAL 32 HA VAL 32 -12.083 -7.577 -1.466 916 HB VAL 32 HB VAL 32 -9.393 -7.975 -2.788 917 HG11 VAL 32 1HG1 VAL 32 -12.159 -7.827 -3.974 918 HG12 VAL 32 2HG1 VAL 32 -11.148 -9.268 -3.856 919 HG13 VAL 32 3HG1 VAL 32 -10.651 -7.925 -4.885 920 HG21 VAL 32 3HG2 VAL 32 -9.740 -5.651 -2.137 921 HG22 VAL 32 1HG2 VAL 32 -11.295 -5.645 -2.969 922 HG23 VAL 32 2HG2 VAL 32 -9.803 -5.839 -3.889 923 H SER 33 H SER 33 -13.040 -9.511 -1.640 924 HA SER 33 HA SER 33 -11.568 -11.883 -0.793 925 HB2 SER 33 2HB SER 33 -13.862 -11.406 0.109 926 HB3 SER 33 3HB SER 33 -14.500 -11.622 -1.519 927 HG SER 33 HG SER 33 -12.916 -13.649 -0.368 928 H PHE 34 H PHE 34 -10.490 -12.944 -2.287 929 HA PHE 34 HA PHE 34 -11.266 -12.783 -5.082 930 HB2 PHE 34 2HB PHE 34 -8.917 -14.180 -3.776 931 HB3 PHE 34 3HB PHE 34 -9.156 -13.976 -5.509 932 HD1 PHE 34 HD2 PHE 34 -9.057 -11.702 -6.503 933 HD2 PHE 34 HD1 PHE 34 -8.012 -12.453 -2.446 934 HE1 PHE 34 HE2 PHE 34 -7.878 -9.544 -6.410 935 HE2 PHE 34 HE1 PHE 34 -6.830 -10.299 -2.346 936 HZ PHE 34 HZ PHE 34 -6.762 -8.841 -4.331 937 H ASN 35 H ASN 35 -12.516 -14.220 -6.013 938 HA ASN 35 HA ASN 35 -14.001 -15.903 -6.182 939 HB2 ASN 35 2HB ASN 35 -12.967 -18.183 -6.349 940 HB3 ASN 35 3HB ASN 35 -12.233 -16.948 -7.354 941 HD21 ASN 35 1HD2 ASN 35 -10.122 -16.297 -6.928 942 HD22 ASN 35 2HD2 ASN 35 -9.080 -17.172 -5.865 943 H GLY 36 H GLY 36 -12.277 -18.051 -4.023 944 HA2 GLY 36 2HA GLY 36 -14.419 -17.631 -2.030 945 HA3 GLY 36 3HA GLY 36 -13.923 -19.245 -2.525 946 H ALA 37 H ALA 37 -11.717 -16.568 -2.080 947 HA ALA 37 HA ALA 37 -10.510 -18.016 0.185 948 HB1 ALA 37 3HB ALA 37 -9.226 -16.095 -1.760 949 HB2 ALA 37 1HB ALA 37 -9.074 -17.851 -1.793 950 HB3 ALA 37 2HB ALA 37 -8.405 -16.934 -0.444 951 HA PRO 38 HA PRO 38 -11.279 -14.781 3.105 952 HB2 PRO 38 2HB PRO 38 -8.329 -14.709 3.554 953 HB3 PRO 38 3HB PRO 38 -9.645 -14.871 4.724 954 HG2 PRO 38 2HG PRO 38 -8.191 -16.985 4.037 955 HG3 PRO 38 3HG PRO 38 -9.942 -17.126 4.273 956 HD2 PRO 38 2HD PRO 38 -8.375 -17.051 1.733 957 HD3 PRO 38 3HD PRO 38 -9.840 -17.971 2.131 958 H ALA 39 H ALA 39 -11.436 -12.617 3.081 959 HA ALA 39 HA ALA 39 -10.530 -11.166 0.837 960 HB1 ALA 39 3HB ALA 39 -12.601 -10.646 2.050 961 HB2 ALA 39 1HB ALA 39 -11.555 -9.238 1.887 962 HB3 ALA 39 2HB ALA 39 -11.645 -10.097 3.425 963 H LYS 40 H LYS 40 -8.456 -10.761 0.518 964 HA LYS 40 HA LYS 40 -6.686 -10.103 2.723 965 HB2 LYS 40 2HB LYS 40 -6.225 -10.495 -0.233 966 HB3 LYS 40 3HB LYS 40 -4.955 -9.982 0.868 967 HG2 LYS 40 2HG LYS 40 -5.184 -12.049 2.127 968 HG3 LYS 40 3HG LYS 40 -6.504 -12.560 1.071 969 HD2 LYS 40 2HD LYS 40 -5.009 -12.624 -0.832 970 HD3 LYS 40 3HD LYS 40 -3.688 -11.977 0.147 971 HE2 LYS 40 2HE LYS 40 -3.639 -13.960 1.494 972 HE3 LYS 40 3HE LYS 40 -5.082 -14.591 0.701 973 HZ1 LYS 40 3HZ LYS 40 -2.508 -14.069 -0.697 974 HZ2 LYS 40 1HZ LYS 40 -3.878 -14.838 -1.340 975 HZ3 LYS 40 2HZ LYS 40 -2.981 -15.587 -0.110 976 H PHE 41 H PHE 41 -5.158 -8.210 2.369 977 HA PHE 41 HA PHE 41 -6.843 -5.878 2.073 978 HB2 PHE 41 2HB PHE 41 -3.914 -6.062 2.812 979 HB3 PHE 41 3HB PHE 41 -4.948 -4.650 2.994 980 HD1 PHE 41 HD1 PHE 41 -6.596 -4.537 4.769 981 HD2 PHE 41 HD2 PHE 41 -4.045 -7.918 4.346 982 HE1 PHE 41 HE1 PHE 41 -7.177 -5.259 7.048 983 HE2 PHE 41 HE2 PHE 41 -4.626 -8.646 6.621 984 HZ PHE 41 HZ PHE 41 -6.194 -7.318 7.976 985 H ASP 42 H ASP 42 -7.075 -4.908 0.147 986 HA ASP 42 HA ASP 42 -4.805 -5.047 -1.731 987 HB2 ASP 42 2HB ASP 42 -6.936 -6.233 -2.418 988 HB3 ASP 42 3HB ASP 42 -7.709 -4.652 -2.481 989 H ILE 43 H ILE 43 -3.780 -3.209 -1.930 990 HA ILE 43 HA ILE 43 -5.064 -0.673 -1.221 991 HB ILE 43 HB ILE 43 -2.273 -0.935 -2.316 992 HG12 ILE 43 2HG1 ILE 43 -2.436 -2.624 -0.537 993 HG13 ILE 43 3HG1 ILE 43 -1.378 -1.297 -0.079 994 HG21 ILE 43 1HG2 ILE 43 -3.131 1.300 -2.026 995 HG22 ILE 43 2HG2 ILE 43 -1.844 1.000 -0.857 996 HG23 ILE 43 3HG2 ILE 43 -3.531 0.963 -0.345 997 HD11 ILE 43 3HD1 ILE 43 -2.767 -2.011 1.770 998 HD12 ILE 43 1HD1 ILE 43 -4.219 -1.675 0.828 999 HD13 ILE 43 2HD1 ILE 43 -3.148 -0.355 1.296 1000 H ARG 44 H ARG 44 -6.320 0.145 -2.901 1001 HA ARG 44 HA ARG 44 -5.114 0.238 -5.540 1002 HB2 ARG 44 2HB ARG 44 -5.985 -1.976 -5.613 1003 HB3 ARG 44 3HB ARG 44 -7.517 -1.470 -4.922 1004 HG2 ARG 44 2HG ARG 44 -8.119 -0.323 -6.941 1005 HG3 ARG 44 3HG ARG 44 -6.517 -0.595 -7.623 1006 HD2 ARG 44 2HD ARG 44 -8.321 -2.124 -8.467 1007 HD3 ARG 44 3HD ARG 44 -6.891 -2.924 -7.817 1008 HE ARG 44 HE ARG 44 -8.173 -3.398 -5.805 1009 HH11 ARG 44 1HH1 ARG 44 -9.970 -2.400 -8.656 1010 HH12 ARG 44 2HH1 ARG 44 -11.448 -3.173 -8.154 1011 HH21 ARG 44 1HH2 ARG 44 -10.109 -4.420 -5.147 1012 HH22 ARG 44 2HH2 ARG 44 -11.526 -4.334 -6.155 1013 H ALA 45 H ALA 45 -6.004 1.651 -6.930 1014 HA ALA 45 HA ALA 45 -8.230 3.309 -5.969 1015 HB1 ALA 45 3HB ALA 45 -6.143 4.527 -6.426 1016 HB2 ALA 45 1HB ALA 45 -7.427 5.005 -7.539 1017 HB3 ALA 45 2HB ALA 45 -6.150 3.912 -8.078 1018 H TRP 46 H TRP 46 -10.061 3.497 -7.249 1019 HA TRP 46 HA TRP 46 -10.047 1.812 -9.647 1020 HB2 TRP 46 2HB TRP 46 -12.601 1.864 -9.386 1021 HB3 TRP 46 3HB TRP 46 -11.669 0.850 -8.295 1022 HD1 TRP 46 HD1 TRP 46 -11.338 1.875 -5.733 1023 HE1 TRP 46 HE1 TRP 46 -13.013 3.228 -4.323 1024 HE3 TRP 46 HE3 TRP 46 -14.391 3.550 -9.485 1025 HZ2 TRP 46 HZ2 TRP 46 -15.327 4.801 -4.749 1026 HZ3 TRP 46 HZ3 TRP 46 -16.310 4.976 -8.894 1027 HH2 TRP 46 HH2 TRP 46 -16.765 5.585 -6.574 1028 H SER 47 H SER 47 -10.365 2.610 -11.517 1029 HA SER 47 HA SER 47 -10.446 5.505 -11.772 1030 HB2 SER 47 2HB SER 47 -8.633 4.130 -12.824 1031 HB3 SER 47 3HB SER 47 -9.850 3.361 -13.837 1032 HG SER 47 HG SER 47 -9.928 5.073 -15.073 1033 HA PRO 48 HA PRO 48 -14.561 5.602 -13.542 1034 HB2 PRO 48 2HB PRO 48 -14.281 7.630 -15.331 1035 HB3 PRO 48 3HB PRO 48 -14.399 7.889 -13.588 1036 HG2 PRO 48 2HG PRO 48 -11.960 7.805 -15.323 1037 HG3 PRO 48 3HG PRO 48 -12.374 8.947 -14.031 1038 HD2 PRO 48 2HD PRO 48 -10.672 6.899 -13.636 1039 HD3 PRO 48 3HD PRO 48 -11.767 7.472 -12.359 1040 H ASP 49 H ASP 49 -12.993 3.563 -14.588 1041 HA ASP 49 HA ASP 49 -14.323 3.060 -17.012 1042 HB2 ASP 49 2HB ASP 49 -12.370 2.865 -18.539 1043 HB3 ASP 49 3HB ASP 49 -12.689 4.523 -18.056 1044 H HIS 50 H HIS 50 -11.036 1.983 -16.332 1045 HA HIS 50 HA HIS 50 -11.995 -0.377 -14.897 1046 HB2 HIS 50 2HB HIS 50 -10.146 -0.497 -17.301 1047 HB3 HIS 50 3HB HIS 50 -10.506 -1.848 -16.236 1048 HD1 HIS 50 HD1 HIS 50 -11.725 -0.061 -19.206 1049 HD2 HIS 50 HD2 HIS 50 -13.226 -2.800 -16.446 1050 HE1 HIS 50 HE1 HIS 50 -13.807 -1.015 -20.252 1051 HE2 HIS 50 HE2 HIS 50 -14.661 -2.719 -18.601 1052 H THR 51 H THR 51 -9.103 1.121 -16.311 1053 HA THR 51 HA THR 51 -7.997 1.861 -13.826 1054 HB THR 51 HB THR 51 -7.587 -0.574 -13.626 1055 HG1 THR 51 HG1 THR 51 -5.898 0.123 -12.586 1056 HG21 THR 51 3HG2 THR 51 -5.861 -0.204 -16.081 1057 HG22 THR 51 1HG2 THR 51 -7.360 -1.130 -16.006 1058 HG23 THR 51 2HG2 THR 51 -5.946 -1.663 -15.094 1059 H LYS 52 H LYS 52 -6.400 3.335 -14.126 1060 HA LYS 52 HA LYS 52 -5.182 3.502 -16.800 1061 HB2 LYS 52 2HB LYS 52 -5.528 5.786 -14.842 1062 HB3 LYS 52 3HB LYS 52 -4.917 5.891 -16.488 1063 HG2 LYS 52 2HG LYS 52 -7.158 5.112 -17.283 1064 HG3 LYS 52 3HG LYS 52 -7.728 5.255 -15.620 1065 HD2 LYS 52 2HD LYS 52 -6.982 7.654 -15.679 1066 HD3 LYS 52 3HD LYS 52 -6.698 7.449 -17.406 1067 HE2 LYS 52 2HE LYS 52 -9.328 7.103 -15.972 1068 HE3 LYS 52 3HE LYS 52 -8.870 8.459 -16.998 1069 HZ1 LYS 52 3HZ LYS 52 -9.175 5.644 -17.878 1070 HZ2 LYS 52 1HZ LYS 52 -8.721 6.940 -18.875 1071 HZ3 LYS 52 2HZ LYS 52 -10.268 6.900 -18.175 1072 H MET 53 H MET 53 -4.458 4.803 -13.567 1073 HA MET 53 HA MET 53 -1.945 3.266 -13.596 1074 HB2 MET 53 2HB MET 53 -2.434 6.022 -12.449 1075 HB3 MET 53 3HB MET 53 -0.986 5.076 -12.144 1076 HG2 MET 53 2HG MET 53 -0.526 5.068 -14.569 1077 HG3 MET 53 3HG MET 53 -1.927 6.109 -14.807 1078 HE1 MET 53 3HE MET 53 -2.082 8.616 -13.928 1079 HE2 MET 53 1HE MET 53 -0.845 9.370 -12.922 1080 HE3 MET 53 2HE MET 53 -1.795 8.025 -12.292 1081 H GLY 54 H GLY 54 -4.758 2.867 -12.533 1082 HA2 GLY 54 2HA GLY 54 -4.113 2.585 -9.668 1083 HA3 GLY 54 3HA GLY 54 -5.737 2.829 -10.294 1084 H LYS 55 H LYS 55 -3.034 0.574 -10.231 1085 HA LYS 55 HA LYS 55 -4.821 -1.640 -10.933 1086 HB2 LYS 55 2HB LYS 55 -1.828 -1.395 -10.683 1087 HB3 LYS 55 3HB LYS 55 -2.632 -2.947 -10.886 1088 HG2 LYS 55 2HG LYS 55 -3.588 -2.149 -13.008 1089 HG3 LYS 55 3HG LYS 55 -2.713 -0.628 -12.807 1090 HD2 LYS 55 2HD LYS 55 -0.601 -1.765 -12.933 1091 HD3 LYS 55 3HD LYS 55 -1.397 -3.341 -12.924 1092 HE2 LYS 55 2HE LYS 55 -1.741 -1.249 -15.068 1093 HE3 LYS 55 3HE LYS 55 -0.640 -2.625 -15.175 1094 HZ1 LYS 55 3HZ LYS 55 -2.873 -2.897 -16.271 1095 HZ2 LYS 55 1HZ LYS 55 -3.554 -2.947 -14.720 1096 HZ3 LYS 55 2HZ LYS 55 -2.432 -4.129 -15.189 1097 H GLY 56 H GLY 56 -2.476 -0.674 -8.469 1098 HA2 GLY 56 2HA GLY 56 -2.824 -0.839 -6.158 1099 HA3 GLY 56 3HA GLY 56 -4.141 -1.962 -6.455 1100 H ILE 57 H ILE 57 -2.743 -2.775 -4.518 1101 HA ILE 57 HA ILE 57 -1.261 -5.055 -5.549 1102 HB ILE 57 HB ILE 57 0.536 -3.479 -5.191 1103 HG12 ILE 57 2HG1 ILE 57 0.383 -5.484 -2.927 1104 HG13 ILE 57 3HG1 ILE 57 0.964 -5.807 -4.556 1105 HG21 ILE 57 1HG2 ILE 57 -0.548 -3.137 -2.398 1106 HG22 ILE 57 2HG2 ILE 57 -0.597 -1.942 -3.692 1107 HG23 ILE 57 3HG2 ILE 57 0.952 -2.440 -3.013 1108 HD11 ILE 57 3HD1 ILE 57 2.820 -5.560 -3.062 1109 HD12 ILE 57 1HD1 ILE 57 2.230 -3.987 -2.526 1110 HD13 ILE 57 2HD1 ILE 57 2.788 -4.199 -4.185 1111 H THR 58 H THR 58 -1.405 -6.855 -4.224 1112 HA THR 58 HA THR 58 -3.340 -6.583 -2.050 1113 HB THR 58 HB THR 58 -2.378 -9.101 -3.419 1114 HG1 THR 58 HG1 THR 58 -4.527 -7.307 -3.914 1115 HG21 THR 58 3HG2 THR 58 -3.279 -9.506 -1.187 1116 HG22 THR 58 1HG2 THR 58 -4.397 -10.097 -2.417 1117 HG23 THR 58 2HG2 THR 58 -4.721 -8.574 -1.586 1118 H LEU 59 H LEU 59 -2.636 -6.513 -0.065 1119 HA LEU 59 HA LEU 59 -0.030 -7.703 0.608 1120 HB2 LEU 59 2HB LEU 59 -1.662 -5.735 2.219 1121 HB3 LEU 59 3HB LEU 59 -0.013 -6.240 2.534 1122 HG LEU 59 HG LEU 59 -0.934 -4.578 0.185 1123 HD11 LEU 59 1HD1 LEU 59 0.706 -3.840 2.606 1124 HD12 LEU 59 2HD1 LEU 59 -0.969 -3.370 2.308 1125 HD13 LEU 59 3HD1 LEU 59 0.313 -2.781 1.250 1126 HD21 LEU 59 3HD2 LEU 59 1.448 -4.331 -0.310 1127 HD22 LEU 59 1HD2 LEU 59 0.939 -6.014 -0.414 1128 HD23 LEU 59 2HD2 LEU 59 1.836 -5.451 0.995 1129 H SER 60 H SER 60 0.101 -9.300 2.111 1130 HA SER 60 HA SER 60 -2.368 -10.477 3.062 1131 HB2 SER 60 2HB SER 60 -0.495 -11.902 2.261 1132 HB3 SER 60 3HB SER 60 0.505 -11.294 3.580 1133 HG SER 60 HG SER 60 -0.389 -13.236 4.210 1134 H ASN 61 H ASN 61 -2.443 -11.110 5.434 1135 HA ASN 61 HA ASN 61 -2.514 -8.752 6.957 1136 HB2 ASN 61 2HB ASN 61 -2.891 -10.339 8.919 1137 HB3 ASN 61 3HB ASN 61 -4.040 -10.426 7.592 1138 HD21 ASN 61 1HD2 ASN 61 -4.633 -12.506 8.267 1139 HD22 ASN 61 2HD2 ASN 61 -3.634 -13.881 7.945 1140 H GLU 62 H GLU 62 -0.011 -11.097 6.535 1141 HA GLU 62 HA GLU 62 1.489 -10.648 8.867 1142 HB2 GLU 62 2HB GLU 62 2.435 -11.459 6.116 1143 HB3 GLU 62 3HB GLU 62 3.342 -11.651 7.609 1144 HG2 GLU 62 2HG GLU 62 1.913 -13.322 8.394 1145 HG3 GLU 62 3HG GLU 62 0.657 -12.918 7.222 1146 H GLU 63 H GLU 63 2.166 -9.464 5.558 1147 HA GLU 63 HA GLU 63 4.131 -7.633 6.496 1148 HB2 GLU 63 2HB GLU 63 4.208 -6.823 4.171 1149 HB3 GLU 63 3HB GLU 63 4.326 -8.574 4.273 1150 HG2 GLU 63 2HG GLU 63 1.629 -7.425 3.870 1151 HG3 GLU 63 3HG GLU 63 2.763 -7.322 2.527 1152 H PHE 64 H PHE 64 0.723 -7.463 6.036 1153 HA PHE 64 HA PHE 64 0.452 -4.672 5.743 1154 HB2 PHE 64 2HB PHE 64 -1.304 -6.581 5.460 1155 HB3 PHE 64 3HB PHE 64 -1.588 -6.338 7.181 1156 HD1 PHE 64 HD1 PHE 64 -1.589 -4.644 3.903 1157 HD2 PHE 64 HD2 PHE 64 -2.911 -4.554 7.942 1158 HE1 PHE 64 HE1 PHE 64 -3.081 -2.768 3.368 1159 HE2 PHE 64 HE2 PHE 64 -4.412 -2.678 7.413 1160 HZ PHE 64 HZ PHE 64 -4.497 -1.784 5.123 1161 H GLN 65 H GLN 65 0.158 -6.735 8.647 1162 HA GLN 65 HA GLN 65 0.017 -4.638 10.523 1163 HB2 GLN 65 2HB GLN 65 -0.543 -6.945 11.110 1164 HB3 GLN 65 3HB GLN 65 1.117 -7.445 10.825 1165 HG2 GLN 65 2HG GLN 65 0.799 -7.285 13.171 1166 HG3 GLN 65 3HG GLN 65 1.821 -5.939 12.677 1167 HE21 GLN 65 1HE2 GLN 65 -1.641 -6.043 12.185 1168 HE22 GLN 65 2HE2 GLN 65 -2.031 -4.806 13.325 1169 H THR 66 H THR 66 2.707 -6.311 9.032 1170 HA THR 66 HA THR 66 4.849 -5.413 10.517 1171 HB THR 66 HB THR 66 4.636 -5.994 7.563 1172 HG1 THR 66 HG1 THR 66 4.311 -7.810 8.828 1173 HG21 THR 66 3HG2 THR 66 6.567 -4.548 7.888 1174 HG22 THR 66 1HG2 THR 66 7.090 -6.200 7.555 1175 HG23 THR 66 2HG2 THR 66 7.140 -5.576 9.205 1176 H MET 67 H MET 67 3.391 -3.822 7.652 1177 HA MET 67 HA MET 67 5.252 -1.673 7.774 1178 HB2 MET 67 2HB MET 67 3.895 -0.611 6.025 1179 HB3 MET 67 3HB MET 67 4.311 -2.271 5.643 1180 HG2 MET 67 2HG MET 67 2.116 -2.105 4.968 1181 HG3 MET 67 3HG MET 67 1.983 -2.847 6.559 1182 HE1 MET 67 3HE MET 67 -0.409 -1.416 4.939 1183 HE2 MET 67 1HE MET 67 -1.211 -0.577 6.268 1184 HE3 MET 67 2HE MET 67 -0.608 -2.218 6.498 1185 H VAL 68 H VAL 68 2.023 -2.150 9.094 1186 HA VAL 68 HA VAL 68 1.372 0.456 9.819 1187 HB VAL 68 HB VAL 68 0.911 -2.039 11.485 1188 HG11 VAL 68 1HG1 VAL 68 0.590 0.026 12.766 1189 HG12 VAL 68 2HG1 VAL 68 -0.937 -0.810 12.491 1190 HG13 VAL 68 3HG1 VAL 68 -0.529 0.617 11.538 1191 HG21 VAL 68 3HG2 VAL 68 -1.309 -2.060 10.415 1192 HG22 VAL 68 1HG2 VAL 68 0.003 -2.302 9.263 1193 HG23 VAL 68 2HG2 VAL 68 -0.798 -0.735 9.371 1194 H ASP 69 H ASP 69 3.346 -1.914 11.565 1195 HA ASP 69 HA ASP 69 3.982 -0.188 13.742 1196 HB2 ASP 69 2HB ASP 69 4.020 -2.660 13.900 1197 HB3 ASP 69 3HB ASP 69 5.395 -2.694 12.804 1198 H ALA 70 H ALA 70 5.669 -1.121 10.772 1199 HA ALA 70 HA ALA 70 8.116 0.136 11.322 1200 HB1 ALA 70 3HB ALA 70 8.559 -0.050 8.944 1201 HB2 ALA 70 1HB ALA 70 6.852 -0.371 8.634 1202 HB3 ALA 70 2HB ALA 70 7.814 -1.530 9.552 1203 H PHE 71 H PHE 71 5.145 1.356 9.846 1204 HA PHE 71 HA PHE 71 6.284 3.862 9.110 1205 HB2 PHE 71 2HB PHE 71 3.428 2.939 9.340 1206 HB3 PHE 71 3HB PHE 71 3.873 4.564 8.820 1207 HD1 PHE 71 HD1 PHE 71 6.307 3.922 7.246 1208 HD2 PHE 71 HD2 PHE 71 2.500 2.033 7.376 1209 HE1 PHE 71 HE1 PHE 71 6.649 3.101 4.953 1210 HE2 PHE 71 HE2 PHE 71 2.831 1.207 5.079 1211 HZ PHE 71 HZ PHE 71 4.906 1.742 3.868 1212 H LYS 72 H LYS 72 4.712 2.650 12.012 1213 HA LYS 72 HA LYS 72 4.486 5.132 13.365 1214 HB2 LYS 72 2HB LYS 72 5.072 2.387 14.487 1215 HB3 LYS 72 3HB LYS 72 4.594 3.786 15.441 1216 HG2 LYS 72 2HG LYS 72 2.967 2.452 13.304 1217 HG3 LYS 72 3HG LYS 72 2.713 2.337 15.048 1218 HD2 LYS 72 2HD LYS 72 1.642 4.301 15.122 1219 HD3 LYS 72 3HD LYS 72 2.861 5.086 14.111 1220 HE2 LYS 72 2HE LYS 72 0.526 4.987 13.161 1221 HE3 LYS 72 3HE LYS 72 1.815 4.373 12.125 1222 HZ1 LYS 72 3HZ LYS 72 -0.237 2.973 12.257 1223 HZ2 LYS 72 1HZ LYS 72 0.171 2.626 13.870 1224 HZ3 LYS 72 2HZ LYS 72 1.208 2.162 12.606 1225 H GLY 73 H GLY 73 7.135 3.015 12.706 1226 HA2 GLY 73 2HA GLY 73 8.936 4.674 14.343 1227 HA3 GLY 73 3HA GLY 73 9.319 3.087 13.693 1228 H ASN 74 H ASN 74 7.797 5.550 11.744 1229 HA ASN 74 HA ASN 74 10.334 6.199 10.451 1230 HB2 ASN 74 2HB ASN 74 9.344 4.192 9.293 1231 HB3 ASN 74 3HB ASN 74 7.973 5.203 8.849 1232 HD21 ASN 74 1HD2 ASN 74 11.333 4.532 8.329 1233 HD22 ASN 74 2HD2 ASN 74 11.511 5.496 6.898 1234 H LEU 75 H LEU 75 6.830 6.638 9.845 1235 HA LEU 75 HA LEU 75 7.344 9.436 9.223 1236 HB2 LEU 75 2HB LEU 75 4.849 7.758 9.023 1237 HB3 LEU 75 3HB LEU 75 4.881 9.475 8.681 1238 HG LEU 75 HG LEU 75 6.765 8.801 6.980 1239 HD11 LEU 75 1HD1 LEU 75 6.919 6.475 7.657 1240 HD12 LEU 75 2HD1 LEU 75 6.381 6.606 5.982 1241 HD13 LEU 75 3HD1 LEU 75 5.220 6.230 7.255 1242 HD21 LEU 75 3HD2 LEU 75 4.656 9.835 6.373 1243 HD22 LEU 75 1HD2 LEU 75 3.833 8.280 6.505 1244 HD23 LEU 75 2HD2 LEU 75 5.047 8.530 5.249 1245 H GLU 76 H GLU 76 5.860 7.475 11.686 1246 HA GLU 76 HA GLU 76 4.625 9.680 13.056 1247 HB2 GLU 76 2HB GLU 76 3.745 7.377 13.225 1248 HB3 GLU 76 3HB GLU 76 5.230 6.869 14.011 1249 HG2 GLU 76 2HG GLU 76 3.661 7.131 15.728 1250 HG3 GLU 76 3HG GLU 76 4.696 8.556 15.817 1251 H HIS 77 H HIS 77 6.284 11.172 13.387 1252 HA HIS 77 HA HIS 77 8.206 10.392 15.472 1253 HB2 HIS 77 2HB HIS 77 9.318 10.615 13.243 1254 HB3 HIS 77 3HB HIS 77 8.796 12.296 13.194 1255 HD1 HIS 77 HD1 HIS 77 10.549 13.866 13.898 1256 HD2 HIS 77 HD2 HIS 77 10.939 10.179 15.784 1257 HE1 HIS 77 HE1 HIS 77 12.620 14.048 15.321 1258 HE2 HIS 77 HE2 HIS 77 12.932 11.745 16.311 1259 H HIS 78 H HIS 78 6.744 13.202 13.840 1260 HA HIS 78 HA HIS 78 5.824 14.204 16.378 1261 HB2 HIS 78 2HB HIS 78 8.149 15.104 16.263 1262 HB3 HIS 78 3HB HIS 78 7.741 15.893 14.744 1263 HD1 HIS 78 HD1 HIS 78 6.835 18.214 14.916 1264 HD2 HIS 78 HD2 HIS 78 6.551 16.139 18.516 1265 HE1 HIS 78 HE1 HIS 78 5.999 19.882 16.603 1266 HE2 HIS 78 HE2 HIS 78 6.010 18.657 18.807 1267 H HIS 79 H HIS 79 4.014 15.425 16.150 1268 HA HIS 79 HA HIS 79 3.284 16.295 13.424 1269 HB2 HIS 79 2HB HIS 79 1.458 15.043 15.493 1270 HB3 HIS 79 3HB HIS 79 0.915 15.764 13.987 1271 HD1 HIS 79 HD1 HIS 79 0.581 14.161 12.136 1272 HD2 HIS 79 HD2 HIS 79 3.267 12.738 14.975 1273 HE1 HIS 79 HE1 HIS 79 1.134 11.813 11.432 1274 HE2 HIS 79 HE2 HIS 79 2.493 10.881 13.344 1275 H HIS 80 H HIS 80 3.123 18.461 13.416 1276 HA HIS 80 HA HIS 80 2.290 19.792 15.887 1277 HB2 HIS 80 2HB HIS 80 2.846 21.925 14.677 1278 HB3 HIS 80 3HB HIS 80 4.201 20.851 14.968 1279 HD1 HIS 80 HD1 HIS 80 5.762 21.064 13.102 1280 HD2 HIS 80 HD2 HIS 80 1.810 21.136 11.796 1281 HE1 HIS 80 HE1 HIS 80 5.876 21.215 10.593 1282 HE2 HIS 80 HE2 HIS 80 3.484 21.112 9.822 1283 H HIS 81 H HIS 81 0.338 18.301 14.855 1284 HA HIS 81 HA HIS 81 -1.439 19.693 13.133 1285 HB2 HIS 81 2HB HIS 81 -1.546 17.250 13.511 1286 HB3 HIS 81 3HB HIS 81 -2.039 17.537 15.174 1287 HD1 HIS 81 HD1 HIS 81 -3.309 18.328 11.664 1288 HD2 HIS 81 HD2 HIS 81 -4.726 17.588 15.510 1289 HE1 HIS 81 HE1 HIS 81 -5.817 18.229 11.463 1290 HE2 HIS 81 HE2 HIS 81 -6.660 17.752 13.793 1291 H HIS 82 H HIS 82 -0.624 19.982 16.433 1292 HA HIS 82 HA HIS 82 -2.779 21.944 16.761 1293 HB2 HIS 82 2HB HIS 82 -2.458 21.568 19.270 1294 HB3 HIS 82 3HB HIS 82 -3.285 20.305 18.373 1295 HD1 HIS 82 HD1 HIS 82 0.287 21.008 19.505 1296 HD2 HIS 82 HD2 HIS 82 -2.373 17.856 19.021 1297 HE1 HIS 82 HE1 HIS 82 1.488 18.973 20.373 1298 HE2 HIS 82 HE2 HIS 82 -0.244 17.141 20.302 Start of MODEL 5 1 H1 MET 1 1H MET 1 1.146 1.740 -30.832 2 H2 MET 1 2H MET 1 1.710 3.194 -31.502 3 H3 MET 1 3H MET 1 0.275 3.181 -30.603 4 HA MET 1 HA MET 1 2.053 4.114 -29.308 5 HB2 MET 1 2HB MET 1 0.278 2.806 -28.192 6 HB3 MET 1 3HB MET 1 1.245 1.348 -28.372 7 HG2 MET 1 2HG MET 1 1.360 2.272 -26.115 8 HG3 MET 1 3HG MET 1 2.936 2.248 -26.903 9 HE1 MET 1 3HE MET 1 -0.055 4.774 -27.452 10 HE2 MET 1 1HE MET 1 0.380 6.051 -26.318 11 HE3 MET 1 2HE MET 1 -0.080 4.460 -25.717 12 H LYS 2 H LYS 2 4.110 3.915 -28.346 13 HA LYS 2 HA LYS 2 5.895 2.114 -29.816 14 HB2 LYS 2 2HB LYS 2 6.261 4.629 -29.786 15 HB3 LYS 2 3HB LYS 2 6.660 4.466 -28.082 16 HG2 LYS 2 2HG LYS 2 8.469 2.871 -28.740 17 HG3 LYS 2 3HG LYS 2 8.129 3.285 -30.423 18 HD2 LYS 2 2HD LYS 2 8.500 5.700 -29.763 19 HD3 LYS 2 3HD LYS 2 9.132 5.090 -28.231 20 HE2 LYS 2 2HE LYS 2 10.211 4.598 -31.001 21 HE3 LYS 2 3HE LYS 2 10.981 5.488 -29.689 22 HZ1 LYS 2 3HZ LYS 2 11.991 3.371 -29.794 23 HZ2 LYS 2 1HZ LYS 2 10.500 2.563 -29.852 24 HZ3 LYS 2 2HZ LYS 2 10.991 3.343 -28.426 25 H LYS 3 H LYS 3 7.042 0.541 -28.793 26 HA LYS 3 HA LYS 3 6.417 -0.085 -26.073 27 HB2 LYS 3 2HB LYS 3 7.962 -1.977 -26.369 28 HB3 LYS 3 3HB LYS 3 6.790 -1.877 -27.674 29 HG2 LYS 3 2HG LYS 3 8.430 -0.959 -29.160 30 HG3 LYS 3 3HG LYS 3 9.611 -0.844 -27.852 31 HD2 LYS 3 2HD LYS 3 9.520 -3.310 -27.618 32 HD3 LYS 3 3HD LYS 3 8.434 -3.369 -29.009 33 HE2 LYS 3 2HE LYS 3 10.155 -2.360 -30.409 34 HE3 LYS 3 3HE LYS 3 11.239 -2.265 -29.019 35 HZ1 LYS 3 3HZ LYS 3 10.140 -4.792 -30.136 36 HZ2 LYS 3 1HZ LYS 3 11.284 -4.647 -28.888 37 HZ3 LYS 3 2HZ LYS 3 11.690 -4.179 -30.464 38 H MET 4 H MET 4 7.428 0.542 -24.302 39 HA MET 4 HA MET 4 10.222 0.997 -24.116 40 HB2 MET 4 2HB MET 4 9.531 3.092 -25.277 41 HB3 MET 4 3HB MET 4 8.434 3.440 -23.947 42 HG2 MET 4 2HG MET 4 10.330 3.551 -22.416 43 HG3 MET 4 3HG MET 4 11.426 3.206 -23.749 44 HE1 MET 4 3HE MET 4 12.230 6.941 -23.016 45 HE2 MET 4 1HE MET 4 12.883 5.315 -23.212 46 HE3 MET 4 2HE MET 4 11.841 5.688 -21.837 47 H ALA 5 H ALA 5 10.870 1.275 -21.926 48 HA ALA 5 HA ALA 5 9.041 0.343 -19.955 49 HB1 ALA 5 3HB ALA 5 10.848 0.752 -18.364 50 HB2 ALA 5 1HB ALA 5 11.732 1.660 -19.590 51 HB3 ALA 5 2HB ALA 5 11.451 -0.068 -19.805 52 H GLU 6 H GLU 6 8.598 1.578 -17.914 53 HA GLU 6 HA GLU 6 7.291 4.019 -18.615 54 HB2 GLU 6 2HB GLU 6 6.525 2.232 -16.930 55 HB3 GLU 6 3HB GLU 6 7.656 2.984 -15.814 56 HG2 GLU 6 2HG GLU 6 5.444 3.835 -15.422 57 HG3 GLU 6 3HG GLU 6 6.461 5.119 -16.077 58 H PHE 7 H PHE 7 9.077 5.271 -19.262 59 HA PHE 7 HA PHE 7 10.636 6.901 -19.062 60 HB2 PHE 7 2HB PHE 7 9.559 7.016 -16.240 61 HB3 PHE 7 3HB PHE 7 10.622 8.224 -16.953 62 HD1 PHE 7 HD1 PHE 7 9.775 9.382 -19.102 63 HD2 PHE 7 HD2 PHE 7 7.265 7.240 -16.411 64 HE1 PHE 7 HE1 PHE 7 7.816 10.592 -19.968 65 HE2 PHE 7 HE2 PHE 7 5.304 8.443 -17.279 66 HZ PHE 7 HZ PHE 7 5.578 10.123 -19.060 67 H THR 8 H THR 8 12.315 7.646 -16.976 68 HA THR 8 HA THR 8 13.763 5.173 -16.307 69 HB THR 8 HB THR 8 14.928 7.962 -16.468 70 HG1 THR 8 HG1 THR 8 15.377 5.912 -18.386 71 HG21 THR 8 3HG2 THR 8 16.231 5.237 -16.349 72 HG22 THR 8 1HG2 THR 8 16.157 6.404 -15.028 73 HG23 THR 8 2HG2 THR 8 17.078 6.778 -16.486 74 H PHE 9 H PHE 9 13.639 4.673 -14.183 75 HA PHE 9 HA PHE 9 13.124 6.876 -12.312 76 HB2 PHE 9 2HB PHE 9 11.587 5.392 -11.061 77 HB3 PHE 9 3HB PHE 9 11.023 5.740 -12.691 78 HD1 PHE 9 HD1 PHE 9 11.041 4.005 -14.409 79 HD2 PHE 9 HD2 PHE 9 12.193 3.170 -10.400 80 HE1 PHE 9 HE1 PHE 9 10.785 1.598 -14.842 81 HE2 PHE 9 HE2 PHE 9 11.945 0.759 -10.825 82 HZ PHE 9 HZ PHE 9 11.238 -0.028 -13.050 83 H GLU 10 H GLU 10 13.952 6.710 -10.263 84 HA GLU 10 HA GLU 10 15.861 4.508 -9.816 85 HB2 GLU 10 2HB GLU 10 16.025 7.382 -8.884 86 HB3 GLU 10 3HB GLU 10 17.151 6.113 -8.431 87 HG2 GLU 10 2HG GLU 10 17.793 5.862 -10.785 88 HG3 GLU 10 3HG GLU 10 16.702 7.184 -11.208 89 H ILE 11 H ILE 11 16.081 3.747 -7.661 90 HA ILE 11 HA ILE 11 13.708 4.182 -6.013 91 HB ILE 11 HB ILE 11 15.953 2.180 -5.680 92 HG12 ILE 11 2HG1 ILE 11 13.115 1.830 -6.675 93 HG13 ILE 11 3HG1 ILE 11 14.559 1.795 -7.678 94 HG21 ILE 11 1HG2 ILE 11 14.451 1.107 -4.042 95 HG22 ILE 11 2HG2 ILE 11 13.340 2.469 -4.197 96 HG23 ILE 11 3HG2 ILE 11 14.956 2.720 -3.538 97 HD11 ILE 11 3HD1 ILE 11 13.904 -0.159 -5.487 98 HD12 ILE 11 1HD1 ILE 11 15.324 -0.205 -6.532 99 HD13 ILE 11 2HD1 ILE 11 13.716 -0.438 -7.218 100 H GLU 12 H GLU 12 13.954 6.071 -4.999 101 HA GLU 12 HA GLU 12 16.360 7.226 -4.177 102 HB2 GLU 12 2HB GLU 12 13.544 7.720 -3.214 103 HB3 GLU 12 3HB GLU 12 14.915 8.761 -2.856 104 HG2 GLU 12 2HG GLU 12 13.876 8.153 -5.614 105 HG3 GLU 12 3HG GLU 12 13.518 9.610 -4.687 106 H GLU 13 H GLU 13 14.015 5.292 -2.356 107 HA GLU 13 HA GLU 13 15.998 4.702 -0.359 108 HB2 GLU 13 2HB GLU 13 15.266 6.846 0.476 109 HB3 GLU 13 3HB GLU 13 13.580 6.382 0.322 110 HG2 GLU 13 2HG GLU 13 13.784 4.804 2.104 111 HG3 GLU 13 3HG GLU 13 15.531 5.032 2.168 112 H HIS 14 H HIS 14 15.730 2.677 0.208 113 HA HIS 14 HA HIS 14 13.221 1.299 -0.248 114 HB2 HIS 14 2HB HIS 14 15.293 0.135 -0.768 115 HB3 HIS 14 3HB HIS 14 15.883 0.376 0.871 116 HD1 HIS 14 HD1 HIS 14 13.294 -1.624 -1.065 117 HD2 HIS 14 HD2 HIS 14 15.138 -1.544 2.675 118 HE1 HIS 14 HE1 HIS 14 12.620 -3.755 0.081 119 HE2 HIS 14 HE2 HIS 14 13.714 -3.682 2.344 120 H LEU 15 H LEU 15 11.655 1.725 1.181 121 HA LEU 15 HA LEU 15 12.236 2.550 3.868 122 HB2 LEU 15 2HB LEU 15 9.624 1.980 2.469 123 HB3 LEU 15 3HB LEU 15 9.754 2.633 4.090 124 HG LEU 15 HG LEU 15 10.911 4.023 1.680 125 HD11 LEU 15 1HD1 LEU 15 8.216 4.411 2.978 126 HD12 LEU 15 2HD1 LEU 15 8.511 3.766 1.362 127 HD13 LEU 15 3HD1 LEU 15 8.920 5.443 1.731 128 HD21 LEU 15 3HD2 LEU 15 10.221 4.946 4.466 129 HD22 LEU 15 1HD2 LEU 15 10.838 5.970 3.167 130 HD23 LEU 15 2HD2 LEU 15 11.845 4.679 3.825 131 H LEU 16 H LEU 16 10.222 -0.102 2.571 132 HA LEU 16 HA LEU 16 10.902 -1.668 4.965 133 HB2 LEU 16 2HB LEU 16 8.117 -1.242 3.889 134 HB3 LEU 16 3HB LEU 16 8.541 -2.367 5.160 135 HG LEU 16 HG LEU 16 8.766 0.637 5.307 136 HD11 LEU 16 1HD1 LEU 16 6.915 -1.303 6.682 137 HD12 LEU 16 2HD1 LEU 16 6.471 -0.188 5.389 138 HD13 LEU 16 3HD1 LEU 16 6.982 0.440 6.957 139 HD21 LEU 16 3HD2 LEU 16 9.335 -1.472 7.383 140 HD22 LEU 16 1HD2 LEU 16 9.358 0.272 7.645 141 HD23 LEU 16 2HD2 LEU 16 10.537 -0.473 6.565 142 H THR 17 H THR 17 10.971 -3.854 4.696 143 HA THR 17 HA THR 17 10.378 -4.922 2.024 144 HB THR 17 HB THR 17 11.881 -6.328 4.241 145 HG1 THR 17 HG1 THR 17 13.639 -5.257 3.696 146 HG21 THR 17 3HG2 THR 17 11.838 -6.738 1.248 147 HG22 THR 17 1HG2 THR 17 10.988 -7.734 2.430 148 HG23 THR 17 2HG2 THR 17 12.753 -7.695 2.415 149 H LEU 18 H LEU 18 8.429 -5.945 1.866 150 HA LEU 18 HA LEU 18 6.989 -6.563 4.307 151 HB2 LEU 18 2HB LEU 18 6.061 -7.127 1.496 152 HB3 LEU 18 3HB LEU 18 5.080 -6.976 2.937 153 HG LEU 18 HG LEU 18 6.378 -4.815 1.316 154 HD11 LEU 18 1HD1 LEU 18 3.587 -5.257 2.344 155 HD12 LEU 18 2HD1 LEU 18 4.151 -5.523 0.694 156 HD13 LEU 18 3HD1 LEU 18 4.119 -3.892 1.364 157 HD21 LEU 18 3HD2 LEU 18 6.966 -4.332 3.639 158 HD22 LEU 18 1HD2 LEU 18 5.283 -4.538 4.120 159 HD23 LEU 18 2HD2 LEU 18 5.739 -3.203 3.063 160 H SER 19 H SER 19 7.506 -8.409 1.320 161 HA SER 19 HA SER 19 8.723 -10.639 2.466 162 HB2 SER 19 2HB SER 19 6.535 -10.870 3.665 163 HB3 SER 19 3HB SER 19 5.734 -11.030 2.104 164 HG SER 19 HG SER 19 6.194 -13.065 2.244 165 H GLU 20 H GLU 20 8.423 -12.622 0.951 166 HA GLU 20 HA GLU 20 8.227 -11.599 -1.802 167 HB2 GLU 20 2HB GLU 20 10.530 -12.206 -1.102 168 HB3 GLU 20 3HB GLU 20 9.973 -13.844 -0.774 169 HG2 GLU 20 2HG GLU 20 9.183 -13.784 -3.244 170 HG3 GLU 20 3HG GLU 20 10.332 -12.453 -3.386 171 H ASN 21 H ASN 21 6.618 -12.448 -2.942 172 HA ASN 21 HA ASN 21 5.576 -15.088 -2.133 173 HB2 ASN 21 2HB ASN 21 3.374 -14.370 -2.953 174 HB3 ASN 21 3HB ASN 21 3.957 -13.301 -1.682 175 HD21 ASN 21 1HD2 ASN 21 3.116 -13.587 -5.023 176 HD22 ASN 21 2HD2 ASN 21 3.260 -11.908 -5.414 177 H GLU 22 H GLU 22 4.393 -16.195 -3.963 178 HA GLU 22 HA GLU 22 4.396 -17.208 -5.985 179 HB2 GLU 22 2HB GLU 22 3.713 -14.780 -6.527 180 HB3 GLU 22 3HB GLU 22 5.335 -14.617 -7.188 181 HG2 GLU 22 2HG GLU 22 3.837 -15.120 -8.966 182 HG3 GLU 22 3HG GLU 22 4.859 -16.531 -8.682 183 H LYS 23 H LYS 23 7.018 -16.823 -4.426 184 HA LYS 23 HA LYS 23 9.226 -17.274 -4.588 185 HB2 LYS 23 2HB LYS 23 8.315 -18.736 -7.068 186 HB3 LYS 23 3HB LYS 23 9.947 -18.831 -6.420 187 HG2 LYS 23 2HG LYS 23 9.095 -19.793 -4.359 188 HG3 LYS 23 3HG LYS 23 7.441 -19.656 -4.965 189 HD2 LYS 23 2HD LYS 23 9.639 -21.286 -6.245 190 HD3 LYS 23 3HD LYS 23 8.356 -21.937 -5.222 191 HE2 LYS 23 2HE LYS 23 7.923 -20.452 -7.813 192 HE3 LYS 23 3HE LYS 23 7.905 -22.207 -7.637 193 HZ1 LYS 23 3HZ LYS 23 5.675 -21.146 -7.612 194 HZ2 LYS 23 1HZ LYS 23 6.088 -20.381 -6.159 195 HZ3 LYS 23 2HZ LYS 23 6.007 -22.072 -6.228 196 H GLY 24 H GLY 24 10.126 -15.302 -4.817 197 HA2 GLY 24 2HA GLY 24 11.794 -14.152 -6.103 198 HA3 GLY 24 3HA GLY 24 10.923 -14.595 -7.563 199 H TRP 25 H TRP 25 8.309 -13.843 -6.497 200 HA TRP 25 HA TRP 25 8.465 -11.075 -7.259 201 HB2 TRP 25 2HB TRP 25 6.123 -12.804 -6.445 202 HB3 TRP 25 3HB TRP 25 5.973 -11.117 -6.926 203 HD1 TRP 25 HD1 TRP 25 7.442 -14.375 -8.464 204 HE1 TRP 25 HE1 TRP 25 6.926 -14.350 -10.984 205 HE3 TRP 25 HE3 TRP 25 5.121 -9.829 -8.768 206 HZ2 TRP 25 HZ2 TRP 25 5.690 -12.635 -12.850 207 HZ3 TRP 25 HZ3 TRP 25 4.294 -9.072 -10.958 208 HH2 TRP 25 HH2 TRP 25 4.576 -10.451 -12.957 209 H THR 26 H THR 26 9.390 -9.829 -5.762 210 HA THR 26 HA THR 26 8.723 -10.248 -2.947 211 HB THR 26 HB THR 26 10.778 -8.336 -4.068 212 HG1 THR 26 HG1 THR 26 10.942 -10.717 -4.659 213 HG21 THR 26 3HG2 THR 26 10.528 -9.732 -1.395 214 HG22 THR 26 1HG2 THR 26 10.207 -8.026 -1.708 215 HG23 THR 26 2HG2 THR 26 11.843 -8.659 -1.874 216 H LYS 27 H LYS 27 7.626 -8.799 -1.735 217 HA LYS 27 HA LYS 27 6.755 -6.322 -3.059 218 HB2 LYS 27 2HB LYS 27 5.476 -7.912 -0.836 219 HB3 LYS 27 3HB LYS 27 4.986 -6.272 -1.243 220 HG2 LYS 27 2HG LYS 27 4.622 -7.114 -3.587 221 HG3 LYS 27 3HG LYS 27 4.784 -8.738 -2.924 222 HD2 LYS 27 2HD LYS 27 2.753 -6.661 -2.125 223 HD3 LYS 27 3HD LYS 27 2.445 -8.112 -3.078 224 HE2 LYS 27 2HE LYS 27 3.451 -8.083 -0.240 225 HE3 LYS 27 3HE LYS 27 1.775 -8.348 -0.717 226 HZ1 LYS 27 3HZ LYS 27 2.295 -10.383 -1.665 227 HZ2 LYS 27 1HZ LYS 27 3.221 -10.368 -0.247 228 HZ3 LYS 27 2HZ LYS 27 3.950 -10.060 -1.750 229 H GLU 28 H GLU 28 7.529 -4.512 -2.388 230 HA GLU 28 HA GLU 28 8.390 -4.217 0.388 231 HB2 GLU 28 2HB GLU 28 10.473 -3.147 -0.279 232 HB3 GLU 28 3HB GLU 28 10.405 -4.786 -0.912 233 HG2 GLU 28 2HG GLU 28 9.808 -3.945 -3.105 234 HG3 GLU 28 3HG GLU 28 9.791 -2.296 -2.486 235 H ILE 29 H ILE 29 8.892 -1.878 0.825 236 HA ILE 29 HA ILE 29 7.165 -0.101 -0.774 237 HB ILE 29 HB ILE 29 7.667 0.044 2.216 238 HG12 ILE 29 2HG1 ILE 29 5.156 -0.656 0.672 239 HG13 ILE 29 3HG1 ILE 29 6.164 -1.803 1.545 240 HG21 ILE 29 1HG2 ILE 29 7.418 2.253 1.226 241 HG22 ILE 29 2HG2 ILE 29 5.988 1.848 2.173 242 HG23 ILE 29 3HG2 ILE 29 5.936 1.746 0.414 243 HD11 ILE 29 3HD1 ILE 29 4.590 0.462 2.742 244 HD12 ILE 29 1HD1 ILE 29 5.643 -0.636 3.637 245 HD13 ILE 29 2HD1 ILE 29 4.203 -1.256 2.828 246 H ASN 30 H ASN 30 8.309 1.454 -1.758 247 HA ASN 30 HA ASN 30 10.684 2.527 -0.447 248 HB2 ASN 30 2HB ASN 30 12.105 2.143 -2.421 249 HB3 ASN 30 3HB ASN 30 11.553 0.627 -1.715 250 HD21 ASN 30 1HD2 ASN 30 11.395 2.738 -4.458 251 HD22 ASN 30 2HD2 ASN 30 10.527 1.657 -5.490 252 H ARG 31 H ARG 31 11.617 4.364 -1.647 253 HA ARG 31 HA ARG 31 9.546 6.016 -2.848 254 HB2 ARG 31 2HB ARG 31 12.431 6.553 -2.139 255 HB3 ARG 31 3HB ARG 31 11.405 7.727 -2.944 256 HG2 ARG 31 2HG ARG 31 9.878 7.662 -1.000 257 HG3 ARG 31 3HG ARG 31 11.017 6.580 -0.189 258 HD2 ARG 31 2HD ARG 31 12.736 8.256 -0.244 259 HD3 ARG 31 3HD ARG 31 11.738 9.312 -1.239 260 HE ARG 31 HE ARG 31 10.879 8.585 1.483 261 HH11 ARG 31 1HH1 ARG 31 11.926 11.000 -0.830 262 HH12 ARG 31 2HH1 ARG 31 11.405 12.345 0.144 263 HH21 ARG 31 1HH2 ARG 31 10.229 10.347 2.769 264 HH22 ARG 31 2HH2 ARG 31 10.454 11.967 2.192 265 H VAL 32 H VAL 32 9.470 6.647 -4.962 266 HA VAL 32 HA VAL 32 11.611 5.662 -6.734 267 HB VAL 32 HB VAL 32 8.652 5.714 -7.371 268 HG11 VAL 32 1HG1 VAL 32 10.050 6.234 -9.318 269 HG12 VAL 32 2HG1 VAL 32 9.271 4.661 -9.480 270 HG13 VAL 32 3HG1 VAL 32 10.976 4.759 -9.040 271 HG21 VAL 32 3HG2 VAL 32 8.840 3.278 -7.493 272 HG22 VAL 32 1HG2 VAL 32 9.229 3.879 -5.879 273 HG23 VAL 32 2HG2 VAL 32 10.523 3.385 -6.973 274 H SER 33 H SER 33 12.449 7.136 -8.082 275 HA SER 33 HA SER 33 11.076 9.734 -8.317 276 HB2 SER 33 2HB SER 33 13.396 10.597 -8.876 277 HB3 SER 33 3HB SER 33 13.185 10.036 -7.216 278 HG SER 33 HG SER 33 14.948 8.953 -7.738 279 H PHE 34 H PHE 34 10.288 10.205 -10.287 280 HA PHE 34 HA PHE 34 11.162 8.573 -12.547 281 HB2 PHE 34 2HB PHE 34 8.739 10.313 -12.118 282 HB3 PHE 34 3HB PHE 34 9.150 9.633 -13.689 283 HD1 PHE 34 HD1 PHE 34 9.135 7.194 -14.020 284 HD2 PHE 34 HD2 PHE 34 7.761 8.973 -10.408 285 HE1 PHE 34 HE1 PHE 34 7.968 5.106 -13.441 286 HE2 PHE 34 HE2 PHE 34 6.597 6.885 -9.816 287 HZ PHE 34 HZ PHE 34 6.701 4.951 -11.336 288 H ASN 35 H ASN 35 12.759 9.332 -13.688 289 HA ASN 35 HA ASN 35 13.923 10.596 -15.144 290 HB2 ASN 35 2HB ASN 35 11.671 12.603 -14.960 291 HB3 ASN 35 3HB ASN 35 12.946 12.584 -16.174 292 HD21 ASN 35 1HD2 ASN 35 9.892 11.404 -15.266 293 HD22 ASN 35 2HD2 ASN 35 9.654 10.326 -16.597 294 H GLY 36 H GLY 36 12.446 12.935 -12.882 295 HA2 GLY 36 2HA GLY 36 15.083 14.139 -12.471 296 HA3 GLY 36 3HA GLY 36 13.552 14.762 -11.874 297 H ALA 37 H ALA 37 13.633 14.810 -9.711 298 HA ALA 37 HA ALA 37 14.297 12.274 -8.384 299 HB1 ALA 37 3HB ALA 37 15.494 13.429 -6.619 300 HB2 ALA 37 1HB ALA 37 15.222 14.975 -7.417 301 HB3 ALA 37 2HB ALA 37 16.239 13.756 -8.184 302 HA PRO 38 HA PRO 38 10.501 14.315 -6.478 303 HB2 PRO 38 2HB PRO 38 8.536 13.183 -8.175 304 HB3 PRO 38 3HB PRO 38 9.017 14.879 -8.102 305 HG2 PRO 38 2HG PRO 38 9.417 13.158 -10.264 306 HG3 PRO 38 3HG PRO 38 10.227 14.714 -10.014 307 HD2 PRO 38 2HD PRO 38 11.208 11.949 -9.460 308 HD3 PRO 38 3HD PRO 38 12.101 13.374 -10.036 309 H ALA 39 H ALA 39 10.955 12.858 -4.836 310 HA ALA 39 HA ALA 39 10.624 10.031 -5.252 311 HB1 ALA 39 3HB ALA 39 11.484 9.789 -2.999 312 HB2 ALA 39 1HB ALA 39 11.332 11.528 -2.734 313 HB3 ALA 39 2HB ALA 39 12.482 10.911 -3.922 314 H LYS 40 H LYS 40 8.485 9.541 -5.508 315 HA LYS 40 HA LYS 40 6.763 10.093 -3.197 316 HB2 LYS 40 2HB LYS 40 6.109 9.093 -5.972 317 HB3 LYS 40 3HB LYS 40 4.947 9.062 -4.653 318 HG2 LYS 40 2HG LYS 40 5.489 11.593 -4.452 319 HG3 LYS 40 3HG LYS 40 6.116 11.406 -6.092 320 HD2 LYS 40 2HD LYS 40 3.967 10.580 -6.852 321 HD3 LYS 40 3HD LYS 40 3.328 10.653 -5.206 322 HE2 LYS 40 2HE LYS 40 3.854 13.121 -5.247 323 HE3 LYS 40 3HE LYS 40 4.165 12.944 -6.972 324 HZ1 LYS 40 3HZ LYS 40 1.595 12.331 -5.607 325 HZ2 LYS 40 1HZ LYS 40 1.889 12.180 -7.273 326 HZ3 LYS 40 2HZ LYS 40 1.916 13.709 -6.540 327 H PHE 41 H PHE 41 5.212 8.068 -2.831 328 HA PHE 41 HA PHE 41 7.111 5.953 -2.123 329 HB2 PHE 41 2HB PHE 41 4.361 6.504 -0.994 330 HB3 PHE 41 3HB PHE 41 5.535 5.348 -0.373 331 HD1 PHE 41 HD1 PHE 41 7.689 6.207 0.593 332 HD2 PHE 41 HD2 PHE 41 4.417 8.757 -0.351 333 HE1 PHE 41 HE1 PHE 41 8.637 7.952 2.043 334 HE2 PHE 41 HE2 PHE 41 5.356 10.508 1.102 335 HZ PHE 41 HZ PHE 41 7.470 10.104 2.299 336 H ASP 42 H ASP 42 6.996 4.030 -3.069 337 HA ASP 42 HA ASP 42 4.481 3.303 -4.424 338 HB2 ASP 42 2HB ASP 42 6.309 3.962 -6.013 339 HB3 ASP 42 3HB ASP 42 7.268 2.628 -5.386 340 H ILE 43 H ILE 43 3.632 1.491 -3.714 341 HA ILE 43 HA ILE 43 5.314 -0.438 -2.275 342 HB ILE 43 HB ILE 43 2.296 -0.402 -2.559 343 HG12 ILE 43 2HG1 ILE 43 3.992 0.470 -0.208 344 HG13 ILE 43 3HG1 ILE 43 3.191 1.568 -1.328 345 HG21 ILE 43 1HG2 ILE 43 3.214 -2.618 -2.107 346 HG22 ILE 43 2HG2 ILE 43 2.330 -2.006 -0.711 347 HG23 ILE 43 3HG2 ILE 43 4.093 -1.980 -0.717 348 HD11 ILE 43 3HD1 ILE 43 1.834 -0.398 0.503 349 HD12 ILE 43 1HD1 ILE 43 1.022 0.683 -0.630 350 HD13 ILE 43 2HD1 ILE 43 1.930 1.349 0.727 351 H ARG 44 H ARG 44 6.230 -1.872 -3.612 352 HA ARG 44 HA ARG 44 4.778 -2.535 -6.088 353 HB2 ARG 44 2HB ARG 44 6.746 -1.000 -6.332 354 HB3 ARG 44 3HB ARG 44 7.768 -2.309 -5.757 355 HG2 ARG 44 2HG ARG 44 7.837 -2.157 -8.174 356 HG3 ARG 44 3HG ARG 44 7.095 -3.676 -7.669 357 HD2 ARG 44 2HD ARG 44 5.878 -2.637 -9.532 358 HD3 ARG 44 3HD ARG 44 4.882 -2.765 -8.082 359 HE ARG 44 HE ARG 44 5.585 -0.319 -7.724 360 HH11 ARG 44 1HH1 ARG 44 5.122 -1.822 -10.861 361 HH12 ARG 44 2HH1 ARG 44 4.710 -0.331 -11.655 362 HH21 ARG 44 1HH2 ARG 44 4.979 1.628 -8.746 363 HH22 ARG 44 2HH2 ARG 44 4.610 1.615 -10.451 364 H ALA 45 H ALA 45 4.692 -4.583 -6.768 365 HA ALA 45 HA ALA 45 6.264 -6.621 -5.336 366 HB1 ALA 45 3HB ALA 45 3.759 -6.957 -6.997 367 HB2 ALA 45 1HB ALA 45 3.836 -6.973 -5.234 368 HB3 ALA 45 2HB ALA 45 4.630 -8.246 -6.163 369 H TRP 46 H TRP 46 8.115 -6.970 -6.444 370 HA TRP 46 HA TRP 46 7.958 -6.823 -9.376 371 HB2 TRP 46 2HB TRP 46 10.444 -6.416 -9.288 372 HB3 TRP 46 3HB TRP 46 9.439 -5.132 -8.632 373 HD1 TRP 46 HD1 TRP 46 9.649 -4.608 -6.042 374 HE1 TRP 46 HE1 TRP 46 11.412 -5.237 -4.270 375 HE3 TRP 46 HE3 TRP 46 12.024 -8.371 -8.562 376 HZ2 TRP 46 HZ2 TRP 46 13.508 -7.091 -3.980 377 HZ3 TRP 46 HZ3 TRP 46 13.899 -9.520 -7.462 378 HH2 TRP 46 HH2 TRP 46 14.626 -8.891 -5.218 379 H SER 47 H SER 47 8.808 -8.365 -10.654 380 HA SER 47 HA SER 47 9.022 -11.000 -9.563 381 HB2 SER 47 2HB SER 47 9.557 -11.508 -12.045 382 HB3 SER 47 3HB SER 47 7.954 -10.877 -11.664 383 HG SER 47 HG SER 47 10.180 -9.485 -12.742 384 HA PRO 48 HA PRO 48 13.310 -11.565 -8.891 385 HB2 PRO 48 2HB PRO 48 13.912 -13.693 -10.596 386 HB3 PRO 48 3HB PRO 48 13.309 -13.827 -8.943 387 HG2 PRO 48 2HG PRO 48 11.824 -14.000 -11.523 388 HG3 PRO 48 3HG PRO 48 11.572 -14.901 -10.017 389 HD2 PRO 48 2HD PRO 48 9.954 -12.891 -10.725 390 HD3 PRO 48 3HD PRO 48 10.404 -13.159 -9.027 391 H ASP 49 H ASP 49 12.339 -11.505 -12.283 392 HA ASP 49 HA ASP 49 14.800 -9.996 -12.852 393 HB2 ASP 49 2HB ASP 49 14.765 -12.212 -14.006 394 HB3 ASP 49 3HB ASP 49 13.291 -11.717 -14.835 395 H HIS 50 H HIS 50 14.565 -8.227 -14.315 396 HA HIS 50 HA HIS 50 12.002 -6.943 -13.852 397 HB2 HIS 50 2HB HIS 50 13.140 -4.854 -14.457 398 HB3 HIS 50 3HB HIS 50 14.003 -5.722 -13.193 399 HD1 HIS 50 HD1 HIS 50 14.571 -3.968 -16.261 400 HD2 HIS 50 HD2 HIS 50 16.294 -7.256 -14.379 401 HE1 HIS 50 HE1 HIS 50 16.846 -4.238 -17.301 402 HE2 HIS 50 HE2 HIS 50 17.938 -6.100 -15.998 403 H THR 51 H THR 51 12.759 -8.922 -16.184 404 HA THR 51 HA THR 51 12.075 -7.313 -18.478 405 HB THR 51 HB THR 51 11.808 -9.630 -19.577 406 HG1 THR 51 HG1 THR 51 13.342 -10.509 -17.356 407 HG21 THR 51 3HG2 THR 51 14.223 -9.874 -19.823 408 HG22 THR 51 1HG2 THR 51 14.482 -8.835 -18.422 409 HG23 THR 51 2HG2 THR 51 13.760 -8.174 -19.888 410 H LYS 52 H LYS 52 10.307 -8.651 -15.963 411 HA LYS 52 HA LYS 52 7.893 -8.876 -17.626 412 HB2 LYS 52 2HB LYS 52 8.560 -10.061 -14.937 413 HB3 LYS 52 3HB LYS 52 6.931 -10.053 -15.594 414 HG2 LYS 52 2HG LYS 52 7.700 -11.347 -17.515 415 HG3 LYS 52 3HG LYS 52 9.334 -11.359 -16.849 416 HD2 LYS 52 2HD LYS 52 8.223 -13.449 -16.341 417 HD3 LYS 52 3HD LYS 52 8.487 -12.534 -14.858 418 HE2 LYS 52 2HE LYS 52 6.166 -11.776 -14.901 419 HE3 LYS 52 3HE LYS 52 5.899 -12.659 -16.403 420 HZ1 LYS 52 3HZ LYS 52 5.129 -13.819 -14.349 421 HZ2 LYS 52 1HZ LYS 52 6.752 -13.958 -13.873 422 HZ3 LYS 52 2HZ LYS 52 6.216 -14.718 -15.289 423 H MET 53 H MET 53 5.863 -8.421 -16.195 424 HA MET 53 HA MET 53 6.123 -5.672 -15.264 425 HB2 MET 53 2HB MET 53 3.569 -7.259 -15.579 426 HB3 MET 53 3HB MET 53 3.740 -5.515 -15.487 427 HG2 MET 53 2HG MET 53 3.297 -5.959 -17.735 428 HG3 MET 53 3HG MET 53 5.035 -5.678 -17.667 429 HE1 MET 53 3HE MET 53 5.309 -6.816 -20.085 430 HE2 MET 53 1HE MET 53 3.562 -7.045 -20.121 431 HE3 MET 53 2HE MET 53 4.637 -8.397 -20.484 432 H GLY 54 H GLY 54 4.672 -5.099 -13.349 433 HA2 GLY 54 2HA GLY 54 4.135 -7.166 -11.425 434 HA3 GLY 54 3HA GLY 54 5.526 -6.175 -11.000 435 H LYS 55 H LYS 55 2.431 -6.511 -10.245 436 HA LYS 55 HA LYS 55 1.500 -3.833 -10.680 437 HB2 LYS 55 2HB LYS 55 -0.528 -4.477 -9.568 438 HB3 LYS 55 3HB LYS 55 -0.064 -5.743 -10.692 439 HG2 LYS 55 2HG LYS 55 0.719 -7.122 -8.868 440 HG3 LYS 55 3HG LYS 55 0.394 -5.824 -7.712 441 HD2 LYS 55 2HD LYS 55 -2.012 -5.910 -8.459 442 HD3 LYS 55 3HD LYS 55 -1.605 -7.370 -9.363 443 HE2 LYS 55 2HE LYS 55 -0.988 -8.510 -7.337 444 HE3 LYS 55 3HE LYS 55 -1.198 -7.035 -6.393 445 HZ1 LYS 55 3HZ LYS 55 -3.581 -7.080 -7.038 446 HZ2 LYS 55 1HZ LYS 55 -3.114 -8.412 -6.102 447 HZ3 LYS 55 2HZ LYS 55 -3.331 -8.588 -7.773 448 H GLY 56 H GLY 56 1.021 -2.291 -9.146 449 HA2 GLY 56 2HA GLY 56 1.789 -2.574 -6.403 450 HA3 GLY 56 3HA GLY 56 2.925 -1.603 -7.338 451 H ILE 57 H ILE 57 2.059 -0.015 -5.624 452 HA ILE 57 HA ILE 57 -0.074 1.493 -6.932 453 HB ILE 57 HB ILE 57 -1.172 0.211 -5.142 454 HG12 ILE 57 2HG1 ILE 57 -2.250 2.141 -4.001 455 HG13 ILE 57 3HG1 ILE 57 -0.993 3.191 -4.652 456 HG21 ILE 57 1HG2 ILE 57 0.650 -0.044 -3.586 457 HG22 ILE 57 2HG2 ILE 57 -0.709 0.743 -2.784 458 HG23 ILE 57 3HG2 ILE 57 0.687 1.694 -3.292 459 HD11 ILE 57 3HD1 ILE 57 -3.006 3.357 -5.971 460 HD12 ILE 57 1HD1 ILE 57 -3.001 1.614 -6.245 461 HD13 ILE 57 2HD1 ILE 57 -1.721 2.619 -6.923 462 H THR 58 H THR 58 0.409 3.554 -7.144 463 HA THR 58 HA THR 58 2.766 4.629 -5.833 464 HB THR 58 HB THR 58 2.192 6.631 -7.368 465 HG1 THR 58 HG1 THR 58 0.914 5.917 -9.215 466 HG21 THR 58 3HG2 THR 58 2.915 3.967 -8.594 467 HG22 THR 58 1HG2 THR 58 4.035 5.081 -7.808 468 HG23 THR 58 2HG2 THR 58 3.229 5.547 -9.305 469 H LEU 59 H LEU 59 2.595 5.747 -3.998 470 HA LEU 59 HA LEU 59 0.075 7.190 -3.477 471 HB2 LEU 59 2HB LEU 59 1.865 5.779 -1.498 472 HB3 LEU 59 3HB LEU 59 0.487 6.771 -1.066 473 HG LEU 59 HG LEU 59 0.369 4.200 -2.649 474 HD11 LEU 59 1HD1 LEU 59 -0.449 4.830 0.183 475 HD12 LEU 59 2HD1 LEU 59 0.914 3.825 -0.308 476 HD13 LEU 59 3HD1 LEU 59 -0.735 3.306 -0.654 477 HD21 LEU 59 3HD2 LEU 59 -1.375 5.787 -3.302 478 HD22 LEU 59 1HD2 LEU 59 -1.841 5.971 -1.611 479 HD23 LEU 59 2HD2 LEU 59 -2.050 4.417 -2.419 480 H SER 60 H SER 60 0.215 9.262 -2.969 481 HA SER 60 HA SER 60 2.806 10.552 -2.920 482 HB2 SER 60 2HB SER 60 0.074 11.784 -2.490 483 HB3 SER 60 3HB SER 60 1.553 12.604 -2.999 484 HG SER 60 HG SER 60 -0.070 10.795 -4.446 485 H ASN 61 H ASN 61 3.224 12.228 -1.146 486 HA ASN 61 HA ASN 61 3.433 10.982 1.336 487 HB2 ASN 61 2HB ASN 61 4.057 13.182 2.248 488 HB3 ASN 61 3HB ASN 61 4.860 12.872 0.715 489 HD21 ASN 61 1HD2 ASN 61 4.156 15.389 2.172 490 HD22 ASN 61 2HD2 ASN 61 3.292 16.338 1.011 491 H GLU 62 H GLU 62 0.982 13.136 0.094 492 HA GLU 62 HA GLU 62 -0.521 13.573 2.403 493 HB2 GLU 62 2HB GLU 62 -0.864 14.813 0.351 494 HB3 GLU 62 3HB GLU 62 -1.344 13.351 -0.496 495 HG2 GLU 62 2HG GLU 62 -3.347 13.196 0.869 496 HG3 GLU 62 3HG GLU 62 -2.856 14.634 1.769 497 H GLU 63 H GLU 63 -0.949 11.105 -0.118 498 HA GLU 63 HA GLU 63 -3.105 9.773 1.141 499 HB2 GLU 63 2HB GLU 63 -1.164 8.669 -0.899 500 HB3 GLU 63 3HB GLU 63 -2.791 8.086 -0.568 501 HG2 GLU 63 2HG GLU 63 -3.771 10.050 -1.473 502 HG3 GLU 63 3HG GLU 63 -2.207 10.854 -1.580 503 H PHE 64 H PHE 64 0.369 9.306 1.118 504 HA PHE 64 HA PHE 64 0.497 6.790 2.331 505 HB2 PHE 64 2HB PHE 64 2.309 8.378 1.203 506 HB3 PHE 64 3HB PHE 64 2.614 8.823 2.877 507 HD1 PHE 64 HD2 PHE 64 2.117 5.734 0.846 508 HD2 PHE 64 HD1 PHE 64 4.276 7.663 3.969 509 HE1 PHE 64 HE2 PHE 64 3.550 3.748 1.082 510 HE2 PHE 64 HE1 PHE 64 5.708 5.681 4.206 511 HZ PHE 64 HZ PHE 64 5.349 3.723 2.759 512 H GLN 65 H GLN 65 0.850 10.029 3.813 513 HA GLN 65 HA GLN 65 1.109 9.162 6.464 514 HB2 GLN 65 2HB GLN 65 1.608 11.460 5.716 515 HB3 GLN 65 3HB GLN 65 -0.106 11.742 5.450 516 HG2 GLN 65 2HG GLN 65 0.370 12.736 7.511 517 HG3 GLN 65 3HG GLN 65 -0.433 11.218 7.906 518 HE21 GLN 65 1HE2 GLN 65 0.434 10.972 9.918 519 HE22 GLN 65 2HE2 GLN 65 2.118 10.694 10.198 520 H THR 66 H THR 66 -1.733 9.852 4.513 521 HA THR 66 HA THR 66 -3.686 9.909 6.481 522 HB THR 66 HB THR 66 -3.895 8.908 3.636 523 HG1 THR 66 HG1 THR 66 -3.326 11.055 3.620 524 HG21 THR 66 3HG2 THR 66 -5.787 8.119 4.987 525 HG22 THR 66 1HG2 THR 66 -6.293 9.345 3.825 526 HG23 THR 66 2HG2 THR 66 -6.091 9.772 5.524 527 H MET 67 H MET 67 -2.521 7.078 4.618 528 HA MET 67 HA MET 67 -4.223 5.250 5.966 529 HB2 MET 67 2HB MET 67 -3.054 3.510 4.864 530 HB3 MET 67 3HB MET 67 -3.081 4.857 3.736 531 HG2 MET 67 2HG MET 67 -0.795 5.404 4.265 532 HG3 MET 67 3HG MET 67 -0.754 4.158 5.510 533 HE1 MET 67 3HE MET 67 1.518 4.269 3.490 534 HE2 MET 67 1HE MET 67 1.643 2.602 2.924 535 HE3 MET 67 2HE MET 67 1.350 2.935 4.631 536 H VAL 68 H VAL 68 -0.989 6.449 6.569 537 HA VAL 68 HA VAL 68 -0.132 4.530 8.407 538 HB VAL 68 HB VAL 68 0.610 7.445 8.150 539 HG11 VAL 68 1HG1 VAL 68 1.983 5.302 9.767 540 HG12 VAL 68 2HG1 VAL 68 1.080 6.668 10.422 541 HG13 VAL 68 3HG1 VAL 68 2.566 6.947 9.512 542 HG21 VAL 68 3HG2 VAL 68 2.663 6.484 7.126 543 HG22 VAL 68 1HG2 VAL 68 1.192 6.157 6.209 544 HG23 VAL 68 2HG2 VAL 68 1.908 4.894 7.209 545 H ASP 69 H ASP 69 -1.716 7.671 9.002 546 HA ASP 69 HA ASP 69 -1.836 7.404 11.802 547 HB2 ASP 69 2HB ASP 69 -3.152 9.133 9.782 548 HB3 ASP 69 3HB ASP 69 -3.928 9.019 11.359 549 H ALA 70 H ALA 70 -4.168 6.538 9.283 550 HA ALA 70 HA ALA 70 -6.254 5.750 10.975 551 HB1 ALA 70 3HB ALA 70 -5.546 4.680 8.249 552 HB2 ALA 70 1HB ALA 70 -6.562 6.079 8.590 553 HB3 ALA 70 2HB ALA 70 -7.093 4.467 9.070 554 H PHE 71 H PHE 71 -3.461 3.959 9.755 555 HA PHE 71 HA PHE 71 -4.401 1.484 10.883 556 HB2 PHE 71 2HB PHE 71 -1.778 2.190 9.564 557 HB3 PHE 71 3HB PHE 71 -2.230 0.570 10.086 558 HD1 PHE 71 HD1 PHE 71 -5.153 0.729 9.291 559 HD2 PHE 71 HD2 PHE 71 -1.570 1.786 7.254 560 HE1 PHE 71 HE1 PHE 71 -6.271 0.343 7.135 561 HE2 PHE 71 HE2 PHE 71 -2.686 1.408 5.095 562 HZ PHE 71 HZ PHE 71 -5.037 0.686 5.034 563 H LYS 72 H LYS 72 -2.037 3.957 11.795 564 HA LYS 72 HA LYS 72 -0.776 2.472 13.847 565 HB2 LYS 72 2HB LYS 72 0.120 4.552 14.650 566 HB3 LYS 72 3HB LYS 72 0.114 4.615 12.894 567 HG2 LYS 72 2HG LYS 72 -1.882 6.000 12.932 568 HG3 LYS 72 3HG LYS 72 -1.938 5.896 14.689 569 HD2 LYS 72 2HD LYS 72 -0.989 8.026 13.941 570 HD3 LYS 72 3HD LYS 72 0.193 7.075 14.842 571 HE2 LYS 72 2HE LYS 72 1.434 6.585 12.952 572 HE3 LYS 72 3HE LYS 72 0.079 6.882 11.863 573 HZ1 LYS 72 3HZ LYS 72 1.273 9.080 13.444 574 HZ2 LYS 72 1HZ LYS 72 0.345 9.171 12.025 575 HZ3 LYS 72 2HZ LYS 72 1.942 8.602 11.964 576 H GLY 73 H GLY 73 -3.802 4.150 13.684 577 HA2 GLY 73 2HA GLY 73 -4.145 3.871 16.596 578 HA3 GLY 73 3HA GLY 73 -5.147 4.849 15.535 579 H ASN 74 H ASN 74 -4.499 1.752 14.264 580 HA ASN 74 HA ASN 74 -7.054 0.743 15.310 581 HB2 ASN 74 2HB ASN 74 -6.420 1.442 12.534 582 HB3 ASN 74 3HB ASN 74 -7.085 -0.174 12.722 583 HD21 ASN 74 1HD2 ASN 74 -7.903 2.416 14.901 584 HD22 ASN 74 2HD2 ASN 74 -9.537 2.611 14.363 585 H LEU 75 H LEU 75 -4.307 -0.214 13.221 586 HA LEU 75 HA LEU 75 -4.857 -2.995 13.915 587 HB2 LEU 75 2HB LEU 75 -4.488 -2.181 11.540 588 HB3 LEU 75 3HB LEU 75 -2.805 -1.955 11.970 589 HG LEU 75 HG LEU 75 -2.681 -4.389 12.520 590 HD11 LEU 75 1HD1 LEU 75 -4.434 -5.863 11.707 591 HD12 LEU 75 2HD1 LEU 75 -5.399 -4.469 11.220 592 HD13 LEU 75 3HD1 LEU 75 -5.066 -4.758 12.927 593 HD21 LEU 75 3HD2 LEU 75 -3.505 -3.684 9.711 594 HD22 LEU 75 1HD2 LEU 75 -2.624 -5.133 10.194 595 HD23 LEU 75 2HD2 LEU 75 -1.883 -3.544 10.390 596 H GLU 76 H GLU 76 -2.998 -4.447 14.330 597 HA GLU 76 HA GLU 76 -1.137 -5.120 15.439 598 HB2 GLU 76 2HB GLU 76 -0.169 -2.943 14.271 599 HB3 GLU 76 3HB GLU 76 -0.174 -2.326 15.914 600 HG2 GLU 76 2HG GLU 76 1.140 -4.927 15.213 601 HG3 GLU 76 3HG GLU 76 1.969 -3.383 15.029 602 H HIS 77 H HIS 77 -1.619 -1.969 17.020 603 HA HIS 77 HA HIS 77 -3.551 -2.875 18.829 604 HB2 HIS 77 2HB HIS 77 -2.426 -3.088 20.889 605 HB3 HIS 77 3HB HIS 77 -1.474 -4.042 19.765 606 HD1 HIS 77 HD1 HIS 77 -1.370 -0.766 21.655 607 HD2 HIS 77 HD2 HIS 77 1.153 -3.287 19.512 608 HE1 HIS 77 HE1 HIS 77 0.962 0.076 22.088 609 HE2 HIS 77 HE2 HIS 77 2.475 -1.571 20.927 610 H HIS 78 H HIS 78 -4.290 -1.192 20.189 611 HA HIS 78 HA HIS 78 -3.618 1.434 19.120 612 HB2 HIS 78 2HB HIS 78 -6.005 0.603 19.482 613 HB3 HIS 78 3HB HIS 78 -5.707 0.759 21.207 614 HD1 HIS 78 HD1 HIS 78 -6.395 2.755 18.135 615 HD2 HIS 78 HD2 HIS 78 -5.609 3.410 22.168 616 HE1 HIS 78 HE1 HIS 78 -6.963 5.166 18.555 617 HE2 HIS 78 HE2 HIS 78 -6.391 5.571 20.977 618 H HIS 79 H HIS 79 -3.071 3.221 20.535 619 HA HIS 79 HA HIS 79 -1.164 2.739 22.489 620 HB2 HIS 79 2HB HIS 79 -1.397 4.937 21.491 621 HB3 HIS 79 3HB HIS 79 -3.000 5.130 22.191 622 HD1 HIS 79 HD1 HIS 79 -2.975 6.637 24.135 623 HD2 HIS 79 HD2 HIS 79 0.572 4.487 23.825 624 HE1 HIS 79 HE1 HIS 79 -1.551 7.382 26.072 625 HE2 HIS 79 HE2 HIS 79 0.519 5.954 25.956 626 H HIS 80 H HIS 80 -1.167 2.321 24.601 627 HA HIS 80 HA HIS 80 -3.396 1.150 25.828 628 HB2 HIS 80 2HB HIS 80 -0.801 2.192 26.967 629 HB3 HIS 80 3HB HIS 80 -2.007 1.369 27.949 630 HD1 HIS 80 HD1 HIS 80 -1.255 -0.934 28.364 631 HD2 HIS 80 HD2 HIS 80 -0.330 0.308 24.503 632 HE1 HIS 80 HE1 HIS 80 -0.156 -2.905 27.257 633 HE2 HIS 80 HE2 HIS 80 0.543 -2.081 24.982 634 H HIS 81 H HIS 81 -4.896 1.860 27.269 635 HA HIS 81 HA HIS 81 -5.443 4.681 27.320 636 HB2 HIS 81 2HB HIS 81 -6.789 2.413 28.812 637 HB3 HIS 81 3HB HIS 81 -7.387 4.063 28.719 638 HD1 HIS 81 HD1 HIS 81 -8.490 1.132 27.547 639 HD2 HIS 81 HD2 HIS 81 -7.216 4.522 25.499 640 HE1 HIS 81 HE1 HIS 81 -9.578 1.011 25.281 641 HE2 HIS 81 HE2 HIS 81 -8.607 2.943 23.990 642 H HIS 82 H HIS 82 -4.241 2.261 29.545 643 HA HIS 82 HA HIS 82 -3.467 4.415 31.388 644 HB2 HIS 82 2HB HIS 82 -5.376 3.189 32.346 645 HB3 HIS 82 3HB HIS 82 -4.499 1.673 32.162 646 HD1 HIS 82 HD1 HIS 82 -2.671 1.145 33.873 647 HD2 HIS 82 HD2 HIS 82 -4.548 4.803 34.489 648 HE1 HIS 82 HE1 HIS 82 -1.965 1.889 36.165 649 HE2 HIS 82 HE2 HIS 82 -3.272 3.994 36.592 650 H1 MET 1 1H MET 1 1.721 -21.103 -17.824 651 H2 MET 1 2H MET 1 1.154 -20.279 -16.454 652 H3 MET 1 3H MET 1 0.945 -19.604 -17.996 653 HA MET 1 HA MET 1 -0.465 -21.515 -18.598 654 HB2 MET 1 2HB MET 1 -0.319 -22.044 -15.620 655 HB3 MET 1 3HB MET 1 -1.371 -22.869 -16.759 656 HG2 MET 1 2HG MET 1 0.592 -23.786 -17.894 657 HG3 MET 1 3HG MET 1 1.636 -22.982 -16.723 658 HE1 MET 1 3HE MET 1 1.930 -26.760 -15.716 659 HE2 MET 1 1HE MET 1 2.819 -25.294 -16.137 660 HE3 MET 1 2HE MET 1 1.801 -26.086 -17.341 661 H LYS 2 H LYS 2 -2.679 -21.100 -18.567 662 HA LYS 2 HA LYS 2 -3.476 -18.749 -17.025 663 HB2 LYS 2 2HB LYS 2 -4.782 -20.217 -19.310 664 HB3 LYS 2 3HB LYS 2 -5.611 -18.963 -18.398 665 HG2 LYS 2 2HG LYS 2 -3.808 -17.383 -19.003 666 HG3 LYS 2 3HG LYS 2 -3.079 -18.646 -19.995 667 HD2 LYS 2 2HD LYS 2 -5.022 -18.711 -21.420 668 HD3 LYS 2 3HD LYS 2 -5.880 -17.586 -20.367 669 HE2 LYS 2 2HE LYS 2 -3.346 -16.959 -21.882 670 HE3 LYS 2 3HE LYS 2 -4.969 -16.502 -22.394 671 HZ1 LYS 2 3HZ LYS 2 -3.840 -14.679 -21.274 672 HZ2 LYS 2 1HZ LYS 2 -3.646 -15.626 -19.878 673 HZ3 LYS 2 2HZ LYS 2 -5.199 -15.179 -20.391 674 H LYS 3 H LYS 3 -3.467 -19.762 -15.007 675 HA LYS 3 HA LYS 3 -5.819 -21.432 -14.481 676 HB2 LYS 3 2HB LYS 3 -3.704 -22.826 -14.801 677 HB3 LYS 3 3HB LYS 3 -3.095 -22.068 -13.338 678 HG2 LYS 3 2HG LYS 3 -5.052 -22.977 -12.114 679 HG3 LYS 3 3HG LYS 3 -5.524 -23.830 -13.586 680 HD2 LYS 3 2HD LYS 3 -3.348 -24.998 -13.571 681 HD3 LYS 3 3HD LYS 3 -2.943 -24.185 -12.059 682 HE2 LYS 3 2HE LYS 3 -3.734 -26.391 -11.551 683 HE3 LYS 3 3HE LYS 3 -4.949 -25.227 -11.027 684 HZ1 LYS 3 3HZ LYS 3 -5.956 -27.105 -12.154 685 HZ2 LYS 3 1HZ LYS 3 -5.030 -26.806 -13.543 686 HZ3 LYS 3 2HZ LYS 3 -6.206 -25.687 -13.047 687 H MET 4 H MET 4 -4.384 -18.644 -13.912 688 HA MET 4 HA MET 4 -5.387 -18.492 -11.167 689 HB2 MET 4 2HB MET 4 -2.994 -18.834 -10.898 690 HB3 MET 4 3HB MET 4 -2.650 -17.536 -12.031 691 HG2 MET 4 2HG MET 4 -3.686 -15.932 -10.483 692 HG3 MET 4 3HG MET 4 -3.970 -17.244 -9.340 693 HE1 MET 4 3HE MET 4 -1.060 -15.044 -7.775 694 HE2 MET 4 1HE MET 4 -2.681 -15.684 -7.502 695 HE3 MET 4 2HE MET 4 -2.411 -14.477 -8.759 696 H ALA 5 H ALA 5 -6.965 -17.070 -11.340 697 HA ALA 5 HA ALA 5 -6.387 -14.384 -12.210 698 HB1 ALA 5 3HB ALA 5 -8.524 -15.981 -13.628 699 HB2 ALA 5 1HB ALA 5 -6.998 -15.446 -14.335 700 HB3 ALA 5 2HB ALA 5 -8.204 -14.260 -13.839 701 H GLU 6 H GLU 6 -8.274 -12.932 -11.759 702 HA GLU 6 HA GLU 6 -9.511 -13.721 -9.280 703 HB2 GLU 6 2HB GLU 6 -9.675 -11.190 -10.914 704 HB3 GLU 6 3HB GLU 6 -10.612 -11.435 -9.449 705 HG2 GLU 6 2HG GLU 6 -8.770 -10.216 -8.752 706 HG3 GLU 6 3HG GLU 6 -8.373 -11.870 -8.302 707 H PHE 7 H PHE 7 -10.901 -15.358 -9.721 708 HA PHE 7 HA PHE 7 -12.816 -15.410 -11.781 709 HB2 PHE 7 2HB PHE 7 -12.980 -16.773 -9.087 710 HB3 PHE 7 3HB PHE 7 -13.847 -17.233 -10.547 711 HD1 PHE 7 HD1 PHE 7 -12.419 -17.942 -12.572 712 HD2 PHE 7 HD2 PHE 7 -10.935 -17.743 -8.586 713 HE1 PHE 7 HE1 PHE 7 -10.587 -19.463 -13.184 714 HE2 PHE 7 HE2 PHE 7 -9.096 -19.264 -9.195 715 HZ PHE 7 HZ PHE 7 -8.923 -20.126 -11.495 716 H THR 8 H THR 8 -13.564 -15.155 -8.319 717 HA THR 8 HA THR 8 -15.298 -12.868 -8.899 718 HB THR 8 HB THR 8 -16.806 -14.773 -8.649 719 HG1 THR 8 HG1 THR 8 -17.263 -13.705 -6.158 720 HG21 THR 8 3HG2 THR 8 -16.918 -16.078 -6.591 721 HG22 THR 8 1HG2 THR 8 -15.530 -15.198 -5.944 722 HG23 THR 8 2HG2 THR 8 -15.334 -16.243 -7.351 723 H PHE 9 H PHE 9 -15.148 -11.238 -7.431 724 HA PHE 9 HA PHE 9 -13.846 -11.742 -4.880 725 HB2 PHE 9 2HB PHE 9 -12.263 -9.869 -5.188 726 HB3 PHE 9 3HB PHE 9 -11.966 -11.179 -6.323 727 HD1 PHE 9 HD2 PHE 9 -12.535 -10.908 -8.703 728 HD2 PHE 9 HD1 PHE 9 -12.917 -7.702 -5.929 729 HE1 PHE 9 HE2 PHE 9 -12.632 -9.312 -10.569 730 HE2 PHE 9 HE1 PHE 9 -13.012 -6.100 -7.794 731 HZ PHE 9 HZ PHE 9 -12.869 -6.902 -10.117 732 H GLU 10 H GLU 10 -14.469 -10.368 -3.286 733 HA GLU 10 HA GLU 10 -16.189 -8.124 -4.048 734 HB2 GLU 10 2HB GLU 10 -17.718 -8.707 -2.143 735 HB3 GLU 10 3HB GLU 10 -17.791 -9.799 -3.515 736 HG2 GLU 10 2HG GLU 10 -16.078 -10.418 -1.141 737 HG3 GLU 10 3HG GLU 10 -17.802 -10.775 -1.139 738 H ILE 11 H ILE 11 -16.368 -6.485 -2.486 739 HA ILE 11 HA ILE 11 -13.972 -6.182 -0.901 740 HB ILE 11 HB ILE 11 -16.291 -4.280 -1.322 741 HG12 ILE 11 2HG1 ILE 11 -14.438 -2.973 -2.551 742 HG13 ILE 11 3HG1 ILE 11 -13.547 -4.489 -2.558 743 HG21 ILE 11 1HG2 ILE 11 -15.243 -3.886 0.831 744 HG22 ILE 11 2HG2 ILE 11 -14.855 -2.579 -0.289 745 HG23 ILE 11 3HG2 ILE 11 -13.655 -3.823 0.066 746 HD11 ILE 11 3HD1 ILE 11 -14.697 -4.149 -4.658 747 HD12 ILE 11 1HD1 ILE 11 -16.240 -4.007 -3.813 748 HD13 ILE 11 2HD1 ILE 11 -15.370 -5.542 -3.808 749 H GLU 12 H GLU 12 -13.896 -7.056 1.028 750 HA GLU 12 HA GLU 12 -16.256 -7.779 2.482 751 HB2 GLU 12 2HB GLU 12 -13.307 -7.969 3.049 752 HB3 GLU 12 3HB GLU 12 -14.507 -8.408 4.258 753 HG2 GLU 12 2HG GLU 12 -14.444 -9.614 1.508 754 HG3 GLU 12 3HG GLU 12 -13.565 -10.290 2.879 755 H GLU 13 H GLU 13 -13.642 -5.429 2.977 756 HA GLU 13 HA GLU 13 -15.407 -3.841 4.640 757 HB2 GLU 13 2HB GLU 13 -14.339 -5.532 6.154 758 HB3 GLU 13 3HB GLU 13 -12.774 -4.849 5.730 759 HG2 GLU 13 2HG GLU 13 -13.471 -2.697 6.666 760 HG3 GLU 13 3HG GLU 13 -15.024 -3.404 7.109 761 H HIS 14 H HIS 14 -15.188 -1.865 3.844 762 HA HIS 14 HA HIS 14 -12.760 -0.973 2.576 763 HB2 HIS 14 2HB HIS 14 -14.776 -0.147 1.632 764 HB3 HIS 14 3HB HIS 14 -15.424 0.299 3.201 765 HD1 HIS 14 HD1 HIS 14 -12.922 1.467 0.602 766 HD2 HIS 14 HD2 HIS 14 -14.861 2.851 4.023 767 HE1 HIS 14 HE1 HIS 14 -12.457 3.935 0.707 768 HE2 HIS 14 HE2 HIS 14 -13.842 4.777 2.635 769 H LEU 15 H LEU 15 -11.042 -0.541 3.821 770 HA LEU 15 HA LEU 15 -11.215 0.031 6.586 771 HB2 LEU 15 2HB LEU 15 -8.905 0.450 4.683 772 HB3 LEU 15 3HB LEU 15 -8.794 0.498 6.432 773 HG LEU 15 HG LEU 15 -9.563 -1.940 4.820 774 HD11 LEU 15 1HD1 LEU 15 -6.963 -1.178 6.140 775 HD12 LEU 15 2HD1 LEU 15 -7.258 -1.371 4.412 776 HD13 LEU 15 3HD1 LEU 15 -7.335 -2.771 5.481 777 HD21 LEU 15 3HD2 LEU 15 -8.902 -1.648 7.749 778 HD22 LEU 15 1HD2 LEU 15 -9.282 -3.149 6.907 779 HD23 LEU 15 2HD2 LEU 15 -10.518 -1.902 7.085 780 H LEU 16 H LEU 16 -9.824 2.117 4.047 781 HA LEU 16 HA LEU 16 -11.308 4.389 5.022 782 HB2 LEU 16 2HB LEU 16 -9.412 5.759 5.604 783 HB3 LEU 16 3HB LEU 16 -9.407 4.312 6.595 784 HG LEU 16 HG LEU 16 -7.759 4.300 4.109 785 HD11 LEU 16 1HD1 LEU 16 -7.261 6.472 5.103 786 HD12 LEU 16 2HD1 LEU 16 -5.902 5.360 5.279 787 HD13 LEU 16 3HD1 LEU 16 -6.951 5.694 6.656 788 HD21 LEU 16 3HD2 LEU 16 -7.941 2.299 5.496 789 HD22 LEU 16 1HD2 LEU 16 -7.354 3.206 6.890 790 HD23 LEU 16 2HD2 LEU 16 -6.296 2.937 5.505 791 H THR 17 H THR 17 -10.970 6.290 3.721 792 HA THR 17 HA THR 17 -10.052 5.674 1.008 793 HB THR 17 HB THR 17 -11.556 8.116 1.980 794 HG1 THR 17 HG1 THR 17 -13.416 7.060 1.312 795 HG21 THR 17 3HG2 THR 17 -10.364 8.411 -0.144 796 HG22 THR 17 1HG2 THR 17 -12.111 8.405 -0.387 797 HG23 THR 17 2HG2 THR 17 -11.160 6.976 -0.791 798 H LEU 18 H LEU 18 -8.192 6.515 0.248 799 HA LEU 18 HA LEU 18 -6.548 8.063 2.056 800 HB2 LEU 18 2HB LEU 18 -5.965 7.101 -0.749 801 HB3 LEU 18 3HB LEU 18 -4.794 7.758 0.380 802 HG LEU 18 HG LEU 18 -6.315 5.176 0.747 803 HD11 LEU 18 1HD1 LEU 18 -4.678 4.975 -1.018 804 HD12 LEU 18 2HD1 LEU 18 -4.108 4.128 0.421 805 HD13 LEU 18 3HD1 LEU 18 -3.443 5.706 0.005 806 HD21 LEU 18 3HD2 LEU 18 -4.825 4.821 2.645 807 HD22 LEU 18 1HD2 LEU 18 -5.810 6.268 2.868 808 HD23 LEU 18 2HD2 LEU 18 -4.117 6.416 2.395 809 H SER 19 H SER 19 -7.553 8.428 -1.339 810 HA SER 19 HA SER 19 -8.053 11.241 -0.948 811 HB2 SER 19 2HB SER 19 -5.596 11.167 -1.358 812 HB3 SER 19 3HB SER 19 -5.902 10.363 -2.898 813 HG SER 19 HG SER 19 -5.604 12.642 -3.110 814 H GLU 20 H GLU 20 -9.009 12.216 -2.904 815 HA GLU 20 HA GLU 20 -10.126 10.211 -4.751 816 HB2 GLU 20 2HB GLU 20 -11.597 11.268 -2.749 817 HB3 GLU 20 3HB GLU 20 -11.834 12.512 -3.967 818 HG2 GLU 20 2HG GLU 20 -12.352 9.594 -4.447 819 HG3 GLU 20 3HG GLU 20 -13.581 10.729 -3.888 820 H ASN 21 H ASN 21 -9.301 10.738 -6.689 821 HA ASN 21 HA ASN 21 -8.620 13.571 -7.156 822 HB2 ASN 21 2HB ASN 21 -6.686 12.027 -6.905 823 HB3 ASN 21 3HB ASN 21 -7.271 11.103 -8.282 824 HD21 ASN 21 1HD2 ASN 21 -7.375 14.613 -8.041 825 HD22 ASN 21 2HD2 ASN 21 -6.235 14.904 -9.313 826 H GLU 22 H GLU 22 -9.164 14.537 -9.040 827 HA GLU 22 HA GLU 22 -10.145 14.961 -11.036 828 HB2 GLU 22 2HB GLU 22 -9.772 12.007 -11.557 829 HB3 GLU 22 3HB GLU 22 -10.128 13.230 -12.768 830 HG2 GLU 22 2HG GLU 22 -7.627 13.046 -11.102 831 HG3 GLU 22 3HG GLU 22 -7.782 12.623 -12.806 832 H LYS 23 H LYS 23 -11.629 13.609 -8.645 833 HA LYS 23 HA LYS 23 -13.718 12.975 -8.062 834 HB2 LYS 23 2HB LYS 23 -14.243 15.162 -9.192 835 HB3 LYS 23 3HB LYS 23 -14.615 14.250 -10.650 836 HG2 LYS 23 2HG LYS 23 -16.310 12.985 -9.312 837 HG3 LYS 23 3HG LYS 23 -16.025 14.124 -7.999 838 HD2 LYS 23 2HD LYS 23 -16.674 15.967 -9.509 839 HD3 LYS 23 3HD LYS 23 -17.038 14.778 -10.761 840 HE2 LYS 23 2HE LYS 23 -18.383 15.101 -8.087 841 HE3 LYS 23 3HE LYS 23 -19.090 15.365 -9.680 842 HZ1 LYS 23 3HZ LYS 23 -19.798 13.255 -8.775 843 HZ2 LYS 23 1HZ LYS 23 -18.191 12.752 -8.573 844 HZ3 LYS 23 2HZ LYS 23 -18.818 12.986 -10.131 845 H GLY 24 H GLY 24 -13.219 10.763 -8.276 846 HA2 GLY 24 2HA GLY 24 -14.794 8.973 -9.241 847 HA3 GLY 24 3HA GLY 24 -14.130 9.502 -10.782 848 H TRP 25 H TRP 25 -11.474 9.962 -9.799 849 HA TRP 25 HA TRP 25 -10.534 7.211 -9.759 850 HB2 TRP 25 2HB TRP 25 -9.051 9.839 -9.993 851 HB3 TRP 25 3HB TRP 25 -8.263 8.264 -9.971 852 HD1 TRP 25 HD1 TRP 25 -10.629 10.371 -12.166 853 HE1 TRP 25 HE1 TRP 25 -10.450 9.527 -14.595 854 HE3 TRP 25 HE3 TRP 25 -7.604 6.330 -11.385 855 HZ2 TRP 25 HZ2 TRP 25 -9.177 7.427 -15.986 856 HZ3 TRP 25 HZ3 TRP 25 -6.949 4.955 -13.317 857 HH2 TRP 25 HH2 TRP 25 -7.722 5.495 -15.569 858 H THR 26 H THR 26 -11.164 6.610 -7.695 859 HA THR 26 HA THR 26 -10.259 8.236 -5.451 860 HB THR 26 HB THR 26 -11.947 5.726 -5.411 861 HG1 THR 26 HG1 THR 26 -12.537 8.316 -6.150 862 HG21 THR 26 3HG2 THR 26 -12.685 6.557 -3.224 863 HG22 THR 26 1HG2 THR 26 -11.592 7.932 -3.375 864 HG23 THR 26 2HG2 THR 26 -10.942 6.296 -3.251 865 H LYS 27 H LYS 27 -8.657 7.664 -4.091 866 HA LYS 27 HA LYS 27 -7.321 5.080 -4.506 867 HB2 LYS 27 2HB LYS 27 -6.120 7.394 -4.616 868 HB3 LYS 27 3HB LYS 27 -6.247 7.358 -2.861 869 HG2 LYS 27 2HG LYS 27 -4.130 6.502 -3.310 870 HG3 LYS 27 3HG LYS 27 -5.122 5.073 -3.009 871 HD2 LYS 27 2HD LYS 27 -4.056 4.420 -4.921 872 HD3 LYS 27 3HD LYS 27 -5.488 5.183 -5.609 873 HE2 LYS 27 2HE LYS 27 -2.717 6.334 -5.371 874 HE3 LYS 27 3HE LYS 27 -3.597 5.940 -6.842 875 HZ1 LYS 27 3HZ LYS 27 -3.689 8.266 -6.585 876 HZ2 LYS 27 1HZ LYS 27 -4.122 8.158 -4.945 877 HZ3 LYS 27 2HZ LYS 27 -5.222 7.696 -6.151 878 H GLU 28 H GLU 28 -7.658 3.534 -2.976 879 HA GLU 28 HA GLU 28 -8.039 4.346 -0.218 880 HB2 GLU 28 2HB GLU 28 -10.141 3.168 0.082 881 HB3 GLU 28 3HB GLU 28 -10.318 4.423 -1.136 882 HG2 GLU 28 2HG GLU 28 -10.440 2.892 -2.880 883 HG3 GLU 28 3HG GLU 28 -9.730 1.597 -1.914 884 H ILE 29 H ILE 29 -8.481 2.347 1.150 885 HA ILE 29 HA ILE 29 -7.086 -0.020 0.102 886 HB ILE 29 HB ILE 29 -6.758 1.052 2.917 887 HG12 ILE 29 2HG1 ILE 29 -4.781 1.116 0.625 888 HG13 ILE 29 3HG1 ILE 29 -5.658 2.514 1.232 889 HG21 ILE 29 1HG2 ILE 29 -5.343 -1.176 1.453 890 HG22 ILE 29 2HG2 ILE 29 -6.563 -1.375 2.709 891 HG23 ILE 29 3HG2 ILE 29 -5.007 -0.643 3.101 892 HD11 ILE 29 3HD1 ILE 29 -3.649 0.878 2.763 893 HD12 ILE 29 1HD1 ILE 29 -4.544 2.260 3.395 894 HD13 ILE 29 2HD1 ILE 29 -3.394 2.482 2.077 895 H ASN 30 H ASN 30 -8.338 -1.795 0.310 896 HA ASN 30 HA ASN 30 -10.199 -1.942 2.551 897 HB2 ASN 30 2HB ASN 30 -12.092 -2.564 1.119 898 HB3 ASN 30 3HB ASN 30 -11.532 -0.933 0.765 899 HD21 ASN 30 1HD2 ASN 30 -10.692 -0.476 -1.216 900 HD22 ASN 30 2HD2 ASN 30 -10.699 -1.595 -2.535 901 H ARG 31 H ARG 31 -11.243 -4.097 2.696 902 HA ARG 31 HA ARG 31 -9.312 -6.195 2.182 903 HB2 ARG 31 2HB ARG 31 -11.924 -6.056 3.662 904 HB3 ARG 31 3HB ARG 31 -11.150 -7.593 3.328 905 HG2 ARG 31 2HG ARG 31 -9.148 -6.792 4.551 906 HG3 ARG 31 3HG ARG 31 -10.051 -5.330 4.972 907 HD2 ARG 31 2HD ARG 31 -11.664 -6.579 6.189 908 HD3 ARG 31 3HD ARG 31 -11.047 -8.107 5.566 909 HE ARG 31 HE ARG 31 -9.633 -6.397 7.509 910 HH11 ARG 31 1HH1 ARG 31 -10.315 -9.517 6.079 911 HH12 ARG 31 2HH1 ARG 31 -9.475 -10.410 7.305 912 HH21 ARG 31 1HH2 ARG 31 -8.518 -7.602 9.141 913 HH22 ARG 31 2HH2 ARG 31 -8.464 -9.332 9.019 914 H VAL 32 H VAL 32 -9.387 -7.564 0.513 915 HA VAL 32 HA VAL 32 -11.944 -7.862 -0.932 916 HB VAL 32 HB VAL 32 -9.177 -8.074 -2.134 917 HG11 VAL 32 1HG1 VAL 32 -11.903 -8.086 -3.424 918 HG12 VAL 32 2HG1 VAL 32 -10.828 -9.474 -3.250 919 HG13 VAL 32 3HG1 VAL 32 -10.358 -8.118 -4.276 920 HG21 VAL 32 3HG2 VAL 32 -11.200 -5.845 -2.322 921 HG22 VAL 32 1HG2 VAL 32 -9.740 -5.968 -3.305 922 HG23 VAL 32 2HG2 VAL 32 -9.613 -5.768 -1.557 923 H SER 33 H SER 33 -12.756 -9.855 -0.908 924 HA SER 33 HA SER 33 -10.980 -12.092 -0.260 925 HB2 SER 33 2HB SER 33 -13.236 -13.325 -0.069 926 HB3 SER 33 3HB SER 33 -12.858 -12.126 1.169 927 HG SER 33 HG SER 33 -14.682 -11.979 -0.978 928 H PHE 34 H PHE 34 -10.624 -13.748 -1.681 929 HA PHE 34 HA PHE 34 -11.678 -13.324 -4.398 930 HB2 PHE 34 2HB PHE 34 -9.028 -14.496 -3.535 931 HB3 PHE 34 3HB PHE 34 -9.598 -14.427 -5.197 932 HD1 PHE 34 HD2 PHE 34 -9.841 -12.243 -6.330 933 HD2 PHE 34 HD1 PHE 34 -8.091 -12.600 -2.467 934 HE1 PHE 34 HE2 PHE 34 -8.845 -10.006 -6.577 935 HE2 PHE 34 HE1 PHE 34 -7.094 -10.365 -2.707 936 HZ PHE 34 HZ PHE 34 -7.470 -9.065 -4.764 937 H ASN 35 H ASN 35 -13.271 -14.714 -4.704 938 HA ASN 35 HA ASN 35 -14.378 -16.660 -5.075 939 HB2 ASN 35 2HB ASN 35 -12.110 -17.057 -6.265 940 HB3 ASN 35 3HB ASN 35 -11.761 -18.136 -4.922 941 HD21 ASN 35 1HD2 ASN 35 -13.798 -17.570 -7.686 942 HD22 ASN 35 2HD2 ASN 35 -14.412 -19.178 -7.826 943 H GLY 36 H GLY 36 -14.151 -15.814 -2.372 944 HA2 GLY 36 2HA GLY 36 -14.912 -16.653 -0.356 945 HA3 GLY 36 3HA GLY 36 -14.937 -18.255 -1.076 946 H ALA 37 H ALA 37 -12.633 -15.792 0.027 947 HA ALA 37 HA ALA 37 -11.156 -17.827 1.493 948 HB1 ALA 37 3HB ALA 37 -9.864 -16.074 -0.604 949 HB2 ALA 37 1HB ALA 37 -10.079 -17.821 -0.700 950 HB3 ALA 37 2HB ALA 37 -9.007 -17.131 0.516 951 HA PRO 38 HA PRO 38 -10.574 -14.787 4.651 952 HB2 PRO 38 2HB PRO 38 -7.739 -14.740 4.705 953 HB3 PRO 38 3HB PRO 38 -8.809 -15.685 5.741 954 HG2 PRO 38 2HG PRO 38 -7.344 -16.496 3.295 955 HG3 PRO 38 3HG PRO 38 -7.800 -17.461 4.710 956 HD2 PRO 38 2HD PRO 38 -9.084 -17.728 2.373 957 HD3 PRO 38 3HD PRO 38 -9.955 -17.833 3.918 958 H ALA 39 H ALA 39 -10.781 -12.680 4.477 959 HA ALA 39 HA ALA 39 -10.219 -11.305 2.093 960 HB1 ALA 39 3HB ALA 39 -10.800 -10.057 4.772 961 HB2 ALA 39 1HB ALA 39 -12.031 -10.764 3.724 962 HB3 ALA 39 2HB ALA 39 -11.100 -9.375 3.171 963 H LYS 40 H LYS 40 -8.455 -10.364 1.383 964 HA LYS 40 HA LYS 40 -6.316 -9.751 3.303 965 HB2 LYS 40 2HB LYS 40 -6.180 -10.204 0.314 966 HB3 LYS 40 3HB LYS 40 -4.805 -9.800 1.337 967 HG2 LYS 40 2HG LYS 40 -5.038 -11.861 2.552 968 HG3 LYS 40 3HG LYS 40 -6.518 -12.251 1.673 969 HD2 LYS 40 2HD LYS 40 -5.219 -12.339 -0.421 970 HD3 LYS 40 3HD LYS 40 -3.748 -12.013 0.502 971 HE2 LYS 40 2HE LYS 40 -4.013 -14.404 0.049 972 HE3 LYS 40 3HE LYS 40 -4.078 -14.060 1.775 973 HZ1 LYS 40 3HZ LYS 40 -5.789 -15.623 1.180 974 HZ2 LYS 40 1HZ LYS 40 -6.402 -14.573 -0.005 975 HZ3 LYS 40 2HZ LYS 40 -6.512 -14.157 1.632 976 H PHE 41 H PHE 41 -4.913 -7.834 2.462 977 HA PHE 41 HA PHE 41 -6.841 -5.647 2.169 978 HB2 PHE 41 2HB PHE 41 -3.974 -5.552 3.132 979 HB3 PHE 41 3HB PHE 41 -5.138 -4.231 3.178 980 HD1 PHE 41 HD2 PHE 41 -7.089 -4.364 4.702 981 HD2 PHE 41 HD1 PHE 41 -3.942 -7.224 4.805 982 HE1 PHE 41 HE2 PHE 41 -7.820 -5.083 6.940 983 HE2 PHE 41 HE1 PHE 41 -4.670 -7.951 7.039 984 HZ PHE 41 HZ PHE 41 -6.609 -6.880 8.109 985 H ASP 42 H ASP 42 -7.017 -4.726 0.246 986 HA ASP 42 HA ASP 42 -4.696 -4.845 -1.563 987 HB2 ASP 42 2HB ASP 42 -6.803 -6.094 -2.240 988 HB3 ASP 42 3HB ASP 42 -7.583 -4.523 -2.392 989 H ILE 43 H ILE 43 -3.741 -2.992 -1.972 990 HA ILE 43 HA ILE 43 -5.160 -0.478 -1.400 991 HB ILE 43 HB ILE 43 -2.200 -0.911 -1.854 992 HG12 ILE 43 2HG1 ILE 43 -3.688 -0.531 0.757 993 HG13 ILE 43 3HG1 ILE 43 -3.017 -2.057 0.188 994 HG21 ILE 43 1HG2 ILE 43 -3.711 1.471 -0.790 995 HG22 ILE 43 2HG2 ILE 43 -2.956 1.344 -2.377 996 HG23 ILE 43 3HG2 ILE 43 -1.958 1.340 -0.923 997 HD11 ILE 43 3HD1 ILE 43 -1.573 -1.027 1.836 998 HD12 ILE 43 1HD1 ILE 43 -1.454 0.426 0.846 999 HD13 ILE 43 2HD1 ILE 43 -0.777 -1.093 0.264 1000 H ARG 44 H ARG 44 -6.097 0.400 -3.175 1001 HA ARG 44 HA ARG 44 -4.586 0.521 -5.655 1002 HB2 ARG 44 2HB ARG 44 -6.342 -0.501 -7.001 1003 HB3 ARG 44 3HB ARG 44 -5.714 -1.641 -5.819 1004 HG2 ARG 44 2HG ARG 44 -7.651 -1.484 -4.489 1005 HG3 ARG 44 3HG ARG 44 -8.213 -0.045 -5.347 1006 HD2 ARG 44 2HD ARG 44 -9.423 -2.120 -5.980 1007 HD3 ARG 44 3HD ARG 44 -8.630 -1.314 -7.332 1008 HE ARG 44 HE ARG 44 -7.298 -3.559 -5.969 1009 HH11 ARG 44 1HH1 ARG 44 -8.699 -2.134 -8.853 1010 HH12 ARG 44 2HH1 ARG 44 -8.153 -3.396 -9.912 1011 HH21 ARG 44 1HH2 ARG 44 -6.547 -5.203 -7.359 1012 HH22 ARG 44 2HH2 ARG 44 -6.933 -5.156 -9.051 1013 H ALA 45 H ALA 45 -6.280 1.366 -7.421 1014 HA ALA 45 HA ALA 45 -7.818 3.566 -6.216 1015 HB1 ALA 45 3HB ALA 45 -7.276 4.929 -8.167 1016 HB2 ALA 45 1HB ALA 45 -6.316 3.609 -8.836 1017 HB3 ALA 45 2HB ALA 45 -5.805 4.404 -7.347 1018 H TRP 46 H TRP 46 -9.781 4.084 -7.215 1019 HA TRP 46 HA TRP 46 -10.828 2.029 -9.049 1020 HB2 TRP 46 2HB TRP 46 -12.311 3.910 -7.195 1021 HB3 TRP 46 3HB TRP 46 -13.079 2.788 -8.311 1022 HD1 TRP 46 HD1 TRP 46 -11.827 3.035 -4.833 1023 HE1 TRP 46 HE1 TRP 46 -11.929 0.737 -3.681 1024 HE3 TRP 46 HE3 TRP 46 -12.655 0.101 -8.942 1025 HZ2 TRP 46 HZ2 TRP 46 -12.294 -1.969 -4.421 1026 HZ3 TRP 46 HZ3 TRP 46 -12.867 -2.331 -8.632 1027 HH2 TRP 46 HH2 TRP 46 -12.690 -3.343 -6.417 1028 H SER 47 H SER 47 -12.056 2.705 -10.856 1029 HA SER 47 HA SER 47 -11.357 5.400 -11.764 1030 HB2 SER 47 2HB SER 47 -11.979 4.465 -14.035 1031 HB3 SER 47 3HB SER 47 -10.582 3.714 -13.268 1032 HG SER 47 HG SER 47 -11.604 1.891 -13.309 1033 HA PRO 48 HA PRO 48 -15.418 7.004 -11.466 1034 HB2 PRO 48 2HB PRO 48 -15.225 8.000 -14.247 1035 HB3 PRO 48 3HB PRO 48 -15.471 8.894 -12.744 1036 HG2 PRO 48 2HG PRO 48 -13.131 8.972 -14.028 1037 HG3 PRO 48 3HG PRO 48 -13.216 8.968 -12.255 1038 HD2 PRO 48 2HD PRO 48 -12.545 6.734 -14.131 1039 HD3 PRO 48 3HD PRO 48 -11.831 7.138 -12.555 1040 H ASP 49 H ASP 49 -15.134 6.122 -14.912 1041 HA ASP 49 HA ASP 49 -17.283 4.200 -14.654 1042 HB2 ASP 49 2HB ASP 49 -18.460 6.363 -14.894 1043 HB3 ASP 49 3HB ASP 49 -17.593 6.657 -16.399 1044 H HIS 50 H HIS 50 -17.738 3.135 -16.757 1045 HA HIS 50 HA HIS 50 -17.153 2.063 -18.659 1046 HB2 HIS 50 2HB HIS 50 -16.666 4.401 -19.496 1047 HB3 HIS 50 3HB HIS 50 -14.985 4.135 -19.053 1048 HD1 HIS 50 HD1 HIS 50 -13.589 3.397 -20.944 1049 HD2 HIS 50 HD2 HIS 50 -17.544 2.190 -21.390 1050 HE1 HIS 50 HE1 HIS 50 -13.692 2.219 -23.165 1051 HE2 HIS 50 HE2 HIS 50 -16.133 1.688 -23.504 1052 H THR 51 H THR 51 -15.725 1.909 -15.965 1053 HA THR 51 HA THR 51 -14.010 0.835 -14.945 1054 HB THR 51 HB THR 51 -13.539 -1.456 -15.868 1055 HG1 THR 51 HG1 THR 51 -14.486 -0.392 -18.095 1056 HG21 THR 51 3HG2 THR 51 -16.434 -0.640 -15.573 1057 HG22 THR 51 1HG2 THR 51 -15.333 -1.067 -14.264 1058 HG23 THR 51 2HG2 THR 51 -15.823 -2.289 -15.438 1059 H LYS 52 H LYS 52 -12.556 2.606 -15.520 1060 HA LYS 52 HA LYS 52 -10.682 2.160 -17.672 1061 HB2 LYS 52 2HB LYS 52 -10.759 4.226 -15.468 1062 HB3 LYS 52 3HB LYS 52 -9.572 4.202 -16.767 1063 HG2 LYS 52 2HG LYS 52 -11.277 4.564 -18.413 1064 HG3 LYS 52 3HG LYS 52 -12.543 4.407 -17.194 1065 HD2 LYS 52 2HD LYS 52 -11.891 6.429 -16.132 1066 HD3 LYS 52 3HD LYS 52 -10.401 6.517 -17.077 1067 HE2 LYS 52 2HE LYS 52 -13.178 6.676 -18.235 1068 HE3 LYS 52 3HE LYS 52 -12.171 8.074 -17.858 1069 HZ1 LYS 52 3HZ LYS 52 -10.539 7.311 -19.438 1070 HZ2 LYS 52 1HZ LYS 52 -12.046 7.441 -20.201 1071 HZ3 LYS 52 2HZ LYS 52 -11.444 5.914 -19.771 1072 H MET 53 H MET 53 -8.241 2.495 -16.948 1073 HA MET 53 HA MET 53 -7.700 0.097 -15.473 1074 HB2 MET 53 2HB MET 53 -5.817 2.096 -16.730 1075 HB3 MET 53 3HB MET 53 -5.334 0.551 -16.042 1076 HG2 MET 53 2HG MET 53 -7.173 0.956 -18.386 1077 HG3 MET 53 3HG MET 53 -5.497 0.418 -18.454 1078 HE1 MET 53 3HE MET 53 -6.416 -1.601 -19.982 1079 HE2 MET 53 1HE MET 53 -8.078 -1.060 -19.762 1080 HE3 MET 53 2HE MET 53 -7.648 -2.742 -19.446 1081 H GLY 54 H GLY 54 -7.817 0.112 -13.381 1082 HA2 GLY 54 2HA GLY 54 -6.305 2.174 -11.904 1083 HA3 GLY 54 3HA GLY 54 -7.889 1.634 -11.354 1084 H LYS 55 H LYS 55 -4.529 0.919 -11.499 1085 HA LYS 55 HA LYS 55 -4.881 -1.848 -10.726 1086 HB2 LYS 55 2HB LYS 55 -2.370 -0.215 -11.108 1087 HB3 LYS 55 3HB LYS 55 -2.410 -1.939 -10.775 1088 HG2 LYS 55 2HG LYS 55 -3.459 -0.550 -13.229 1089 HG3 LYS 55 3HG LYS 55 -2.030 -1.578 -13.120 1090 HD2 LYS 55 2HD LYS 55 -3.503 -3.465 -12.462 1091 HD3 LYS 55 3HD LYS 55 -4.900 -2.419 -12.729 1092 HE2 LYS 55 2HE LYS 55 -4.637 -3.712 -14.696 1093 HE3 LYS 55 3HE LYS 55 -4.060 -2.091 -15.077 1094 HZ1 LYS 55 3HZ LYS 55 -2.405 -4.479 -14.467 1095 HZ2 LYS 55 1HZ LYS 55 -1.775 -2.911 -14.642 1096 HZ3 LYS 55 2HZ LYS 55 -2.530 -3.674 -15.956 1097 H GLY 56 H GLY 56 -3.390 -2.641 -8.948 1098 HA2 GLY 56 2HA GLY 56 -2.765 -0.920 -6.774 1099 HA3 GLY 56 3HA GLY 56 -4.255 -1.813 -6.483 1100 H ILE 57 H ILE 57 -2.538 -2.466 -4.696 1101 HA ILE 57 HA ILE 57 -1.369 -4.992 -5.638 1102 HB ILE 57 HB ILE 57 0.430 -3.319 -5.449 1103 HG12 ILE 57 2HG1 ILE 57 0.647 -5.390 -3.263 1104 HG13 ILE 57 3HG1 ILE 57 0.775 -5.766 -4.979 1105 HG21 ILE 57 1HG2 ILE 57 -0.375 -3.200 -2.550 1106 HG22 ILE 57 2HG2 ILE 57 -0.456 -1.890 -3.729 1107 HG23 ILE 57 3HG2 ILE 57 1.107 -2.519 -3.216 1108 HD11 ILE 57 3HD1 ILE 57 2.715 -4.315 -5.160 1109 HD12 ILE 57 1HD1 ILE 57 2.962 -5.562 -3.941 1110 HD13 ILE 57 2HD1 ILE 57 2.582 -3.911 -3.448 1111 H THR 58 H THR 58 -1.496 -6.696 -4.254 1112 HA THR 58 HA THR 58 -3.318 -6.338 -1.990 1113 HB THR 58 HB THR 58 -2.527 -9.001 -3.137 1114 HG1 THR 58 HG1 THR 58 -4.402 -7.119 -4.209 1115 HG21 THR 58 3HG2 THR 58 -4.801 -9.610 -2.443 1116 HG22 THR 58 1HG2 THR 58 -5.089 -7.950 -1.921 1117 HG23 THR 58 2HG2 THR 58 -3.887 -8.939 -1.093 1118 H LEU 59 H LEU 59 -2.627 -6.647 0.055 1119 HA LEU 59 HA LEU 59 0.051 -7.833 0.421 1120 HB2 LEU 59 2HB LEU 59 -1.352 -5.892 2.261 1121 HB3 LEU 59 3HB LEU 59 0.297 -6.465 2.398 1122 HG LEU 59 HG LEU 59 -0.806 -4.625 0.277 1123 HD11 LEU 59 1HD1 LEU 59 1.219 -4.215 2.466 1124 HD12 LEU 59 2HD1 LEU 59 -0.411 -3.543 2.402 1125 HD13 LEU 59 3HD1 LEU 59 0.801 -3.035 1.224 1126 HD21 LEU 59 3HD2 LEU 59 1.488 -4.516 -0.584 1127 HD22 LEU 59 1HD2 LEU 59 0.807 -6.137 -0.731 1128 HD23 LEU 59 2HD2 LEU 59 1.967 -5.780 0.548 1129 H SER 60 H SER 60 0.314 -9.450 1.905 1130 HA SER 60 HA SER 60 -2.085 -10.781 2.801 1131 HB2 SER 60 2HB SER 60 -0.094 -12.005 1.896 1132 HB3 SER 60 3HB SER 60 0.805 -11.517 3.331 1133 HG SER 60 HG SER 60 -0.680 -13.638 3.075 1134 H ASN 61 H ASN 61 -1.910 -11.755 5.118 1135 HA ASN 61 HA ASN 61 -2.552 -9.741 6.891 1136 HB2 ASN 61 2HB ASN 61 -1.611 -12.549 7.507 1137 HB3 ASN 61 3HB ASN 61 -2.380 -11.478 8.670 1138 HD21 ASN 61 1HD2 ASN 61 -4.106 -12.817 9.014 1139 HD22 ASN 61 2HD2 ASN 61 -5.340 -13.081 7.834 1140 H GLU 62 H GLU 62 0.437 -11.686 6.930 1141 HA GLU 62 HA GLU 62 1.622 -10.263 9.052 1142 HB2 GLU 62 2HB GLU 62 2.876 -11.973 6.905 1143 HB3 GLU 62 3HB GLU 62 3.734 -11.370 8.316 1144 HG2 GLU 62 2HG GLU 62 1.392 -13.258 8.302 1145 HG3 GLU 62 3HG GLU 62 3.071 -13.650 8.680 1146 H GLU 63 H GLU 63 1.929 -9.965 5.555 1147 HA GLU 63 HA GLU 63 4.027 -8.111 5.504 1148 HB2 GLU 63 2HB GLU 63 1.781 -8.351 3.497 1149 HB3 GLU 63 3HB GLU 63 3.400 -7.721 3.208 1150 HG2 GLU 63 2HG GLU 63 4.353 -9.913 3.567 1151 HG3 GLU 63 3HG GLU 63 2.765 -10.563 3.974 1152 H PHE 64 H PHE 64 0.521 -7.687 5.642 1153 HA PHE 64 HA PHE 64 0.537 -4.861 5.457 1154 HB2 PHE 64 2HB PHE 64 -1.421 -6.528 5.160 1155 HB3 PHE 64 3HB PHE 64 -1.564 -6.453 6.911 1156 HD1 PHE 64 HD2 PHE 64 -1.473 -4.274 3.901 1157 HD2 PHE 64 HD1 PHE 64 -2.870 -4.803 7.886 1158 HE1 PHE 64 HE2 PHE 64 -2.853 -2.246 3.685 1159 HE2 PHE 64 HE1 PHE 64 -4.247 -2.779 7.678 1160 HZ PHE 64 HZ PHE 64 -4.239 -1.497 5.577 1161 H GLN 65 H GLN 65 0.430 -7.104 8.216 1162 HA GLN 65 HA GLN 65 0.336 -5.231 10.285 1163 HB2 GLN 65 2HB GLN 65 1.536 -7.992 10.130 1164 HB3 GLN 65 3HB GLN 65 1.525 -7.059 11.621 1165 HG2 GLN 65 2HG GLN 65 -1.028 -7.476 10.149 1166 HG3 GLN 65 3HG GLN 65 -0.356 -8.794 11.104 1167 HE21 GLN 65 1HE2 GLN 65 0.108 -5.466 12.024 1168 HE22 GLN 65 2HE2 GLN 65 -0.942 -5.495 13.393 1169 H THR 66 H THR 66 3.101 -6.654 8.615 1170 HA THR 66 HA THR 66 5.189 -5.588 10.061 1171 HB THR 66 HB THR 66 4.970 -6.161 7.105 1172 HG1 THR 66 HG1 THR 66 5.691 -8.144 7.657 1173 HG21 THR 66 3HG2 THR 66 7.479 -5.673 8.721 1174 HG22 THR 66 1HG2 THR 66 6.819 -4.592 7.492 1175 HG23 THR 66 2HG2 THR 66 7.410 -6.187 7.034 1176 H MET 67 H MET 67 3.567 -4.121 7.226 1177 HA MET 67 HA MET 67 5.250 -1.820 7.338 1178 HB2 MET 67 2HB MET 67 4.116 -1.025 5.439 1179 HB3 MET 67 3HB MET 67 4.163 -2.768 5.254 1180 HG2 MET 67 2HG MET 67 2.024 -2.282 4.602 1181 HG3 MET 67 3HG MET 67 1.787 -2.679 6.303 1182 HE1 MET 67 3HE MET 67 -0.226 -0.993 4.350 1183 HE2 MET 67 1HE MET 67 -0.793 0.236 5.479 1184 HE3 MET 67 2HE MET 67 -0.638 -1.439 6.006 1185 H VAL 68 H VAL 68 2.002 -2.567 8.493 1186 HA VAL 68 HA VAL 68 1.229 0.054 9.152 1187 HB VAL 68 HB VAL 68 0.396 -2.590 10.343 1188 HG11 VAL 68 1HG1 VAL 68 0.090 -0.955 12.090 1189 HG12 VAL 68 2HG1 VAL 68 -1.482 -1.331 11.387 1190 HG13 VAL 68 3HG1 VAL 68 -0.663 0.169 10.958 1191 HG21 VAL 68 3HG2 VAL 68 -1.012 -0.640 8.522 1192 HG22 VAL 68 1HG2 VAL 68 -1.676 -2.161 9.116 1193 HG23 VAL 68 2HG2 VAL 68 -0.285 -2.171 8.031 1194 H ASP 69 H ASP 69 2.840 -2.434 11.119 1195 HA ASP 69 HA ASP 69 3.002 -0.877 13.462 1196 HB2 ASP 69 2HB ASP 69 3.353 -3.246 13.609 1197 HB3 ASP 69 3HB ASP 69 4.717 -3.164 12.494 1198 H ALA 70 H ALA 70 5.182 -1.230 10.725 1199 HA ALA 70 HA ALA 70 7.340 0.216 11.826 1200 HB1 ALA 70 3HB ALA 70 7.544 -1.303 9.900 1201 HB2 ALA 70 1HB ALA 70 8.222 0.294 9.581 1202 HB3 ALA 70 2HB ALA 70 6.649 -0.144 8.917 1203 H PHE 71 H PHE 71 4.691 1.214 9.657 1204 HA PHE 71 HA PHE 71 5.547 3.939 9.594 1205 HB2 PHE 71 2HB PHE 71 2.930 2.647 8.814 1206 HB3 PHE 71 3HB PHE 71 3.296 4.350 8.562 1207 HD1 PHE 71 HD1 PHE 71 6.193 4.059 7.770 1208 HD2 PHE 71 HD2 PHE 71 2.705 1.918 6.600 1209 HE1 PHE 71 HE1 PHE 71 7.251 3.518 5.615 1210 HE2 PHE 71 HE2 PHE 71 3.757 1.375 4.449 1211 HZ PHE 71 HZ PHE 71 6.029 2.174 3.953 1212 H LYS 72 H LYS 72 3.458 2.061 11.645 1213 HA LYS 72 HA LYS 72 2.136 4.086 13.033 1214 HB2 LYS 72 2HB LYS 72 1.522 1.815 13.429 1215 HB3 LYS 72 3HB LYS 72 3.157 1.381 13.900 1216 HG2 LYS 72 2HG LYS 72 2.947 2.339 15.996 1217 HG3 LYS 72 3HG LYS 72 1.610 3.377 15.494 1218 HD2 LYS 72 2HD LYS 72 0.866 1.536 16.948 1219 HD3 LYS 72 3HD LYS 72 0.137 1.466 15.347 1220 HE2 LYS 72 2HE LYS 72 0.752 -0.751 15.960 1221 HE3 LYS 72 3HE LYS 72 1.873 -0.212 14.714 1222 HZ1 LYS 72 3HZ LYS 72 2.491 -0.053 17.607 1223 HZ2 LYS 72 1HZ LYS 72 3.564 0.098 16.302 1224 HZ3 LYS 72 2HZ LYS 72 2.873 -1.409 16.661 1225 H GLY 73 H GLY 73 5.384 2.797 13.390 1226 HA2 GLY 73 2HA GLY 73 5.971 4.909 15.353 1227 HA3 GLY 73 3HA GLY 73 6.952 3.479 15.075 1228 H ASN 74 H ASN 74 5.664 5.553 12.520 1229 HA ASN 74 HA ASN 74 8.197 6.925 12.180 1230 HB2 ASN 74 2HB ASN 74 8.246 4.602 10.972 1231 HB3 ASN 74 3HB ASN 74 7.189 5.384 9.801 1232 HD21 ASN 74 1HD2 ASN 74 10.385 5.214 11.120 1233 HD22 ASN 74 2HD2 ASN 74 11.154 6.199 9.922 1234 H LEU 75 H LEU 75 7.931 8.142 9.845 1235 HA LEU 75 HA LEU 75 6.992 9.978 8.915 1236 HB2 LEU 75 2HB LEU 75 4.550 8.243 9.215 1237 HB3 LEU 75 3HB LEU 75 4.479 9.826 8.468 1238 HG LEU 75 HG LEU 75 6.365 8.878 6.922 1239 HD11 LEU 75 1HD1 LEU 75 5.016 6.343 7.830 1240 HD12 LEU 75 2HD1 LEU 75 6.683 6.800 8.182 1241 HD13 LEU 75 3HD1 LEU 75 6.185 6.492 6.516 1242 HD21 LEU 75 3HD2 LEU 75 4.638 8.042 5.377 1243 HD22 LEU 75 1HD2 LEU 75 4.189 9.572 6.134 1244 HD23 LEU 75 2HD2 LEU 75 3.474 8.063 6.700 1245 H GLU 76 H GLU 76 4.519 11.247 9.307 1246 HA GLU 76 HA GLU 76 3.400 12.693 10.661 1247 HB2 GLU 76 2HB GLU 76 2.951 10.649 11.990 1248 HB3 GLU 76 3HB GLU 76 4.433 10.922 12.894 1249 HG2 GLU 76 2HG GLU 76 3.529 12.938 13.848 1250 HG3 GLU 76 3HG GLU 76 2.079 12.796 12.851 1251 H HIS 77 H HIS 77 3.787 14.485 12.251 1252 HA HIS 77 HA HIS 77 6.672 14.944 12.639 1253 HB2 HIS 77 2HB HIS 77 5.638 16.551 11.037 1254 HB3 HIS 77 3HB HIS 77 4.555 17.084 12.319 1255 HD1 HIS 77 HD1 HIS 77 5.333 19.340 12.982 1256 HD2 HIS 77 HD2 HIS 77 8.501 16.699 12.422 1257 HE1 HIS 77 HE1 HIS 77 7.406 20.604 13.660 1258 HE2 HIS 77 HE2 HIS 77 9.280 18.923 13.498 1259 H HIS 78 H HIS 78 6.487 13.764 14.567 1260 HA HIS 78 HA HIS 78 4.962 15.048 16.735 1261 HB2 HIS 78 2HB HIS 78 5.005 12.447 16.037 1262 HB3 HIS 78 3HB HIS 78 6.393 12.460 17.117 1263 HD1 HIS 78 HD1 HIS 78 2.872 11.963 17.104 1264 HD2 HIS 78 HD2 HIS 78 5.595 13.593 19.796 1265 HE1 HIS 78 HE1 HIS 78 1.713 11.944 19.344 1266 HE2 HIS 78 HE2 HIS 78 3.315 13.085 20.918 1267 H HIS 79 H HIS 79 6.040 15.767 18.594 1268 HA HIS 79 HA HIS 79 8.812 16.408 18.320 1269 HB2 HIS 79 2HB HIS 79 7.197 17.789 19.634 1270 HB3 HIS 79 3HB HIS 79 7.109 16.496 20.826 1271 HD1 HIS 79 HD1 HIS 79 8.966 16.361 22.545 1272 HD2 HIS 79 HD2 HIS 79 9.692 19.165 19.561 1273 HE1 HIS 79 HE1 HIS 79 10.938 17.697 23.337 1274 HE2 HIS 79 HE2 HIS 79 11.478 19.253 21.429 1275 H HIS 80 H HIS 80 7.047 14.244 20.519 1276 HA HIS 80 HA HIS 80 9.403 12.791 21.261 1277 HB2 HIS 80 2HB HIS 80 7.513 12.863 22.781 1278 HB3 HIS 80 3HB HIS 80 6.450 12.174 21.561 1279 HD1 HIS 80 HD1 HIS 80 6.016 9.781 21.853 1280 HD2 HIS 80 HD2 HIS 80 9.677 10.884 23.493 1281 HE1 HIS 80 HE1 HIS 80 6.937 7.695 22.914 1282 HE2 HIS 80 HE2 HIS 80 9.052 8.433 24.074 1283 H HIS 81 H HIS 81 10.397 12.124 19.378 1284 HA HIS 81 HA HIS 81 9.106 9.880 18.009 1285 HB2 HIS 81 2HB HIS 81 9.695 10.668 15.809 1286 HB3 HIS 81 3HB HIS 81 8.760 11.926 16.604 1287 HD1 HIS 81 HD1 HIS 81 12.180 11.181 15.250 1288 HD2 HIS 81 HD2 HIS 81 10.179 14.296 17.157 1289 HE1 HIS 81 HE1 HIS 81 13.653 13.202 14.990 1290 HE2 HIS 81 HE2 HIS 81 12.505 15.022 16.305 1291 H HIS 82 H HIS 82 10.775 8.789 16.526 1292 HA HIS 82 HA HIS 82 13.224 8.388 17.999 1293 HB2 HIS 82 2HB HIS 82 12.105 6.464 16.951 1294 HB3 HIS 82 3HB HIS 82 12.294 7.206 15.365 1295 HD1 HIS 82 HD1 HIS 82 14.316 6.500 14.095 1296 HD2 HIS 82 HD2 HIS 82 14.746 5.917 18.197 1297 HE1 HIS 82 HE1 HIS 82 16.527 5.338 14.393 1298 HE2 HIS 82 HE2 HIS 82 16.673 4.825 16.857 Start of MODEL 6 1 H1 MET 1 1H MET 1 1.570 9.121 -27.320 2 H2 MET 1 2H MET 1 3.098 9.801 -27.021 3 H3 MET 1 3H MET 1 2.416 9.893 -28.569 4 HA MET 1 HA MET 1 2.296 11.987 -27.385 5 HB2 MET 1 2HB MET 1 -0.218 12.290 -27.649 6 HB3 MET 1 3HB MET 1 0.676 11.749 -29.058 7 HG2 MET 1 2HG MET 1 -1.354 10.524 -28.952 8 HG3 MET 1 3HG MET 1 -0.038 9.427 -28.546 9 HE1 MET 1 3HE MET 1 -1.809 7.691 -27.613 10 HE2 MET 1 1HE MET 1 -3.113 8.805 -28.018 11 HE3 MET 1 2HE MET 1 -3.031 8.092 -26.407 12 H LYS 2 H LYS 2 2.024 9.486 -25.324 13 HA LYS 2 HA LYS 2 0.793 11.212 -23.283 14 HB2 LYS 2 2HB LYS 2 0.252 9.104 -22.028 15 HB3 LYS 2 3HB LYS 2 -0.658 9.354 -23.505 16 HG2 LYS 2 2HG LYS 2 0.651 7.712 -24.662 17 HG3 LYS 2 3HG LYS 2 1.744 7.555 -23.282 18 HD2 LYS 2 2HD LYS 2 -0.017 6.657 -21.915 19 HD3 LYS 2 3HD LYS 2 -1.210 6.964 -23.176 20 HE2 LYS 2 2HE LYS 2 1.133 5.098 -23.503 21 HE3 LYS 2 3HE LYS 2 -0.460 4.577 -22.954 22 HZ1 LYS 2 3HZ LYS 2 -1.286 5.674 -25.102 23 HZ2 LYS 2 1HZ LYS 2 -0.498 4.181 -25.215 24 HZ3 LYS 2 2HZ LYS 2 0.335 5.598 -25.610 25 H LYS 3 H LYS 3 3.615 10.703 -24.319 26 HA LYS 3 HA LYS 3 5.696 10.965 -23.472 27 HB2 LYS 3 2HB LYS 3 4.236 12.537 -21.954 28 HB3 LYS 3 3HB LYS 3 4.609 11.351 -20.711 29 HG2 LYS 3 2HG LYS 3 6.183 13.195 -20.637 30 HG3 LYS 3 3HG LYS 3 7.003 11.702 -21.110 31 HD2 LYS 3 2HD LYS 3 6.850 12.368 -23.460 32 HD3 LYS 3 3HD LYS 3 6.054 13.867 -22.982 33 HE2 LYS 3 2HE LYS 3 8.033 14.583 -21.797 34 HE3 LYS 3 3HE LYS 3 8.829 13.046 -22.138 35 HZ1 LYS 3 3HZ LYS 3 7.935 14.979 -24.211 36 HZ2 LYS 3 1HZ LYS 3 8.809 13.552 -24.476 37 HZ3 LYS 3 2HZ LYS 3 9.525 14.845 -23.645 38 H MET 4 H MET 4 4.309 8.326 -23.355 39 HA MET 4 HA MET 4 5.197 6.986 -21.006 40 HB2 MET 4 2HB MET 4 3.316 6.187 -22.440 41 HB3 MET 4 3HB MET 4 4.488 5.772 -23.683 42 HG2 MET 4 2HG MET 4 5.529 4.158 -22.210 43 HG3 MET 4 3HG MET 4 4.439 4.613 -20.904 44 HE1 MET 4 3HE MET 4 4.876 2.692 -24.274 45 HE2 MET 4 1HE MET 4 3.821 4.021 -24.758 46 HE3 MET 4 2HE MET 4 3.208 2.367 -24.743 47 H ALA 5 H ALA 5 7.101 6.172 -20.529 48 HA ALA 5 HA ALA 5 9.231 5.418 -20.640 49 HB1 ALA 5 3HB ALA 5 8.766 5.094 -23.603 50 HB2 ALA 5 1HB ALA 5 8.399 3.883 -22.373 51 HB3 ALA 5 2HB ALA 5 10.069 4.375 -22.657 52 H GLU 6 H GLU 6 8.369 8.290 -21.296 53 HA GLU 6 HA GLU 6 10.945 9.153 -22.432 54 HB2 GLU 6 2HB GLU 6 8.293 10.575 -22.293 55 HB3 GLU 6 3HB GLU 6 9.789 11.361 -22.770 56 HG2 GLU 6 2HG GLU 6 9.970 9.618 -24.587 57 HG3 GLU 6 3HG GLU 6 8.307 9.178 -24.193 58 H PHE 7 H PHE 7 10.207 8.383 -19.603 59 HA PHE 7 HA PHE 7 11.192 10.845 -18.346 60 HB2 PHE 7 2HB PHE 7 9.835 10.318 -16.335 61 HB3 PHE 7 3HB PHE 7 8.848 10.668 -17.747 62 HD1 PHE 7 HD1 PHE 7 7.636 8.854 -18.890 63 HD2 PHE 7 HD2 PHE 7 9.813 8.181 -15.293 64 HE1 PHE 7 HE1 PHE 7 6.436 6.734 -18.566 65 HE2 PHE 7 HE2 PHE 7 8.618 6.051 -14.968 66 HZ PHE 7 HZ PHE 7 6.927 5.330 -16.603 67 H THR 8 H THR 8 12.511 10.536 -16.479 68 HA THR 8 HA THR 8 13.890 7.938 -16.544 69 HB THR 8 HB THR 8 14.901 10.565 -15.435 70 HG1 THR 8 HG1 THR 8 14.652 9.703 -17.995 71 HG21 THR 8 3HG2 THR 8 17.102 9.473 -15.598 72 HG22 THR 8 1HG2 THR 8 16.317 7.987 -16.131 73 HG23 THR 8 2HG2 THR 8 16.021 8.606 -14.506 74 H PHE 9 H PHE 9 13.520 6.610 -14.900 75 HA PHE 9 HA PHE 9 12.624 7.781 -12.354 76 HB2 PHE 9 2HB PHE 9 11.477 5.599 -11.939 77 HB3 PHE 9 3HB PHE 9 10.835 6.490 -13.311 78 HD1 PHE 9 HD1 PHE 9 11.314 5.733 -15.609 79 HD2 PHE 9 HD2 PHE 9 12.470 3.454 -12.206 80 HE1 PHE 9 HE1 PHE 9 11.607 3.755 -17.041 81 HE2 PHE 9 HE2 PHE 9 12.768 1.472 -13.633 82 HZ PHE 9 HZ PHE 9 12.338 1.621 -16.052 83 H GLU 10 H GLU 10 13.620 7.225 -10.503 84 HA GLU 10 HA GLU 10 15.594 5.070 -10.518 85 HB2 GLU 10 2HB GLU 10 16.837 7.091 -11.189 86 HB3 GLU 10 3HB GLU 10 16.257 7.927 -9.754 87 HG2 GLU 10 2HG GLU 10 18.543 7.172 -9.466 88 HG3 GLU 10 3HG GLU 10 17.462 6.353 -8.340 89 H ILE 11 H ILE 11 15.867 4.122 -8.535 90 HA ILE 11 HA ILE 11 13.922 4.798 -6.505 91 HB ILE 11 HB ILE 11 16.053 2.648 -6.458 92 HG12 ILE 11 2HG1 ILE 11 13.123 2.457 -7.210 93 HG13 ILE 11 3HG1 ILE 11 14.472 2.368 -8.339 94 HG21 ILE 11 1HG2 ILE 11 13.584 3.057 -4.769 95 HG22 ILE 11 2HG2 ILE 11 15.259 3.219 -4.236 96 HG23 ILE 11 3HG2 ILE 11 14.632 1.639 -4.709 97 HD11 ILE 11 3HD1 ILE 11 13.581 0.164 -7.835 98 HD12 ILE 11 1HD1 ILE 11 13.900 0.417 -6.118 99 HD13 ILE 11 2HD1 ILE 11 15.242 0.322 -7.260 100 H GLU 12 H GLU 12 14.333 6.290 -5.037 101 HA GLU 12 HA GLU 12 17.081 7.120 -4.540 102 HB2 GLU 12 2HB GLU 12 14.399 8.305 -3.841 103 HB3 GLU 12 3HB GLU 12 15.907 8.960 -3.218 104 HG2 GLU 12 2HG GLU 12 15.266 8.659 -6.141 105 HG3 GLU 12 3HG GLU 12 15.031 10.139 -5.211 106 H GLU 13 H GLU 13 14.230 6.131 -2.667 107 HA GLU 13 HA GLU 13 16.045 5.476 -0.444 108 HB2 GLU 13 2HB GLU 13 14.807 7.608 -0.068 109 HB3 GLU 13 3HB GLU 13 13.301 6.716 -0.192 110 HG2 GLU 13 2HG GLU 13 13.895 5.411 1.772 111 HG3 GLU 13 3HG GLU 13 15.428 6.277 1.890 112 H HIS 14 H HIS 14 15.561 3.645 0.714 113 HA HIS 14 HA HIS 14 13.318 2.023 -0.309 114 HB2 HIS 14 2HB HIS 14 15.786 1.265 -0.689 115 HB3 HIS 14 3HB HIS 14 15.761 0.868 1.026 116 HD1 HIS 14 HD1 HIS 14 14.205 -0.120 -2.255 117 HD2 HIS 14 HD2 HIS 14 14.431 -1.482 1.667 118 HE1 HIS 14 HE1 HIS 14 13.250 -2.436 -2.292 119 HE2 HIS 14 HE2 HIS 14 13.579 -3.320 0.042 120 H LEU 15 H LEU 15 11.721 1.824 1.158 121 HA LEU 15 HA LEU 15 12.147 2.776 3.828 122 HB2 LEU 15 2HB LEU 15 9.699 1.565 2.553 123 HB3 LEU 15 3HB LEU 15 9.739 2.312 4.138 124 HG LEU 15 HG LEU 15 10.296 3.734 1.530 125 HD11 LEU 15 1HD1 LEU 15 7.947 3.095 1.791 126 HD12 LEU 15 2HD1 LEU 15 8.168 4.841 1.906 127 HD13 LEU 15 3HD1 LEU 15 7.912 3.886 3.365 128 HD21 LEU 15 3HD2 LEU 15 10.042 4.796 4.340 129 HD22 LEU 15 1HD2 LEU 15 10.250 5.763 2.881 130 HD23 LEU 15 2HD2 LEU 15 11.537 4.680 3.409 131 H LEU 16 H LEU 16 10.562 -0.270 2.810 132 HA LEU 16 HA LEU 16 12.305 -1.813 4.500 133 HB2 LEU 16 2HB LEU 16 10.627 -2.652 6.023 134 HB3 LEU 16 3HB LEU 16 10.743 -0.911 6.169 135 HG LEU 16 HG LEU 16 8.642 -1.984 4.355 136 HD11 LEU 16 1HD1 LEU 16 8.435 -3.457 6.274 137 HD12 LEU 16 2HD1 LEU 16 7.107 -2.296 6.245 138 HD13 LEU 16 3HD1 LEU 16 8.451 -2.070 7.364 139 HD21 LEU 16 3HD2 LEU 16 7.405 -0.083 5.223 140 HD22 LEU 16 1HD2 LEU 16 8.993 0.425 4.646 141 HD23 LEU 16 2HD2 LEU 16 8.695 0.253 6.377 142 H THR 17 H THR 17 11.786 -4.098 4.474 143 HA THR 17 HA THR 17 10.417 -4.921 2.019 144 HB THR 17 HB THR 17 12.120 -6.615 3.863 145 HG1 THR 17 HG1 THR 17 12.938 -5.375 1.417 146 HG21 THR 17 3HG2 THR 17 11.289 -6.998 0.984 147 HG22 THR 17 1HG2 THR 17 10.635 -7.872 2.369 148 HG23 THR 17 2HG2 THR 17 12.328 -8.079 1.912 149 H LEU 18 H LEU 18 8.431 -5.801 2.149 150 HA LEU 18 HA LEU 18 7.201 -6.121 4.729 151 HB2 LEU 18 2HB LEU 18 6.147 -6.615 1.944 152 HB3 LEU 18 3HB LEU 18 5.182 -6.709 3.405 153 HG LEU 18 HG LEU 18 6.547 -4.226 2.357 154 HD11 LEU 18 1HD1 LEU 18 4.620 -4.936 1.019 155 HD12 LEU 18 2HD1 LEU 18 4.294 -3.444 1.899 156 HD13 LEU 18 3HD1 LEU 18 3.628 -4.973 2.477 157 HD21 LEU 18 3HD2 LEU 18 5.331 -3.073 4.132 158 HD22 LEU 18 1HD2 LEU 18 6.442 -4.270 4.796 159 HD23 LEU 18 2HD2 LEU 18 4.714 -4.615 4.720 160 H SER 19 H SER 19 7.595 -8.331 1.934 161 HA SER 19 HA SER 19 8.425 -10.473 3.624 162 HB2 SER 19 2HB SER 19 6.514 -11.965 3.282 163 HB3 SER 19 3HB SER 19 6.016 -10.508 4.136 164 HG SER 19 HG SER 19 4.631 -11.222 2.363 165 H GLU 20 H GLU 20 8.505 -12.575 2.364 166 HA GLU 20 HA GLU 20 8.868 -12.083 -0.519 167 HB2 GLU 20 2HB GLU 20 10.999 -12.360 0.885 168 HB3 GLU 20 3HB GLU 20 10.501 -14.024 1.132 169 HG2 GLU 20 2HG GLU 20 10.807 -12.910 -1.626 170 HG3 GLU 20 3HG GLU 20 12.202 -13.480 -0.714 171 H ASN 21 H ASN 21 7.399 -13.229 -1.634 172 HA ASN 21 HA ASN 21 6.045 -15.430 -0.226 173 HB2 ASN 21 2HB ASN 21 5.059 -13.520 -2.341 174 HB3 ASN 21 3HB ASN 21 4.150 -14.932 -1.817 175 HD21 ASN 21 1HD2 ASN 21 5.002 -14.681 0.960 176 HD22 ASN 21 2HD2 ASN 21 4.116 -13.343 1.615 177 H GLU 22 H GLU 22 5.503 -17.301 -1.249 178 HA GLU 22 HA GLU 22 5.717 -19.089 -2.606 179 HB2 GLU 22 2HB GLU 22 4.631 -17.604 -4.275 180 HB3 GLU 22 3HB GLU 22 6.217 -17.064 -4.805 181 HG2 GLU 22 2HG GLU 22 6.739 -19.420 -5.410 182 HG3 GLU 22 3HG GLU 22 5.069 -19.835 -5.024 183 H LYS 23 H LYS 23 7.964 -17.212 -4.510 184 HA LYS 23 HA LYS 23 10.335 -17.786 -3.189 185 HB2 LYS 23 2HB LYS 23 9.768 -20.153 -3.856 186 HB3 LYS 23 3HB LYS 23 9.885 -19.646 -5.537 187 HG2 LYS 23 2HG LYS 23 12.228 -19.029 -5.185 188 HG3 LYS 23 3HG LYS 23 12.107 -19.556 -3.504 189 HD2 LYS 23 2HD LYS 23 11.495 -21.817 -4.318 190 HD3 LYS 23 3HD LYS 23 11.777 -21.262 -5.968 191 HE2 LYS 23 2HE LYS 23 14.106 -20.717 -5.347 192 HE3 LYS 23 3HE LYS 23 13.806 -21.377 -3.741 193 HZ1 LYS 23 3HZ LYS 23 13.274 -23.512 -4.808 194 HZ2 LYS 23 1HZ LYS 23 14.874 -23.023 -5.089 195 HZ3 LYS 23 2HZ LYS 23 13.708 -22.857 -6.312 196 H GLY 24 H GLY 24 10.396 -15.593 -3.806 197 HA2 GLY 24 2HA GLY 24 11.977 -14.456 -5.389 198 HA3 GLY 24 3HA GLY 24 11.020 -15.180 -6.674 199 H TRP 25 H TRP 25 8.579 -14.670 -4.862 200 HA TRP 25 HA TRP 25 8.008 -12.073 -6.005 201 HB2 TRP 25 2HB TRP 25 6.340 -14.026 -4.423 202 HB3 TRP 25 3HB TRP 25 5.751 -12.431 -4.875 203 HD1 TRP 25 HD1 TRP 25 6.494 -15.871 -6.321 204 HE1 TRP 25 HE1 TRP 25 5.510 -16.000 -8.699 205 HE3 TRP 25 HE3 TRP 25 5.187 -10.963 -6.923 206 HZ2 TRP 25 HZ2 TRP 25 4.333 -14.249 -10.576 207 HZ3 TRP 25 HZ3 TRP 25 4.133 -10.273 -9.039 208 HH2 TRP 25 HH2 TRP 25 3.716 -11.885 -10.825 209 H THR 26 H THR 26 9.474 -10.777 -4.821 210 HA THR 26 HA THR 26 9.156 -10.674 -1.926 211 HB THR 26 HB THR 26 10.896 -8.901 -3.654 212 HG1 THR 26 HG1 THR 26 11.116 -11.552 -3.103 213 HG21 THR 26 3HG2 THR 26 11.054 -9.676 -0.734 214 HG22 THR 26 1HG2 THR 26 10.536 -8.111 -1.361 215 HG23 THR 26 2HG2 THR 26 12.201 -8.644 -1.590 216 H LYS 27 H LYS 27 8.118 -9.047 -0.834 217 HA LYS 27 HA LYS 27 6.827 -6.993 -2.513 218 HB2 LYS 27 2HB LYS 27 5.325 -8.704 -1.386 219 HB3 LYS 27 3HB LYS 27 5.826 -8.009 0.150 220 HG2 LYS 27 2HG LYS 27 4.930 -5.839 -0.560 221 HG3 LYS 27 3HG LYS 27 4.395 -6.569 -2.073 222 HD2 LYS 27 2HD LYS 27 3.474 -7.347 0.694 223 HD3 LYS 27 3HD LYS 27 2.562 -6.381 -0.461 224 HE2 LYS 27 2HE LYS 27 1.634 -8.448 -0.795 225 HE3 LYS 27 3HE LYS 27 2.903 -8.458 -2.020 226 HZ1 LYS 27 3HZ LYS 27 3.035 -10.522 -0.913 227 HZ2 LYS 27 1HZ LYS 27 2.887 -9.810 0.618 228 HZ3 LYS 27 2HZ LYS 27 4.310 -9.610 -0.280 229 H GLU 28 H GLU 28 7.541 -4.979 -2.156 230 HA GLU 28 HA GLU 28 8.569 -4.308 0.506 231 HB2 GLU 28 2HB GLU 28 10.074 -3.756 -2.060 232 HB3 GLU 28 3HB GLU 28 10.559 -3.247 -0.447 233 HG2 GLU 28 2HG GLU 28 10.686 -5.660 0.185 234 HG3 GLU 28 3HG GLU 28 10.404 -6.056 -1.509 235 H ILE 29 H ILE 29 8.994 -1.953 0.711 236 HA ILE 29 HA ILE 29 7.313 -0.326 -1.075 237 HB ILE 29 HB ILE 29 7.491 0.091 1.918 238 HG12 ILE 29 2HG1 ILE 29 5.212 -1.108 0.321 239 HG13 ILE 29 3HG1 ILE 29 6.284 -2.007 1.388 240 HG21 ILE 29 1HG2 ILE 29 7.060 2.090 0.546 241 HG22 ILE 29 2HG2 ILE 29 5.687 1.675 1.570 242 HG23 ILE 29 3HG2 ILE 29 5.651 1.292 -0.150 243 HD11 ILE 29 3HD1 ILE 29 4.166 -1.554 2.468 244 HD12 ILE 29 1HD1 ILE 29 4.383 0.176 2.210 245 HD13 ILE 29 2HD1 ILE 29 5.470 -0.698 3.289 246 H ASN 30 H ASN 30 8.350 1.472 -1.802 247 HA ASN 30 HA ASN 30 10.553 2.556 -0.266 248 HB2 ASN 30 2HB ASN 30 12.031 2.516 -2.378 249 HB3 ASN 30 3HB ASN 30 11.901 1.057 -1.410 250 HD21 ASN 30 1HD2 ASN 30 9.458 2.224 -3.708 251 HD22 ASN 30 2HD2 ASN 30 9.638 0.902 -4.802 252 H ARG 31 H ARG 31 11.692 4.256 -1.936 253 HA ARG 31 HA ARG 31 9.481 5.985 -2.820 254 HB2 ARG 31 2HB ARG 31 11.680 6.462 -0.922 255 HB3 ARG 31 3HB ARG 31 11.464 7.735 -2.116 256 HG2 ARG 31 2HG ARG 31 9.363 8.282 -1.352 257 HG3 ARG 31 3HG ARG 31 9.102 6.699 -0.622 258 HD2 ARG 31 2HD ARG 31 9.449 8.543 1.020 259 HD3 ARG 31 3HD ARG 31 10.574 7.201 1.184 260 HE ARG 31 HE ARG 31 12.306 8.577 0.460 261 HH11 ARG 31 1HH1 ARG 31 9.258 10.299 0.348 262 HH12 ARG 31 2HH1 ARG 31 9.996 11.868 0.352 263 HH21 ARG 31 1HH2 ARG 31 13.281 10.634 0.491 264 HH22 ARG 31 2HH2 ARG 31 12.289 12.064 0.453 265 H VAL 32 H VAL 32 9.568 5.962 -4.949 266 HA VAL 32 HA VAL 32 12.165 6.056 -6.326 267 HB VAL 32 HB VAL 32 9.403 5.456 -7.422 268 HG11 VAL 32 1HG1 VAL 32 10.556 4.764 -9.464 269 HG12 VAL 32 2HG1 VAL 32 12.097 5.272 -8.775 270 HG13 VAL 32 3HG1 VAL 32 10.846 6.468 -9.116 271 HG21 VAL 32 3HG2 VAL 32 10.220 3.153 -7.633 272 HG22 VAL 32 1HG2 VAL 32 10.219 3.694 -5.954 273 HG23 VAL 32 2HG2 VAL 32 11.732 3.623 -6.857 274 H SER 33 H SER 33 12.711 7.726 -7.676 275 HA SER 33 HA SER 33 10.895 10.041 -7.652 276 HB2 SER 33 2HB SER 33 13.091 10.409 -6.561 277 HB3 SER 33 3HB SER 33 13.895 9.999 -8.077 278 HG SER 33 HG SER 33 13.683 12.251 -7.858 279 H PHE 34 H PHE 34 10.485 11.149 -9.548 280 HA PHE 34 HA PHE 34 11.330 9.811 -12.030 281 HB2 PHE 34 2HB PHE 34 8.742 11.312 -11.543 282 HB3 PHE 34 3HB PHE 34 9.205 10.488 -13.028 283 HD1 PHE 34 HD1 PHE 34 9.278 8.032 -13.108 284 HD2 PHE 34 HD2 PHE 34 7.869 10.117 -9.680 285 HE1 PHE 34 HE1 PHE 34 8.223 5.966 -12.291 286 HE2 PHE 34 HE2 PHE 34 6.815 8.055 -8.854 287 HZ PHE 34 HZ PHE 34 6.992 5.974 -10.160 288 H ASN 35 H ASN 35 12.782 10.997 -13.015 289 HA ASN 35 HA ASN 35 13.888 12.716 -13.975 290 HB2 ASN 35 2HB ASN 35 11.249 14.119 -13.569 291 HB3 ASN 35 3HB ASN 35 12.630 14.914 -14.314 292 HD21 ASN 35 1HD2 ASN 35 11.506 15.176 -16.237 293 HD22 ASN 35 2HD2 ASN 35 11.213 13.857 -17.314 294 H GLY 36 H GLY 36 11.970 14.515 -11.583 295 HA2 GLY 36 2HA GLY 36 14.295 14.873 -9.890 296 HA3 GLY 36 3HA GLY 36 13.748 16.329 -10.712 297 H ALA 37 H ALA 37 12.179 13.607 -9.053 298 HA ALA 37 HA ALA 37 10.320 15.513 -7.817 299 HB1 ALA 37 3HB ALA 37 10.190 12.500 -8.027 300 HB2 ALA 37 1HB ALA 37 9.332 13.645 -9.057 301 HB3 ALA 37 2HB ALA 37 8.943 13.539 -7.341 302 HA PRO 38 HA PRO 38 12.068 14.806 -3.767 303 HB2 PRO 38 2HB PRO 38 9.908 14.848 -2.146 304 HB3 PRO 38 3HB PRO 38 10.502 16.301 -2.959 305 HG2 PRO 38 2HG PRO 38 8.230 14.503 -3.709 306 HG3 PRO 38 3HG PRO 38 8.305 16.275 -3.723 307 HD2 PRO 38 2HD PRO 38 8.606 14.757 -5.960 308 HD3 PRO 38 3HD PRO 38 9.380 16.337 -5.750 309 H ALA 39 H ALA 39 10.868 12.438 -5.415 310 HA ALA 39 HA ALA 39 10.728 10.191 -5.255 311 HB1 ALA 39 3HB ALA 39 11.876 10.570 -2.492 312 HB2 ALA 39 1HB ALA 39 12.792 10.313 -3.977 313 HB3 ALA 39 2HB ALA 39 11.744 9.038 -3.355 314 H LYS 40 H LYS 40 8.667 9.614 -5.356 315 HA LYS 40 HA LYS 40 6.969 10.014 -3.016 316 HB2 LYS 40 2HB LYS 40 6.331 9.333 -5.883 317 HB3 LYS 40 3HB LYS 40 5.128 9.253 -4.601 318 HG2 LYS 40 2HG LYS 40 5.573 11.643 -4.105 319 HG3 LYS 40 3HG LYS 40 6.653 11.687 -5.500 320 HD2 LYS 40 2HD LYS 40 4.820 11.149 -6.981 321 HD3 LYS 40 3HD LYS 40 3.728 10.948 -5.610 322 HE2 LYS 40 2HE LYS 40 5.109 13.513 -6.403 323 HE3 LYS 40 3HE LYS 40 3.419 13.117 -6.716 324 HZ1 LYS 40 3HZ LYS 40 3.027 13.027 -4.339 325 HZ2 LYS 40 1HZ LYS 40 3.676 14.531 -4.763 326 HZ3 LYS 40 2HZ LYS 40 4.654 13.369 -4.023 327 H PHE 41 H PHE 41 5.219 8.087 -2.933 328 HA PHE 41 HA PHE 41 6.953 5.857 -2.155 329 HB2 PHE 41 2HB PHE 41 4.153 6.487 -1.211 330 HB3 PHE 41 3HB PHE 41 5.259 5.304 -0.525 331 HD1 PHE 41 HD1 PHE 41 4.527 8.886 -0.874 332 HD2 PHE 41 HD2 PHE 41 7.003 5.963 0.985 333 HE1 PHE 41 HE1 PHE 41 5.355 10.590 0.699 334 HE2 PHE 41 HE2 PHE 41 7.834 7.664 2.556 335 HZ PHE 41 HZ PHE 41 7.013 9.978 2.415 336 H ASP 42 H ASP 42 6.683 3.853 -2.956 337 HA ASP 42 HA ASP 42 4.120 3.219 -4.218 338 HB2 ASP 42 2HB ASP 42 5.193 2.089 -6.078 339 HB3 ASP 42 3HB ASP 42 5.720 3.765 -6.022 340 H ILE 43 H ILE 43 3.293 1.356 -3.650 341 HA ILE 43 HA ILE 43 4.953 -0.514 -2.087 342 HB ILE 43 HB ILE 43 1.931 -0.313 -2.199 343 HG12 ILE 43 2HG1 ILE 43 3.835 0.591 -0.026 344 HG13 ILE 43 3HG1 ILE 43 2.971 1.659 -1.125 345 HG21 ILE 43 1HG2 ILE 43 1.994 -1.810 -0.251 346 HG22 ILE 43 2HG2 ILE 43 3.749 -1.915 -0.402 347 HG23 ILE 43 3HG2 ILE 43 2.715 -2.553 -1.680 348 HD11 ILE 43 3HD1 ILE 43 1.716 -0.174 0.901 349 HD12 ILE 43 1HD1 ILE 43 0.848 0.892 -0.202 350 HD13 ILE 43 2HD1 ILE 43 1.893 1.574 1.045 351 H ARG 44 H ARG 44 5.729 -2.074 -3.434 352 HA ARG 44 HA ARG 44 3.862 -3.188 -5.416 353 HB2 ARG 44 2HB ARG 44 6.733 -2.418 -5.943 354 HB3 ARG 44 3HB ARG 44 5.698 -3.285 -7.065 355 HG2 ARG 44 2HG ARG 44 4.168 -1.307 -7.052 356 HG3 ARG 44 3HG ARG 44 5.388 -0.452 -6.103 357 HD2 ARG 44 2HD ARG 44 5.632 0.103 -8.444 358 HD3 ARG 44 3HD ARG 44 7.023 -0.838 -7.903 359 HE ARG 44 HE ARG 44 4.938 -2.437 -9.073 360 HH11 ARG 44 1HH1 ARG 44 7.794 -0.538 -9.714 361 HH12 ARG 44 2HH1 ARG 44 8.122 -1.297 -11.247 362 HH21 ARG 44 1HH2 ARG 44 5.361 -3.458 -11.074 363 HH22 ARG 44 2HH2 ARG 44 6.745 -2.969 -12.008 364 H ALA 45 H ALA 45 4.430 -5.257 -6.243 365 HA ALA 45 HA ALA 45 6.237 -6.810 -4.515 366 HB1 ALA 45 3HB ALA 45 3.909 -7.598 -4.478 367 HB2 ALA 45 1HB ALA 45 4.981 -8.794 -5.207 368 HB3 ALA 45 2HB ALA 45 3.949 -7.794 -6.231 369 H TRP 46 H TRP 46 7.820 -8.040 -5.475 370 HA TRP 46 HA TRP 46 8.334 -7.396 -8.293 371 HB2 TRP 46 2HB TRP 46 10.305 -8.250 -6.159 372 HB3 TRP 46 3HB TRP 46 10.696 -7.760 -7.804 373 HD1 TRP 46 HD1 TRP 46 10.177 -6.380 -4.369 374 HE1 TRP 46 HE1 TRP 46 10.359 -3.811 -4.413 375 HE3 TRP 46 HE3 TRP 46 10.079 -5.640 -9.433 376 HZ2 TRP 46 HZ2 TRP 46 10.446 -1.751 -6.332 377 HZ3 TRP 46 HZ3 TRP 46 10.211 -3.333 -10.284 378 HH2 TRP 46 HH2 TRP 46 10.389 -1.432 -8.765 379 H SER 47 H SER 47 8.246 -8.946 -9.714 380 HA SER 47 HA SER 47 7.588 -11.625 -8.994 381 HB2 SER 47 2HB SER 47 6.750 -10.386 -11.035 382 HB3 SER 47 3HB SER 47 8.367 -10.540 -11.718 383 HG SER 47 HG SER 47 8.065 -12.642 -12.026 384 HA PRO 48 HA PRO 48 11.672 -13.512 -9.011 385 HB2 PRO 48 2HB PRO 48 11.026 -15.818 -10.421 386 HB3 PRO 48 3HB PRO 48 10.854 -15.616 -8.673 387 HG2 PRO 48 2HG PRO 48 8.796 -15.389 -10.824 388 HG3 PRO 48 3HG PRO 48 8.647 -16.066 -9.192 389 HD2 PRO 48 2HD PRO 48 7.684 -13.637 -9.805 390 HD3 PRO 48 3HD PRO 48 8.396 -13.981 -8.215 391 H ASP 49 H ASP 49 12.899 -12.287 -10.311 392 HA ASP 49 HA ASP 49 14.098 -11.639 -12.117 393 HB2 ASP 49 2HB ASP 49 14.199 -14.142 -12.539 394 HB3 ASP 49 3HB ASP 49 12.853 -13.931 -13.655 395 H HIS 50 H HIS 50 13.335 -11.662 -14.896 396 HA HIS 50 HA HIS 50 11.469 -9.421 -14.721 397 HB2 HIS 50 2HB HIS 50 13.226 -10.412 -16.977 398 HB3 HIS 50 3HB HIS 50 12.217 -8.974 -17.059 399 HD1 HIS 50 HD1 HIS 50 13.362 -6.853 -16.458 400 HD2 HIS 50 HD2 HIS 50 15.258 -10.165 -14.804 401 HE1 HIS 50 HE1 HIS 50 15.426 -5.963 -15.332 402 HE2 HIS 50 HE2 HIS 50 16.506 -7.964 -14.249 403 H THR 51 H THR 51 10.342 -11.960 -14.355 404 HA THR 51 HA THR 51 9.245 -12.963 -16.801 405 HB THR 51 HB THR 51 7.767 -14.282 -15.150 406 HG1 THR 51 HG1 THR 51 9.629 -13.864 -13.159 407 HG21 THR 51 3HG2 THR 51 9.695 -15.258 -16.264 408 HG22 THR 51 1HG2 THR 51 9.629 -15.796 -14.586 409 HG23 THR 51 2HG2 THR 51 10.775 -14.543 -15.067 410 H LYS 52 H LYS 52 7.416 -11.933 -13.922 411 HA LYS 52 HA LYS 52 5.345 -10.922 -15.732 412 HB2 LYS 52 2HB LYS 52 5.227 -11.573 -12.785 413 HB3 LYS 52 3HB LYS 52 3.878 -10.963 -13.730 414 HG2 LYS 52 2HG LYS 52 4.061 -12.998 -15.163 415 HG3 LYS 52 3HG LYS 52 5.265 -13.616 -14.029 416 HD2 LYS 52 2HD LYS 52 3.620 -13.455 -12.215 417 HD3 LYS 52 3HD LYS 52 2.418 -12.867 -13.363 418 HE2 LYS 52 2HE LYS 52 2.716 -15.004 -14.630 419 HE3 LYS 52 3HE LYS 52 3.733 -15.576 -13.310 420 HZ1 LYS 52 3HZ LYS 52 1.867 -15.324 -11.797 421 HZ2 LYS 52 1HZ LYS 52 1.451 -16.345 -13.087 422 HZ3 LYS 52 2HZ LYS 52 0.891 -14.745 -13.059 423 H MET 53 H MET 53 4.189 -8.968 -15.119 424 HA MET 53 HA MET 53 5.948 -6.873 -14.191 425 HB2 MET 53 2HB MET 53 4.494 -6.348 -16.046 426 HB3 MET 53 3HB MET 53 3.076 -6.857 -15.139 427 HG2 MET 53 2HG MET 53 3.244 -4.434 -15.282 428 HG3 MET 53 3HG MET 53 3.346 -4.997 -13.617 429 HE1 MET 53 3HE MET 53 6.175 -5.119 -16.356 430 HE2 MET 53 1HE MET 53 6.987 -3.579 -16.078 431 HE3 MET 53 2HE MET 53 5.337 -3.605 -16.701 432 H GLY 54 H GLY 54 6.203 -6.511 -12.100 433 HA2 GLY 54 2HA GLY 54 4.652 -7.745 -10.101 434 HA3 GLY 54 3HA GLY 54 5.842 -6.482 -9.839 435 H LYS 55 H LYS 55 2.744 -7.264 -9.348 436 HA LYS 55 HA LYS 55 1.293 -4.929 -9.959 437 HB2 LYS 55 2HB LYS 55 0.882 -6.988 -7.776 438 HB3 LYS 55 3HB LYS 55 -0.285 -5.739 -8.185 439 HG2 LYS 55 2HG LYS 55 -0.604 -6.674 -10.375 440 HG3 LYS 55 3HG LYS 55 0.688 -7.843 -10.108 441 HD2 LYS 55 2HD LYS 55 -1.495 -8.892 -9.833 442 HD3 LYS 55 3HD LYS 55 -0.622 -8.866 -8.303 443 HE2 LYS 55 2HE LYS 55 -1.918 -6.948 -7.573 444 HE3 LYS 55 3HE LYS 55 -2.750 -6.897 -9.126 445 HZ1 LYS 55 3HZ LYS 55 -2.848 -9.254 -7.330 446 HZ2 LYS 55 1HZ LYS 55 -3.835 -8.935 -8.671 447 HZ3 LYS 55 2HZ LYS 55 -3.982 -8.005 -7.259 448 H GLY 56 H GLY 56 0.782 -3.116 -8.691 449 HA2 GLY 56 2HA GLY 56 1.772 -2.725 -6.072 450 HA3 GLY 56 3HA GLY 56 2.880 -2.019 -7.236 451 H ILE 57 H ILE 57 1.536 -0.549 -5.294 452 HA ILE 57 HA ILE 57 -0.263 1.075 -6.972 453 HB ILE 57 HB ILE 57 -1.558 -0.052 -5.224 454 HG12 ILE 57 2HG1 ILE 57 -2.540 1.975 -4.128 455 HG13 ILE 57 3HG1 ILE 57 -1.207 2.921 -4.782 456 HG21 ILE 57 1HG2 ILE 57 0.286 1.333 -3.287 457 HG22 ILE 57 2HG2 ILE 57 0.159 -0.402 -3.572 458 HG23 ILE 57 3HG2 ILE 57 -1.192 0.472 -2.853 459 HD11 ILE 57 3HD1 ILE 57 -1.914 2.368 -7.043 460 HD12 ILE 57 1HD1 ILE 57 -3.212 3.146 -6.135 461 HD13 ILE 57 2HD1 ILE 57 -3.240 1.402 -6.394 462 H THR 58 H THR 58 0.240 3.188 -7.139 463 HA THR 58 HA THR 58 2.581 4.151 -5.688 464 HB THR 58 HB THR 58 1.079 5.517 -7.934 465 HG1 THR 58 HG1 THR 58 3.391 3.842 -8.021 466 HG21 THR 58 3HG2 THR 58 3.168 6.781 -8.216 467 HG22 THR 58 1HG2 THR 58 3.858 5.948 -6.822 468 HG23 THR 58 2HG2 THR 58 2.476 7.025 -6.614 469 H LEU 59 H LEU 59 2.477 5.629 -4.100 470 HA LEU 59 HA LEU 59 -0.106 6.965 -3.620 471 HB2 LEU 59 2HB LEU 59 1.756 5.789 -1.554 472 HB3 LEU 59 3HB LEU 59 0.316 6.720 -1.199 473 HG LEU 59 HG LEU 59 0.365 4.043 -2.592 474 HD11 LEU 59 1HD1 LEU 59 0.949 3.840 -0.250 475 HD12 LEU 59 2HD1 LEU 59 -0.676 3.214 -0.531 476 HD13 LEU 59 3HD1 LEU 59 -0.456 4.801 0.206 477 HD21 LEU 59 3HD2 LEU 59 -1.956 5.728 -1.664 478 HD22 LEU 59 1HD2 LEU 59 -2.063 4.102 -2.337 479 HD23 LEU 59 2HD2 LEU 59 -1.489 5.435 -3.340 480 H SER 60 H SER 60 -0.008 9.091 -3.303 481 HA SER 60 HA SER 60 2.531 10.436 -3.414 482 HB2 SER 60 2HB SER 60 0.388 11.270 -4.482 483 HB3 SER 60 3HB SER 60 -0.180 11.662 -2.861 484 HG SER 60 HG SER 60 0.777 13.477 -3.801 485 H ASN 61 H ASN 61 2.738 12.362 -1.772 486 HA ASN 61 HA ASN 61 3.612 11.179 0.587 487 HB2 ASN 61 2HB ASN 61 3.120 13.995 0.988 488 HB3 ASN 61 3HB ASN 61 4.653 13.145 0.834 489 HD21 ASN 61 1HD2 ASN 61 2.267 15.065 -0.747 490 HD22 ASN 61 2HD2 ASN 61 3.133 15.289 -2.238 491 H GLU 62 H GLU 62 0.803 13.336 0.144 492 HA GLU 62 HA GLU 62 -0.095 13.159 2.803 493 HB2 GLU 62 2HB GLU 62 -1.455 13.928 0.230 494 HB3 GLU 62 3HB GLU 62 -2.325 13.899 1.755 495 HG2 GLU 62 2HG GLU 62 -1.522 16.139 1.148 496 HG3 GLU 62 3HG GLU 62 -0.871 15.570 2.683 497 H GLU 63 H GLU 63 -0.955 11.301 -0.080 498 HA GLU 63 HA GLU 63 -3.089 9.842 1.008 499 HB2 GLU 63 2HB GLU 63 -1.147 8.820 -1.072 500 HB3 GLU 63 3HB GLU 63 -2.827 8.348 -0.853 501 HG2 GLU 63 2HG GLU 63 -3.544 10.586 -1.525 502 HG3 GLU 63 3HG GLU 63 -1.859 11.052 -1.752 503 H PHE 64 H PHE 64 0.355 9.137 0.793 504 HA PHE 64 HA PHE 64 0.304 6.600 2.010 505 HB2 PHE 64 2HB PHE 64 2.167 7.810 0.661 506 HB3 PHE 64 3HB PHE 64 2.626 8.504 2.210 507 HD1 PHE 64 HD2 PHE 64 2.261 5.363 0.326 508 HD2 PHE 64 HD1 PHE 64 3.825 7.242 3.804 509 HE1 PHE 64 HE2 PHE 64 3.610 3.360 0.797 510 HE2 PHE 64 HE1 PHE 64 5.175 5.247 4.281 511 HZ PHE 64 HZ PHE 64 5.071 3.301 2.778 512 H GLN 65 H GLN 65 0.942 9.841 3.327 513 HA GLN 65 HA GLN 65 1.336 9.098 5.996 514 HB2 GLN 65 2HB GLN 65 1.942 11.297 5.380 515 HB3 GLN 65 3HB GLN 65 0.362 11.633 4.692 516 HG2 GLN 65 2HG GLN 65 0.768 12.823 6.801 517 HG3 GLN 65 3HG GLN 65 -0.629 11.755 6.873 518 HE21 GLN 65 1HE2 GLN 65 2.677 10.614 7.072 519 HE22 GLN 65 2HE2 GLN 65 2.596 10.125 8.731 520 H THR 66 H THR 66 -1.629 9.742 4.198 521 HA THR 66 HA THR 66 -3.471 9.822 6.272 522 HB THR 66 HB THR 66 -3.848 8.613 3.520 523 HG1 THR 66 HG1 THR 66 -3.167 10.855 3.575 524 HG21 THR 66 3HG2 THR 66 -5.891 9.636 5.499 525 HG22 THR 66 1HG2 THR 66 -5.640 7.950 5.047 526 HG23 THR 66 2HG2 THR 66 -6.231 9.106 3.852 527 H MET 67 H MET 67 -2.385 6.958 4.423 528 HA MET 67 HA MET 67 -3.878 5.117 5.982 529 HB2 MET 67 2HB MET 67 -2.810 3.398 4.786 530 HB3 MET 67 3HB MET 67 -2.856 4.739 3.650 531 HG2 MET 67 2HG MET 67 -0.557 5.242 4.058 532 HG3 MET 67 3HG MET 67 -0.481 4.055 5.356 533 HE1 MET 67 3HE MET 67 1.486 2.645 4.583 534 HE2 MET 67 1HE MET 67 1.751 3.968 3.446 535 HE3 MET 67 2HE MET 67 1.815 2.294 2.887 536 H VAL 68 H VAL 68 -0.635 6.441 6.266 537 HA VAL 68 HA VAL 68 0.450 4.578 8.046 538 HB VAL 68 HB VAL 68 1.095 7.489 7.598 539 HG11 VAL 68 1HG1 VAL 68 3.146 7.118 8.902 540 HG12 VAL 68 2HG1 VAL 68 2.562 5.517 9.356 541 HG13 VAL 68 3HG1 VAL 68 1.700 6.957 9.898 542 HG21 VAL 68 3HG2 VAL 68 1.645 6.026 5.758 543 HG22 VAL 68 1HG2 VAL 68 2.466 4.909 6.849 544 HG23 VAL 68 2HG2 VAL 68 3.129 6.518 6.573 545 H ASP 69 H ASP 69 -0.884 7.807 8.853 546 HA ASP 69 HA ASP 69 -0.719 7.410 11.635 547 HB2 ASP 69 2HB ASP 69 -0.976 9.632 10.561 548 HB3 ASP 69 3HB ASP 69 -2.642 9.220 10.163 549 H ALA 70 H ALA 70 -3.271 6.718 9.310 550 HA ALA 70 HA ALA 70 -5.333 6.136 11.112 551 HB1 ALA 70 3HB ALA 70 -6.361 4.911 9.285 552 HB2 ALA 70 1HB ALA 70 -4.830 4.912 8.406 553 HB3 ALA 70 2HB ALA 70 -5.675 6.431 8.707 554 H PHE 71 H PHE 71 -3.015 3.884 9.547 555 HA PHE 71 HA PHE 71 -3.961 1.656 11.072 556 HB2 PHE 71 2HB PHE 71 -1.494 2.023 9.372 557 HB3 PHE 71 3HB PHE 71 -1.892 0.511 10.180 558 HD1 PHE 71 HD2 PHE 71 -4.752 0.265 9.788 559 HD2 PHE 71 HD1 PHE 71 -1.759 1.680 7.116 560 HE1 PHE 71 HE2 PHE 71 -6.161 -0.377 7.879 561 HE2 PHE 71 HE1 PHE 71 -3.164 1.041 5.200 562 HZ PHE 71 HZ PHE 71 -5.363 0.008 5.580 563 H LYS 72 H LYS 72 -1.417 3.997 11.429 564 HA LYS 72 HA LYS 72 0.199 2.894 13.381 565 HB2 LYS 72 2HB LYS 72 0.606 5.027 12.202 566 HB3 LYS 72 3HB LYS 72 -0.705 5.769 13.099 567 HG2 LYS 72 2HG LYS 72 0.518 5.601 15.148 568 HG3 LYS 72 3HG LYS 72 1.788 4.659 14.361 569 HD2 LYS 72 2HD LYS 72 2.329 6.555 12.926 570 HD3 LYS 72 3HD LYS 72 1.033 7.497 13.663 571 HE2 LYS 72 2HE LYS 72 3.415 6.400 15.150 572 HE3 LYS 72 3HE LYS 72 3.295 8.045 14.533 573 HZ1 LYS 72 3HZ LYS 72 1.294 8.331 15.927 574 HZ2 LYS 72 1HZ LYS 72 2.700 8.031 16.830 575 HZ3 LYS 72 2HZ LYS 72 1.572 6.799 16.596 576 H GLY 73 H GLY 73 -2.945 4.455 13.696 577 HA2 GLY 73 2HA GLY 73 -2.988 3.567 16.515 578 HA3 GLY 73 3HA GLY 73 -3.771 5.040 15.968 579 H ASN 74 H ASN 74 -3.761 1.807 14.473 580 HA ASN 74 HA ASN 74 -6.526 1.417 15.292 581 HB2 ASN 74 2HB ASN 74 -6.776 2.659 13.205 582 HB3 ASN 74 3HB ASN 74 -5.750 1.498 12.372 583 HD21 ASN 74 1HD2 ASN 74 -7.362 0.976 10.907 584 HD22 ASN 74 2HD2 ASN 74 -8.738 0.026 11.344 585 H LEU 75 H LEU 75 -4.201 0.008 12.929 586 HA LEU 75 HA LEU 75 -5.275 -2.582 13.300 587 HB2 LEU 75 2HB LEU 75 -4.089 -1.912 11.239 588 HB3 LEU 75 3HB LEU 75 -2.581 -1.870 12.139 589 HG LEU 75 HG LEU 75 -2.676 -4.257 12.531 590 HD11 LEU 75 1HD1 LEU 75 -5.304 -4.197 11.059 591 HD12 LEU 75 2HD1 LEU 75 -5.092 -4.469 12.787 592 HD13 LEU 75 3HD1 LEU 75 -4.465 -5.640 11.628 593 HD21 LEU 75 3HD2 LEU 75 -2.622 -5.102 10.197 594 HD22 LEU 75 1HD2 LEU 75 -1.659 -3.646 10.447 595 HD23 LEU 75 2HD2 LEU 75 -3.234 -3.538 9.657 596 H GLU 76 H GLU 76 -2.400 -0.992 14.649 597 HA GLU 76 HA GLU 76 -1.679 -3.265 16.220 598 HB2 GLU 76 2HB GLU 76 -0.098 -1.374 15.675 599 HB3 GLU 76 3HB GLU 76 -1.002 -0.378 16.811 600 HG2 GLU 76 2HG GLU 76 -0.534 -2.265 18.499 601 HG3 GLU 76 3HG GLU 76 0.709 -2.767 17.358 602 H HIS 77 H HIS 77 -3.246 -4.032 17.488 603 HA HIS 77 HA HIS 77 -4.918 -2.266 19.055 604 HB2 HIS 77 2HB HIS 77 -4.749 -5.292 18.959 605 HB3 HIS 77 3HB HIS 77 -5.909 -4.390 19.929 606 HD1 HIS 77 HD1 HIS 77 -7.722 -2.978 18.572 607 HD2 HIS 77 HD2 HIS 77 -5.443 -5.642 16.323 608 HE1 HIS 77 HE1 HIS 77 -8.952 -3.266 16.398 609 HE2 HIS 77 HE2 HIS 77 -7.644 -4.999 15.118 610 H HIS 78 H HIS 78 -5.185 -3.391 21.481 611 HA HIS 78 HA HIS 78 -2.772 -2.508 22.750 612 HB2 HIS 78 2HB HIS 78 -5.332 -3.631 23.883 613 HB3 HIS 78 3HB HIS 78 -3.984 -3.084 24.876 614 HD1 HIS 78 HD1 HIS 78 -7.072 -1.881 24.313 615 HD2 HIS 78 HD2 HIS 78 -3.348 -0.244 23.435 616 HE1 HIS 78 HE1 HIS 78 -7.449 0.598 24.100 617 HE2 HIS 78 HE2 HIS 78 -5.200 1.567 23.507 618 H HIS 79 H HIS 79 -1.559 -4.252 21.573 619 HA HIS 79 HA HIS 79 -1.587 -6.889 22.621 620 HB2 HIS 79 2HB HIS 79 0.559 -7.182 21.496 621 HB3 HIS 79 3HB HIS 79 -0.569 -6.356 20.431 622 HD1 HIS 79 HD1 HIS 79 2.826 -6.290 21.213 623 HD2 HIS 79 HD2 HIS 79 -0.051 -3.315 20.820 624 HE1 HIS 79 HE1 HIS 79 4.101 -4.167 20.790 625 HE2 HIS 79 HE2 HIS 79 2.352 -2.356 20.770 626 H HIS 80 H HIS 80 -0.799 -7.638 24.468 627 HA HIS 80 HA HIS 80 1.045 -5.972 26.007 628 HB2 HIS 80 2HB HIS 80 -0.338 -6.107 28.023 629 HB3 HIS 80 3HB HIS 80 -1.194 -5.282 26.728 630 HD1 HIS 80 HD1 HIS 80 -1.845 -7.574 29.309 631 HD2 HIS 80 HD2 HIS 80 -2.925 -7.386 25.294 632 HE1 HIS 80 HE1 HIS 80 -3.858 -9.069 29.072 633 HE2 HIS 80 HE2 HIS 80 -4.409 -9.052 26.612 634 H HIS 81 H HIS 81 1.937 -7.091 27.880 635 HA HIS 81 HA HIS 81 3.004 -8.828 28.863 636 HB2 HIS 81 2HB HIS 81 0.804 -9.975 28.977 637 HB3 HIS 81 3HB HIS 81 1.091 -10.647 27.377 638 HD1 HIS 81 HD1 HIS 81 2.858 -10.646 30.750 639 HD2 HIS 81 HD2 HIS 81 2.145 -13.129 27.490 640 HE1 HIS 81 HE1 HIS 81 3.884 -12.866 31.350 641 HE2 HIS 81 HE2 HIS 81 3.250 -14.407 29.458 642 H HIS 82 H HIS 82 4.851 -8.289 27.806 643 HA HIS 82 HA HIS 82 5.783 -10.110 25.771 644 HB2 HIS 82 2HB HIS 82 4.640 -8.453 24.386 645 HB3 HIS 82 3HB HIS 82 5.484 -7.146 25.206 646 HD1 HIS 82 HD1 HIS 82 6.102 -9.968 22.772 647 HD2 HIS 82 HD2 HIS 82 7.962 -6.531 24.189 648 HE1 HIS 82 HE1 HIS 82 8.072 -9.587 21.257 649 HE2 HIS 82 HE2 HIS 82 9.028 -7.374 21.989 650 H1 MET 1 1H MET 1 -12.775 -8.763 -12.608 651 H2 MET 1 2H MET 1 -11.510 -9.887 -12.549 652 H3 MET 1 3H MET 1 -13.104 -10.397 -12.312 653 HA MET 1 HA MET 1 -13.684 -9.893 -14.559 654 HB2 MET 1 2HB MET 1 -11.889 -9.204 -16.154 655 HB3 MET 1 3HB MET 1 -12.279 -7.971 -14.965 656 HG2 MET 1 2HG MET 1 -9.955 -9.856 -14.676 657 HG3 MET 1 3HG MET 1 -9.840 -8.289 -15.474 658 HE1 MET 1 3HE MET 1 -8.022 -7.776 -12.002 659 HE2 MET 1 1HE MET 1 -7.840 -7.706 -13.755 660 HE3 MET 1 2HE MET 1 -8.059 -9.261 -12.951 661 H LYS 2 H LYS 2 -13.098 -11.326 -16.415 662 HA LYS 2 HA LYS 2 -12.196 -13.860 -15.365 663 HB2 LYS 2 2HB LYS 2 -14.120 -13.612 -16.952 664 HB3 LYS 2 3HB LYS 2 -12.969 -13.173 -18.207 665 HG2 LYS 2 2HG LYS 2 -11.952 -15.336 -18.120 666 HG3 LYS 2 3HG LYS 2 -12.911 -15.780 -16.709 667 HD2 LYS 2 2HD LYS 2 -14.953 -15.622 -18.051 668 HD3 LYS 2 3HD LYS 2 -13.988 -15.183 -19.462 669 HE2 LYS 2 2HE LYS 2 -12.850 -17.324 -19.383 670 HE3 LYS 2 3HE LYS 2 -13.736 -17.761 -17.923 671 HZ1 LYS 2 3HZ LYS 2 -14.665 -18.755 -19.955 672 HZ2 LYS 2 1HZ LYS 2 -14.996 -17.205 -20.554 673 HZ3 LYS 2 2HZ LYS 2 -15.782 -17.759 -19.158 674 H LYS 3 H LYS 3 -10.705 -11.225 -16.707 675 HA LYS 3 HA LYS 3 -8.509 -12.648 -17.932 676 HB2 LYS 3 2HB LYS 3 -8.993 -9.714 -17.380 677 HB3 LYS 3 3HB LYS 3 -7.496 -10.318 -18.072 678 HG2 LYS 3 2HG LYS 3 -8.839 -9.519 -19.860 679 HG3 LYS 3 3HG LYS 3 -8.847 -11.280 -19.948 680 HD2 LYS 3 2HD LYS 3 -11.033 -11.227 -18.702 681 HD3 LYS 3 3HD LYS 3 -11.026 -9.475 -18.912 682 HE2 LYS 3 2HE LYS 3 -10.901 -11.472 -21.166 683 HE3 LYS 3 3HE LYS 3 -12.378 -10.685 -20.610 684 HZ1 LYS 3 3HZ LYS 3 -9.995 -9.351 -21.788 685 HZ2 LYS 3 1HZ LYS 3 -11.339 -8.535 -21.143 686 HZ3 LYS 3 2HZ LYS 3 -11.523 -9.529 -22.502 687 H MET 4 H MET 4 -6.716 -13.256 -16.923 688 HA MET 4 HA MET 4 -5.265 -13.786 -15.292 689 HB2 MET 4 2HB MET 4 -6.154 -11.129 -14.199 690 HB3 MET 4 3HB MET 4 -4.910 -12.107 -13.432 691 HG2 MET 4 2HG MET 4 -3.652 -12.039 -15.591 692 HG3 MET 4 3HG MET 4 -4.841 -10.877 -16.176 693 HE1 MET 4 3HE MET 4 -5.417 -9.219 -13.468 694 HE2 MET 4 1HE MET 4 -5.227 -8.486 -15.061 695 HE3 MET 4 2HE MET 4 -4.291 -7.881 -13.696 696 H ALA 5 H ALA 5 -5.388 -13.540 -12.502 697 HA ALA 5 HA ALA 5 -7.292 -15.677 -12.075 698 HB1 ALA 5 3HB ALA 5 -6.097 -16.112 -10.032 699 HB2 ALA 5 1HB ALA 5 -5.209 -14.595 -10.189 700 HB3 ALA 5 2HB ALA 5 -4.947 -15.895 -11.352 701 H GLU 6 H GLU 6 -7.103 -12.318 -11.353 702 HA GLU 6 HA GLU 6 -8.842 -12.408 -9.079 703 HB2 GLU 6 2HB GLU 6 -7.812 -10.177 -10.802 704 HB3 GLU 6 3HB GLU 6 -9.094 -9.887 -9.636 705 HG2 GLU 6 2HG GLU 6 -7.252 -9.333 -8.419 706 HG3 GLU 6 3HG GLU 6 -7.465 -11.016 -7.964 707 H PHE 7 H PHE 7 -10.444 -13.769 -9.958 708 HA PHE 7 HA PHE 7 -11.951 -13.044 -12.262 709 HB2 PHE 7 2HB PHE 7 -11.514 -15.387 -11.484 710 HB3 PHE 7 3HB PHE 7 -12.649 -15.104 -10.170 711 HD1 PHE 7 HD1 PHE 7 -12.406 -14.986 -13.875 712 HD2 PHE 7 HD2 PHE 7 -14.885 -15.598 -10.478 713 HE1 PHE 7 HE1 PHE 7 -14.248 -15.683 -15.353 714 HE2 PHE 7 HE2 PHE 7 -16.734 -16.295 -11.943 715 HZ PHE 7 HZ PHE 7 -16.417 -16.339 -14.388 716 H THR 8 H THR 8 -13.405 -13.811 -9.109 717 HA THR 8 HA THR 8 -15.216 -11.542 -9.516 718 HB THR 8 HB THR 8 -16.521 -12.716 -7.621 719 HG1 THR 8 HG1 THR 8 -15.715 -14.527 -6.927 720 HG21 THR 8 3HG2 THR 8 -17.638 -14.205 -9.210 721 HG22 THR 8 1HG2 THR 8 -16.278 -14.045 -10.323 722 HG23 THR 8 2HG2 THR 8 -17.277 -12.643 -9.945 723 H PHE 9 H PHE 9 -15.157 -9.831 -8.223 724 HA PHE 9 HA PHE 9 -13.532 -10.013 -5.786 725 HB2 PHE 9 2HB PHE 9 -12.990 -7.575 -6.179 726 HB3 PHE 9 3HB PHE 9 -12.262 -8.709 -7.306 727 HD1 PHE 9 HD2 PHE 9 -13.101 -8.864 -9.621 728 HD2 PHE 9 HD1 PHE 9 -14.533 -5.911 -6.905 729 HE1 PHE 9 HE2 PHE 9 -14.006 -7.570 -11.506 730 HE2 PHE 9 HE1 PHE 9 -15.439 -4.614 -8.788 731 HZ PHE 9 HZ PHE 9 -15.174 -5.442 -11.093 732 H GLU 10 H GLU 10 -14.583 -9.657 -3.995 733 HA GLU 10 HA GLU 10 -17.102 -8.114 -4.076 734 HB2 GLU 10 2HB GLU 10 -16.433 -10.347 -2.156 735 HB3 GLU 10 3HB GLU 10 -18.001 -9.600 -2.429 736 HG2 GLU 10 2HG GLU 10 -18.239 -10.637 -4.534 737 HG3 GLU 10 3HG GLU 10 -16.550 -11.141 -4.558 738 H ILE 11 H ILE 11 -16.891 -6.217 -2.973 739 HA ILE 11 HA ILE 11 -14.722 -5.843 -1.116 740 HB ILE 11 HB ILE 11 -17.063 -3.996 -1.633 741 HG12 ILE 11 2HG1 ILE 11 -14.278 -3.991 -2.833 742 HG13 ILE 11 3HG1 ILE 11 -15.742 -4.485 -3.679 743 HG21 ILE 11 1HG2 ILE 11 -14.364 -3.493 -0.368 744 HG22 ILE 11 2HG2 ILE 11 -15.911 -3.548 0.476 745 HG23 ILE 11 3HG2 ILE 11 -15.590 -2.269 -0.694 746 HD11 ILE 11 3HD1 ILE 11 -15.192 -1.734 -2.592 747 HD12 ILE 11 1HD1 ILE 11 -16.629 -2.233 -3.487 748 HD13 ILE 11 2HD1 ILE 11 -15.054 -2.226 -4.280 749 H GLU 12 H GLU 12 -14.875 -7.016 0.684 750 HA GLU 12 HA GLU 12 -17.421 -7.341 2.044 751 HB2 GLU 12 2HB GLU 12 -14.668 -8.454 2.601 752 HB3 GLU 12 3HB GLU 12 -16.094 -8.823 3.562 753 HG2 GLU 12 2HG GLU 12 -15.830 -9.397 0.621 754 HG3 GLU 12 3HG GLU 12 -15.513 -10.566 1.905 755 H GLU 13 H GLU 13 -14.196 -6.061 2.764 756 HA GLU 13 HA GLU 13 -15.368 -4.572 5.019 757 HB2 GLU 13 2HB GLU 13 -14.014 -6.493 5.787 758 HB3 GLU 13 3HB GLU 13 -12.636 -5.858 4.901 759 HG2 GLU 13 2HG GLU 13 -12.706 -3.833 6.326 760 HG3 GLU 13 3HG GLU 13 -14.005 -4.583 7.257 761 H HIS 14 H HIS 14 -15.097 -2.445 4.876 762 HA HIS 14 HA HIS 14 -13.122 -1.388 2.985 763 HB2 HIS 14 2HB HIS 14 -15.437 -0.641 2.674 764 HB3 HIS 14 3HB HIS 14 -15.490 -0.063 4.334 765 HD1 HIS 14 HD1 HIS 14 -14.937 2.331 4.657 766 HD2 HIS 14 HD2 HIS 14 -13.478 0.869 1.048 767 HE1 HIS 14 HE1 HIS 14 -13.969 4.320 3.464 768 HE2 HIS 14 HE2 HIS 14 -13.336 3.454 1.180 769 H LEU 15 H LEU 15 -11.281 -0.537 3.739 770 HA LEU 15 HA LEU 15 -11.032 -0.214 6.635 771 HB2 LEU 15 2HB LEU 15 -8.944 -0.444 4.471 772 HB3 LEU 15 3HB LEU 15 -8.581 -0.198 6.169 773 HG LEU 15 HG LEU 15 -10.037 -2.604 5.061 774 HD11 LEU 15 1HD1 LEU 15 -7.965 -3.818 5.517 775 HD12 LEU 15 2HD1 LEU 15 -7.176 -2.304 5.962 776 HD13 LEU 15 3HD1 LEU 15 -7.723 -2.560 4.304 777 HD21 LEU 15 3HD2 LEU 15 -8.908 -2.046 7.800 778 HD22 LEU 15 1HD2 LEU 15 -9.661 -3.550 7.275 779 HD23 LEU 15 2HD2 LEU 15 -10.619 -2.070 7.375 780 H LEU 16 H LEU 16 -9.562 1.482 3.841 781 HA LEU 16 HA LEU 16 -9.959 3.999 5.317 782 HB2 LEU 16 2HB LEU 16 -7.401 3.050 4.035 783 HB3 LEU 16 3HB LEU 16 -7.673 4.688 4.596 784 HG LEU 16 HG LEU 16 -7.624 2.220 6.333 785 HD11 LEU 16 1HD1 LEU 16 -5.552 3.159 7.199 786 HD12 LEU 16 2HD1 LEU 16 -5.670 4.497 6.057 787 HD13 LEU 16 3HD1 LEU 16 -5.428 2.854 5.467 788 HD21 LEU 16 3HD2 LEU 16 -9.161 3.940 7.155 789 HD22 LEU 16 1HD2 LEU 16 -7.864 5.131 7.070 790 HD23 LEU 16 2HD2 LEU 16 -7.743 3.776 8.193 791 H THR 17 H THR 17 -10.284 5.803 4.095 792 HA THR 17 HA THR 17 -10.229 5.495 1.173 793 HB THR 17 HB THR 17 -11.537 7.691 2.806 794 HG1 THR 17 HG1 THR 17 -12.876 5.642 1.348 795 HG21 THR 17 3HG2 THR 17 -12.642 8.285 0.702 796 HG22 THR 17 1HG2 THR 17 -11.761 7.003 -0.129 797 HG23 THR 17 2HG2 THR 17 -10.888 8.383 0.535 798 H LEU 18 H LEU 18 -8.204 5.984 0.518 799 HA LEU 18 HA LEU 18 -6.458 7.612 2.062 800 HB2 LEU 18 2HB LEU 18 -6.142 6.561 -0.748 801 HB3 LEU 18 3HB LEU 18 -4.866 7.283 0.210 802 HG LEU 18 HG LEU 18 -6.314 4.720 0.875 803 HD11 LEU 18 1HD1 LEU 18 -4.183 3.653 0.333 804 HD12 LEU 18 2HD1 LEU 18 -3.526 5.212 -0.164 805 HD13 LEU 18 3HD1 LEU 18 -4.862 4.489 -1.064 806 HD21 LEU 18 3HD2 LEU 18 -5.607 5.914 2.875 807 HD22 LEU 18 1HD2 LEU 18 -3.981 6.091 2.212 808 HD23 LEU 18 2HD2 LEU 18 -4.599 4.489 2.618 809 H SER 19 H SER 19 -7.559 8.030 -1.304 810 HA SER 19 HA SER 19 -7.830 10.874 -0.897 811 HB2 SER 19 2HB SER 19 -5.408 10.631 -1.252 812 HB3 SER 19 3HB SER 19 -5.716 9.764 -2.756 813 HG SER 19 HG SER 19 -5.588 11.686 -3.585 814 H GLU 20 H GLU 20 -8.928 11.895 -2.545 815 HA GLU 20 HA GLU 20 -10.145 10.137 -4.566 816 HB2 GLU 20 2HB GLU 20 -11.508 11.537 -2.835 817 HB3 GLU 20 3HB GLU 20 -11.071 12.910 -3.836 818 HG2 GLU 20 2HG GLU 20 -12.458 10.502 -4.955 819 HG3 GLU 20 3HG GLU 20 -13.335 11.843 -4.225 820 H ASN 21 H ASN 21 -8.887 10.228 -6.370 821 HA ASN 21 HA ASN 21 -7.682 12.832 -7.024 822 HB2 ASN 21 2HB ASN 21 -5.783 11.635 -7.996 823 HB3 ASN 21 3HB ASN 21 -5.996 11.208 -6.304 824 HD21 ASN 21 1HD2 ASN 21 -6.164 10.115 -9.582 825 HD22 ASN 21 2HD2 ASN 21 -6.316 8.429 -9.223 826 H GLU 22 H GLU 22 -7.390 13.368 -9.203 827 HA GLU 22 HA GLU 22 -7.965 13.608 -11.378 828 HB2 GLU 22 2HB GLU 22 -7.207 11.109 -11.282 829 HB3 GLU 22 3HB GLU 22 -8.918 10.768 -11.490 830 HG2 GLU 22 2HG GLU 22 -7.848 10.712 -13.620 831 HG3 GLU 22 3HG GLU 22 -8.901 12.123 -13.545 832 H LYS 23 H LYS 23 -10.005 13.260 -8.987 833 HA LYS 23 HA LYS 23 -12.191 13.528 -8.565 834 HB2 LYS 23 2HB LYS 23 -12.125 15.051 -11.168 835 HB3 LYS 23 3HB LYS 23 -13.345 15.207 -9.907 836 HG2 LYS 23 2HG LYS 23 -11.472 15.843 -8.344 837 HG3 LYS 23 3HG LYS 23 -10.435 15.950 -9.767 838 HD2 LYS 23 2HD LYS 23 -11.947 17.634 -10.717 839 HD3 LYS 23 3HD LYS 23 -12.954 17.538 -9.269 840 HE2 LYS 23 2HE LYS 23 -10.073 18.423 -9.406 841 HE3 LYS 23 3HE LYS 23 -11.477 19.451 -9.127 842 HZ1 LYS 23 3HZ LYS 23 -11.889 18.239 -7.061 843 HZ2 LYS 23 1HZ LYS 23 -10.353 18.952 -7.060 844 HZ3 LYS 23 2HZ LYS 23 -10.515 17.290 -7.329 845 H GLY 24 H GLY 24 -12.659 11.375 -8.687 846 HA2 GLY 24 2HA GLY 24 -14.731 10.249 -9.682 847 HA3 GLY 24 3HA GLY 24 -13.864 10.416 -11.206 848 H TRP 25 H TRP 25 -11.281 9.985 -9.755 849 HA TRP 25 HA TRP 25 -11.452 7.053 -9.708 850 HB2 TRP 25 2HB TRP 25 -9.139 8.918 -10.290 851 HB3 TRP 25 3HB TRP 25 -8.955 7.178 -10.101 852 HD1 TRP 25 HD1 TRP 25 -11.272 9.446 -12.264 853 HE1 TRP 25 HE1 TRP 25 -11.373 8.438 -14.635 854 HE3 TRP 25 HE3 TRP 25 -8.187 5.432 -11.557 855 HZ2 TRP 25 HZ2 TRP 25 -10.271 6.238 -16.016 856 HZ3 TRP 25 HZ3 TRP 25 -7.756 3.931 -13.459 857 HH2 TRP 25 HH2 TRP 25 -8.783 4.326 -15.637 858 H THR 26 H THR 26 -11.961 6.647 -7.602 859 HA THR 26 HA THR 26 -10.549 8.044 -5.483 860 HB THR 26 HB THR 26 -12.488 5.777 -5.065 861 HG1 THR 26 HG1 THR 26 -13.983 6.957 -5.965 862 HG21 THR 26 3HG2 THR 26 -11.833 8.273 -3.497 863 HG22 THR 26 1HG2 THR 26 -11.344 6.628 -3.093 864 HG23 THR 26 2HG2 THR 26 -13.049 7.079 -3.045 865 H LYS 27 H LYS 27 -8.987 7.171 -4.209 866 HA LYS 27 HA LYS 27 -8.166 4.403 -4.807 867 HB2 LYS 27 2HB LYS 27 -6.600 6.170 -5.611 868 HB3 LYS 27 3HB LYS 27 -6.420 6.718 -3.953 869 HG2 LYS 27 2HG LYS 27 -5.272 4.772 -3.319 870 HG3 LYS 27 3HG LYS 27 -5.749 3.917 -4.790 871 HD2 LYS 27 2HD LYS 27 -3.394 4.677 -4.844 872 HD3 LYS 27 3HD LYS 27 -4.370 5.381 -6.135 873 HE2 LYS 27 2HE LYS 27 -4.642 7.420 -4.760 874 HE3 LYS 27 3HE LYS 27 -3.580 6.709 -3.547 875 HZ1 LYS 27 3HZ LYS 27 -1.823 6.619 -5.253 876 HZ2 LYS 27 1HZ LYS 27 -2.338 8.203 -4.923 877 HZ3 LYS 27 2HZ LYS 27 -2.848 7.415 -6.341 878 H GLU 28 H GLU 28 -8.448 3.060 -3.150 879 HA GLU 28 HA GLU 28 -8.454 4.156 -0.427 880 HB2 GLU 28 2HB GLU 28 -10.627 2.424 -1.614 881 HB3 GLU 28 3HB GLU 28 -10.516 2.897 0.075 882 HG2 GLU 28 2HG GLU 28 -10.760 5.246 -0.576 883 HG3 GLU 28 3HG GLU 28 -10.901 4.755 -2.263 884 H ILE 29 H ILE 29 -8.653 2.392 1.215 885 HA ILE 29 HA ILE 29 -7.215 -0.041 0.362 886 HB ILE 29 HB ILE 29 -7.109 1.320 3.074 887 HG12 ILE 29 2HG1 ILE 29 -4.999 1.044 0.919 888 HG13 ILE 29 3HG1 ILE 29 -5.829 2.530 1.368 889 HG21 ILE 29 1HG2 ILE 29 -5.398 -0.362 3.616 890 HG22 ILE 29 2HG2 ILE 29 -5.688 -1.147 2.065 891 HG23 ILE 29 3HG2 ILE 29 -6.965 -1.099 3.280 892 HD11 ILE 29 3HD1 ILE 29 -3.603 2.454 2.317 893 HD12 ILE 29 1HD1 ILE 29 -3.984 0.937 3.130 894 HD13 ILE 29 2HD1 ILE 29 -4.823 2.420 3.591 895 H ASN 30 H ASN 30 -8.108 -1.986 0.978 896 HA ASN 30 HA ASN 30 -10.173 -2.188 2.936 897 HB2 ASN 30 2HB ASN 30 -12.070 -2.624 1.540 898 HB3 ASN 30 3HB ASN 30 -11.394 -1.085 1.027 899 HD21 ASN 30 1HD2 ASN 30 -9.191 -2.295 -0.430 900 HD22 ASN 30 2HD2 ASN 30 -9.858 -3.028 -1.841 901 H ARG 31 H ARG 31 -11.408 -4.458 2.366 902 HA ARG 31 HA ARG 31 -9.339 -6.331 1.445 903 HB2 ARG 31 2HB ARG 31 -11.197 -6.641 3.799 904 HB3 ARG 31 3HB ARG 31 -10.329 -7.989 3.077 905 HG2 ARG 31 2HG ARG 31 -8.216 -6.613 3.495 906 HG3 ARG 31 3HG ARG 31 -9.226 -5.626 4.554 907 HD2 ARG 31 2HD ARG 31 -8.839 -8.606 4.785 908 HD3 ARG 31 3HD ARG 31 -8.017 -7.394 5.764 909 HE ARG 31 HE ARG 31 -10.317 -6.748 6.544 910 HH11 ARG 31 1HH1 ARG 31 -9.626 -9.982 5.372 911 HH12 ARG 31 2HH1 ARG 31 -10.846 -10.739 6.355 912 HH21 ARG 31 1HH2 ARG 31 -11.909 -7.730 7.842 913 HH22 ARG 31 2HH2 ARG 31 -12.141 -9.456 7.771 914 H VAL 32 H VAL 32 -9.952 -7.215 -0.362 915 HA VAL 32 HA VAL 32 -12.806 -7.503 -0.939 916 HB VAL 32 HB VAL 32 -10.380 -7.509 -2.735 917 HG11 VAL 32 1HG1 VAL 32 -11.917 -7.736 -4.626 918 HG12 VAL 32 2HG1 VAL 32 -13.265 -7.942 -3.510 919 HG13 VAL 32 3HG1 VAL 32 -11.985 -9.152 -3.577 920 HG21 VAL 32 3HG2 VAL 32 -11.086 -5.310 -1.998 921 HG22 VAL 32 1HG2 VAL 32 -12.746 -5.651 -2.486 922 HG23 VAL 32 2HG2 VAL 32 -11.478 -5.520 -3.704 923 H SER 33 H SER 33 -13.778 -9.374 -1.242 924 HA SER 33 HA SER 33 -12.423 -11.873 -0.745 925 HB2 SER 33 2HB SER 33 -14.644 -11.565 0.173 926 HB3 SER 33 3HB SER 33 -15.288 -11.131 -1.407 927 HG SER 33 HG SER 33 -15.551 -13.160 -1.831 928 H PHE 34 H PHE 34 -11.409 -12.959 -2.333 929 HA PHE 34 HA PHE 34 -12.203 -12.415 -5.111 930 HB2 PHE 34 2HB PHE 34 -9.596 -13.457 -3.989 931 HB3 PHE 34 3HB PHE 34 -9.953 -13.336 -5.708 932 HD1 PHE 34 HD1 PHE 34 -10.441 -11.056 -6.672 933 HD2 PHE 34 HD2 PHE 34 -8.787 -11.622 -2.797 934 HE1 PHE 34 HE1 PHE 34 -9.633 -8.731 -6.684 935 HE2 PHE 34 HE2 PHE 34 -7.975 -9.299 -2.800 936 HZ PHE 34 HZ PHE 34 -8.396 -7.853 -4.745 937 H ASN 35 H ASN 35 -13.631 -13.864 -5.754 938 HA ASN 35 HA ASN 35 -14.661 -15.831 -6.223 939 HB2 ASN 35 2HB ASN 35 -11.962 -17.072 -5.628 940 HB3 ASN 35 3HB ASN 35 -13.315 -17.896 -6.395 941 HD21 ASN 35 1HD2 ASN 35 -10.676 -15.740 -6.824 942 HD22 ASN 35 2HD2 ASN 35 -10.846 -15.539 -8.534 943 H GLY 36 H GLY 36 -14.227 -14.769 -3.402 944 HA2 GLY 36 2HA GLY 36 -15.490 -15.534 -1.502 945 HA3 GLY 36 3HA GLY 36 -15.106 -17.187 -1.971 946 H ALA 37 H ALA 37 -14.241 -17.675 0.052 947 HA ALA 37 HA ALA 37 -12.527 -18.068 1.490 948 HB1 ALA 37 3HB ALA 37 -10.239 -17.566 0.784 949 HB2 ALA 37 1HB ALA 37 -10.861 -16.578 -0.538 950 HB3 ALA 37 2HB ALA 37 -11.162 -18.316 -0.519 951 HA PRO 38 HA PRO 38 -11.930 -14.579 4.237 952 HB2 PRO 38 2HB PRO 38 -8.993 -15.046 4.183 953 HB3 PRO 38 3HB PRO 38 -10.088 -14.917 5.565 954 HG2 PRO 38 2HG PRO 38 -9.139 -17.281 4.806 955 HG3 PRO 38 3HG PRO 38 -10.817 -17.111 5.356 956 HD2 PRO 38 2HD PRO 38 -9.748 -17.392 2.578 957 HD3 PRO 38 3HD PRO 38 -11.223 -18.076 3.294 958 H ALA 39 H ALA 39 -12.022 -12.530 3.672 959 HA ALA 39 HA ALA 39 -11.271 -11.511 1.219 960 HB1 ALA 39 3HB ALA 39 -11.771 -9.315 2.122 961 HB2 ALA 39 1HB ALA 39 -11.676 -9.951 3.763 962 HB3 ALA 39 2HB ALA 39 -12.955 -10.498 2.680 963 H LYS 40 H LYS 40 -9.465 -10.836 0.345 964 HA LYS 40 HA LYS 40 -7.012 -10.859 1.902 965 HB2 LYS 40 2HB LYS 40 -7.289 -11.943 -0.385 966 HB3 LYS 40 3HB LYS 40 -7.359 -10.321 -1.053 967 HG2 LYS 40 2HG LYS 40 -5.159 -10.849 -1.389 968 HG3 LYS 40 3HG LYS 40 -5.069 -10.026 0.170 969 HD2 LYS 40 2HD LYS 40 -5.363 -13.013 -0.050 970 HD3 LYS 40 3HD LYS 40 -3.786 -12.223 -0.081 971 HE2 LYS 40 2HE LYS 40 -4.105 -11.343 2.113 972 HE3 LYS 40 3HE LYS 40 -5.796 -11.841 2.132 973 HZ1 LYS 40 3HZ LYS 40 -3.559 -13.783 1.908 974 HZ2 LYS 40 1HZ LYS 40 -5.188 -14.095 2.274 975 HZ3 LYS 40 2HZ LYS 40 -4.204 -13.293 3.400 976 H PHE 41 H PHE 41 -5.529 -9.053 1.899 977 HA PHE 41 HA PHE 41 -6.887 -6.508 2.051 978 HB2 PHE 41 2HB PHE 41 -3.963 -7.202 2.460 979 HB3 PHE 41 3HB PHE 41 -4.709 -5.656 2.845 980 HD1 PHE 41 HD1 PHE 41 -4.939 -9.285 3.669 981 HD2 PHE 41 HD2 PHE 41 -5.500 -5.272 4.987 982 HE1 PHE 41 HE1 PHE 41 -5.429 -10.099 5.937 983 HE2 PHE 41 HE2 PHE 41 -5.995 -6.085 7.250 984 HZ PHE 41 HZ PHE 41 -5.958 -8.498 7.731 985 H ASP 42 H ASP 42 -6.931 -5.007 0.457 986 HA ASP 42 HA ASP 42 -4.816 -5.105 -1.568 987 HB2 ASP 42 2HB ASP 42 -6.409 -4.860 -3.402 988 HB3 ASP 42 3HB ASP 42 -6.719 -6.344 -2.514 989 H ILE 43 H ILE 43 -4.080 -3.211 -2.210 990 HA ILE 43 HA ILE 43 -5.570 -0.774 -1.455 991 HB ILE 43 HB ILE 43 -2.582 -1.018 -1.887 992 HG12 ILE 43 2HG1 ILE 43 -4.107 -0.796 0.723 993 HG13 ILE 43 3HG1 ILE 43 -3.334 -2.263 0.131 994 HG21 ILE 43 1HG2 ILE 43 -2.489 1.216 -0.912 995 HG22 ILE 43 2HG2 ILE 43 -4.244 1.229 -0.742 996 HG23 ILE 43 3HG2 ILE 43 -3.515 1.201 -2.347 997 HD11 ILE 43 3HD1 ILE 43 -1.158 -1.157 0.252 998 HD12 ILE 43 1HD1 ILE 43 -1.974 -1.181 1.816 999 HD13 ILE 43 2HD1 ILE 43 -1.939 0.301 0.861 1000 H ARG 44 H ARG 44 -6.478 0.137 -3.197 1001 HA ARG 44 HA ARG 44 -5.024 0.505 -5.634 1002 HB2 ARG 44 2HB ARG 44 -6.765 -0.804 -7.007 1003 HB3 ARG 44 3HB ARG 44 -5.487 -1.704 -6.207 1004 HG2 ARG 44 2HG ARG 44 -7.481 -2.921 -5.880 1005 HG3 ARG 44 3HG ARG 44 -7.106 -2.154 -4.340 1006 HD2 ARG 44 2HD ARG 44 -8.712 -0.348 -4.916 1007 HD3 ARG 44 3HD ARG 44 -9.150 -1.258 -6.362 1008 HE ARG 44 HE ARG 44 -9.376 -2.879 -4.031 1009 HH11 ARG 44 1HH1 ARG 44 -10.984 -0.295 -5.781 1010 HH12 ARG 44 2HH1 ARG 44 -12.559 -0.691 -5.182 1011 HH21 ARG 44 1HH2 ARG 44 -11.446 -3.400 -3.235 1012 HH22 ARG 44 2HH2 ARG 44 -12.822 -2.464 -3.719 1013 H ALA 45 H ALA 45 -6.680 1.216 -7.435 1014 HA ALA 45 HA ALA 45 -8.532 3.105 -6.136 1015 HB1 ALA 45 3HB ALA 45 -7.038 3.445 -8.739 1016 HB2 ALA 45 1HB ALA 45 -6.627 4.215 -7.203 1017 HB3 ALA 45 2HB ALA 45 -8.141 4.614 -8.015 1018 H TRP 46 H TRP 46 -10.490 3.615 -7.261 1019 HA TRP 46 HA TRP 46 -11.219 1.762 -9.419 1020 HB2 TRP 46 2HB TRP 46 -13.515 1.590 -8.490 1021 HB3 TRP 46 3HB TRP 46 -12.294 0.873 -7.447 1022 HD1 TRP 46 HD1 TRP 46 -11.838 2.067 -5.090 1023 HE1 TRP 46 HE1 TRP 46 -13.258 3.698 -3.684 1024 HE3 TRP 46 HE3 TRP 46 -15.146 3.561 -8.698 1025 HZ2 TRP 46 HZ2 TRP 46 -15.475 5.386 -4.072 1026 HZ3 TRP 46 HZ3 TRP 46 -16.886 5.190 -8.094 1027 HH2 TRP 46 HH2 TRP 46 -17.045 6.083 -5.828 1028 H SER 47 H SER 47 -12.983 2.565 -10.789 1029 HA SER 47 HA SER 47 -12.752 5.497 -11.005 1030 HB2 SER 47 2HB SER 47 -13.020 3.634 -13.345 1031 HB3 SER 47 3HB SER 47 -12.364 5.272 -13.304 1032 HG SER 47 HG SER 47 -10.893 3.917 -11.653 1033 HA PRO 48 HA PRO 48 -17.092 6.094 -11.490 1034 HB2 PRO 48 2HB PRO 48 -16.696 7.154 -14.236 1035 HB3 PRO 48 3HB PRO 48 -17.466 7.909 -12.836 1036 HG2 PRO 48 2HG PRO 48 -15.050 8.685 -13.633 1037 HG3 PRO 48 3HG PRO 48 -15.445 8.555 -11.907 1038 HD2 PRO 48 2HD PRO 48 -13.868 6.691 -13.639 1039 HD3 PRO 48 3HD PRO 48 -13.571 7.189 -11.960 1040 H ASP 49 H ASP 49 -17.985 4.157 -11.586 1041 HA ASP 49 HA ASP 49 -19.646 3.355 -13.548 1042 HB2 ASP 49 2HB ASP 49 -17.743 2.878 -15.052 1043 HB3 ASP 49 3HB ASP 49 -17.046 1.806 -13.843 1044 H HIS 50 H HIS 50 -17.224 1.260 -12.139 1045 HA HIS 50 HA HIS 50 -18.759 0.721 -9.753 1046 HB2 HIS 50 2HB HIS 50 -18.194 -1.448 -11.797 1047 HB3 HIS 50 3HB HIS 50 -18.616 -1.777 -10.121 1048 HD1 HIS 50 HD1 HIS 50 -20.061 -0.701 -13.383 1049 HD2 HIS 50 HD2 HIS 50 -21.319 -1.356 -9.469 1050 HE1 HIS 50 HE1 HIS 50 -22.581 -0.735 -13.471 1051 HE2 HIS 50 HE2 HIS 50 -23.319 -1.197 -11.101 1052 H THR 51 H THR 51 -16.104 -0.313 -11.841 1053 HA THR 51 HA THR 51 -14.188 0.333 -9.760 1054 HB THR 51 HB THR 51 -14.235 -2.435 -10.985 1055 HG1 THR 51 HG1 THR 51 -15.476 -1.401 -8.786 1056 HG21 THR 51 3HG2 THR 51 -12.444 -2.922 -9.389 1057 HG22 THR 51 1HG2 THR 51 -12.484 -1.250 -8.825 1058 HG23 THR 51 2HG2 THR 51 -11.979 -1.615 -10.476 1059 H LYS 52 H LYS 52 -14.856 -0.776 -13.040 1060 HA LYS 52 HA LYS 52 -13.910 -0.356 -15.055 1061 HB2 LYS 52 2HB LYS 52 -13.753 2.031 -14.149 1062 HB3 LYS 52 3HB LYS 52 -12.087 1.664 -13.746 1063 HG2 LYS 52 2HG LYS 52 -11.763 1.084 -16.186 1064 HG3 LYS 52 3HG LYS 52 -13.347 1.807 -16.469 1065 HD2 LYS 52 2HD LYS 52 -12.457 3.871 -15.299 1066 HD3 LYS 52 3HD LYS 52 -10.861 3.129 -15.404 1067 HE2 LYS 52 2HE LYS 52 -10.979 4.527 -17.273 1068 HE3 LYS 52 3HE LYS 52 -11.322 2.918 -17.908 1069 HZ1 LYS 52 3HZ LYS 52 -12.875 4.441 -18.839 1070 HZ2 LYS 52 1HZ LYS 52 -13.284 5.069 -17.316 1071 HZ3 LYS 52 2HZ LYS 52 -13.722 3.485 -17.724 1072 H MET 53 H MET 53 -11.041 0.378 -13.126 1073 HA MET 53 HA MET 53 -9.872 -2.214 -13.729 1074 HB2 MET 53 2HB MET 53 -8.707 0.400 -14.701 1075 HB3 MET 53 3HB MET 53 -7.759 -1.071 -14.550 1076 HG2 MET 53 2HG MET 53 -9.198 -2.178 -16.169 1077 HG3 MET 53 3HG MET 53 -10.181 -0.721 -16.304 1078 HE1 MET 53 3HE MET 53 -8.301 -0.867 -19.749 1079 HE2 MET 53 1HE MET 53 -9.871 -0.776 -18.953 1080 HE3 MET 53 2HE MET 53 -8.890 -2.234 -18.802 1081 H GLY 54 H GLY 54 -9.108 -2.885 -11.831 1082 HA2 GLY 54 2HA GLY 54 -8.554 -0.942 -9.745 1083 HA3 GLY 54 3HA GLY 54 -8.609 -2.688 -9.557 1084 H LYS 55 H LYS 55 -6.632 0.004 -10.704 1085 HA LYS 55 HA LYS 55 -4.263 -1.632 -10.889 1086 HB2 LYS 55 2HB LYS 55 -4.504 1.386 -10.842 1087 HB3 LYS 55 3HB LYS 55 -3.057 0.478 -11.248 1088 HG2 LYS 55 2HG LYS 55 -4.361 -0.517 -13.162 1089 HG3 LYS 55 3HG LYS 55 -5.611 0.677 -12.810 1090 HD2 LYS 55 2HD LYS 55 -3.813 2.442 -13.030 1091 HD3 LYS 55 3HD LYS 55 -2.765 1.170 -13.660 1092 HE2 LYS 55 2HE LYS 55 -3.683 2.228 -15.550 1093 HE3 LYS 55 3HE LYS 55 -4.580 0.722 -15.370 1094 HZ1 LYS 55 3HZ LYS 55 -6.158 2.405 -15.800 1095 HZ2 LYS 55 1HZ LYS 55 -5.469 3.459 -14.657 1096 HZ3 LYS 55 2HZ LYS 55 -6.286 2.069 -14.138 1097 H GLY 56 H GLY 56 -3.241 -2.354 -9.169 1098 HA2 GLY 56 2HA GLY 56 -2.229 -0.793 -7.108 1099 HA3 GLY 56 3HA GLY 56 -3.761 -1.448 -6.540 1100 H ILE 57 H ILE 57 -2.653 -2.664 -4.942 1101 HA ILE 57 HA ILE 57 -1.468 -5.119 -6.019 1102 HB ILE 57 HB ILE 57 0.431 -3.726 -5.421 1103 HG12 ILE 57 2HG1 ILE 57 -0.033 -5.906 -3.375 1104 HG13 ILE 57 3HG1 ILE 57 0.585 -6.146 -5.006 1105 HG21 ILE 57 1HG2 ILE 57 -0.802 -3.570 -2.674 1106 HG22 ILE 57 2HG2 ILE 57 -0.643 -2.245 -3.826 1107 HG23 ILE 57 3HG2 ILE 57 0.797 -2.971 -3.118 1108 HD11 ILE 57 3HD1 ILE 57 1.940 -4.599 -2.810 1109 HD12 ILE 57 1HD1 ILE 57 2.560 -4.823 -4.446 1110 HD13 ILE 57 2HD1 ILE 57 2.372 -6.213 -3.374 1111 H THR 58 H THR 58 -2.051 -6.934 -4.978 1112 HA THR 58 HA THR 58 -3.708 -6.687 -2.572 1113 HB THR 58 HB THR 58 -4.263 -9.128 -3.106 1114 HG1 THR 58 HG1 THR 58 -3.215 -9.981 -4.725 1115 HG21 THR 58 3HG2 THR 58 -5.038 -7.017 -5.122 1116 HG22 THR 58 1HG2 THR 58 -5.815 -7.290 -3.562 1117 HG23 THR 58 2HG2 THR 58 -5.903 -8.523 -4.818 1118 H LEU 59 H LEU 59 -3.055 -7.582 -0.663 1119 HA LEU 59 HA LEU 59 -0.658 -9.203 -0.640 1120 HB2 LEU 59 2HB LEU 59 0.597 -7.764 0.839 1121 HB3 LEU 59 3HB LEU 59 0.245 -6.959 -0.667 1122 HG LEU 59 HG LEU 59 0.087 -5.312 0.979 1123 HD11 LEU 59 1HD1 LEU 59 -2.737 -6.187 0.462 1124 HD12 LEU 59 2HD1 LEU 59 -1.753 -5.134 -0.555 1125 HD13 LEU 59 3HD1 LEU 59 -2.238 -4.603 1.055 1126 HD21 LEU 59 3HD2 LEU 59 0.058 -6.795 2.904 1127 HD22 LEU 59 1HD2 LEU 59 -1.648 -7.132 2.619 1128 HD23 LEU 59 2HD2 LEU 59 -1.132 -5.501 3.050 1129 H SER 60 H SER 60 -0.033 -9.720 1.760 1130 HA SER 60 HA SER 60 -2.532 -10.851 2.787 1131 HB2 SER 60 2HB SER 60 -0.623 -12.336 2.104 1132 HB3 SER 60 3HB SER 60 0.299 -11.667 3.451 1133 HG SER 60 HG SER 60 -0.628 -13.465 4.270 1134 H ASN 61 H ASN 61 -2.390 -11.386 5.226 1135 HA ASN 61 HA ASN 61 -2.627 -8.935 6.612 1136 HB2 ASN 61 2HB ASN 61 -3.737 -11.246 7.046 1137 HB3 ASN 61 3HB ASN 61 -2.288 -11.597 7.975 1138 HD21 ASN 61 1HD2 ASN 61 -2.024 -8.840 8.962 1139 HD22 ASN 61 2HD2 ASN 61 -3.273 -8.653 10.146 1140 H GLU 62 H GLU 62 -0.007 -11.186 6.231 1141 HA GLU 62 HA GLU 62 1.553 -10.551 8.468 1142 HB2 GLU 62 2HB GLU 62 1.865 -12.483 6.868 1143 HB3 GLU 62 3HB GLU 62 2.583 -11.343 5.738 1144 HG2 GLU 62 2HG GLU 62 4.310 -12.522 6.934 1145 HG3 GLU 62 3HG GLU 62 4.317 -10.817 7.389 1146 H GLU 63 H GLU 63 1.953 -9.424 5.110 1147 HA GLU 63 HA GLU 63 3.892 -7.479 5.600 1148 HB2 GLU 63 2HB GLU 63 1.745 -7.293 3.487 1149 HB3 GLU 63 3HB GLU 63 3.338 -6.558 3.447 1150 HG2 GLU 63 2HG GLU 63 3.678 -8.322 2.069 1151 HG3 GLU 63 3HG GLU 63 4.137 -9.047 3.607 1152 H PHE 64 H PHE 64 0.380 -7.283 5.673 1153 HA PHE 64 HA PHE 64 0.071 -4.524 5.851 1154 HB2 PHE 64 2HB PHE 64 -1.610 -6.663 5.832 1155 HB3 PHE 64 3HB PHE 64 -1.763 -6.140 7.507 1156 HD1 PHE 64 HD1 PHE 64 -1.950 -4.910 4.014 1157 HD2 PHE 64 HD2 PHE 64 -3.157 -4.367 8.054 1158 HE1 PHE 64 HE1 PHE 64 -3.524 -3.159 3.302 1159 HE2 PHE 64 HE2 PHE 64 -4.733 -2.617 7.352 1160 HZ PHE 64 HZ PHE 64 -4.922 -2.013 4.970 1161 H GLN 65 H GLN 65 0.454 -6.909 8.461 1162 HA GLN 65 HA GLN 65 0.420 -5.003 10.557 1163 HB2 GLN 65 2HB GLN 65 -0.031 -7.387 10.932 1164 HB3 GLN 65 3HB GLN 65 1.626 -7.777 10.501 1165 HG2 GLN 65 2HG GLN 65 1.282 -7.807 12.912 1166 HG3 GLN 65 3HG GLN 65 2.444 -6.572 12.437 1167 HE21 GLN 65 1HE2 GLN 65 1.954 -4.420 12.742 1168 HE22 GLN 65 2HE2 GLN 65 0.576 -3.897 13.648 1169 H THR 66 H THR 66 3.000 -6.464 8.639 1170 HA THR 66 HA THR 66 5.212 -5.576 10.077 1171 HB THR 66 HB THR 66 4.993 -5.895 7.076 1172 HG1 THR 66 HG1 THR 66 4.900 -7.704 9.094 1173 HG21 THR 66 3HG2 THR 66 7.401 -6.273 7.129 1174 HG22 THR 66 1HG2 THR 66 7.420 -6.012 8.874 1175 HG23 THR 66 2HG2 THR 66 7.018 -4.682 7.787 1176 H MET 67 H MET 67 3.495 -3.980 7.387 1177 HA MET 67 HA MET 67 5.240 -1.741 7.345 1178 HB2 MET 67 2HB MET 67 3.752 -0.751 5.768 1179 HB3 MET 67 3HB MET 67 3.814 -2.472 5.418 1180 HG2 MET 67 2HG MET 67 1.674 -2.805 6.472 1181 HG3 MET 67 3HG MET 67 1.624 -1.113 6.968 1182 HE1 MET 67 3HE MET 67 -0.699 -0.623 5.914 1183 HE2 MET 67 1HE MET 67 -0.828 -2.331 5.498 1184 HE3 MET 67 2HE MET 67 -1.164 -1.100 4.281 1185 H VAL 68 H VAL 68 2.276 -2.448 9.092 1186 HA VAL 68 HA VAL 68 1.630 0.173 9.860 1187 HB VAL 68 HB VAL 68 1.043 -2.480 11.167 1188 HG11 VAL 68 1HG1 VAL 68 0.026 0.243 11.989 1189 HG12 VAL 68 2HG1 VAL 68 1.039 -0.832 12.953 1190 HG13 VAL 68 3HG1 VAL 68 -0.618 -1.299 12.558 1191 HG21 VAL 68 3HG2 VAL 68 -1.272 -1.840 10.378 1192 HG22 VAL 68 1HG2 VAL 68 -0.096 -2.209 9.114 1193 HG23 VAL 68 2HG2 VAL 68 -0.506 -0.533 9.478 1194 H ASP 69 H ASP 69 3.690 -2.239 11.494 1195 HA ASP 69 HA ASP 69 4.346 -0.574 13.685 1196 HB2 ASP 69 2HB ASP 69 5.728 -2.949 12.446 1197 HB3 ASP 69 3HB ASP 69 6.416 -2.092 13.822 1198 H ALA 70 H ALA 70 6.002 -1.177 10.602 1199 HA ALA 70 HA ALA 70 8.261 0.401 11.090 1200 HB1 ALA 70 3HB ALA 70 6.965 -0.156 8.429 1201 HB2 ALA 70 1HB ALA 70 8.071 -1.246 9.268 1202 HB3 ALA 70 2HB ALA 70 8.638 0.325 8.708 1203 H PHE 71 H PHE 71 5.137 1.232 9.628 1204 HA PHE 71 HA PHE 71 6.003 3.956 9.190 1205 HB2 PHE 71 2HB PHE 71 3.336 2.618 8.712 1206 HB3 PHE 71 3HB PHE 71 3.702 4.291 8.295 1207 HD1 PHE 71 HD1 PHE 71 6.421 4.083 7.257 1208 HD2 PHE 71 HD2 PHE 71 3.070 1.528 6.677 1209 HE1 PHE 71 HE1 PHE 71 7.359 3.351 5.107 1210 HE2 PHE 71 HE2 PHE 71 4.006 0.787 4.526 1211 HZ PHE 71 HZ PHE 71 6.153 1.698 3.739 1212 H LYS 72 H LYS 72 4.716 2.241 11.794 1213 HA LYS 72 HA LYS 72 3.489 4.506 13.062 1214 HB2 LYS 72 2HB LYS 72 2.995 2.150 13.743 1215 HB3 LYS 72 3HB LYS 72 4.640 2.018 14.354 1216 HG2 LYS 72 2HG LYS 72 4.153 3.908 15.891 1217 HG3 LYS 72 3HG LYS 72 2.478 3.853 15.351 1218 HD2 LYS 72 2HD LYS 72 2.323 1.527 16.131 1219 HD3 LYS 72 3HD LYS 72 3.987 1.627 16.712 1220 HE2 LYS 72 2HE LYS 72 3.260 3.577 18.126 1221 HE3 LYS 72 3HE LYS 72 1.601 3.186 17.676 1222 HZ1 LYS 72 3HZ LYS 72 3.496 1.495 19.204 1223 HZ2 LYS 72 1HZ LYS 72 2.019 0.926 18.598 1224 HZ3 LYS 72 2HZ LYS 72 2.038 2.171 19.748 1225 H GLY 73 H GLY 73 6.645 3.237 12.615 1226 HA2 GLY 73 2HA GLY 73 7.807 5.108 14.559 1227 HA3 GLY 73 3HA GLY 73 8.660 3.811 13.737 1228 H ASN 74 H ASN 74 7.059 5.038 11.270 1229 HA ASN 74 HA ASN 74 9.074 7.122 10.738 1230 HB2 ASN 74 2HB ASN 74 9.476 4.919 9.533 1231 HB3 ASN 74 3HB ASN 74 7.991 5.234 8.639 1232 HD21 ASN 74 1HD2 ASN 74 9.130 5.318 6.690 1233 HD22 ASN 74 2HD2 ASN 74 10.116 6.678 6.258 1234 H LEU 75 H LEU 75 8.375 8.549 8.824 1235 HA LEU 75 HA LEU 75 6.983 10.217 8.168 1236 HB2 LEU 75 2HB LEU 75 4.989 7.961 8.320 1237 HB3 LEU 75 3HB LEU 75 4.541 9.568 7.788 1238 HG LEU 75 HG LEU 75 6.545 9.162 6.089 1239 HD11 LEU 75 1HD1 LEU 75 5.535 6.392 6.685 1240 HD12 LEU 75 2HD1 LEU 75 7.169 6.993 6.973 1241 HD13 LEU 75 3HD1 LEU 75 6.560 6.842 5.322 1242 HD21 LEU 75 3HD2 LEU 75 4.255 9.692 5.473 1243 HD22 LEU 75 1HD2 LEU 75 3.773 8.021 5.773 1244 HD23 LEU 75 2HD2 LEU 75 4.890 8.393 4.463 1245 H GLU 76 H GLU 76 4.369 10.872 8.825 1246 HA GLU 76 HA GLU 76 2.910 11.580 10.427 1247 HB2 GLU 76 2HB GLU 76 3.760 9.358 11.590 1248 HB3 GLU 76 3HB GLU 76 4.557 10.489 12.672 1249 HG2 GLU 76 2HG GLU 76 1.643 10.774 12.103 1250 HG3 GLU 76 3HG GLU 76 2.202 9.558 13.247 1251 H HIS 77 H HIS 77 6.317 11.804 11.243 1252 HA HIS 77 HA HIS 77 7.599 13.419 12.150 1253 HB2 HIS 77 2HB HIS 77 7.640 15.527 10.900 1254 HB3 HIS 77 3HB HIS 77 7.554 14.132 9.841 1255 HD1 HIS 77 HD1 HIS 77 5.912 17.316 10.608 1256 HD2 HIS 77 HD2 HIS 77 4.967 13.827 8.553 1257 HE1 HIS 77 HE1 HIS 77 3.920 17.887 9.183 1258 HE2 HIS 77 HE2 HIS 77 3.257 15.715 8.084 1259 H HIS 78 H HIS 78 6.399 13.124 14.184 1260 HA HIS 78 HA HIS 78 5.048 15.600 14.999 1261 HB2 HIS 78 2HB HIS 78 4.501 14.403 17.107 1262 HB3 HIS 78 3HB HIS 78 3.867 13.584 15.688 1263 HD1 HIS 78 HD1 HIS 78 5.718 12.988 18.730 1264 HD2 HIS 78 HD2 HIS 78 5.559 11.253 14.949 1265 HE1 HIS 78 HE1 HIS 78 6.720 10.695 18.988 1266 HE2 HIS 78 HE2 HIS 78 6.496 9.614 16.722 1267 H HIS 79 H HIS 79 7.345 16.302 14.407 1268 HA HIS 79 HA HIS 79 8.944 16.716 16.756 1269 HB2 HIS 79 2HB HIS 79 9.732 14.501 16.212 1270 HB3 HIS 79 3HB HIS 79 9.852 14.900 14.508 1271 HD1 HIS 79 HD1 HIS 79 11.532 15.831 17.800 1272 HD2 HIS 79 HD2 HIS 79 12.331 15.620 13.723 1273 HE1 HIS 79 HE1 HIS 79 13.990 16.313 17.564 1274 HE2 HIS 79 HE2 HIS 79 14.483 15.906 15.123 1275 H HIS 80 H HIS 80 10.623 18.332 16.317 1276 HA HIS 80 HA HIS 80 9.775 20.219 14.353 1277 HB2 HIS 80 2HB HIS 80 12.194 20.167 16.163 1278 HB3 HIS 80 3HB HIS 80 11.830 21.501 15.075 1279 HD1 HIS 80 HD1 HIS 80 10.208 23.242 15.898 1280 HD2 HIS 80 HD2 HIS 80 10.239 19.824 18.269 1281 HE1 HIS 80 HE1 HIS 80 8.836 23.807 17.928 1282 HE2 HIS 80 HE2 HIS 80 9.057 21.803 19.436 1283 H HIS 81 H HIS 81 11.761 21.326 13.057 1284 HA HIS 81 HA HIS 81 12.307 19.366 11.031 1285 HB2 HIS 81 2HB HIS 81 13.051 22.289 11.241 1286 HB3 HIS 81 3HB HIS 81 13.432 21.281 9.851 1287 HD1 HIS 81 HD1 HIS 81 11.819 21.585 8.007 1288 HD2 HIS 81 HD2 HIS 81 10.037 22.139 11.727 1289 HE1 HIS 81 HE1 HIS 81 9.436 22.220 7.532 1290 HE2 HIS 81 HE2 HIS 81 8.330 22.331 9.791 1291 H HIS 82 H HIS 82 14.566 19.380 10.003 1292 HA HIS 82 HA HIS 82 16.724 19.623 11.926 1293 HB2 HIS 82 2HB HIS 82 17.477 17.326 11.739 1294 HB3 HIS 82 3HB HIS 82 15.824 17.343 12.339 1295 HD1 HIS 82 HD1 HIS 82 17.952 15.992 9.690 1296 HD2 HIS 82 HD2 HIS 82 13.875 16.535 10.328 1297 HE1 HIS 82 HE1 HIS 82 16.799 14.528 7.998 1298 HE2 HIS 82 HE2 HIS 82 14.337 14.767 8.487 Start of MODEL 7 1 H1 MET 1 1H MET 1 5.778 20.906 -19.413 2 H2 MET 1 2H MET 1 5.605 21.681 -20.910 3 H3 MET 1 3H MET 1 5.123 20.065 -20.731 4 HA MET 1 HA MET 1 3.913 22.340 -19.276 5 HB2 MET 1 2HB MET 1 3.560 22.389 -21.768 6 HB3 MET 1 3HB MET 1 2.778 20.821 -21.633 7 HG2 MET 1 2HG MET 1 1.822 23.244 -20.137 8 HG3 MET 1 3HG MET 1 1.274 22.849 -21.763 9 HE1 MET 1 3HE MET 1 -1.816 21.960 -19.509 10 HE2 MET 1 1HE MET 1 -1.250 22.883 -20.900 11 HE3 MET 1 2HE MET 1 -0.674 23.285 -19.282 12 H LYS 2 H LYS 2 3.580 18.974 -20.383 13 HA LYS 2 HA LYS 2 1.477 18.417 -18.518 14 HB2 LYS 2 2HB LYS 2 3.127 16.593 -20.274 15 HB3 LYS 2 3HB LYS 2 1.731 16.084 -19.334 16 HG2 LYS 2 2HG LYS 2 0.314 17.618 -20.601 17 HG3 LYS 2 3HG LYS 2 1.713 18.115 -21.556 18 HD2 LYS 2 2HD LYS 2 1.960 15.867 -22.420 19 HD3 LYS 2 3HD LYS 2 0.644 15.300 -21.393 20 HE2 LYS 2 2HE LYS 2 0.377 17.381 -23.555 21 HE3 LYS 2 3HE LYS 2 -0.048 15.679 -23.737 22 HZ1 LYS 2 3HZ LYS 2 -1.972 17.090 -23.241 23 HZ2 LYS 2 1HZ LYS 2 -1.274 17.530 -21.758 24 HZ3 LYS 2 2HZ LYS 2 -1.721 15.918 -22.041 25 H LYS 3 H LYS 3 1.643 16.522 -17.041 26 HA LYS 3 HA LYS 3 3.491 17.092 -15.016 27 HB2 LYS 3 2HB LYS 3 1.825 14.598 -15.398 28 HB3 LYS 3 3HB LYS 3 2.565 15.127 -13.891 29 HG2 LYS 3 2HG LYS 3 1.148 17.077 -13.827 30 HG3 LYS 3 3HG LYS 3 0.469 16.675 -15.405 31 HD2 LYS 3 2HD LYS 3 -1.085 16.011 -13.690 32 HD3 LYS 3 3HD LYS 3 -0.409 14.564 -14.438 33 HE2 LYS 3 2HE LYS 3 -0.509 14.278 -12.041 34 HE3 LYS 3 3HE LYS 3 1.173 14.364 -12.562 35 HZ1 LYS 3 3HZ LYS 3 0.705 15.668 -10.544 36 HZ2 LYS 3 1HZ LYS 3 -0.354 16.649 -11.430 37 HZ3 LYS 3 2HZ LYS 3 1.301 16.629 -11.807 38 H MET 4 H MET 4 5.371 16.158 -14.374 39 HA MET 4 HA MET 4 6.662 14.374 -16.301 40 HB2 MET 4 2HB MET 4 7.918 15.823 -13.961 41 HB3 MET 4 3HB MET 4 8.760 14.994 -15.259 42 HG2 MET 4 2HG MET 4 8.969 17.228 -15.812 43 HG3 MET 4 3HG MET 4 7.630 16.678 -16.814 44 HE1 MET 4 3HE MET 4 8.287 19.750 -16.231 45 HE2 MET 4 1HE MET 4 6.664 20.385 -15.967 46 HE3 MET 4 2HE MET 4 6.953 19.214 -17.252 47 H ALA 5 H ALA 5 6.384 12.275 -15.873 48 HA ALA 5 HA ALA 5 7.351 11.215 -13.384 49 HB1 ALA 5 3HB ALA 5 5.312 10.057 -12.722 50 HB2 ALA 5 1HB ALA 5 4.437 10.813 -14.055 51 HB3 ALA 5 2HB ALA 5 5.060 11.803 -12.734 52 H GLU 6 H GLU 6 5.429 10.488 -16.288 53 HA GLU 6 HA GLU 6 6.297 7.723 -16.212 54 HB2 GLU 6 2HB GLU 6 4.531 9.121 -18.227 55 HB3 GLU 6 3HB GLU 6 4.717 7.383 -18.022 56 HG2 GLU 6 2HG GLU 6 3.752 7.544 -15.785 57 HG3 GLU 6 3HG GLU 6 3.565 9.284 -15.989 58 H PHE 7 H PHE 7 8.543 8.302 -16.503 59 HA PHE 7 HA PHE 7 9.238 8.239 -19.348 60 HB2 PHE 7 2HB PHE 7 10.628 9.982 -17.296 61 HB3 PHE 7 3HB PHE 7 11.166 9.735 -18.952 62 HD1 PHE 7 HD2 PHE 7 9.693 10.537 -20.829 63 HD2 PHE 7 HD1 PHE 7 9.051 11.617 -16.765 64 HE1 PHE 7 HE2 PHE 7 8.319 12.442 -21.557 65 HE2 PHE 7 HE1 PHE 7 7.679 13.528 -17.484 66 HZ PHE 7 HZ PHE 7 7.312 13.942 -19.884 67 H THR 8 H THR 8 11.213 8.472 -16.431 68 HA THR 8 HA THR 8 11.847 5.621 -16.621 69 HB THR 8 HB THR 8 13.707 6.981 -17.661 70 HG1 THR 8 HG1 THR 8 14.327 5.011 -16.891 71 HG21 THR 8 3HG2 THR 8 15.197 8.230 -16.160 72 HG22 THR 8 1HG2 THR 8 14.073 7.962 -14.825 73 HG23 THR 8 2HG2 THR 8 13.584 8.944 -16.204 74 H PHE 9 H PHE 9 12.808 4.831 -14.510 75 HA PHE 9 HA PHE 9 12.041 6.495 -12.240 76 HB2 PHE 9 2HB PHE 9 10.726 4.723 -11.207 77 HB3 PHE 9 3HB PHE 9 10.046 5.150 -12.770 78 HD1 PHE 9 HD2 PHE 9 10.292 3.610 -14.686 79 HD2 PHE 9 HD1 PHE 9 11.566 2.549 -10.767 80 HE1 PHE 9 HE2 PHE 9 10.338 1.238 -15.346 81 HE2 PHE 9 HE1 PHE 9 11.614 0.178 -11.419 82 HZ PHE 9 HZ PHE 9 11.000 -0.479 -13.709 83 H GLU 10 H GLU 10 13.095 6.010 -10.326 84 HA GLU 10 HA GLU 10 14.972 3.782 -10.271 85 HB2 GLU 10 2HB GLU 10 15.866 6.232 -11.118 86 HB3 GLU 10 3HB GLU 10 16.177 6.323 -9.389 87 HG2 GLU 10 2HG GLU 10 17.140 4.109 -11.187 88 HG3 GLU 10 3HG GLU 10 18.096 5.512 -10.718 89 H ILE 11 H ILE 11 15.663 3.259 -8.136 90 HA ILE 11 HA ILE 11 13.804 4.272 -6.089 91 HB ILE 11 HB ILE 11 15.454 1.734 -6.073 92 HG12 ILE 11 2HG1 ILE 11 12.484 2.080 -6.539 93 HG13 ILE 11 3HG1 ILE 11 13.662 1.784 -7.811 94 HG21 ILE 11 1HG2 ILE 11 13.240 2.640 -4.229 95 HG22 ILE 11 2HG2 ILE 11 14.959 2.575 -3.830 96 HG23 ILE 11 3HG2 ILE 11 14.073 1.086 -4.167 97 HD11 ILE 11 3HD1 ILE 11 13.035 -0.072 -5.526 98 HD12 ILE 11 1HD1 ILE 11 14.205 -0.369 -6.814 99 HD13 ILE 11 2HD1 ILE 11 12.487 -0.250 -7.193 100 H GLU 12 H GLU 12 14.812 6.020 -5.175 101 HA GLU 12 HA GLU 12 17.646 5.846 -4.559 102 HB2 GLU 12 2HB GLU 12 17.487 8.194 -3.919 103 HB3 GLU 12 3HB GLU 12 16.819 7.926 -5.521 104 HG2 GLU 12 2HG GLU 12 14.594 8.144 -4.719 105 HG3 GLU 12 3HG GLU 12 15.133 8.112 -3.040 106 H GLU 13 H GLU 13 14.578 5.754 -2.874 107 HA GLU 13 HA GLU 13 16.063 5.485 -0.346 108 HB2 GLU 13 2HB GLU 13 14.855 7.630 -0.439 109 HB3 GLU 13 3HB GLU 13 13.351 6.769 -0.729 110 HG2 GLU 13 2HG GLU 13 13.489 7.454 1.579 111 HG3 GLU 13 3HG GLU 13 13.551 5.695 1.463 112 H HIS 14 H HIS 14 15.421 3.928 1.068 113 HA HIS 14 HA HIS 14 13.424 1.998 0.055 114 HB2 HIS 14 2HB HIS 14 15.775 1.183 -0.088 115 HB3 HIS 14 3HB HIS 14 15.935 1.411 1.648 116 HD1 HIS 14 HD1 HIS 14 15.163 -0.465 3.137 117 HD2 HIS 14 HD2 HIS 14 13.969 -0.940 -0.826 118 HE1 HIS 14 HE1 HIS 14 14.221 -2.794 2.978 119 HE2 HIS 14 HE2 HIS 14 13.689 -3.118 0.541 120 H LEU 15 H LEU 15 11.747 1.641 1.391 121 HA LEU 15 HA LEU 15 11.952 2.708 4.112 122 HB2 LEU 15 2HB LEU 15 9.512 1.961 2.498 123 HB3 LEU 15 3HB LEU 15 9.487 2.626 4.118 124 HG LEU 15 HG LEU 15 10.590 4.063 1.704 125 HD11 LEU 15 1HD1 LEU 15 8.577 5.430 1.835 126 HD12 LEU 15 2HD1 LEU 15 7.965 4.417 3.142 127 HD13 LEU 15 3HD1 LEU 15 8.178 3.742 1.526 128 HD21 LEU 15 3HD2 LEU 15 10.018 5.015 4.508 129 HD22 LEU 15 1HD2 LEU 15 10.564 6.022 3.165 130 HD23 LEU 15 2HD2 LEU 15 11.615 4.757 3.807 131 H LEU 16 H LEU 16 10.149 -0.012 2.626 132 HA LEU 16 HA LEU 16 10.955 -1.671 4.928 133 HB2 LEU 16 2HB LEU 16 8.144 -1.430 3.855 134 HB3 LEU 16 3HB LEU 16 8.665 -2.504 5.136 135 HG LEU 16 HG LEU 16 8.615 0.510 5.265 136 HD11 LEU 16 1HD1 LEU 16 6.914 -1.583 6.612 137 HD12 LEU 16 2HD1 LEU 16 6.399 -0.494 5.324 138 HD13 LEU 16 3HD1 LEU 16 6.836 0.154 6.905 139 HD21 LEU 16 3HD2 LEU 16 9.340 -1.532 7.358 140 HD22 LEU 16 1HD2 LEU 16 9.192 0.207 7.614 141 HD23 LEU 16 2HD2 LEU 16 10.456 -0.424 6.558 142 H THR 17 H THR 17 11.207 -3.832 4.491 143 HA THR 17 HA THR 17 10.394 -4.790 1.825 144 HB THR 17 HB THR 17 12.191 -6.186 3.830 145 HG1 THR 17 HG1 THR 17 13.889 -5.504 2.431 146 HG21 THR 17 3HG2 THR 17 11.661 -6.716 0.903 147 HG22 THR 17 1HG2 THR 17 11.070 -7.688 2.251 148 HG23 THR 17 2HG2 THR 17 12.800 -7.596 1.921 149 H LEU 18 H LEU 18 8.558 -5.989 1.738 150 HA LEU 18 HA LEU 18 7.253 -6.500 4.280 151 HB2 LEU 18 2HB LEU 18 6.223 -6.593 1.452 152 HB3 LEU 18 3HB LEU 18 5.248 -6.983 2.858 153 HG LEU 18 HG LEU 18 6.462 -4.308 2.170 154 HD11 LEU 18 1HD1 LEU 18 3.608 -5.226 2.469 155 HD12 LEU 18 2HD1 LEU 18 4.427 -4.832 0.958 156 HD13 LEU 18 3HD1 LEU 18 4.127 -3.571 2.154 157 HD21 LEU 18 3HD2 LEU 18 4.954 -5.114 4.654 158 HD22 LEU 18 1HD2 LEU 18 5.435 -3.472 4.225 159 HD23 LEU 18 2HD2 LEU 18 6.664 -4.689 4.569 160 H SER 19 H SER 19 7.677 -8.431 1.265 161 HA SER 19 HA SER 19 8.196 -10.782 2.835 162 HB2 SER 19 2HB SER 19 6.187 -12.024 2.043 163 HB3 SER 19 3HB SER 19 5.791 -10.691 3.125 164 HG SER 19 HG SER 19 4.414 -10.667 1.327 165 H GLU 20 H GLU 20 8.547 -12.694 1.542 166 HA GLU 20 HA GLU 20 9.221 -12.145 -1.266 167 HB2 GLU 20 2HB GLU 20 11.042 -13.086 0.047 168 HB3 GLU 20 3HB GLU 20 10.014 -14.402 0.592 169 HG2 GLU 20 2HG GLU 20 9.858 -15.202 -1.731 170 HG3 GLU 20 3HG GLU 20 10.963 -13.919 -2.222 171 H ASN 21 H ASN 21 7.562 -12.570 -2.594 172 HA ASN 21 HA ASN 21 5.530 -14.484 -1.758 173 HB2 ASN 21 2HB ASN 21 4.932 -12.202 -2.623 174 HB3 ASN 21 3HB ASN 21 5.538 -12.698 -4.200 175 HD21 ASN 21 1HD2 ASN 21 3.638 -12.602 -5.278 176 HD22 ASN 21 2HD2 ASN 21 2.302 -13.647 -4.964 177 H GLU 22 H GLU 22 5.429 -16.475 -2.475 178 HA GLU 22 HA GLU 22 5.743 -18.373 -3.668 179 HB2 GLU 22 2HB GLU 22 5.855 -16.426 -5.970 180 HB3 GLU 22 3HB GLU 22 5.722 -18.171 -6.147 181 HG2 GLU 22 2HG GLU 22 3.607 -18.055 -4.818 182 HG3 GLU 22 3HG GLU 22 3.724 -16.298 -4.910 183 H LYS 23 H LYS 23 8.112 -16.791 -2.713 184 HA LYS 23 HA LYS 23 10.371 -16.795 -2.772 185 HB2 LYS 23 2HB LYS 23 10.008 -19.209 -2.421 186 HB3 LYS 23 3HB LYS 23 9.997 -19.453 -4.163 187 HG2 LYS 23 2HG LYS 23 12.302 -18.727 -4.310 188 HG3 LYS 23 3HG LYS 23 12.325 -18.386 -2.578 189 HD2 LYS 23 2HD LYS 23 11.905 -20.763 -2.121 190 HD3 LYS 23 3HD LYS 23 11.918 -21.091 -3.856 191 HE2 LYS 23 2HE LYS 23 14.063 -21.647 -2.820 192 HE3 LYS 23 3HE LYS 23 14.233 -20.347 -3.995 193 HZ1 LYS 23 3HZ LYS 23 15.461 -20.007 -1.878 194 HZ2 LYS 23 1HZ LYS 23 13.975 -19.900 -1.073 195 HZ3 LYS 23 2HZ LYS 23 14.383 -18.752 -2.254 196 H GLY 24 H GLY 24 10.476 -15.000 -4.173 197 HA2 GLY 24 2HA GLY 24 12.232 -14.925 -6.150 198 HA3 GLY 24 3HA GLY 24 10.825 -15.522 -7.022 199 H TRP 25 H TRP 25 8.763 -14.126 -6.030 200 HA TRP 25 HA TRP 25 9.308 -11.440 -6.999 201 HB2 TRP 25 2HB TRP 25 6.790 -12.941 -6.304 202 HB3 TRP 25 3HB TRP 25 6.769 -11.205 -6.574 203 HD1 TRP 25 HD1 TRP 25 8.123 -14.279 -8.557 204 HE1 TRP 25 HE1 TRP 25 7.500 -13.943 -11.040 205 HE3 TRP 25 HE3 TRP 25 5.785 -9.756 -8.186 206 HZ2 TRP 25 HZ2 TRP 25 6.180 -12.001 -12.619 207 HZ3 TRP 25 HZ3 TRP 25 4.865 -8.726 -10.220 208 HH2 TRP 25 HH2 TRP 25 5.060 -9.827 -12.393 209 H THR 26 H THR 26 10.363 -10.281 -5.432 210 HA THR 26 HA THR 26 9.450 -10.474 -2.678 211 HB THR 26 HB THR 26 11.323 -8.582 -2.527 212 HG1 THR 26 HG1 THR 26 11.680 -8.481 -4.771 213 HG21 THR 26 3HG2 THR 26 11.396 -10.757 -1.407 214 HG22 THR 26 1HG2 THR 26 12.962 -10.358 -2.111 215 HG23 THR 26 2HG2 THR 26 11.906 -11.521 -2.911 216 H LYS 27 H LYS 27 8.377 -8.939 -1.573 217 HA LYS 27 HA LYS 27 7.362 -6.656 -3.144 218 HB2 LYS 27 2HB LYS 27 5.685 -8.387 -2.478 219 HB3 LYS 27 3HB LYS 27 6.067 -8.058 -0.795 220 HG2 LYS 27 2HG LYS 27 5.344 -5.706 -1.158 221 HG3 LYS 27 3HG LYS 27 4.815 -6.172 -2.775 222 HD2 LYS 27 2HD LYS 27 3.802 -7.299 -0.164 223 HD3 LYS 27 3HD LYS 27 2.941 -6.188 -1.228 224 HE2 LYS 27 2HE LYS 27 2.918 -7.877 -2.988 225 HE3 LYS 27 3HE LYS 27 3.808 -8.984 -1.947 226 HZ1 LYS 27 3HZ LYS 27 1.045 -7.978 -1.567 227 HZ2 LYS 27 1HZ LYS 27 1.908 -8.788 -0.350 228 HZ3 LYS 27 2HZ LYS 27 1.544 -9.578 -1.803 229 H GLU 28 H GLU 28 7.703 -4.642 -2.366 230 HA GLU 28 HA GLU 28 8.409 -4.283 0.431 231 HB2 GLU 28 2HB GLU 28 10.487 -3.093 -0.078 232 HB3 GLU 28 3HB GLU 28 10.560 -4.767 -0.606 233 HG2 GLU 28 2HG GLU 28 10.165 -4.090 -2.897 234 HG3 GLU 28 3HG GLU 28 9.996 -2.410 -2.389 235 H ILE 29 H ILE 29 8.908 -1.907 0.833 236 HA ILE 29 HA ILE 29 7.183 -0.183 -0.821 237 HB ILE 29 HB ILE 29 7.575 0.011 2.182 238 HG12 ILE 29 2HG1 ILE 29 5.128 -0.857 0.618 239 HG13 ILE 29 3HG1 ILE 29 6.195 -1.943 1.500 240 HG21 ILE 29 1HG2 ILE 29 5.774 1.548 0.309 241 HG22 ILE 29 2HG2 ILE 29 7.220 2.171 1.105 242 HG23 ILE 29 3HG2 ILE 29 5.813 1.711 2.066 243 HD11 ILE 29 3HD1 ILE 29 5.592 -0.844 3.589 244 HD12 ILE 29 1HD1 ILE 29 4.169 -1.462 2.752 245 HD13 ILE 29 2HD1 ILE 29 4.539 0.262 2.707 246 H ASN 30 H ASN 30 8.295 1.469 -1.702 247 HA ASN 30 HA ASN 30 10.560 2.593 -0.272 248 HB2 ASN 30 2HB ASN 30 12.086 2.325 -2.207 249 HB3 ASN 30 3HB ASN 30 11.626 0.791 -1.482 250 HD21 ASN 30 1HD2 ASN 30 11.843 -0.551 -3.162 251 HD22 ASN 30 2HD2 ASN 30 10.981 -0.395 -4.655 252 H ARG 31 H ARG 31 11.626 4.271 -2.026 253 HA ARG 31 HA ARG 31 9.337 5.840 -3.018 254 HB2 ARG 31 2HB ARG 31 11.935 6.718 -1.787 255 HB3 ARG 31 3HB ARG 31 10.976 7.806 -2.774 256 HG2 ARG 31 2HG ARG 31 9.106 7.590 -1.254 257 HG3 ARG 31 3HG ARG 31 10.001 6.418 -0.289 258 HD2 ARG 31 2HD ARG 31 10.024 8.678 0.695 259 HD3 ARG 31 3HD ARG 31 11.638 8.086 0.303 260 HE ARG 31 HE ARG 31 10.335 9.787 -1.680 261 HH11 ARG 31 1HH1 ARG 31 12.583 9.536 0.987 262 HH12 ARG 31 2HH1 ARG 31 13.510 10.924 0.510 263 HH21 ARG 31 1HH2 ARG 31 11.528 11.654 -2.287 264 HH22 ARG 31 2HH2 ARG 31 12.887 12.152 -1.327 265 H VAL 32 H VAL 32 9.208 6.018 -5.111 266 HA VAL 32 HA VAL 32 11.568 5.406 -6.736 267 HB VAL 32 HB VAL 32 8.647 5.435 -7.517 268 HG11 VAL 32 1HG1 VAL 32 10.106 6.015 -9.384 269 HG12 VAL 32 2HG1 VAL 32 9.393 4.417 -9.606 270 HG13 VAL 32 3HG1 VAL 32 11.071 4.569 -9.085 271 HG21 VAL 32 3HG2 VAL 32 10.544 3.142 -7.040 272 HG22 VAL 32 1HG2 VAL 32 8.900 2.997 -7.665 273 HG23 VAL 32 2HG2 VAL 32 9.174 3.594 -6.026 274 H SER 33 H SER 33 12.585 6.962 -7.745 275 HA SER 33 HA SER 33 11.432 9.624 -7.940 276 HB2 SER 33 2HB SER 33 14.164 8.765 -8.899 277 HB3 SER 33 3HB SER 33 13.644 10.364 -8.360 278 HG SER 33 HG SER 33 14.400 9.756 -6.483 279 H PHE 34 H PHE 34 10.234 10.091 -9.676 280 HA PHE 34 HA PHE 34 10.566 8.544 -12.115 281 HB2 PHE 34 2HB PHE 34 8.463 10.535 -11.263 282 HB3 PHE 34 3HB PHE 34 8.462 9.701 -12.814 283 HD1 PHE 34 HD1 PHE 34 8.267 7.200 -12.845 284 HD2 PHE 34 HD2 PHE 34 7.620 9.504 -9.327 285 HE1 PHE 34 HE1 PHE 34 7.061 5.309 -11.836 286 HE2 PHE 34 HE2 PHE 34 6.413 7.616 -8.310 287 HZ PHE 34 HZ PHE 34 6.132 5.514 -9.567 288 H ASN 35 H ASN 35 11.972 9.213 -13.527 289 HA ASN 35 HA ASN 35 13.047 10.449 -15.082 290 HB2 ASN 35 2HB ASN 35 10.830 11.327 -15.674 291 HB3 ASN 35 3HB ASN 35 11.006 12.594 -14.464 292 HD21 ASN 35 1HD2 ASN 35 12.137 11.395 -17.546 293 HD22 ASN 35 2HD2 ASN 35 12.884 12.869 -18.063 294 H GLY 36 H GLY 36 12.119 12.862 -12.620 295 HA2 GLY 36 2HA GLY 36 14.946 13.652 -12.423 296 HA3 GLY 36 3HA GLY 36 13.574 14.572 -11.811 297 H ALA 37 H ALA 37 13.979 14.728 -9.662 298 HA ALA 37 HA ALA 37 14.076 12.152 -8.230 299 HB1 ALA 37 3HB ALA 37 16.255 13.248 -8.115 300 HB2 ALA 37 1HB ALA 37 15.489 13.148 -6.528 301 HB3 ALA 37 2HB ALA 37 15.498 14.676 -7.409 302 HA PRO 38 HA PRO 38 10.644 14.402 -6.207 303 HB2 PRO 38 2HB PRO 38 8.530 13.842 -7.760 304 HB3 PRO 38 3HB PRO 38 9.629 15.164 -8.164 305 HG2 PRO 38 2HG PRO 38 9.251 12.590 -9.516 306 HG3 PRO 38 3HG PRO 38 10.047 14.057 -10.106 307 HD2 PRO 38 2HD PRO 38 11.236 11.673 -8.881 308 HD3 PRO 38 3HD PRO 38 12.029 12.991 -9.770 309 H ALA 39 H ALA 39 11.814 11.979 -5.554 310 HA ALA 39 HA ALA 39 10.471 9.621 -6.072 311 HB1 ALA 39 3HB ALA 39 11.699 8.649 -4.256 312 HB2 ALA 39 1HB ALA 39 12.020 10.244 -3.570 313 HB3 ALA 39 2HB ALA 39 12.734 9.787 -5.119 314 H LYS 40 H LYS 40 8.413 9.311 -5.778 315 HA LYS 40 HA LYS 40 7.173 10.072 -3.236 316 HB2 LYS 40 2HB LYS 40 6.003 9.262 -5.903 317 HB3 LYS 40 3HB LYS 40 5.032 9.417 -4.446 318 HG2 LYS 40 2HG LYS 40 5.588 11.753 -4.264 319 HG3 LYS 40 3HG LYS 40 6.690 11.628 -5.636 320 HD2 LYS 40 2HD LYS 40 4.869 11.163 -7.131 321 HD3 LYS 40 3HD LYS 40 3.731 11.074 -5.786 322 HE2 LYS 40 2HE LYS 40 3.587 13.211 -6.996 323 HE3 LYS 40 3HE LYS 40 4.048 13.420 -5.308 324 HZ1 LYS 40 3HZ LYS 40 5.353 14.810 -6.811 325 HZ2 LYS 40 1HZ LYS 40 5.938 13.431 -7.607 326 HZ3 LYS 40 2HZ LYS 40 6.335 13.711 -5.978 327 H PHE 41 H PHE 41 5.416 8.353 -2.587 328 HA PHE 41 HA PHE 41 7.017 6.039 -1.950 329 HB2 PHE 41 2HB PHE 41 4.199 6.713 -1.082 330 HB3 PHE 41 3HB PHE 41 5.273 5.530 -0.339 331 HD1 PHE 41 HD1 PHE 41 7.268 6.299 0.908 332 HD2 PHE 41 HD2 PHE 41 4.344 9.014 -0.563 333 HE1 PHE 41 HE1 PHE 41 8.131 8.033 2.415 334 HE2 PHE 41 HE2 PHE 41 5.206 10.763 0.941 335 HZ PHE 41 HZ PHE 41 7.103 10.273 2.432 336 H ASP 42 H ASP 42 6.867 4.108 -2.880 337 HA ASP 42 HA ASP 42 4.489 3.512 -4.507 338 HB2 ASP 42 2HB ASP 42 6.406 4.281 -5.923 339 HB3 ASP 42 3HB ASP 42 7.349 2.927 -5.315 340 H ILE 43 H ILE 43 3.564 1.725 -3.780 341 HA ILE 43 HA ILE 43 5.165 -0.248 -2.316 342 HB ILE 43 HB ILE 43 2.163 -0.160 -2.689 343 HG12 ILE 43 2HG1 ILE 43 3.840 0.731 -0.326 344 HG13 ILE 43 3HG1 ILE 43 2.988 1.800 -1.435 345 HG21 ILE 43 1HG2 ILE 43 3.894 -1.774 -0.818 346 HG22 ILE 43 2HG2 ILE 43 3.005 -2.388 -2.213 347 HG23 ILE 43 3HG2 ILE 43 2.131 -1.754 -0.818 348 HD11 ILE 43 3HD1 ILE 43 0.856 0.843 -0.703 349 HD12 ILE 43 1HD1 ILE 43 1.761 1.557 0.633 350 HD13 ILE 43 2HD1 ILE 43 1.725 -0.195 0.428 351 H ARG 44 H ARG 44 5.995 -1.883 -3.466 352 HA ARG 44 HA ARG 44 4.543 -2.870 -5.800 353 HB2 ARG 44 2HB ARG 44 6.476 -2.536 -7.265 354 HB3 ARG 44 3HB ARG 44 5.884 -1.006 -6.633 355 HG2 ARG 44 2HG ARG 44 7.686 -1.247 -4.838 356 HG3 ARG 44 3HG ARG 44 8.368 -2.506 -5.870 357 HD2 ARG 44 2HD ARG 44 7.852 0.356 -6.671 358 HD3 ARG 44 3HD ARG 44 9.424 -0.333 -6.267 359 HE ARG 44 HE ARG 44 9.227 -1.706 -8.267 360 HH11 ARG 44 1HH1 ARG 44 6.938 0.913 -7.949 361 HH12 ARG 44 2HH1 ARG 44 6.769 1.162 -9.666 362 HH21 ARG 44 1HH2 ARG 44 8.985 -1.418 -10.553 363 HH22 ARG 44 2HH2 ARG 44 7.918 -0.187 -11.140 364 H ALA 45 H ALA 45 5.520 -4.759 -6.760 365 HA ALA 45 HA ALA 45 7.429 -6.182 -5.032 366 HB1 ALA 45 3HB ALA 45 5.209 -7.197 -4.805 367 HB2 ALA 45 1HB ALA 45 6.315 -8.285 -5.644 368 HB3 ALA 45 2HB ALA 45 5.109 -7.378 -6.557 369 H TRP 46 H TRP 46 9.237 -6.816 -6.094 370 HA TRP 46 HA TRP 46 9.164 -6.529 -9.012 371 HB2 TRP 46 2HB TRP 46 11.644 -6.178 -8.869 372 HB3 TRP 46 3HB TRP 46 10.659 -4.901 -8.173 373 HD1 TRP 46 HD1 TRP 46 10.711 -4.650 -5.479 374 HE1 TRP 46 HE1 TRP 46 12.509 -5.317 -3.757 375 HE3 TRP 46 HE3 TRP 46 13.375 -7.946 -8.345 376 HZ2 TRP 46 HZ2 TRP 46 14.753 -7.025 -3.644 377 HZ3 TRP 46 HZ3 TRP 46 15.332 -9.051 -7.353 378 HH2 TRP 46 HH2 TRP 46 16.007 -8.598 -5.051 379 H SER 47 H SER 47 10.243 -7.967 -10.308 380 HA SER 47 HA SER 47 10.053 -10.680 -9.305 381 HB2 SER 47 2HB SER 47 10.605 -9.784 -12.134 382 HB3 SER 47 3HB SER 47 9.880 -11.300 -11.595 383 HG SER 47 HG SER 47 8.224 -9.737 -10.644 384 HA PRO 48 HA PRO 48 14.400 -11.655 -9.207 385 HB2 PRO 48 2HB PRO 48 14.458 -13.943 -10.773 386 HB3 PRO 48 3HB PRO 48 14.063 -13.902 -9.053 387 HG2 PRO 48 2HG PRO 48 12.240 -14.002 -11.418 388 HG3 PRO 48 3HG PRO 48 12.095 -14.818 -9.849 389 HD2 PRO 48 2HD PRO 48 10.644 -12.643 -10.443 390 HD3 PRO 48 3HD PRO 48 11.264 -12.925 -8.803 391 H ASP 49 H ASP 49 12.883 -12.100 -12.383 392 HA ASP 49 HA ASP 49 14.699 -10.247 -13.604 393 HB2 ASP 49 2HB ASP 49 16.130 -12.170 -13.770 394 HB3 ASP 49 3HB ASP 49 14.805 -13.172 -14.357 395 H HIS 50 H HIS 50 12.701 -12.986 -14.694 396 HA HIS 50 HA HIS 50 11.463 -11.380 -16.718 397 HB2 HIS 50 2HB HIS 50 11.871 -13.816 -17.021 398 HB3 HIS 50 3HB HIS 50 10.680 -14.147 -15.766 399 HD1 HIS 50 HD1 HIS 50 10.933 -12.630 -19.223 400 HD2 HIS 50 HD2 HIS 50 8.072 -14.199 -16.641 401 HE1 HIS 50 HE1 HIS 50 8.804 -12.753 -20.559 402 HE2 HIS 50 HE2 HIS 50 7.137 -13.861 -19.034 403 H THR 51 H THR 51 10.131 -9.829 -16.100 404 HA THR 51 HA THR 51 8.265 -10.354 -13.909 405 HB THR 51 HB THR 51 9.637 -8.247 -13.899 406 HG1 THR 51 HG1 THR 51 7.829 -8.159 -12.666 407 HG21 THR 51 3HG2 THR 51 8.901 -6.388 -15.351 408 HG22 THR 51 1HG2 THR 51 7.863 -7.509 -16.233 409 HG23 THR 51 2HG2 THR 51 9.614 -7.713 -16.270 410 H LYS 52 H LYS 52 6.013 -9.592 -14.214 411 HA LYS 52 HA LYS 52 5.052 -10.370 -16.872 412 HB2 LYS 52 2HB LYS 52 3.589 -10.157 -14.231 413 HB3 LYS 52 3HB LYS 52 2.869 -10.685 -15.745 414 HG2 LYS 52 2HG LYS 52 4.202 -12.649 -15.792 415 HG3 LYS 52 3HG LYS 52 5.198 -12.074 -14.452 416 HD2 LYS 52 2HD LYS 52 3.312 -12.226 -12.942 417 HD3 LYS 52 3HD LYS 52 2.250 -12.693 -14.271 418 HE2 LYS 52 2HE LYS 52 4.659 -14.270 -13.376 419 HE3 LYS 52 3HE LYS 52 3.006 -14.596 -12.855 420 HZ1 LYS 52 3HZ LYS 52 2.418 -14.917 -15.214 421 HZ2 LYS 52 1HZ LYS 52 3.558 -16.044 -14.655 422 HZ3 LYS 52 2HZ LYS 52 4.052 -14.748 -15.631 423 H MET 53 H MET 53 3.246 -8.435 -14.592 424 HA MET 53 HA MET 53 3.704 -6.037 -16.230 425 HB2 MET 53 2HB MET 53 1.064 -6.985 -15.090 426 HB3 MET 53 3HB MET 53 1.334 -5.355 -15.689 427 HG2 MET 53 2HG MET 53 0.306 -6.434 -17.458 428 HG3 MET 53 3HG MET 53 2.014 -6.479 -17.883 429 HE1 MET 53 3HE MET 53 0.802 -9.851 -19.372 430 HE2 MET 53 1HE MET 53 1.719 -8.372 -19.656 431 HE3 MET 53 2HE MET 53 -0.022 -8.292 -19.381 432 H GLY 54 H GLY 54 2.624 -7.358 -13.131 433 HA2 GLY 54 2HA GLY 54 3.571 -6.777 -11.056 434 HA3 GLY 54 3HA GLY 54 4.219 -5.316 -11.786 435 H LYS 55 H LYS 55 1.870 -6.544 -9.762 436 HA LYS 55 HA LYS 55 0.089 -4.273 -10.174 437 HB2 LYS 55 2HB LYS 55 -0.166 -6.706 -8.398 438 HB3 LYS 55 3HB LYS 55 -1.330 -5.387 -8.421 439 HG2 LYS 55 2HG LYS 55 -1.618 -5.839 -10.884 440 HG3 LYS 55 3HG LYS 55 -0.666 -7.303 -10.641 441 HD2 LYS 55 2HD LYS 55 -2.302 -8.100 -9.009 442 HD3 LYS 55 3HD LYS 55 -3.250 -6.629 -9.229 443 HE2 LYS 55 2HE LYS 55 -3.510 -7.218 -11.628 444 HE3 LYS 55 3HE LYS 55 -2.674 -8.736 -11.309 445 HZ1 LYS 55 3HZ LYS 55 -4.457 -9.206 -9.635 446 HZ2 LYS 55 1HZ LYS 55 -4.980 -9.187 -11.253 447 HZ3 LYS 55 2HZ LYS 55 -5.301 -7.865 -10.243 448 H GLY 56 H GLY 56 1.066 -2.527 -9.398 449 HA2 GLY 56 2HA GLY 56 1.537 -2.447 -6.504 450 HA3 GLY 56 3HA GLY 56 2.774 -1.826 -7.594 451 H ILE 57 H ILE 57 1.880 -0.003 -5.874 452 HA ILE 57 HA ILE 57 0.272 1.740 -7.560 453 HB ILE 57 HB ILE 57 -1.369 0.473 -6.210 454 HG12 ILE 57 2HG1 ILE 57 -1.245 3.381 -5.395 455 HG13 ILE 57 3HG1 ILE 57 -1.760 2.831 -6.988 456 HG21 ILE 57 1HG2 ILE 57 -0.065 0.080 -4.210 457 HG22 ILE 57 2HG2 ILE 57 -1.559 0.925 -3.800 458 HG23 ILE 57 3HG2 ILE 57 -0.035 1.811 -3.860 459 HD11 ILE 57 3HD1 ILE 57 -3.662 3.314 -5.565 460 HD12 ILE 57 1HD1 ILE 57 -3.083 2.146 -4.376 461 HD13 ILE 57 2HD1 ILE 57 -3.594 1.601 -5.974 462 H THR 58 H THR 58 0.589 3.886 -7.229 463 HA THR 58 HA THR 58 2.805 4.629 -5.500 464 HB THR 58 HB THR 58 2.504 6.875 -6.694 465 HG1 THR 58 HG1 THR 58 1.334 5.835 -8.871 466 HG21 THR 58 3HG2 THR 58 4.277 5.308 -7.288 467 HG22 THR 58 1HG2 THR 58 3.627 6.085 -8.730 468 HG23 THR 58 2HG2 THR 58 3.167 4.429 -8.337 469 H LEU 59 H LEU 59 2.674 6.089 -3.846 470 HA LEU 59 HA LEU 59 0.021 7.205 -3.220 471 HB2 LEU 59 2HB LEU 59 2.029 6.098 -1.250 472 HB3 LEU 59 3HB LEU 59 0.527 6.895 -0.827 473 HG LEU 59 HG LEU 59 0.755 4.276 -2.315 474 HD11 LEU 59 1HD1 LEU 59 -0.149 3.297 -0.263 475 HD12 LEU 59 2HD1 LEU 59 -0.065 4.875 0.521 476 HD13 LEU 59 3HD1 LEU 59 1.416 4.063 0.012 477 HD21 LEU 59 3HD2 LEU 59 -1.226 5.505 -2.980 478 HD22 LEU 59 1HD2 LEU 59 -1.651 5.774 -1.289 479 HD23 LEU 59 2HD2 LEU 59 -1.673 4.142 -1.956 480 H SER 60 H SER 60 0.018 9.353 -2.942 481 HA SER 60 HA SER 60 2.494 10.814 -3.032 482 HB2 SER 60 2HB SER 60 0.353 11.590 -4.108 483 HB3 SER 60 3HB SER 60 -0.289 11.877 -2.491 484 HG SER 60 HG SER 60 0.990 13.594 -3.876 485 H ASN 61 H ASN 61 2.686 12.706 -1.352 486 HA ASN 61 HA ASN 61 3.420 11.479 1.054 487 HB2 ASN 61 2HB ASN 61 2.940 14.439 0.637 488 HB3 ASN 61 3HB ASN 61 3.944 13.698 1.882 489 HD21 ASN 61 1HD2 ASN 61 3.761 14.781 -1.356 490 HD22 ASN 61 2HD2 ASN 61 5.393 14.407 -1.801 491 H GLU 62 H GLU 62 0.599 13.443 0.243 492 HA GLU 62 HA GLU 62 -0.520 13.604 2.813 493 HB2 GLU 62 2HB GLU 62 -2.232 13.420 0.352 494 HB3 GLU 62 3HB GLU 62 -2.467 14.405 1.785 495 HG2 GLU 62 2HG GLU 62 -0.493 14.857 -0.437 496 HG3 GLU 62 3HG GLU 62 -1.907 15.829 -0.038 497 H GLU 63 H GLU 63 -1.194 11.407 0.133 498 HA GLU 63 HA GLU 63 -3.190 9.888 1.393 499 HB2 GLU 63 2HB GLU 63 -1.334 8.908 -0.773 500 HB3 GLU 63 3HB GLU 63 -2.997 8.423 -0.476 501 HG2 GLU 63 2HG GLU 63 -3.819 10.549 -1.197 502 HG3 GLU 63 3HG GLU 63 -2.185 11.201 -1.303 503 H PHE 64 H PHE 64 0.295 9.445 1.124 504 HA PHE 64 HA PHE 64 0.418 6.851 2.225 505 HB2 PHE 64 2HB PHE 64 2.194 8.116 0.887 506 HB3 PHE 64 3HB PHE 64 2.605 8.918 2.399 507 HD1 PHE 64 HD1 PHE 64 2.319 5.597 0.803 508 HD2 PHE 64 HD2 PHE 64 4.064 7.906 3.915 509 HE1 PHE 64 HE1 PHE 64 3.803 3.718 1.356 510 HE2 PHE 64 HE2 PHE 64 5.549 6.029 4.481 511 HZ PHE 64 HZ PHE 64 5.420 3.932 3.198 512 H GLN 65 H GLN 65 0.819 10.074 3.689 513 HA GLN 65 HA GLN 65 1.355 9.172 6.304 514 HB2 GLN 65 2HB GLN 65 1.533 11.557 5.255 515 HB3 GLN 65 3HB GLN 65 -0.146 11.715 5.747 516 HG2 GLN 65 2HG GLN 65 2.062 10.983 7.650 517 HG3 GLN 65 3HG GLN 65 1.573 12.642 7.331 518 HE21 GLN 65 1HE2 GLN 65 1.505 11.036 9.790 519 HE22 GLN 65 2HE2 GLN 65 -0.132 11.082 10.336 520 H THR 66 H THR 66 -1.615 9.801 4.552 521 HA THR 66 HA THR 66 -3.488 9.746 6.576 522 HB THR 66 HB THR 66 -3.806 8.569 3.805 523 HG1 THR 66 HG1 THR 66 -3.167 10.732 3.662 524 HG21 THR 66 3HG2 THR 66 -6.185 9.075 4.096 525 HG22 THR 66 1HG2 THR 66 -5.869 9.616 5.745 526 HG23 THR 66 2HG2 THR 66 -5.622 7.924 5.309 527 H MET 67 H MET 67 -2.257 6.947 4.698 528 HA MET 67 HA MET 67 -3.795 5.065 6.147 529 HB2 MET 67 2HB MET 67 -2.627 3.367 5.010 530 HB3 MET 67 3HB MET 67 -2.700 4.706 3.878 531 HG2 MET 67 2HG MET 67 -0.410 5.274 4.311 532 HG3 MET 67 3HG MET 67 -0.316 4.077 5.601 533 HE1 MET 67 3HE MET 67 1.675 2.689 4.823 534 HE2 MET 67 1HE MET 67 1.957 3.976 3.650 535 HE3 MET 67 2HE MET 67 1.992 2.288 3.136 536 H VAL 68 H VAL 68 -0.499 6.284 6.572 537 HA VAL 68 HA VAL 68 0.390 4.472 8.503 538 HB VAL 68 HB VAL 68 1.133 7.368 8.077 539 HG11 VAL 68 1HG1 VAL 68 3.118 6.917 9.452 540 HG12 VAL 68 2HG1 VAL 68 2.486 5.316 9.839 541 HG13 VAL 68 3HG1 VAL 68 1.632 6.759 10.388 542 HG21 VAL 68 3HG2 VAL 68 1.688 5.942 6.220 543 HG22 VAL 68 1HG2 VAL 68 2.422 4.757 7.300 544 HG23 VAL 68 2HG2 VAL 68 3.166 6.339 7.095 545 H ASP 69 H ASP 69 -1.162 7.651 8.955 546 HA ASP 69 HA ASP 69 -1.202 7.521 11.782 547 HB2 ASP 69 2HB ASP 69 -1.440 9.643 10.601 548 HB3 ASP 69 3HB ASP 69 -2.960 9.107 9.894 549 H ALA 70 H ALA 70 -3.672 6.767 9.349 550 HA ALA 70 HA ALA 70 -5.772 6.239 11.111 551 HB1 ALA 70 3HB ALA 70 -6.853 5.123 9.266 552 HB2 ALA 70 1HB ALA 70 -5.315 4.980 8.412 553 HB3 ALA 70 2HB ALA 70 -6.030 6.570 8.683 554 H PHE 71 H PHE 71 -3.259 4.100 9.834 555 HA PHE 71 HA PHE 71 -4.440 1.795 11.098 556 HB2 PHE 71 2HB PHE 71 -1.881 2.166 9.552 557 HB3 PHE 71 3HB PHE 71 -2.357 0.629 10.269 558 HD1 PHE 71 HD2 PHE 71 -5.139 0.360 9.740 559 HD2 PHE 71 HD1 PHE 71 -2.118 2.065 7.275 560 HE1 PHE 71 HE2 PHE 71 -6.494 -0.128 7.748 561 HE2 PHE 71 HE1 PHE 71 -3.470 1.582 5.278 562 HZ PHE 71 HZ PHE 71 -5.657 0.482 5.513 563 H LYS 72 H LYS 72 -1.737 3.977 11.806 564 HA LYS 72 HA LYS 72 -0.536 2.338 13.752 565 HB2 LYS 72 2HB LYS 72 0.609 4.344 14.565 566 HB3 LYS 72 3HB LYS 72 0.669 4.226 12.817 567 HG2 LYS 72 2HG LYS 72 0.273 6.464 13.159 568 HG3 LYS 72 3HG LYS 72 -1.349 5.838 12.872 569 HD2 LYS 72 2HD LYS 72 -1.331 7.408 14.734 570 HD3 LYS 72 3HD LYS 72 -1.751 5.787 15.289 571 HE2 LYS 72 2HE LYS 72 0.472 5.448 16.136 572 HE3 LYS 72 3HE LYS 72 1.010 6.978 15.444 573 HZ1 LYS 72 3HZ LYS 72 0.573 7.156 17.819 574 HZ2 LYS 72 1HZ LYS 72 -1.039 6.690 17.579 575 HZ3 LYS 72 2HZ LYS 72 -0.472 8.151 16.932 576 H GLY 73 H GLY 73 -3.304 4.429 13.883 577 HA2 GLY 73 2HA GLY 73 -3.516 3.935 16.783 578 HA3 GLY 73 3HA GLY 73 -4.389 5.173 15.893 579 H ASN 74 H ASN 74 -4.062 1.818 14.855 580 HA ASN 74 HA ASN 74 -6.715 1.134 15.775 581 HB2 ASN 74 2HB ASN 74 -7.122 2.463 13.693 582 HB3 ASN 74 3HB ASN 74 -6.200 1.268 12.792 583 HD21 ASN 74 1HD2 ASN 74 -9.036 2.149 12.671 584 HD22 ASN 74 2HD2 ASN 74 -9.968 0.700 12.806 585 H LEU 75 H LEU 75 -4.120 0.192 13.499 586 HA LEU 75 HA LEU 75 -4.738 -2.615 14.139 587 HB2 LEU 75 2HB LEU 75 -5.057 -1.861 11.775 588 HB3 LEU 75 3HB LEU 75 -3.337 -1.533 11.691 589 HG LEU 75 HG LEU 75 -2.904 -3.948 12.146 590 HD11 LEU 75 1HD1 LEU 75 -4.971 -4.505 13.277 591 HD12 LEU 75 2HD1 LEU 75 -4.741 -5.534 11.865 592 HD13 LEU 75 3HD1 LEU 75 -5.885 -4.193 11.802 593 HD21 LEU 75 3HD2 LEU 75 -2.926 -3.026 9.859 594 HD22 LEU 75 1HD2 LEU 75 -4.632 -3.447 9.730 595 HD23 LEU 75 2HD2 LEU 75 -3.419 -4.717 9.922 596 H GLU 76 H GLU 76 -2.959 -0.931 15.770 597 HA GLU 76 HA GLU 76 -0.301 -1.860 15.206 598 HB2 GLU 76 2HB GLU 76 -0.457 0.177 16.436 599 HB3 GLU 76 3HB GLU 76 -1.488 -0.559 17.656 600 HG2 GLU 76 2HG GLU 76 0.392 -1.980 18.361 601 HG3 GLU 76 3HG GLU 76 1.413 -1.207 17.150 602 H HIS 77 H HIS 77 -0.269 -4.011 15.044 603 HA HIS 77 HA HIS 77 -1.285 -5.633 17.262 604 HB2 HIS 77 2HB HIS 77 -1.803 -6.118 14.790 605 HB3 HIS 77 3HB HIS 77 -0.131 -6.643 14.665 606 HD1 HIS 77 HD1 HIS 77 -3.297 -7.496 16.562 607 HD2 HIS 77 HD2 HIS 77 0.292 -9.235 15.383 608 HE1 HIS 77 HE1 HIS 77 -3.496 -9.935 17.154 609 HE2 HIS 77 HE2 HIS 77 -1.411 -10.998 16.215 610 H HIS 78 H HIS 78 1.099 -3.926 17.328 611 HA HIS 78 HA HIS 78 3.512 -5.279 17.167 612 HB2 HIS 78 2HB HIS 78 3.190 -2.832 17.638 613 HB3 HIS 78 3HB HIS 78 2.733 -3.258 19.281 614 HD1 HIS 78 HD1 HIS 78 5.668 -3.035 16.985 615 HD2 HIS 78 HD2 HIS 78 4.875 -3.937 20.974 616 HE1 HIS 78 HE1 HIS 78 7.905 -3.045 18.142 617 HE2 HIS 78 HE2 HIS 78 7.420 -3.732 20.518 618 H HIS 79 H HIS 79 4.523 -6.776 18.410 619 HA HIS 79 HA HIS 79 3.074 -8.463 20.067 620 HB2 HIS 79 2HB HIS 79 6.014 -8.031 19.673 621 HB3 HIS 79 3HB HIS 79 5.451 -9.131 20.928 622 HD1 HIS 79 HD1 HIS 79 5.787 -11.418 20.031 623 HD2 HIS 79 HD2 HIS 79 4.198 -8.843 17.173 624 HE1 HIS 79 HE1 HIS 79 5.296 -12.850 18.019 625 HE2 HIS 79 HE2 HIS 79 4.106 -11.315 16.408 626 H HIS 80 H HIS 80 2.537 -8.489 22.140 627 HA HIS 80 HA HIS 80 2.566 -5.939 23.429 628 HB2 HIS 80 2HB HIS 80 1.272 -8.573 23.969 629 HB3 HIS 80 3HB HIS 80 1.348 -7.383 25.267 630 HD1 HIS 80 HD1 HIS 80 -1.123 -6.835 25.311 631 HD2 HIS 80 HD2 HIS 80 0.589 -6.361 21.552 632 HE1 HIS 80 HE1 HIS 80 -2.857 -5.655 23.922 633 HE2 HIS 80 HE2 HIS 80 -1.694 -5.153 21.738 634 H HIS 81 H HIS 81 3.094 -5.574 25.637 635 HA HIS 81 HA HIS 81 5.336 -7.192 26.640 636 HB2 HIS 81 2HB HIS 81 6.380 -4.942 27.334 637 HB3 HIS 81 3HB HIS 81 6.498 -5.403 25.642 638 HD1 HIS 81 HD1 HIS 81 5.821 -3.687 24.018 639 HD2 HIS 81 HD2 HIS 81 4.141 -3.009 27.763 640 HE1 HIS 81 HE1 HIS 81 4.596 -1.491 23.829 641 HE2 HIS 81 HE2 HIS 81 3.563 -1.112 26.094 642 H HIS 82 H HIS 82 5.774 -6.825 28.939 643 HA HIS 82 HA HIS 82 3.384 -5.871 30.376 644 HB2 HIS 82 2HB HIS 82 5.143 -8.236 31.079 645 HB3 HIS 82 3HB HIS 82 3.841 -7.614 32.090 646 HD1 HIS 82 HD1 HIS 82 4.479 -10.209 29.755 647 HD2 HIS 82 HD2 HIS 82 1.250 -7.683 30.489 648 HE1 HIS 82 HE1 HIS 82 2.487 -11.322 28.700 649 HE2 HIS 82 HE2 HIS 82 0.523 -9.891 29.354 650 H1 MET 1 1H MET 1 -9.942 -20.207 -24.990 651 H2 MET 1 2H MET 1 -8.334 -20.513 -24.540 652 H3 MET 1 3H MET 1 -9.355 -19.639 -23.504 653 HA MET 1 HA MET 1 -10.730 -21.559 -23.153 654 HB2 MET 1 2HB MET 1 -8.748 -22.891 -25.007 655 HB3 MET 1 3HB MET 1 -9.916 -23.764 -24.024 656 HG2 MET 1 2HG MET 1 -10.576 -21.765 -26.174 657 HG3 MET 1 3HG MET 1 -10.665 -23.518 -26.328 658 HE1 MET 1 3HE MET 1 -13.180 -23.250 -27.186 659 HE2 MET 1 1HE MET 1 -13.063 -21.502 -26.989 660 HE3 MET 1 2HE MET 1 -14.428 -22.381 -26.293 661 H LYS 2 H LYS 2 -9.769 -23.746 -22.091 662 HA LYS 2 HA LYS 2 -8.493 -24.733 -20.525 663 HB2 LYS 2 2HB LYS 2 -6.528 -24.121 -21.911 664 HB3 LYS 2 3HB LYS 2 -6.406 -22.613 -21.016 665 HG2 LYS 2 2HG LYS 2 -6.036 -23.884 -18.948 666 HG3 LYS 2 3HG LYS 2 -6.135 -25.385 -19.866 667 HD2 LYS 2 2HD LYS 2 -3.826 -24.873 -19.541 668 HD3 LYS 2 3HD LYS 2 -4.208 -24.584 -21.238 669 HE2 LYS 2 2HE LYS 2 -4.399 -22.191 -20.791 670 HE3 LYS 2 3HE LYS 2 -4.042 -22.477 -19.087 671 HZ1 LYS 2 3HZ LYS 2 -2.073 -21.751 -20.248 672 HZ2 LYS 2 1HZ LYS 2 -2.220 -23.012 -21.373 673 HZ3 LYS 2 2HZ LYS 2 -1.873 -23.358 -19.750 674 H LYS 3 H LYS 3 -8.583 -21.227 -20.293 675 HA LYS 3 HA LYS 3 -8.510 -21.338 -17.409 676 HB2 LYS 3 2HB LYS 3 -8.807 -18.879 -17.509 677 HB3 LYS 3 3HB LYS 3 -7.434 -19.448 -18.442 678 HG2 LYS 3 2HG LYS 3 -8.788 -19.241 -20.497 679 HG3 LYS 3 3HG LYS 3 -10.105 -18.573 -19.528 680 HD2 LYS 3 2HD LYS 3 -8.568 -16.775 -18.776 681 HD3 LYS 3 3HD LYS 3 -7.342 -17.412 -19.874 682 HE2 LYS 3 2HE LYS 3 -8.387 -15.597 -20.989 683 HE3 LYS 3 3HE LYS 3 -8.991 -17.071 -21.741 684 HZ1 LYS 3 3HZ LYS 3 -10.427 -15.455 -19.696 685 HZ2 LYS 3 1HZ LYS 3 -11.015 -16.872 -20.423 686 HZ3 LYS 3 2HZ LYS 3 -10.766 -15.481 -21.356 687 H MET 4 H MET 4 -10.242 -22.471 -16.731 688 HA MET 4 HA MET 4 -12.911 -21.566 -17.540 689 HB2 MET 4 2HB MET 4 -13.748 -23.642 -16.745 690 HB3 MET 4 3HB MET 4 -12.280 -24.014 -17.633 691 HG2 MET 4 2HG MET 4 -12.524 -23.836 -14.637 692 HG3 MET 4 3HG MET 4 -12.459 -25.320 -15.586 693 HE1 MET 4 3HE MET 4 -9.009 -25.315 -13.745 694 HE2 MET 4 1HE MET 4 -10.493 -26.215 -14.064 695 HE3 MET 4 2HE MET 4 -10.546 -24.733 -13.107 696 H ALA 5 H ALA 5 -10.746 -20.728 -15.322 697 HA ALA 5 HA ALA 5 -12.688 -20.443 -13.138 698 HB1 ALA 5 3HB ALA 5 -10.628 -21.620 -12.539 699 HB2 ALA 5 1HB ALA 5 -10.780 -20.094 -11.665 700 HB3 ALA 5 2HB ALA 5 -9.684 -20.217 -13.041 701 H GLU 6 H GLU 6 -13.765 -18.606 -13.525 702 HA GLU 6 HA GLU 6 -12.249 -16.184 -14.184 703 HB2 GLU 6 2HB GLU 6 -14.473 -15.162 -14.577 704 HB3 GLU 6 3HB GLU 6 -14.189 -16.578 -15.580 705 HG2 GLU 6 2HG GLU 6 -15.532 -17.923 -14.005 706 HG3 GLU 6 3HG GLU 6 -15.869 -16.457 -13.084 707 H PHE 7 H PHE 7 -13.570 -17.845 -11.613 708 HA PHE 7 HA PHE 7 -14.085 -17.457 -9.467 709 HB2 PHE 7 2HB PHE 7 -12.493 -16.107 -8.182 710 HB3 PHE 7 3HB PHE 7 -11.691 -17.176 -9.317 711 HD1 PHE 7 HD1 PHE 7 -12.639 -13.651 -8.697 712 HD2 PHE 7 HD2 PHE 7 -10.213 -16.341 -10.930 713 HE1 PHE 7 HE1 PHE 7 -11.325 -11.754 -9.546 714 HE2 PHE 7 HE2 PHE 7 -8.897 -14.448 -11.790 715 HZ PHE 7 HZ PHE 7 -9.451 -12.150 -11.098 716 H THR 8 H THR 8 -14.415 -15.641 -7.710 717 HA THR 8 HA THR 8 -15.893 -13.396 -8.903 718 HB THR 8 HB THR 8 -16.857 -15.023 -6.536 719 HG1 THR 8 HG1 THR 8 -17.165 -15.374 -9.218 720 HG21 THR 8 3HG2 THR 8 -18.898 -13.698 -6.741 721 HG22 THR 8 1HG2 THR 8 -18.190 -12.795 -8.081 722 HG23 THR 8 2HG2 THR 8 -17.506 -12.652 -6.462 723 H PHE 9 H PHE 9 -15.013 -11.551 -8.202 724 HA PHE 9 HA PHE 9 -13.747 -11.547 -5.552 725 HB2 PHE 9 2HB PHE 9 -12.434 -9.612 -6.321 726 HB3 PHE 9 3HB PHE 9 -12.191 -11.008 -7.362 727 HD1 PHE 9 HD2 PHE 9 -13.343 -11.077 -9.594 728 HD2 PHE 9 HD1 PHE 9 -13.227 -7.576 -7.173 729 HE1 PHE 9 HE2 PHE 9 -13.903 -9.703 -11.557 730 HE2 PHE 9 HE1 PHE 9 -13.784 -6.200 -9.133 731 HZ PHE 9 HZ PHE 9 -14.125 -7.258 -11.325 732 H GLU 10 H GLU 10 -14.478 -10.236 -3.999 733 HA GLU 10 HA GLU 10 -16.264 -8.036 -4.670 734 HB2 GLU 10 2HB GLU 10 -17.321 -10.505 -3.969 735 HB3 GLU 10 3HB GLU 10 -17.337 -9.607 -2.459 736 HG2 GLU 10 2HG GLU 10 -18.555 -8.661 -5.044 737 HG3 GLU 10 3HG GLU 10 -19.437 -9.413 -3.716 738 H ILE 11 H ILE 11 -16.498 -6.513 -2.989 739 HA ILE 11 HA ILE 11 -14.255 -6.563 -1.111 740 HB ILE 11 HB ILE 11 -16.147 -4.285 -1.722 741 HG12 ILE 11 2HG1 ILE 11 -13.353 -4.763 -2.784 742 HG13 ILE 11 3HG1 ILE 11 -14.832 -5.018 -3.705 743 HG21 ILE 11 1HG2 ILE 11 -15.050 -4.095 0.444 744 HG22 ILE 11 2HG2 ILE 11 -14.416 -2.894 -0.682 745 HG23 ILE 11 3HG2 ILE 11 -13.477 -4.343 -0.318 746 HD11 ILE 11 3HD1 ILE 11 -13.807 -2.902 -4.276 747 HD12 ILE 11 1HD1 ILE 11 -13.867 -2.397 -2.587 748 HD13 ILE 11 2HD1 ILE 11 -15.363 -2.642 -3.489 749 H GLU 12 H GLU 12 -14.710 -7.532 0.737 750 HA GLU 12 HA GLU 12 -17.369 -7.660 1.822 751 HB2 GLU 12 2HB GLU 12 -14.684 -8.603 2.824 752 HB3 GLU 12 3HB GLU 12 -16.179 -8.841 3.719 753 HG2 GLU 12 2HG GLU 12 -15.758 -9.827 0.914 754 HG3 GLU 12 3HG GLU 12 -15.407 -10.790 2.351 755 H GLU 13 H GLU 13 -14.395 -5.937 2.551 756 HA GLU 13 HA GLU 13 -15.824 -4.169 4.370 757 HB2 GLU 13 2HB GLU 13 -15.044 -6.062 5.762 758 HB3 GLU 13 3HB GLU 13 -13.399 -5.774 5.215 759 HG2 GLU 13 2HG GLU 13 -13.591 -3.477 6.225 760 HG3 GLU 13 3HG GLU 13 -15.099 -4.021 6.963 761 H HIS 14 H HIS 14 -15.280 -2.210 3.565 762 HA HIS 14 HA HIS 14 -12.531 -1.848 2.631 763 HB2 HIS 14 2HB HIS 14 -13.236 0.168 1.522 764 HB3 HIS 14 3HB HIS 14 -14.353 -1.117 1.100 765 HD1 HIS 14 HD1 HIS 14 -14.525 2.241 1.446 766 HD2 HIS 14 HD2 HIS 14 -16.620 -0.815 3.348 767 HE1 HIS 14 HE1 HIS 14 -16.665 3.284 2.269 768 HE2 HIS 14 HE2 HIS 14 -18.010 1.362 3.192 769 H LEU 15 H LEU 15 -11.079 -0.752 3.746 770 HA LEU 15 HA LEU 15 -11.691 -0.258 6.495 771 HB2 LEU 15 2HB LEU 15 -9.142 0.157 4.934 772 HB3 LEU 15 3HB LEU 15 -9.280 0.251 6.679 773 HG LEU 15 HG LEU 15 -9.915 -2.246 5.108 774 HD11 LEU 15 1HD1 LEU 15 -7.371 -1.512 6.547 775 HD12 LEU 15 2HD1 LEU 15 -7.565 -1.653 4.800 776 HD13 LEU 15 3HD1 LEU 15 -7.740 -3.077 5.824 777 HD21 LEU 15 3HD2 LEU 15 -9.357 -1.792 8.033 778 HD22 LEU 15 1HD2 LEU 15 -9.743 -3.331 7.265 779 HD23 LEU 15 2HD2 LEU 15 -10.953 -2.049 7.327 780 H LEU 16 H LEU 16 -9.876 1.851 4.280 781 HA LEU 16 HA LEU 16 -11.512 4.122 5.024 782 HB2 LEU 16 2HB LEU 16 -9.596 5.452 5.805 783 HB3 LEU 16 3HB LEU 16 -9.930 4.087 6.852 784 HG LEU 16 HG LEU 16 -7.982 3.292 4.908 785 HD11 LEU 16 1HD1 LEU 16 -6.159 4.804 5.536 786 HD12 LEU 16 2HD1 LEU 16 -7.304 5.806 6.429 787 HD13 LEU 16 3HD1 LEU 16 -7.446 5.652 4.677 788 HD21 LEU 16 3HD2 LEU 16 -6.655 2.848 6.917 789 HD22 LEU 16 1HD2 LEU 16 -8.311 2.264 7.093 790 HD23 LEU 16 2HD2 LEU 16 -7.814 3.762 7.883 791 H THR 17 H THR 17 -11.312 5.857 3.654 792 HA THR 17 HA THR 17 -10.075 5.297 1.093 793 HB THR 17 HB THR 17 -11.613 7.757 1.965 794 HG1 THR 17 HG1 THR 17 -13.196 6.339 2.023 795 HG21 THR 17 3HG2 THR 17 -11.974 8.085 -0.435 796 HG22 THR 17 1HG2 THR 17 -11.003 6.654 -0.781 797 HG23 THR 17 2HG2 THR 17 -10.254 8.071 -0.048 798 H LEU 18 H LEU 18 -8.053 5.923 0.645 799 HA LEU 18 HA LEU 18 -6.514 7.493 2.426 800 HB2 LEU 18 2HB LEU 18 -5.993 6.728 -0.448 801 HB3 LEU 18 3HB LEU 18 -4.811 7.469 0.615 802 HG LEU 18 HG LEU 18 -6.076 4.757 1.012 803 HD11 LEU 18 1HD1 LEU 18 -3.820 3.912 0.562 804 HD12 LEU 18 2HD1 LEU 18 -3.287 5.553 0.196 805 HD13 LEU 18 3HD1 LEU 18 -4.492 4.771 -0.826 806 HD21 LEU 18 3HD2 LEU 18 -4.471 4.518 2.841 807 HD22 LEU 18 1HD2 LEU 18 -5.591 5.846 3.135 808 HD23 LEU 18 2HD2 LEU 18 -3.946 6.184 2.599 809 H SER 19 H SER 19 -7.473 8.177 -0.936 810 HA SER 19 HA SER 19 -8.305 10.846 -0.319 811 HB2 SER 19 2HB SER 19 -5.682 10.474 -1.796 812 HB3 SER 19 3HB SER 19 -6.588 11.985 -1.759 813 HG SER 19 HG SER 19 -6.025 10.790 0.693 814 H GLU 20 H GLU 20 -8.811 12.064 -2.389 815 HA GLU 20 HA GLU 20 -9.555 10.169 -4.516 816 HB2 GLU 20 2HB GLU 20 -11.426 11.456 -3.516 817 HB3 GLU 20 3HB GLU 20 -10.626 12.949 -3.990 818 HG2 GLU 20 2HG GLU 20 -10.854 12.366 -6.327 819 HG3 GLU 20 3HG GLU 20 -11.569 10.813 -5.892 820 H ASN 21 H ASN 21 -8.097 10.124 -6.076 821 HA ASN 21 HA ASN 21 -6.203 12.323 -6.283 822 HB2 ASN 21 2HB ASN 21 -5.629 9.806 -6.082 823 HB3 ASN 21 3HB ASN 21 -6.054 9.724 -7.790 824 HD21 ASN 21 1HD2 ASN 21 -3.766 10.841 -5.444 825 HD22 ASN 21 2HD2 ASN 21 -2.552 11.341 -6.575 826 H GLU 22 H GLU 22 -6.126 13.705 -7.896 827 HA GLU 22 HA GLU 22 -6.538 14.829 -9.809 828 HB2 GLU 22 2HB GLU 22 -6.885 12.039 -10.910 829 HB3 GLU 22 3HB GLU 22 -6.764 13.493 -11.895 830 HG2 GLU 22 2HG GLU 22 -4.651 12.393 -10.054 831 HG3 GLU 22 3HG GLU 22 -4.639 12.352 -11.818 832 H LYS 23 H LYS 23 -8.775 14.081 -7.998 833 HA LYS 23 HA LYS 23 -11.031 14.184 -7.834 834 HB2 LYS 23 2HB LYS 23 -10.545 16.023 -10.166 835 HB3 LYS 23 3HB LYS 23 -12.138 15.808 -9.450 836 HG2 LYS 23 2HG LYS 23 -9.677 16.783 -8.011 837 HG3 LYS 23 3HG LYS 23 -11.021 17.785 -8.568 838 HD2 LYS 23 2HD LYS 23 -12.545 16.553 -7.099 839 HD3 LYS 23 3HD LYS 23 -11.206 15.547 -6.550 840 HE2 LYS 23 2HE LYS 23 -10.106 17.489 -5.597 841 HE3 LYS 23 3HE LYS 23 -11.383 18.537 -6.210 842 HZ1 LYS 23 3HZ LYS 23 -11.693 18.019 -3.863 843 HZ2 LYS 23 1HZ LYS 23 -11.753 16.364 -4.218 844 HZ3 LYS 23 2HZ LYS 23 -12.965 17.396 -4.795 845 H GLY 24 H GLY 24 -11.512 12.053 -8.217 846 HA2 GLY 24 2HA GLY 24 -13.427 11.142 -9.667 847 HA3 GLY 24 3HA GLY 24 -12.257 11.331 -10.966 848 H TRP 25 H TRP 25 -9.926 10.476 -9.775 849 HA TRP 25 HA TRP 25 -10.455 7.622 -9.623 850 HB2 TRP 25 2HB TRP 25 -7.930 9.255 -9.857 851 HB3 TRP 25 3HB TRP 25 -7.893 7.522 -9.552 852 HD1 TRP 25 HD1 TRP 25 -9.367 9.933 -12.226 853 HE1 TRP 25 HE1 TRP 25 -9.272 8.729 -14.503 854 HE3 TRP 25 HE3 TRP 25 -7.509 5.427 -10.679 855 HZ2 TRP 25 HZ2 TRP 25 -8.508 6.193 -15.505 856 HZ3 TRP 25 HZ3 TRP 25 -7.121 3.672 -12.358 857 HH2 TRP 25 HH2 TRP 25 -7.608 4.048 -14.719 858 H THR 26 H THR 26 -11.242 7.111 -7.652 859 HA THR 26 HA THR 26 -10.153 8.383 -5.281 860 HB THR 26 HB THR 26 -12.203 6.165 -5.393 861 HG1 THR 26 HG1 THR 26 -12.510 8.974 -5.757 862 HG21 THR 26 3HG2 THR 26 -11.694 8.368 -3.390 863 HG22 THR 26 1HG2 THR 26 -11.292 6.665 -3.178 864 HG23 THR 26 2HG2 THR 26 -12.981 7.165 -3.289 865 H LYS 27 H LYS 27 -8.843 7.393 -3.782 866 HA LYS 27 HA LYS 27 -7.918 4.693 -4.506 867 HB2 LYS 27 2HB LYS 27 -6.300 6.544 -5.001 868 HB3 LYS 27 3HB LYS 27 -6.247 6.892 -3.280 869 HG2 LYS 27 2HG LYS 27 -5.104 4.949 -2.786 870 HG3 LYS 27 3HG LYS 27 -5.625 4.144 -4.270 871 HD2 LYS 27 2HD LYS 27 -3.240 4.796 -4.320 872 HD3 LYS 27 3HD LYS 27 -4.189 5.571 -5.593 873 HE2 LYS 27 2HE LYS 27 -4.363 7.586 -4.176 874 HE3 LYS 27 3HE LYS 27 -3.321 6.807 -2.986 875 HZ1 LYS 27 3HZ LYS 27 -1.577 6.685 -4.674 876 HZ2 LYS 27 1HZ LYS 27 -2.054 8.288 -4.384 877 HZ3 LYS 27 2HZ LYS 27 -2.575 7.482 -5.783 878 H GLU 28 H GLU 28 -8.271 3.228 -3.025 879 HA GLU 28 HA GLU 28 -8.653 4.038 -0.230 880 HB2 GLU 28 2HB GLU 28 -10.856 4.043 -1.278 881 HB3 GLU 28 3HB GLU 28 -10.586 2.429 -1.911 882 HG2 GLU 28 2HG GLU 28 -10.390 1.673 0.498 883 HG3 GLU 28 3HG GLU 28 -11.013 3.262 0.940 884 H ILE 29 H ILE 29 -8.455 2.337 1.277 885 HA ILE 29 HA ILE 29 -7.150 -0.099 0.266 886 HB ILE 29 HB ILE 29 -7.080 1.045 3.068 887 HG12 ILE 29 2HG1 ILE 29 -4.951 1.050 0.915 888 HG13 ILE 29 3HG1 ILE 29 -5.876 2.454 1.439 889 HG21 ILE 29 1HG2 ILE 29 -5.553 -1.238 1.821 890 HG22 ILE 29 2HG2 ILE 29 -6.848 -1.377 3.009 891 HG23 ILE 29 3HG2 ILE 29 -5.321 -0.615 3.454 892 HD11 ILE 29 3HD1 ILE 29 -4.889 2.261 3.667 893 HD12 ILE 29 1HD1 ILE 29 -3.665 2.458 2.416 894 HD13 ILE 29 2HD1 ILE 29 -3.952 0.868 3.124 895 H ASN 30 H ASN 30 -8.449 -1.824 0.214 896 HA ASN 30 HA ASN 30 -10.504 -2.100 2.291 897 HB2 ASN 30 2HB ASN 30 -12.132 -2.861 0.553 898 HB3 ASN 30 3HB ASN 30 -11.703 -1.158 0.431 899 HD21 ASN 30 1HD2 ASN 30 -10.591 -0.431 -1.329 900 HD22 ASN 30 2HD2 ASN 30 -10.300 -1.398 -2.733 901 H ARG 31 H ARG 31 -11.589 -4.343 2.029 902 HA ARG 31 HA ARG 31 -9.423 -6.302 1.665 903 HB2 ARG 31 2HB ARG 31 -11.910 -6.487 3.379 904 HB3 ARG 31 3HB ARG 31 -10.655 -7.713 3.257 905 HG2 ARG 31 2HG ARG 31 -9.039 -6.204 4.241 906 HG3 ARG 31 3HG ARG 31 -10.246 -4.917 4.295 907 HD2 ARG 31 2HD ARG 31 -10.008 -5.969 6.476 908 HD3 ARG 31 3HD ARG 31 -11.613 -6.268 5.811 909 HE ARG 31 HE ARG 31 -9.700 -8.350 5.251 910 HH11 ARG 31 1HH1 ARG 31 -12.108 -7.174 7.519 911 HH12 ARG 31 2HH1 ARG 31 -12.383 -8.737 8.225 912 HH21 ARG 31 1HH2 ARG 31 -10.049 -10.392 6.179 913 HH22 ARG 31 2HH2 ARG 31 -11.190 -10.574 7.480 914 H VAL 32 H VAL 32 -9.594 -7.618 -0.005 915 HA VAL 32 HA VAL 32 -12.212 -7.903 -1.318 916 HB VAL 32 HB VAL 32 -9.466 -8.436 -2.468 917 HG11 VAL 32 1HG1 VAL 32 -12.174 -8.297 -3.791 918 HG12 VAL 32 2HG1 VAL 32 -11.192 -9.745 -3.563 919 HG13 VAL 32 3HG1 VAL 32 -10.633 -8.458 -4.632 920 HG21 VAL 32 3HG2 VAL 32 -9.816 -6.357 -3.743 921 HG22 VAL 32 1HG2 VAL 32 -9.718 -6.076 -2.005 922 HG23 VAL 32 2HG2 VAL 32 -11.284 -6.058 -2.816 923 H SER 33 H SER 33 -13.128 -9.866 -1.612 924 HA SER 33 HA SER 33 -11.619 -12.225 -0.698 925 HB2 SER 33 2HB SER 33 -14.598 -11.691 -0.638 926 HB3 SER 33 3HB SER 33 -13.849 -13.228 -0.202 927 HG SER 33 HG SER 33 -14.312 -11.326 1.424 928 H PHE 34 H PHE 34 -11.666 -14.080 -1.943 929 HA PHE 34 HA PHE 34 -12.834 -13.796 -4.628 930 HB2 PHE 34 2HB PHE 34 -10.332 -15.291 -3.803 931 HB3 PHE 34 3HB PHE 34 -11.010 -15.263 -5.428 932 HD1 PHE 34 HD2 PHE 34 -10.912 -13.233 -6.776 933 HD2 PHE 34 HD1 PHE 34 -9.103 -13.432 -2.931 934 HE1 PHE 34 HE2 PHE 34 -9.608 -11.210 -7.288 935 HE2 PHE 34 HE1 PHE 34 -7.795 -11.413 -3.436 936 HZ PHE 34 HZ PHE 34 -8.048 -10.295 -5.619 937 H ASN 35 H ASN 35 -14.601 -14.963 -4.690 938 HA ASN 35 HA ASN 35 -16.013 -16.733 -4.699 939 HB2 ASN 35 2HB ASN 35 -13.497 -18.285 -4.099 940 HB3 ASN 35 3HB ASN 35 -15.072 -19.058 -4.250 941 HD21 ASN 35 1HD2 ASN 35 -14.441 -20.243 -6.040 942 HD22 ASN 35 2HD2 ASN 35 -14.236 -19.517 -7.601 943 H GLY 36 H GLY 36 -13.782 -17.337 -1.977 944 HA2 GLY 36 2HA GLY 36 -16.090 -17.701 -0.208 945 HA3 GLY 36 3HA GLY 36 -14.405 -18.018 0.200 946 H ALA 37 H ALA 37 -14.493 -16.775 2.123 947 HA ALA 37 HA ALA 37 -14.474 -13.886 1.586 948 HB1 ALA 37 3HB ALA 37 -15.839 -15.157 3.950 949 HB2 ALA 37 1HB ALA 37 -16.649 -14.456 2.550 950 HB3 ALA 37 2HB ALA 37 -15.701 -13.429 3.627 951 HA PRO 38 HA PRO 38 -10.810 -14.989 4.247 952 HB2 PRO 38 2HB PRO 38 -8.843 -14.537 2.460 953 HB3 PRO 38 3HB PRO 38 -9.627 -16.115 2.610 954 HG2 PRO 38 2HG PRO 38 -10.051 -13.968 0.580 955 HG3 PRO 38 3HG PRO 38 -10.022 -15.727 0.366 956 HD2 PRO 38 2HD PRO 38 -12.315 -14.208 0.533 957 HD3 PRO 38 3HD PRO 38 -12.228 -15.940 0.902 958 H ALA 39 H ALA 39 -11.621 -12.553 1.913 959 HA ALA 39 HA ALA 39 -11.221 -10.338 1.695 960 HB1 ALA 39 3HB ALA 39 -12.955 -10.466 3.414 961 HB2 ALA 39 1HB ALA 39 -11.936 -9.036 3.593 962 HB3 ALA 39 2HB ALA 39 -11.709 -10.422 4.663 963 H LYS 40 H LYS 40 -8.986 -10.588 1.107 964 HA LYS 40 HA LYS 40 -7.052 -9.941 3.196 965 HB2 LYS 40 2HB LYS 40 -6.658 -10.623 0.276 966 HB3 LYS 40 3HB LYS 40 -5.352 -10.253 1.395 967 HG2 LYS 40 2HG LYS 40 -6.137 -12.165 2.805 968 HG3 LYS 40 3HG LYS 40 -7.245 -12.586 1.502 969 HD2 LYS 40 2HD LYS 40 -5.355 -12.865 -0.022 970 HD3 LYS 40 3HD LYS 40 -4.241 -12.420 1.273 971 HE2 LYS 40 2HE LYS 40 -5.032 -14.350 2.584 972 HE3 LYS 40 3HE LYS 40 -6.078 -14.812 1.243 973 HZ1 LYS 40 3HZ LYS 40 -4.035 -15.003 -0.137 974 HZ2 LYS 40 1HZ LYS 40 -4.105 -16.113 1.147 975 HZ3 LYS 40 2HZ LYS 40 -3.109 -14.746 1.261 976 H PHE 41 H PHE 41 -5.489 -8.179 2.778 977 HA PHE 41 HA PHE 41 -7.054 -5.822 2.272 978 HB2 PHE 41 2HB PHE 41 -4.142 -6.048 3.054 979 HB3 PHE 41 3HB PHE 41 -5.152 -4.611 3.174 980 HD1 PHE 41 HD2 PHE 41 -6.998 -4.544 4.836 981 HD2 PHE 41 HD1 PHE 41 -4.160 -7.717 4.737 982 HE1 PHE 41 HE2 PHE 41 -7.639 -5.186 7.123 983 HE2 PHE 41 HE1 PHE 41 -4.800 -8.364 7.024 984 HZ PHE 41 HZ PHE 41 -6.540 -7.098 8.220 985 H ASP 42 H ASP 42 -7.069 -4.631 0.486 986 HA ASP 42 HA ASP 42 -4.813 -4.862 -1.390 987 HB2 ASP 42 2HB ASP 42 -6.761 -6.228 -2.166 988 HB3 ASP 42 3HB ASP 42 -7.732 -4.760 -2.186 989 H ILE 43 H ILE 43 -4.098 -2.970 -2.163 990 HA ILE 43 HA ILE 43 -5.633 -0.540 -1.489 991 HB ILE 43 HB ILE 43 -2.642 -0.756 -1.886 992 HG12 ILE 43 2HG1 ILE 43 -4.186 -0.503 0.704 993 HG13 ILE 43 3HG1 ILE 43 -3.397 -1.974 0.143 994 HG21 ILE 43 1HG2 ILE 43 -4.368 1.486 -0.846 995 HG22 ILE 43 2HG2 ILE 43 -3.538 1.437 -2.402 996 HG23 ILE 43 3HG2 ILE 43 -2.605 1.494 -0.906 997 HD11 ILE 43 3HD1 ILE 43 -2.043 -0.868 1.805 998 HD12 ILE 43 1HD1 ILE 43 -2.043 0.620 0.859 999 HD13 ILE 43 2HD1 ILE 43 -1.231 -0.820 0.240 1000 H ARG 44 H ARG 44 -6.614 0.186 -3.321 1001 HA ARG 44 HA ARG 44 -4.975 0.465 -5.710 1002 HB2 ARG 44 2HB ARG 44 -6.498 -0.675 -7.185 1003 HB3 ARG 44 3HB ARG 44 -5.983 -1.776 -5.916 1004 HG2 ARG 44 2HG ARG 44 -8.103 -1.435 -4.751 1005 HG3 ARG 44 3HG ARG 44 -8.621 -0.326 -6.026 1006 HD2 ARG 44 2HD ARG 44 -9.568 -2.544 -6.374 1007 HD3 ARG 44 3HD ARG 44 -8.444 -2.134 -7.669 1008 HE ARG 44 HE ARG 44 -7.258 -3.613 -5.485 1009 HH11 ARG 44 1HH1 ARG 44 -8.890 -3.842 -8.585 1010 HH12 ARG 44 2HH1 ARG 44 -8.315 -5.442 -8.912 1011 HH21 ARG 44 1HH2 ARG 44 -6.507 -5.706 -5.895 1012 HH22 ARG 44 2HH2 ARG 44 -6.972 -6.516 -7.366 1013 H ALA 45 H ALA 45 -6.341 1.479 -7.525 1014 HA ALA 45 HA ALA 45 -7.951 3.632 -6.329 1015 HB1 ALA 45 3HB ALA 45 -7.271 5.009 -8.232 1016 HB2 ALA 45 1HB ALA 45 -6.340 3.659 -8.880 1017 HB3 ALA 45 2HB ALA 45 -5.869 4.400 -7.351 1018 H TRP 46 H TRP 46 -9.846 4.278 -7.315 1019 HA TRP 46 HA TRP 46 -10.995 2.340 -9.215 1020 HB2 TRP 46 2HB TRP 46 -12.460 4.161 -7.288 1021 HB3 TRP 46 3HB TRP 46 -13.174 2.906 -8.294 1022 HD1 TRP 46 HD1 TRP 46 -11.733 3.482 -4.915 1023 HE1 TRP 46 HE1 TRP 46 -11.568 1.259 -3.628 1024 HE3 TRP 46 HE3 TRP 46 -12.595 0.242 -8.777 1025 HZ2 TRP 46 HZ2 TRP 46 -11.768 -1.496 -4.180 1026 HZ3 TRP 46 HZ3 TRP 46 -12.592 -2.172 -8.311 1027 HH2 TRP 46 HH2 TRP 46 -12.185 -3.024 -6.058 1028 H SER 47 H SER 47 -11.807 3.066 -11.114 1029 HA SER 47 HA SER 47 -11.235 5.798 -11.860 1030 HB2 SER 47 2HB SER 47 -12.628 3.704 -13.532 1031 HB3 SER 47 3HB SER 47 -11.720 5.109 -14.090 1032 HG SER 47 HG SER 47 -10.074 3.725 -12.584 1033 HA PRO 48 HA PRO 48 -15.304 7.364 -11.054 1034 HB2 PRO 48 2HB PRO 48 -15.294 9.494 -12.739 1035 HB3 PRO 48 3HB PRO 48 -14.401 9.472 -11.216 1036 HG2 PRO 48 2HG PRO 48 -13.412 8.986 -13.999 1037 HG3 PRO 48 3HG PRO 48 -12.663 9.917 -12.688 1038 HD2 PRO 48 2HD PRO 48 -11.891 7.400 -13.319 1039 HD3 PRO 48 3HD PRO 48 -11.823 8.036 -11.663 1040 H ASP 49 H ASP 49 -17.181 6.644 -11.762 1041 HA ASP 49 HA ASP 49 -18.806 5.759 -13.052 1042 HB2 ASP 49 2HB ASP 49 -17.629 7.685 -15.052 1043 HB3 ASP 49 3HB ASP 49 -19.073 6.730 -15.379 1044 H HIS 50 H HIS 50 -18.226 3.682 -13.066 1045 HA HIS 50 HA HIS 50 -17.593 1.657 -13.847 1046 HB2 HIS 50 2HB HIS 50 -18.726 2.348 -15.935 1047 HB3 HIS 50 3HB HIS 50 -17.224 3.068 -16.502 1048 HD1 HIS 50 HD1 HIS 50 -15.512 1.529 -17.556 1049 HD2 HIS 50 HD2 HIS 50 -18.719 -0.506 -15.872 1050 HE1 HIS 50 HE1 HIS 50 -15.285 -0.854 -18.333 1051 HE2 HIS 50 HE2 HIS 50 -17.357 -2.011 -17.476 1052 H THR 51 H THR 51 -15.777 1.105 -12.834 1053 HA THR 51 HA THR 51 -13.344 2.505 -13.042 1054 HB THR 51 HB THR 51 -14.005 1.015 -11.128 1055 HG1 THR 51 HG1 THR 51 -11.771 0.124 -10.969 1056 HG21 THR 51 3HG2 THR 51 -14.771 -0.929 -12.385 1057 HG22 THR 51 1HG2 THR 51 -13.466 -1.377 -11.285 1058 HG23 THR 51 2HG2 THR 51 -13.141 -1.185 -13.007 1059 H LYS 52 H LYS 52 -11.434 2.021 -14.118 1060 HA LYS 52 HA LYS 52 -11.859 0.445 -16.571 1061 HB2 LYS 52 2HB LYS 52 -10.175 2.935 -16.209 1062 HB3 LYS 52 3HB LYS 52 -10.448 2.076 -17.719 1063 HG2 LYS 52 2HG LYS 52 -12.746 2.688 -17.746 1064 HG3 LYS 52 3HG LYS 52 -12.653 3.327 -16.105 1065 HD2 LYS 52 2HD LYS 52 -11.170 5.096 -16.851 1066 HD3 LYS 52 3HD LYS 52 -11.175 4.433 -18.487 1067 HE2 LYS 52 2HE LYS 52 -12.694 6.361 -18.232 1068 HE3 LYS 52 3HE LYS 52 -13.536 4.889 -18.714 1069 HZ1 LYS 52 3HZ LYS 52 -14.298 4.590 -16.464 1070 HZ2 LYS 52 1HZ LYS 52 -14.702 6.154 -16.974 1071 HZ3 LYS 52 2HZ LYS 52 -13.394 5.919 -15.932 1072 H MET 53 H MET 53 -9.048 1.944 -14.992 1073 HA MET 53 HA MET 53 -7.697 -0.658 -15.145 1074 HB2 MET 53 2HB MET 53 -6.592 2.149 -15.137 1075 HB3 MET 53 3HB MET 53 -5.585 0.744 -14.827 1076 HG2 MET 53 2HG MET 53 -5.295 1.269 -17.097 1077 HG3 MET 53 3HG MET 53 -6.337 -0.149 -17.056 1078 HE1 MET 53 3HE MET 53 -6.091 3.694 -17.681 1079 HE2 MET 53 1HE MET 53 -7.259 3.638 -16.361 1080 HE3 MET 53 2HE MET 53 -7.772 4.142 -17.972 1081 H GLY 54 H GLY 54 -8.209 -1.613 -13.262 1082 HA2 GLY 54 2HA GLY 54 -8.223 -0.127 -10.776 1083 HA3 GLY 54 3HA GLY 54 -8.557 -1.842 -10.973 1084 H LYS 55 H LYS 55 -5.842 0.402 -11.406 1085 HA LYS 55 HA LYS 55 -3.920 -1.642 -10.852 1086 HB2 LYS 55 2HB LYS 55 -2.273 0.231 -10.955 1087 HB3 LYS 55 3HB LYS 55 -3.286 0.082 -12.382 1088 HG2 LYS 55 2HG LYS 55 -4.704 1.919 -11.493 1089 HG3 LYS 55 3HG LYS 55 -3.548 2.114 -10.173 1090 HD2 LYS 55 2HD LYS 55 -1.778 2.584 -11.786 1091 HD3 LYS 55 3HD LYS 55 -2.916 2.356 -13.115 1092 HE2 LYS 55 2HE LYS 55 -4.254 4.239 -12.235 1093 HE3 LYS 55 3HE LYS 55 -3.032 4.491 -10.988 1094 HZ1 LYS 55 3HZ LYS 55 -1.399 4.887 -12.752 1095 HZ2 LYS 55 1HZ LYS 55 -2.681 5.994 -12.826 1096 HZ3 LYS 55 2HZ LYS 55 -2.616 4.703 -13.922 1097 H GLY 56 H GLY 56 -3.101 -2.243 -9.008 1098 HA2 GLY 56 2HA GLY 56 -2.679 -0.626 -6.751 1099 HA3 GLY 56 3HA GLY 56 -4.185 -1.517 -6.550 1100 H ILE 57 H ILE 57 -2.700 -2.320 -4.696 1101 HA ILE 57 HA ILE 57 -1.429 -4.775 -5.651 1102 HB ILE 57 HB ILE 57 0.399 -3.217 -5.348 1103 HG12 ILE 57 2HG1 ILE 57 0.365 -5.162 -3.039 1104 HG13 ILE 57 3HG1 ILE 57 0.652 -5.630 -4.710 1105 HG21 ILE 57 1HG2 ILE 57 -0.595 -1.662 -3.790 1106 HG22 ILE 57 2HG2 ILE 57 0.925 -2.272 -3.134 1107 HG23 ILE 57 3HG2 ILE 57 -0.611 -2.892 -2.527 1108 HD11 ILE 57 3HD1 ILE 57 2.349 -3.767 -3.070 1109 HD12 ILE 57 1HD1 ILE 57 2.630 -4.196 -4.758 1110 HD13 ILE 57 2HD1 ILE 57 2.732 -5.433 -3.502 1111 H THR 58 H THR 58 -1.887 -6.517 -4.502 1112 HA THR 58 HA THR 58 -3.591 -6.266 -2.168 1113 HB THR 58 HB THR 58 -2.640 -8.855 -3.384 1114 HG1 THR 58 HG1 THR 58 -4.675 -7.074 -4.319 1115 HG21 THR 58 3HG2 THR 58 -5.200 -8.041 -1.996 1116 HG22 THR 58 1HG2 THR 58 -3.896 -8.998 -1.292 1117 HG23 THR 58 2HG2 THR 58 -4.844 -9.648 -2.628 1118 H LEU 59 H LEU 59 -2.994 -6.778 -0.105 1119 HA LEU 59 HA LEU 59 -0.201 -7.650 0.304 1120 HB2 LEU 59 2HB LEU 59 -1.804 -5.755 2.031 1121 HB3 LEU 59 3HB LEU 59 -0.157 -6.275 2.331 1122 HG LEU 59 HG LEU 59 -1.067 -4.589 -0.008 1123 HD11 LEU 59 1HD1 LEU 59 0.534 -3.862 2.441 1124 HD12 LEU 59 2HD1 LEU 59 -1.137 -3.397 2.125 1125 HD13 LEU 59 3HD1 LEU 59 0.156 -2.794 1.089 1126 HD21 LEU 59 3HD2 LEU 59 1.327 -4.321 -0.454 1127 HD22 LEU 59 1HD2 LEU 59 0.827 -6.007 -0.591 1128 HD23 LEU 59 2HD2 LEU 59 1.694 -5.457 0.842 1129 H SER 60 H SER 60 0.185 -9.146 1.897 1130 HA SER 60 HA SER 60 -2.067 -10.691 2.834 1131 HB2 SER 60 2HB SER 60 0.857 -10.988 3.573 1132 HB3 SER 60 3HB SER 60 -0.408 -12.203 3.754 1133 HG SER 60 HG SER 60 1.063 -11.485 1.539 1134 H ASN 61 H ASN 61 -2.113 -11.334 5.225 1135 HA ASN 61 HA ASN 61 -2.710 -9.102 6.778 1136 HB2 ASN 61 2HB ASN 61 -2.052 -11.925 7.642 1137 HB3 ASN 61 3HB ASN 61 -2.679 -10.693 8.729 1138 HD21 ASN 61 1HD2 ASN 61 -4.517 -11.871 9.181 1139 HD22 ASN 61 2HD2 ASN 61 -5.793 -12.070 8.026 1140 H GLU 62 H GLU 62 0.138 -11.220 6.969 1141 HA GLU 62 HA GLU 62 1.503 -9.865 8.981 1142 HB2 GLU 62 2HB GLU 62 2.437 -11.577 6.696 1143 HB3 GLU 62 3HB GLU 62 3.582 -10.864 7.822 1144 HG2 GLU 62 2HG GLU 62 2.982 -13.197 8.350 1145 HG3 GLU 62 3HG GLU 62 2.623 -12.069 9.654 1146 H GLU 63 H GLU 63 1.748 -9.477 5.469 1147 HA GLU 63 HA GLU 63 3.747 -7.540 5.392 1148 HB2 GLU 63 2HB GLU 63 1.380 -7.824 3.529 1149 HB3 GLU 63 3HB GLU 63 2.896 -7.012 3.166 1150 HG2 GLU 63 2HG GLU 63 4.091 -9.035 3.113 1151 HG3 GLU 63 3HG GLU 63 2.778 -9.921 3.890 1152 H PHE 64 H PHE 64 0.237 -7.193 5.524 1153 HA PHE 64 HA PHE 64 0.118 -4.395 5.429 1154 HB2 PHE 64 2HB PHE 64 -1.722 -6.257 5.234 1155 HB3 PHE 64 3HB PHE 64 -1.877 -6.013 6.968 1156 HD1 PHE 64 HD1 PHE 64 -1.969 -4.232 3.722 1157 HD2 PHE 64 HD2 PHE 64 -3.177 -4.269 7.800 1158 HE1 PHE 64 HE1 PHE 64 -3.455 -2.323 3.293 1159 HE2 PHE 64 HE2 PHE 64 -4.662 -2.355 7.378 1160 HZ PHE 64 HZ PHE 64 -4.804 -1.383 5.123 1161 H GLN 65 H GLN 65 -0.066 -6.597 8.228 1162 HA GLN 65 HA GLN 65 -0.044 -4.694 10.242 1163 HB2 GLN 65 2HB GLN 65 1.157 -7.467 10.219 1164 HB3 GLN 65 3HB GLN 65 0.955 -6.496 11.669 1165 HG2 GLN 65 2HG GLN 65 -1.396 -7.075 9.931 1166 HG3 GLN 65 3HG GLN 65 -0.798 -8.303 11.041 1167 HE21 GLN 65 1HE2 GLN 65 -0.549 -4.927 11.845 1168 HE22 GLN 65 2HE2 GLN 65 -1.784 -4.910 13.050 1169 H THR 66 H THR 66 2.666 -6.075 8.454 1170 HA THR 66 HA THR 66 4.748 -5.144 10.072 1171 HB THR 66 HB THR 66 4.763 -5.611 7.082 1172 HG1 THR 66 HG1 THR 66 4.225 -7.490 8.224 1173 HG21 THR 66 3HG2 THR 66 6.680 -4.261 7.805 1174 HG22 THR 66 1HG2 THR 66 7.183 -5.882 7.325 1175 HG23 THR 66 2HG2 THR 66 7.066 -5.464 9.033 1176 H MET 67 H MET 67 3.244 -3.626 7.197 1177 HA MET 67 HA MET 67 4.926 -1.361 7.246 1178 HB2 MET 67 2HB MET 67 3.526 -0.400 5.600 1179 HB3 MET 67 3HB MET 67 3.495 -2.128 5.296 1180 HG2 MET 67 2HG MET 67 1.325 -2.327 6.279 1181 HG3 MET 67 3HG MET 67 1.367 -0.650 6.814 1182 HE1 MET 67 3HE MET 67 -1.187 -1.462 5.381 1183 HE2 MET 67 1HE MET 67 -1.349 -0.194 4.168 1184 HE3 MET 67 2HE MET 67 -0.785 0.206 5.789 1185 H VAL 68 H VAL 68 1.871 -2.082 8.836 1186 HA VAL 68 HA VAL 68 1.289 0.512 9.766 1187 HB VAL 68 HB VAL 68 0.609 -2.159 11.017 1188 HG11 VAL 68 1HG1 VAL 68 0.437 -0.357 12.649 1189 HG12 VAL 68 2HG1 VAL 68 -1.162 -0.953 12.201 1190 HG13 VAL 68 3HG1 VAL 68 -0.568 0.569 11.535 1191 HG21 VAL 68 3HG2 VAL 68 -1.590 -1.795 9.956 1192 HG22 VAL 68 1HG2 VAL 68 -0.284 -1.959 8.783 1193 HG23 VAL 68 2HG2 VAL 68 -0.942 -0.366 9.158 1194 H ASP 69 H ASP 69 2.777 -2.212 11.480 1195 HA ASP 69 HA ASP 69 3.554 -0.940 13.806 1196 HB2 ASP 69 2HB ASP 69 3.644 -3.366 13.466 1197 HB3 ASP 69 3HB ASP 69 4.952 -3.169 12.308 1198 H ALA 70 H ALA 70 5.438 -1.400 10.836 1199 HA ALA 70 HA ALA 70 7.769 -0.131 11.749 1200 HB1 ALA 70 3HB ALA 70 7.737 -1.674 9.867 1201 HB2 ALA 70 1HB ALA 70 8.465 -0.132 9.419 1202 HB3 ALA 70 2HB ALA 70 6.816 -0.507 8.918 1203 H PHE 71 H PHE 71 5.126 1.147 9.680 1204 HA PHE 71 HA PHE 71 6.373 3.684 9.413 1205 HB2 PHE 71 2HB PHE 71 3.591 2.730 8.806 1206 HB3 PHE 71 3HB PHE 71 4.072 4.411 8.588 1207 HD1 PHE 71 HD1 PHE 71 6.812 4.121 7.598 1208 HD2 PHE 71 HD2 PHE 71 3.300 1.912 6.645 1209 HE1 PHE 71 HE1 PHE 71 7.758 3.577 5.393 1210 HE2 PHE 71 HE2 PHE 71 4.242 1.365 4.439 1211 HZ PHE 71 HZ PHE 71 6.470 2.196 3.811 1212 H LYS 72 H LYS 72 4.130 2.359 11.743 1213 HA LYS 72 HA LYS 72 3.412 4.776 13.001 1214 HB2 LYS 72 2HB LYS 72 2.237 2.716 13.512 1215 HB3 LYS 72 3HB LYS 72 3.711 1.989 14.144 1216 HG2 LYS 72 2HG LYS 72 3.729 3.476 16.008 1217 HG3 LYS 72 3HG LYS 72 2.411 4.430 15.325 1218 HD2 LYS 72 2HD LYS 72 0.905 2.522 15.551 1219 HD3 LYS 72 3HD LYS 72 2.227 1.553 16.214 1220 HE2 LYS 72 2HE LYS 72 1.243 4.125 17.435 1221 HE3 LYS 72 3HE LYS 72 0.674 2.526 17.919 1222 HZ1 LYS 72 3HZ LYS 72 3.529 3.338 17.985 1223 HZ2 LYS 72 1HZ LYS 72 2.834 1.937 18.648 1224 HZ3 LYS 72 2HZ LYS 72 2.489 3.457 19.318 1225 H GLY 73 H GLY 73 6.234 2.729 13.221 1226 HA2 GLY 73 2HA GLY 73 7.388 4.558 15.223 1227 HA3 GLY 73 3HA GLY 73 7.988 2.950 14.842 1228 H ASN 74 H ASN 74 7.102 5.149 12.286 1229 HA ASN 74 HA ASN 74 9.919 5.796 11.813 1230 HB2 ASN 74 2HB ASN 74 9.515 3.719 10.582 1231 HB3 ASN 74 3HB ASN 74 8.137 4.450 9.770 1232 HD21 ASN 74 1HD2 ASN 74 11.170 6.112 10.416 1233 HD22 ASN 74 2HD2 ASN 74 11.651 6.231 8.759 1234 H LEU 75 H LEU 75 6.791 6.084 10.078 1235 HA LEU 75 HA LEU 75 7.633 8.654 9.079 1236 HB2 LEU 75 2HB LEU 75 6.377 7.035 7.677 1237 HB3 LEU 75 3HB LEU 75 4.979 7.268 8.710 1238 HG LEU 75 HG LEU 75 4.976 9.683 8.080 1239 HD11 LEU 75 1HD1 LEU 75 7.298 9.934 7.467 1240 HD12 LEU 75 2HD1 LEU 75 6.260 10.361 6.105 1241 HD13 LEU 75 3HD1 LEU 75 7.092 8.805 6.128 1242 HD21 LEU 75 3HD2 LEU 75 4.748 7.692 5.829 1243 HD22 LEU 75 1HD2 LEU 75 4.115 9.338 5.794 1244 HD23 LEU 75 2HD2 LEU 75 3.475 8.175 6.952 1245 H GLU 76 H GLU 76 5.585 7.485 11.648 1246 HA GLU 76 HA GLU 76 4.063 9.825 12.019 1247 HB2 GLU 76 2HB GLU 76 3.458 7.761 13.188 1248 HB3 GLU 76 3HB GLU 76 4.960 7.823 14.107 1249 HG2 GLU 76 2HG GLU 76 4.228 10.001 15.052 1250 HG3 GLU 76 3HG GLU 76 2.687 9.794 14.230 1251 H HIS 77 H HIS 77 4.826 11.765 12.324 1252 HA HIS 77 HA HIS 77 7.010 12.132 14.250 1253 HB2 HIS 77 2HB HIS 77 6.815 13.285 11.480 1254 HB3 HIS 77 3HB HIS 77 7.732 14.098 12.742 1255 HD1 HIS 77 HD1 HIS 77 9.671 12.559 13.860 1256 HD2 HIS 77 HD2 HIS 77 8.218 11.384 10.143 1257 HE1 HIS 77 HE1 HIS 77 11.405 10.997 12.915 1258 HE2 HIS 77 HE2 HIS 77 10.605 10.476 10.579 1259 H HIS 78 H HIS 78 6.053 13.095 15.878 1260 HA HIS 78 HA HIS 78 4.183 15.288 15.374 1261 HB2 HIS 78 2HB HIS 78 5.148 14.101 17.995 1262 HB3 HIS 78 3HB HIS 78 3.916 15.346 17.833 1263 HD1 HIS 78 HD1 HIS 78 1.593 14.492 17.891 1264 HD2 HIS 78 HD2 HIS 78 4.290 11.601 16.597 1265 HE1 HIS 78 HE1 HIS 78 0.239 12.392 17.558 1266 HE2 HIS 78 HE2 HIS 78 1.895 10.644 16.790 1267 H HIS 79 H HIS 79 4.700 17.445 16.033 1268 HA HIS 79 HA HIS 79 7.470 18.061 15.706 1269 HB2 HIS 79 2HB HIS 79 5.381 19.478 15.056 1270 HB3 HIS 79 3HB HIS 79 5.458 20.045 16.721 1271 HD1 HIS 79 HD1 HIS 79 6.226 22.407 16.310 1272 HD2 HIS 79 HD2 HIS 79 8.619 19.577 14.426 1273 HE1 HIS 79 HE1 HIS 79 8.202 23.675 15.418 1274 HE2 HIS 79 HE2 HIS 79 9.504 21.985 14.078 1275 H HIS 80 H HIS 80 5.668 17.028 18.280 1276 HA HIS 80 HA HIS 80 7.619 18.065 20.218 1277 HB2 HIS 80 2HB HIS 80 4.880 16.853 20.670 1278 HB3 HIS 80 3HB HIS 80 5.992 17.305 21.955 1279 HD1 HIS 80 HD1 HIS 80 3.322 18.605 22.048 1280 HD2 HIS 80 HD2 HIS 80 6.492 20.201 19.872 1281 HE1 HIS 80 HE1 HIS 80 2.801 21.050 21.781 1282 HE2 HIS 80 HE2 HIS 80 4.690 21.983 20.401 1283 H HIS 81 H HIS 81 9.282 16.698 20.192 1284 HA HIS 81 HA HIS 81 10.522 14.907 20.776 1285 HB2 HIS 81 2HB HIS 81 7.930 13.682 21.709 1286 HB3 HIS 81 3HB HIS 81 9.543 13.101 22.100 1287 HD1 HIS 81 HD1 HIS 81 7.023 14.560 23.829 1288 HD2 HIS 81 HD2 HIS 81 10.952 15.776 23.193 1289 HE1 HIS 81 HE1 HIS 81 7.539 16.182 25.677 1290 HE2 HIS 81 HE2 HIS 81 9.983 16.728 25.403 1291 H HIS 82 H HIS 82 11.027 14.523 18.604 1292 HA HIS 82 HA HIS 82 11.604 13.032 17.012 1293 HB2 HIS 82 2HB HIS 82 10.099 11.156 18.810 1294 HB3 HIS 82 3HB HIS 82 10.765 10.619 17.272 1295 HD1 HIS 82 HD1 HIS 82 13.237 10.172 17.153 1296 HD2 HIS 82 HD2 HIS 82 12.074 11.905 20.748 1297 HE1 HIS 82 HE1 HIS 82 15.242 10.016 18.662 1298 HE2 HIS 82 HE2 HIS 82 14.409 10.805 20.906 Start of MODEL 8 1 H1 MET 1 1H MET 1 17.420 1.399 -23.023 2 H2 MET 1 2H MET 1 16.218 2.588 -22.911 3 H3 MET 1 3H MET 1 16.484 1.523 -21.619 4 HA MET 1 HA MET 1 17.406 3.696 -21.165 5 HB2 MET 1 2HB MET 1 18.479 1.781 -20.143 6 HB3 MET 1 3HB MET 1 19.412 1.477 -21.601 7 HG2 MET 1 2HG MET 1 20.778 2.510 -19.884 8 HG3 MET 1 3HG MET 1 20.617 3.562 -21.288 9 HE1 MET 1 3HE MET 1 19.533 2.907 -17.571 10 HE2 MET 1 1HE MET 1 17.993 2.885 -18.428 11 HE3 MET 1 2HE MET 1 18.359 4.196 -17.307 12 H LYS 2 H LYS 2 17.574 5.426 -22.428 13 HA LYS 2 HA LYS 2 19.930 5.648 -24.117 14 HB2 LYS 2 2HB LYS 2 18.062 4.787 -25.590 15 HB3 LYS 2 3HB LYS 2 17.207 6.279 -25.260 16 HG2 LYS 2 2HG LYS 2 18.305 6.424 -27.396 17 HG3 LYS 2 3HG LYS 2 19.053 7.551 -26.259 18 HD2 LYS 2 2HD LYS 2 20.806 6.463 -27.457 19 HD3 LYS 2 3HD LYS 2 20.790 5.820 -25.814 20 HE2 LYS 2 2HE LYS 2 21.085 3.980 -27.305 21 HE3 LYS 2 3HE LYS 2 19.447 3.891 -26.662 22 HZ1 LYS 2 3HZ LYS 2 20.285 4.806 -29.356 23 HZ2 LYS 2 1HZ LYS 2 18.717 5.035 -28.745 24 HZ3 LYS 2 2HZ LYS 2 19.316 3.468 -28.965 25 H LYS 3 H LYS 3 20.681 7.774 -24.229 26 HA LYS 3 HA LYS 3 19.466 9.621 -22.406 27 HB2 LYS 3 2HB LYS 3 21.923 9.490 -22.679 28 HB3 LYS 3 3HB LYS 3 21.752 10.108 -24.318 29 HG2 LYS 3 2HG LYS 3 21.210 12.229 -23.614 30 HG3 LYS 3 3HG LYS 3 20.620 11.676 -22.048 31 HD2 LYS 3 2HD LYS 3 23.516 11.641 -22.896 32 HD3 LYS 3 3HD LYS 3 22.771 12.920 -21.934 33 HE2 LYS 3 2HE LYS 3 23.011 10.011 -21.172 34 HE3 LYS 3 3HE LYS 3 23.938 11.348 -20.495 35 HZ1 LYS 3 3HZ LYS 3 22.176 10.821 -18.992 36 HZ2 LYS 3 1HZ LYS 3 21.014 10.886 -20.227 37 HZ3 LYS 3 2HZ LYS 3 21.796 12.302 -19.720 38 H MET 4 H MET 4 17.481 9.883 -23.233 39 HA MET 4 HA MET 4 17.189 11.923 -25.277 40 HB2 MET 4 2HB MET 4 17.049 9.540 -26.302 41 HB3 MET 4 3HB MET 4 15.550 9.376 -25.403 42 HG2 MET 4 2HG MET 4 14.556 11.177 -26.635 43 HG3 MET 4 3HG MET 4 16.082 11.517 -27.445 44 HE1 MET 4 3HE MET 4 13.594 7.680 -28.111 45 HE2 MET 4 1HE MET 4 13.118 8.985 -27.022 46 HE3 MET 4 2HE MET 4 14.514 7.977 -26.636 47 H ALA 5 H ALA 5 14.474 12.209 -25.263 48 HA ALA 5 HA ALA 5 13.715 12.811 -22.619 49 HB1 ALA 5 3HB ALA 5 12.655 13.895 -24.528 50 HB2 ALA 5 1HB ALA 5 11.449 13.097 -23.522 51 HB3 ALA 5 2HB ALA 5 11.961 12.355 -25.038 52 H GLU 6 H GLU 6 14.092 11.030 -21.330 53 HA GLU 6 HA GLU 6 12.205 8.811 -21.594 54 HB2 GLU 6 2HB GLU 6 14.380 8.204 -22.679 55 HB3 GLU 6 3HB GLU 6 15.173 8.448 -21.133 56 HG2 GLU 6 2HG GLU 6 14.179 6.569 -20.189 57 HG3 GLU 6 3HG GLU 6 12.917 6.504 -21.419 58 H PHE 7 H PHE 7 11.388 8.186 -19.666 59 HA PHE 7 HA PHE 7 12.049 9.849 -17.398 60 HB2 PHE 7 2HB PHE 7 9.980 7.653 -17.588 61 HB3 PHE 7 3HB PHE 7 10.085 8.895 -16.344 62 HD1 PHE 7 HD1 PHE 7 10.344 11.365 -17.601 63 HD2 PHE 7 HD2 PHE 7 8.192 7.965 -18.979 64 HE1 PHE 7 HE1 PHE 7 8.889 12.832 -18.934 65 HE2 PHE 7 HE2 PHE 7 6.733 9.424 -20.317 66 HZ PHE 7 HZ PHE 7 7.083 11.861 -20.295 67 H THR 8 H THR 8 13.915 9.243 -16.469 68 HA THR 8 HA THR 8 14.557 6.486 -15.997 69 HB THR 8 HB THR 8 16.499 7.453 -14.715 70 HG1 THR 8 HG1 THR 8 15.979 9.449 -14.067 71 HG21 THR 8 3HG2 THR 8 16.683 6.876 -17.092 72 HG22 THR 8 1HG2 THR 8 17.656 8.295 -16.701 73 HG23 THR 8 2HG2 THR 8 16.111 8.486 -17.530 74 H PHE 9 H PHE 9 13.688 5.345 -14.400 75 HA PHE 9 HA PHE 9 12.918 6.753 -11.949 76 HB2 PHE 9 2HB PHE 9 11.663 4.601 -11.429 77 HB3 PHE 9 3HB PHE 9 11.034 5.571 -12.752 78 HD1 PHE 9 HD2 PHE 9 11.229 4.799 -15.056 79 HD2 PHE 9 HD1 PHE 9 12.590 2.419 -11.802 80 HE1 PHE 9 HE2 PHE 9 11.297 2.832 -16.530 81 HE2 PHE 9 HE1 PHE 9 12.654 0.443 -13.271 82 HZ PHE 9 HZ PHE 9 12.010 0.649 -15.637 83 H GLU 10 H GLU 10 13.993 6.454 -10.140 84 HA GLU 10 HA GLU 10 15.831 4.174 -9.918 85 HB2 GLU 10 2HB GLU 10 16.953 6.324 -10.770 86 HB3 GLU 10 3HB GLU 10 16.653 6.977 -9.168 87 HG2 GLU 10 2HG GLU 10 17.978 5.144 -8.200 88 HG3 GLU 10 3HG GLU 10 18.326 4.563 -9.830 89 H ILE 11 H ILE 11 16.232 3.513 -7.764 90 HA ILE 11 HA ILE 11 14.148 4.260 -5.922 91 HB ILE 11 HB ILE 11 16.514 2.435 -5.459 92 HG12 ILE 11 2HG1 ILE 11 13.661 1.755 -6.222 93 HG13 ILE 11 3HG1 ILE 11 15.038 1.701 -7.322 94 HG21 ILE 11 1HG2 ILE 11 15.536 3.257 -3.384 95 HG22 ILE 11 2HG2 ILE 11 15.160 1.548 -3.604 96 HG23 ILE 11 3HG2 ILE 11 13.931 2.770 -3.931 97 HD11 ILE 11 3HD1 ILE 11 16.057 -0.042 -5.952 98 HD12 ILE 11 1HD1 ILE 11 14.457 -0.515 -6.521 99 HD13 ILE 11 2HD1 ILE 11 14.679 0.015 -4.853 100 H GLU 12 H GLU 12 14.251 5.953 -4.656 101 HA GLU 12 HA GLU 12 16.770 7.268 -4.110 102 HB2 GLU 12 2HB GLU 12 13.888 7.909 -3.744 103 HB3 GLU 12 3HB GLU 12 15.044 8.727 -2.704 104 HG2 GLU 12 2HG GLU 12 15.550 8.668 -5.626 105 HG3 GLU 12 3HG GLU 12 14.304 9.744 -5.000 106 H GLU 13 H GLU 13 14.243 5.583 -2.304 107 HA GLU 13 HA GLU 13 16.112 5.025 -0.172 108 HB2 GLU 13 2HB GLU 13 15.214 7.328 0.289 109 HB3 GLU 13 3HB GLU 13 13.613 6.622 0.416 110 HG2 GLU 13 2HG GLU 13 14.305 5.313 2.325 111 HG3 GLU 13 3HG GLU 13 15.954 5.920 2.168 112 H HIS 14 H HIS 14 15.730 3.023 0.516 113 HA HIS 14 HA HIS 14 13.237 1.679 -0.065 114 HB2 HIS 14 2HB HIS 14 15.676 0.809 1.509 115 HB3 HIS 14 3HB HIS 14 14.271 -0.215 1.242 116 HD1 HIS 14 HD1 HIS 14 14.232 -1.559 -0.892 117 HD2 HIS 14 HD2 HIS 14 17.113 1.453 -0.935 118 HE1 HIS 14 HE1 HIS 14 15.601 -1.948 -2.962 119 HE2 HIS 14 HE2 HIS 14 17.479 -0.278 -2.826 120 H LEU 15 H LEU 15 11.478 1.915 1.157 121 HA LEU 15 HA LEU 15 11.745 3.084 3.804 122 HB2 LEU 15 2HB LEU 15 9.313 2.451 2.135 123 HB3 LEU 15 3HB LEU 15 9.264 3.221 3.709 124 HG LEU 15 HG LEU 15 10.610 4.372 1.264 125 HD11 LEU 15 1HD1 LEU 15 8.750 5.953 1.263 126 HD12 LEU 15 2HD1 LEU 15 8.000 5.079 2.598 127 HD13 LEU 15 3HD1 LEU 15 8.188 4.300 1.028 128 HD21 LEU 15 3HD2 LEU 15 10.801 6.398 2.600 129 HD22 LEU 15 1HD2 LEU 15 11.639 5.059 3.385 130 HD23 LEU 15 2HD2 LEU 15 10.061 5.578 3.977 131 H LEU 16 H LEU 16 10.176 0.239 2.344 132 HA LEU 16 HA LEU 16 10.560 -1.250 4.802 133 HB2 LEU 16 2HB LEU 16 8.280 0.225 4.601 134 HB3 LEU 16 3HB LEU 16 7.761 -1.291 3.893 135 HG LEU 16 HG LEU 16 8.841 -0.879 6.682 136 HD11 LEU 16 1HD1 LEU 16 6.141 -1.612 5.587 137 HD12 LEU 16 2HD1 LEU 16 6.582 -0.137 6.451 138 HD13 LEU 16 3HD1 LEU 16 6.580 -1.687 7.291 139 HD21 LEU 16 3HD2 LEU 16 7.981 -3.427 5.320 140 HD22 LEU 16 1HD2 LEU 16 8.348 -3.251 7.038 141 HD23 LEU 16 2HD2 LEU 16 9.618 -3.021 5.833 142 H THR 17 H THR 17 11.400 -3.057 3.991 143 HA THR 17 HA THR 17 10.320 -4.232 1.550 144 HB THR 17 HB THR 17 12.490 -5.319 3.368 145 HG1 THR 17 HG1 THR 17 12.702 -3.722 0.994 146 HG21 THR 17 3HG2 THR 17 11.765 -5.978 0.509 147 HG22 THR 17 1HG2 THR 17 11.466 -6.999 1.914 148 HG23 THR 17 2HG2 THR 17 13.121 -6.659 1.410 149 H LEU 18 H LEU 18 8.470 -5.330 1.770 150 HA LEU 18 HA LEU 18 7.503 -6.005 4.374 151 HB2 LEU 18 2HB LEU 18 6.311 -6.550 1.656 152 HB3 LEU 18 3HB LEU 18 5.479 -6.736 3.188 153 HG LEU 18 HG LEU 18 6.526 -4.125 2.090 154 HD11 LEU 18 1HD1 LEU 18 4.183 -3.566 1.742 155 HD12 LEU 18 2HD1 LEU 18 3.709 -5.172 2.301 156 HD13 LEU 18 3HD1 LEU 18 4.634 -4.994 0.809 157 HD21 LEU 18 3HD2 LEU 18 6.516 -4.224 4.541 158 HD22 LEU 18 1HD2 LEU 18 4.818 -4.702 4.510 159 HD23 LEU 18 2HD2 LEU 18 5.296 -3.107 3.928 160 H SER 19 H SER 19 7.792 -8.056 1.454 161 HA SER 19 HA SER 19 8.846 -10.278 2.893 162 HB2 SER 19 2HB SER 19 6.631 -11.644 2.472 163 HB3 SER 19 3HB SER 19 6.792 -10.650 3.922 164 HG SER 19 HG SER 19 5.027 -10.418 1.874 165 H GLU 20 H GLU 20 8.603 -12.356 1.549 166 HA GLU 20 HA GLU 20 8.696 -11.665 -1.320 167 HB2 GLU 20 2HB GLU 20 10.890 -12.308 -0.248 168 HB3 GLU 20 3HB GLU 20 10.204 -13.895 0.058 169 HG2 GLU 20 2HG GLU 20 9.878 -14.194 -2.360 170 HG3 GLU 20 3HG GLU 20 10.651 -12.633 -2.636 171 H ASN 21 H ASN 21 7.249 -12.688 -2.584 172 HA ASN 21 HA ASN 21 5.501 -14.633 -1.274 173 HB2 ASN 21 2HB ASN 21 5.169 -12.882 -3.698 174 HB3 ASN 21 3HB ASN 21 4.061 -14.207 -3.359 175 HD21 ASN 21 1HD2 ASN 21 5.584 -12.245 -0.900 176 HD22 ASN 21 2HD2 ASN 21 4.133 -11.463 -0.351 177 H GLU 22 H GLU 22 5.470 -16.677 -1.723 178 HA GLU 22 HA GLU 22 5.884 -18.703 -2.626 179 HB2 GLU 22 2HB GLU 22 5.319 -17.061 -5.084 180 HB3 GLU 22 3HB GLU 22 5.649 -18.785 -5.189 181 HG2 GLU 22 2HG GLU 22 3.325 -18.626 -5.167 182 HG3 GLU 22 3HG GLU 22 3.749 -19.087 -3.524 183 H LYS 23 H LYS 23 8.162 -17.035 -2.063 184 HA LYS 23 HA LYS 23 10.380 -16.762 -2.425 185 HB2 LYS 23 2HB LYS 23 9.963 -19.395 -2.231 186 HB3 LYS 23 3HB LYS 23 10.578 -19.357 -3.876 187 HG2 LYS 23 2HG LYS 23 12.183 -17.816 -1.980 188 HG3 LYS 23 3HG LYS 23 12.092 -19.535 -1.609 189 HD2 LYS 23 2HD LYS 23 13.989 -19.294 -2.974 190 HD3 LYS 23 3HD LYS 23 12.739 -19.943 -4.034 191 HE2 LYS 23 2HE LYS 23 13.982 -18.187 -5.159 192 HE3 LYS 23 3HE LYS 23 12.315 -17.683 -4.897 193 HZ1 LYS 23 3HZ LYS 23 13.030 -16.368 -3.002 194 HZ2 LYS 23 1HZ LYS 23 13.891 -15.909 -4.389 195 HZ3 LYS 23 2HZ LYS 23 14.637 -16.875 -3.216 196 H GLY 24 H GLY 24 10.290 -15.066 -3.856 197 HA2 GLY 24 2HA GLY 24 11.684 -15.005 -6.110 198 HA3 GLY 24 3HA GLY 24 10.144 -15.604 -6.711 199 H TRP 25 H TRP 25 8.213 -14.229 -5.756 200 HA TRP 25 HA TRP 25 8.777 -11.587 -6.808 201 HB2 TRP 25 2HB TRP 25 6.218 -13.020 -6.113 202 HB3 TRP 25 3HB TRP 25 6.253 -11.323 -6.593 203 HD1 TRP 25 HD1 TRP 25 7.147 -14.812 -8.020 204 HE1 TRP 25 HE1 TRP 25 7.003 -14.680 -10.592 205 HE3 TRP 25 HE3 TRP 25 6.224 -9.806 -8.523 206 HZ2 TRP 25 HZ2 TRP 25 6.556 -12.709 -12.561 207 HZ3 TRP 25 HZ3 TRP 25 5.946 -8.879 -10.784 208 HH2 TRP 25 HH2 TRP 25 6.110 -10.302 -12.758 209 H THR 26 H THR 26 9.713 -10.287 -5.399 210 HA THR 26 HA THR 26 9.013 -10.378 -2.578 211 HB THR 26 HB THR 26 10.984 -8.512 -3.908 212 HG1 THR 26 HG1 THR 26 11.124 -11.068 -4.091 213 HG21 THR 26 3HG2 THR 26 12.085 -8.573 -1.722 214 HG22 THR 26 1HG2 THR 26 10.850 -9.682 -1.125 215 HG23 THR 26 2HG2 THR 26 10.415 -8.031 -1.565 216 H LYS 27 H LYS 27 7.950 -8.744 -1.475 217 HA LYS 27 HA LYS 27 6.831 -6.611 -3.173 218 HB2 LYS 27 2HB LYS 27 5.259 -8.374 -2.240 219 HB3 LYS 27 3HB LYS 27 5.595 -7.707 -0.651 220 HG2 LYS 27 2HG LYS 27 4.398 -5.804 -1.040 221 HG3 LYS 27 3HG LYS 27 4.684 -5.851 -2.783 222 HD2 LYS 27 2HD LYS 27 2.337 -6.353 -2.194 223 HD3 LYS 27 3HD LYS 27 3.129 -7.690 -3.029 224 HE2 LYS 27 2HE LYS 27 3.606 -8.660 -0.752 225 HE3 LYS 27 3HE LYS 27 2.524 -7.436 -0.093 226 HZ1 LYS 27 3HZ LYS 27 1.778 -9.498 -2.104 227 HZ2 LYS 27 1HZ LYS 27 0.738 -8.331 -1.455 228 HZ3 LYS 27 2HZ LYS 27 1.385 -9.540 -0.455 229 H GLU 28 H GLU 28 7.367 -4.593 -2.679 230 HA GLU 28 HA GLU 28 8.473 -4.006 -0.029 231 HB2 GLU 28 2HB GLU 28 10.395 -4.634 -1.328 232 HB3 GLU 28 3HB GLU 28 9.886 -3.616 -2.668 233 HG2 GLU 28 2HG GLU 28 10.248 -1.629 -1.284 234 HG3 GLU 28 3HG GLU 28 10.777 -2.658 0.044 235 H ILE 29 H ILE 29 8.474 -1.854 0.559 236 HA ILE 29 HA ILE 29 7.002 0.006 -1.195 237 HB ILE 29 HB ILE 29 7.255 0.061 1.825 238 HG12 ILE 29 2HG1 ILE 29 4.877 -0.648 0.087 239 HG13 ILE 29 3HG1 ILE 29 5.850 -1.798 1.000 240 HG21 ILE 29 1HG2 ILE 29 5.582 1.845 1.725 241 HG22 ILE 29 2HG2 ILE 29 5.600 1.773 -0.037 242 HG23 ILE 29 3HG2 ILE 29 7.040 2.290 0.842 243 HD11 ILE 29 3HD1 ILE 29 5.154 -0.701 3.080 244 HD12 ILE 29 1HD1 ILE 29 3.787 -1.321 2.154 245 HD13 ILE 29 2HD1 ILE 29 4.150 0.406 2.143 246 H ASN 30 H ASN 30 8.109 1.777 -1.868 247 HA ASN 30 HA ASN 30 10.481 2.659 -0.446 248 HB2 ASN 30 2HB ASN 30 12.012 2.367 -2.331 249 HB3 ASN 30 3HB ASN 30 11.375 0.818 -1.799 250 HD21 ASN 30 1HD2 ASN 30 8.873 0.894 -3.092 251 HD22 ASN 30 2HD2 ASN 30 9.143 0.793 -4.792 252 H ARG 31 H ARG 31 11.526 4.541 -1.539 253 HA ARG 31 HA ARG 31 9.484 6.192 -2.847 254 HB2 ARG 31 2HB ARG 31 12.123 6.994 -1.598 255 HB3 ARG 31 3HB ARG 31 10.966 8.102 -2.322 256 HG2 ARG 31 2HG ARG 31 9.296 7.307 -0.632 257 HG3 ARG 31 3HG ARG 31 10.615 6.444 0.160 258 HD2 ARG 31 2HD ARG 31 10.314 8.553 1.264 259 HD3 ARG 31 3HD ARG 31 11.827 8.609 0.359 260 HE ARG 31 HE ARG 31 10.017 9.660 -1.366 261 HH11 ARG 31 1HH1 ARG 31 10.896 10.386 1.936 262 HH12 ARG 31 2HH1 ARG 31 10.507 12.074 1.804 263 HH21 ARG 31 1HH2 ARG 31 9.509 11.878 -1.560 264 HH22 ARG 31 2HH2 ARG 31 9.754 12.934 -0.194 265 H VAL 32 H VAL 32 9.634 6.688 -4.943 266 HA VAL 32 HA VAL 32 12.086 5.835 -6.338 267 HB VAL 32 HB VAL 32 9.290 5.930 -7.478 268 HG11 VAL 32 1HG1 VAL 32 11.025 6.202 -9.160 269 HG12 VAL 32 2HG1 VAL 32 10.254 4.624 -9.317 270 HG13 VAL 32 3HG1 VAL 32 11.847 4.757 -8.568 271 HG21 VAL 32 3HG2 VAL 32 9.300 3.498 -7.328 272 HG22 VAL 32 1HG2 VAL 32 9.468 4.226 -5.731 273 HG23 VAL 32 2HG2 VAL 32 10.878 3.543 -6.539 274 H SER 33 H SER 33 13.152 7.270 -7.505 275 HA SER 33 HA SER 33 12.103 9.976 -7.760 276 HB2 SER 33 2HB SER 33 14.424 9.651 -6.974 277 HB3 SER 33 3HB SER 33 14.818 8.822 -8.475 278 HG SER 33 HG SER 33 15.390 11.116 -8.345 279 H PHE 34 H PHE 34 11.250 10.730 -9.589 280 HA PHE 34 HA PHE 34 11.529 9.101 -12.018 281 HB2 PHE 34 2HB PHE 34 9.328 11.024 -11.230 282 HB3 PHE 34 3HB PHE 34 9.413 10.163 -12.763 283 HD1 PHE 34 HD2 PHE 34 9.390 7.622 -12.700 284 HD2 PHE 34 HD1 PHE 34 8.334 10.050 -9.368 285 HE1 PHE 34 HE2 PHE 34 8.196 5.718 -11.699 286 HE2 PHE 34 HE1 PHE 34 7.134 8.153 -8.361 287 HZ PHE 34 HZ PHE 34 7.062 5.984 -9.527 288 H ASN 35 H ASN 35 13.044 9.877 -13.247 289 HA ASN 35 HA ASN 35 14.609 11.324 -14.060 290 HB2 ASN 35 2HB ASN 35 13.736 12.612 -15.962 291 HB3 ASN 35 3HB ASN 35 13.133 10.967 -15.909 292 HD21 ASN 35 1HD2 ASN 35 12.172 13.424 -17.219 293 HD22 ASN 35 2HD2 ASN 35 10.526 13.615 -16.702 294 H GLY 36 H GLY 36 12.116 13.873 -13.955 295 HA2 GLY 36 2HA GLY 36 14.051 15.435 -12.357 296 HA3 GLY 36 3HA GLY 36 13.133 16.136 -13.684 297 H ALA 37 H ALA 37 12.302 14.077 -10.903 298 HA ALA 37 HA ALA 37 10.538 16.150 -9.865 299 HB1 ALA 37 3HB ALA 37 8.600 14.652 -9.786 300 HB2 ALA 37 1HB ALA 37 9.518 13.422 -10.655 301 HB3 ALA 37 2HB ALA 37 9.122 14.948 -11.444 302 HA PRO 38 HA PRO 38 11.888 14.545 -5.958 303 HB2 PRO 38 2HB PRO 38 9.146 15.099 -4.969 304 HB3 PRO 38 3HB PRO 38 10.698 15.720 -4.393 305 HG2 PRO 38 2HG PRO 38 9.028 17.281 -5.769 306 HG3 PRO 38 3HG PRO 38 10.783 17.381 -6.012 307 HD2 PRO 38 2HD PRO 38 8.709 16.035 -7.705 308 HD3 PRO 38 3HD PRO 38 10.114 17.003 -8.201 309 H ALA 39 H ALA 39 11.855 12.669 -4.855 310 HA ALA 39 HA ALA 39 10.652 10.424 -5.987 311 HB1 ALA 39 3HB ALA 39 12.717 10.420 -4.629 312 HB2 ALA 39 1HB ALA 39 11.557 9.187 -4.141 313 HB3 ALA 39 2HB ALA 39 11.733 10.659 -3.186 314 H LYS 40 H LYS 40 8.677 9.673 -5.900 315 HA LYS 40 HA LYS 40 6.873 10.473 -3.752 316 HB2 LYS 40 2HB LYS 40 6.420 8.912 -6.300 317 HB3 LYS 40 3HB LYS 40 5.167 9.210 -5.106 318 HG2 LYS 40 2HG LYS 40 6.652 11.323 -6.653 319 HG3 LYS 40 3HG LYS 40 5.023 10.744 -6.996 320 HD2 LYS 40 2HD LYS 40 4.449 11.446 -4.607 321 HD3 LYS 40 3HD LYS 40 5.986 12.320 -4.622 322 HE2 LYS 40 2HE LYS 40 5.228 13.525 -6.643 323 HE3 LYS 40 3HE LYS 40 3.674 12.706 -6.518 324 HZ1 LYS 40 3HZ LYS 40 4.796 14.831 -4.837 325 HZ2 LYS 40 1HZ LYS 40 3.724 13.720 -4.134 326 HZ3 LYS 40 2HZ LYS 40 3.226 14.650 -5.457 327 H PHE 41 H PHE 41 5.305 8.503 -3.176 328 HA PHE 41 HA PHE 41 7.076 6.396 -2.144 329 HB2 PHE 41 2HB PHE 41 4.269 7.137 -1.278 330 HB3 PHE 41 3HB PHE 41 5.334 5.983 -0.485 331 HD1 PHE 41 HD2 PHE 41 4.657 9.531 -1.084 332 HD2 PHE 41 HD1 PHE 41 7.148 6.719 0.903 333 HE1 PHE 41 HE2 PHE 41 5.545 11.327 0.339 334 HE2 PHE 41 HE1 PHE 41 8.044 8.510 2.333 335 HZ PHE 41 HZ PHE 41 7.239 10.820 2.052 336 H ASP 42 H ASP 42 6.938 4.398 -3.042 337 HA ASP 42 HA ASP 42 4.474 3.755 -4.527 338 HB2 ASP 42 2HB ASP 42 6.258 4.485 -6.081 339 HB3 ASP 42 3HB ASP 42 7.301 3.208 -5.466 340 H ILE 43 H ILE 43 3.591 1.925 -3.901 341 HA ILE 43 HA ILE 43 5.204 -0.081 -2.485 342 HB ILE 43 HB ILE 43 2.203 0.008 -2.900 343 HG12 ILE 43 2HG1 ILE 43 3.821 0.758 -0.451 344 HG13 ILE 43 3HG1 ILE 43 3.029 1.902 -1.530 345 HG21 ILE 43 1HG2 ILE 43 3.017 -2.245 -2.524 346 HG22 ILE 43 2HG2 ILE 43 2.147 -1.675 -1.100 347 HG23 ILE 43 3HG2 ILE 43 3.910 -1.711 -1.098 348 HD11 ILE 43 3HD1 ILE 43 1.656 -0.180 0.155 349 HD12 ILE 43 1HD1 ILE 43 0.859 0.966 -0.921 350 HD13 ILE 43 2HD1 ILE 43 1.737 1.550 0.494 351 H ARG 44 H ARG 44 6.037 -1.696 -3.707 352 HA ARG 44 HA ARG 44 4.701 -2.332 -6.243 353 HB2 ARG 44 2HB ARG 44 6.298 -0.468 -6.572 354 HB3 ARG 44 3HB ARG 44 7.590 -1.498 -5.978 355 HG2 ARG 44 2HG ARG 44 7.254 -3.009 -7.868 356 HG3 ARG 44 3HG ARG 44 5.961 -1.963 -8.467 357 HD2 ARG 44 2HD ARG 44 8.052 -1.502 -9.629 358 HD3 ARG 44 3HD ARG 44 7.551 -0.112 -8.664 359 HE ARG 44 HE ARG 44 9.754 -1.956 -8.019 360 HH11 ARG 44 1HH1 ARG 44 7.998 1.013 -7.382 361 HH12 ARG 44 2HH1 ARG 44 9.310 1.739 -6.499 362 HH21 ARG 44 1HH2 ARG 44 11.466 -1.000 -6.803 363 HH22 ARG 44 2HH2 ARG 44 11.263 0.594 -6.145 364 H ALA 45 H ALA 45 5.453 -4.258 -7.265 365 HA ALA 45 HA ALA 45 6.727 -6.143 -5.412 366 HB1 ALA 45 3HB ALA 45 5.069 -6.677 -7.876 367 HB2 ALA 45 1HB ALA 45 4.512 -6.787 -6.206 368 HB3 ALA 45 2HB ALA 45 5.744 -7.902 -6.801 369 H TRP 46 H TRP 46 8.489 -7.305 -5.993 370 HA TRP 46 HA TRP 46 9.916 -6.496 -8.432 371 HB2 TRP 46 2HB TRP 46 10.876 -7.586 -5.785 372 HB3 TRP 46 3HB TRP 46 11.907 -7.532 -7.205 373 HD1 TRP 46 HD1 TRP 46 10.772 -5.469 -4.315 374 HE1 TRP 46 HE1 TRP 46 11.797 -3.108 -4.468 375 HE3 TRP 46 HE3 TRP 46 12.500 -5.675 -9.119 376 HZ2 TRP 46 HZ2 TRP 46 13.147 -1.545 -6.407 377 HZ3 TRP 46 HZ3 TRP 46 13.645 -3.709 -10.053 378 HH2 TRP 46 HH2 TRP 46 13.961 -1.684 -8.721 379 H SER 47 H SER 47 10.123 -7.985 -10.002 380 HA SER 47 HA SER 47 9.479 -10.743 -9.523 381 HB2 SER 47 2HB SER 47 10.480 -10.793 -12.004 382 HB3 SER 47 3HB SER 47 8.848 -10.216 -11.661 383 HG SER 47 HG SER 47 11.183 -8.760 -12.253 384 HA PRO 48 HA PRO 48 13.186 -12.149 -7.889 385 HB2 PRO 48 2HB PRO 48 13.473 -14.581 -9.206 386 HB3 PRO 48 3HB PRO 48 12.492 -14.291 -7.767 387 HG2 PRO 48 2HG PRO 48 11.665 -14.427 -10.629 388 HG3 PRO 48 3HG PRO 48 10.818 -15.009 -9.183 389 HD2 PRO 48 2HD PRO 48 10.081 -12.752 -10.424 390 HD3 PRO 48 3HD PRO 48 10.013 -12.901 -8.655 391 H ASP 49 H ASP 49 13.101 -12.213 -11.430 392 HA ASP 49 HA ASP 49 16.035 -12.342 -11.421 393 HB2 ASP 49 2HB ASP 49 14.161 -12.678 -13.768 394 HB3 ASP 49 3HB ASP 49 15.903 -12.937 -13.777 395 H HIS 50 H HIS 50 14.128 -10.941 -13.999 396 HA HIS 50 HA HIS 50 15.329 -8.322 -13.401 397 HB2 HIS 50 2HB HIS 50 14.524 -9.531 -16.057 398 HB3 HIS 50 3HB HIS 50 14.959 -7.839 -15.848 399 HD1 HIS 50 HD1 HIS 50 17.428 -7.271 -15.565 400 HD2 HIS 50 HD2 HIS 50 16.682 -11.347 -15.873 401 HE1 HIS 50 HE1 HIS 50 19.676 -8.347 -15.901 402 HE2 HIS 50 HE2 HIS 50 19.215 -10.823 -15.809 403 H THR 51 H THR 51 13.838 -6.564 -14.620 404 HA THR 51 HA THR 51 11.403 -6.665 -13.129 405 HB THR 51 HB THR 51 12.100 -4.608 -15.226 406 HG1 THR 51 HG1 THR 51 13.763 -4.188 -13.978 407 HG21 THR 51 3HG2 THR 51 10.471 -4.470 -12.683 408 HG22 THR 51 1HG2 THR 51 9.820 -4.514 -14.322 409 HG23 THR 51 2HG2 THR 51 10.774 -3.129 -13.787 410 H LYS 52 H LYS 52 10.205 -8.381 -13.964 411 HA LYS 52 HA LYS 52 9.447 -8.454 -16.751 412 HB2 LYS 52 2HB LYS 52 8.271 -9.978 -14.411 413 HB3 LYS 52 3HB LYS 52 8.042 -10.348 -16.116 414 HG2 LYS 52 2HG LYS 52 10.417 -10.863 -16.328 415 HG3 LYS 52 3HG LYS 52 10.656 -10.478 -14.624 416 HD2 LYS 52 2HD LYS 52 10.490 -12.792 -14.620 417 HD3 LYS 52 3HD LYS 52 8.859 -12.280 -14.195 418 HE2 LYS 52 2HE LYS 52 9.724 -12.974 -16.997 419 HE3 LYS 52 3HE LYS 52 9.005 -14.133 -15.886 420 HZ1 LYS 52 3HZ LYS 52 7.712 -11.644 -16.876 421 HZ2 LYS 52 1HZ LYS 52 7.017 -12.743 -15.788 422 HZ3 LYS 52 2HZ LYS 52 7.356 -13.218 -17.378 423 H MET 53 H MET 53 7.542 -8.246 -13.770 424 HA MET 53 HA MET 53 5.997 -6.060 -14.945 425 HB2 MET 53 2HB MET 53 4.844 -8.588 -13.762 426 HB3 MET 53 3HB MET 53 3.918 -7.101 -13.897 427 HG2 MET 53 2HG MET 53 4.224 -7.141 -16.323 428 HG3 MET 53 3HG MET 53 5.136 -8.643 -16.178 429 HE1 MET 53 3HE MET 53 2.643 -8.274 -18.092 430 HE2 MET 53 1HE MET 53 1.740 -9.762 -17.812 431 HE3 MET 53 2HE MET 53 3.497 -9.809 -17.951 432 H GLY 54 H GLY 54 7.226 -4.736 -13.529 433 HA2 GLY 54 2HA GLY 54 7.122 -5.178 -10.676 434 HA3 GLY 54 3HA GLY 54 7.817 -3.785 -11.496 435 H LYS 55 H LYS 55 4.659 -5.298 -10.952 436 HA LYS 55 HA LYS 55 3.365 -2.730 -11.247 437 HB2 LYS 55 2HB LYS 55 1.261 -4.068 -10.922 438 HB3 LYS 55 3HB LYS 55 2.229 -4.512 -12.321 439 HG2 LYS 55 2HG LYS 55 3.201 -6.347 -10.824 440 HG3 LYS 55 3HG LYS 55 1.847 -5.995 -9.745 441 HD2 LYS 55 2HD LYS 55 0.296 -6.393 -11.630 442 HD3 LYS 55 3HD LYS 55 1.671 -6.831 -12.642 443 HE2 LYS 55 2HE LYS 55 0.783 -8.876 -11.896 444 HE3 LYS 55 3HE LYS 55 2.200 -8.593 -10.885 445 HZ1 LYS 55 3HZ LYS 55 0.676 -7.688 -9.177 446 HZ2 LYS 55 1HZ LYS 55 0.399 -9.328 -9.516 447 HZ3 LYS 55 2HZ LYS 55 -0.640 -8.140 -10.141 448 H GLY 56 H GLY 56 2.028 -1.783 -9.740 449 HA2 GLY 56 2HA GLY 56 1.622 -2.647 -7.107 450 HA3 GLY 56 3HA GLY 56 3.046 -1.610 -7.143 451 H ILE 57 H ILE 57 2.165 0.124 -6.049 452 HA ILE 57 HA ILE 57 0.432 1.790 -7.649 453 HB ILE 57 HB ILE 57 -1.199 0.427 -6.432 454 HG12 ILE 57 2HG1 ILE 57 -1.151 3.240 -5.331 455 HG13 ILE 57 3HG1 ILE 57 -1.633 2.838 -6.977 456 HG21 ILE 57 1HG2 ILE 57 0.097 -0.135 -4.471 457 HG22 ILE 57 2HG2 ILE 57 -1.427 0.616 -3.999 458 HG23 ILE 57 3HG2 ILE 57 0.070 1.547 -3.941 459 HD11 ILE 57 3HD1 ILE 57 -3.561 3.139 -5.534 460 HD12 ILE 57 1HD1 ILE 57 -2.974 1.865 -4.466 461 HD13 ILE 57 2HD1 ILE 57 -3.458 1.480 -6.118 462 H THR 58 H THR 58 0.956 3.849 -7.452 463 HA THR 58 HA THR 58 2.972 4.582 -5.476 464 HB THR 58 HB THR 58 1.954 6.237 -7.793 465 HG1 THR 58 HG1 THR 58 3.809 4.104 -7.671 466 HG21 THR 58 3HG2 THR 58 3.232 7.470 -6.102 467 HG22 THR 58 1HG2 THR 58 4.138 7.340 -7.609 468 HG23 THR 58 2HG2 THR 58 4.549 6.304 -6.243 469 H LEU 59 H LEU 59 2.739 6.261 -4.024 470 HA LEU 59 HA LEU 59 0.056 7.453 -3.784 471 HB2 LEU 59 2HB LEU 59 1.798 6.543 -1.490 472 HB3 LEU 59 3HB LEU 59 0.227 7.305 -1.354 473 HG LEU 59 HG LEU 59 -0.559 5.206 -2.745 474 HD11 LEU 59 1HD1 LEU 59 0.693 3.195 -2.111 475 HD12 LEU 59 2HD1 LEU 59 1.940 4.209 -1.388 476 HD13 LEU 59 3HD1 LEU 59 1.647 4.277 -3.126 477 HD21 LEU 59 3HD2 LEU 59 -1.337 5.812 -0.521 478 HD22 LEU 59 1HD2 LEU 59 0.116 5.110 0.189 479 HD23 LEU 59 2HD2 LEU 59 -1.049 4.075 -0.638 480 H SER 60 H SER 60 -0.030 9.560 -3.049 481 HA SER 60 HA SER 60 2.396 11.120 -3.188 482 HB2 SER 60 2HB SER 60 -0.320 12.071 -2.263 483 HB3 SER 60 3HB SER 60 0.965 13.017 -3.017 484 HG SER 60 HG SER 60 -0.739 11.083 -4.198 485 H ASN 61 H ASN 61 2.968 12.624 -1.348 486 HA ASN 61 HA ASN 61 3.505 11.201 0.989 487 HB2 ASN 61 2HB ASN 61 4.786 13.168 0.409 488 HB3 ASN 61 3HB ASN 61 3.364 14.192 0.574 489 HD21 ASN 61 1HD2 ASN 61 2.765 14.906 2.562 490 HD22 ASN 61 2HD2 ASN 61 3.666 14.598 4.004 491 H GLU 62 H GLU 62 0.926 13.547 0.379 492 HA GLU 62 HA GLU 62 -0.266 13.559 2.889 493 HB2 GLU 62 2HB GLU 62 -1.630 13.794 0.200 494 HB3 GLU 62 3HB GLU 62 -2.319 14.284 1.738 495 HG2 GLU 62 2HG GLU 62 -1.583 16.251 0.682 496 HG3 GLU 62 3HG GLU 62 -0.406 15.910 1.949 497 H GLU 63 H GLU 63 -0.946 11.479 0.100 498 HA GLU 63 HA GLU 63 -3.035 9.994 1.290 499 HB2 GLU 63 2HB GLU 63 -1.171 9.038 -0.888 500 HB3 GLU 63 3HB GLU 63 -2.820 8.506 -0.584 501 HG2 GLU 63 2HG GLU 63 -3.659 10.698 -1.224 502 HG3 GLU 63 3HG GLU 63 -2.009 11.257 -1.500 503 H PHE 64 H PHE 64 0.432 9.475 1.012 504 HA PHE 64 HA PHE 64 0.519 6.858 2.041 505 HB2 PHE 64 2HB PHE 64 2.306 8.184 0.753 506 HB3 PHE 64 3HB PHE 64 2.727 8.888 2.308 507 HD1 PHE 64 HD2 PHE 64 2.521 5.721 0.426 508 HD2 PHE 64 HD1 PHE 64 4.052 7.720 3.856 509 HE1 PHE 64 HE2 PHE 64 3.993 3.802 0.882 510 HE2 PHE 64 HE1 PHE 64 5.527 5.808 4.319 511 HZ PHE 64 HZ PHE 64 5.496 3.844 2.829 512 H GLN 65 H GLN 65 0.985 10.026 3.595 513 HA GLN 65 HA GLN 65 1.458 9.052 6.191 514 HB2 GLN 65 2HB GLN 65 1.930 11.372 5.504 515 HB3 GLN 65 3HB GLN 65 0.207 11.674 5.353 516 HG2 GLN 65 2HG GLN 65 1.050 12.592 7.419 517 HG3 GLN 65 3HG GLN 65 -0.077 11.277 7.748 518 HE21 GLN 65 1HE2 GLN 65 0.700 9.351 8.615 519 HE22 GLN 65 2HE2 GLN 65 2.278 9.223 9.319 520 H THR 66 H THR 66 -1.489 9.732 4.420 521 HA THR 66 HA THR 66 -3.345 9.647 6.494 522 HB THR 66 HB THR 66 -3.637 8.794 3.612 523 HG1 THR 66 HG1 THR 66 -3.182 10.994 3.840 524 HG21 THR 66 3HG2 THR 66 -5.787 9.328 5.666 525 HG22 THR 66 1HG2 THR 66 -5.391 7.752 4.973 526 HG23 THR 66 2HG2 THR 66 -6.054 9.028 3.948 527 H MET 67 H MET 67 -2.218 6.965 4.409 528 HA MET 67 HA MET 67 -3.802 5.005 5.651 529 HB2 MET 67 2HB MET 67 -2.608 3.385 4.431 530 HB3 MET 67 3HB MET 67 -2.588 4.815 3.414 531 HG2 MET 67 2HG MET 67 -0.312 5.287 4.044 532 HG3 MET 67 3HG MET 67 -0.324 3.957 5.199 533 HE1 MET 67 3HE MET 67 2.099 2.428 2.648 534 HE2 MET 67 1HE MET 67 1.718 2.665 4.355 535 HE3 MET 67 2HE MET 67 2.040 4.057 3.322 536 H VAL 68 H VAL 68 -0.536 6.155 6.338 537 HA VAL 68 HA VAL 68 0.163 4.185 8.212 538 HB VAL 68 HB VAL 68 1.085 7.059 8.077 539 HG11 VAL 68 1HG1 VAL 68 1.526 6.070 10.266 540 HG12 VAL 68 2HG1 VAL 68 3.022 6.303 9.361 541 HG13 VAL 68 3HG1 VAL 68 2.311 4.694 9.490 542 HG21 VAL 68 3HG2 VAL 68 3.029 6.133 6.908 543 HG22 VAL 68 1HG2 VAL 68 1.533 5.832 6.026 544 HG23 VAL 68 2HG2 VAL 68 2.288 4.534 6.953 545 H ASP 69 H ASP 69 -1.303 7.385 8.660 546 HA ASP 69 HA ASP 69 -1.493 7.227 11.474 547 HB2 ASP 69 2HB ASP 69 -1.608 9.363 10.354 548 HB3 ASP 69 3HB ASP 69 -3.041 8.863 9.459 549 H ALA 70 H ALA 70 -3.835 6.535 8.898 550 HA ALA 70 HA ALA 70 -6.012 5.962 10.585 551 HB1 ALA 70 3HB ALA 70 -5.486 4.937 7.803 552 HB2 ALA 70 1HB ALA 70 -6.249 6.475 8.208 553 HB3 ALA 70 2HB ALA 70 -7.043 4.959 8.633 554 H PHE 71 H PHE 71 -3.535 3.857 9.163 555 HA PHE 71 HA PHE 71 -4.668 1.480 10.293 556 HB2 PHE 71 2HB PHE 71 -1.965 2.013 9.061 557 HB3 PHE 71 3HB PHE 71 -2.491 0.428 9.616 558 HD1 PHE 71 HD1 PHE 71 -5.377 0.641 8.739 559 HD2 PHE 71 HD2 PHE 71 -1.724 1.574 6.766 560 HE1 PHE 71 HE1 PHE 71 -6.452 0.236 6.567 561 HE2 PHE 71 HE2 PHE 71 -2.795 1.172 4.592 562 HZ PHE 71 HZ PHE 71 -5.159 0.502 4.490 563 H LYS 72 H LYS 72 -2.340 3.854 11.338 564 HA LYS 72 HA LYS 72 -1.132 2.502 13.447 565 HB2 LYS 72 2HB LYS 72 -0.418 4.732 12.736 566 HB3 LYS 72 3HB LYS 72 -1.942 5.413 13.283 567 HG2 LYS 72 2HG LYS 72 -1.400 5.017 15.564 568 HG3 LYS 72 3HG LYS 72 0.002 4.043 15.120 569 HD2 LYS 72 2HD LYS 72 1.064 6.028 14.147 570 HD3 LYS 72 3HD LYS 72 -0.342 6.997 14.599 571 HE2 LYS 72 2HE LYS 72 0.082 6.689 16.912 572 HE3 LYS 72 3HE LYS 72 1.285 5.444 16.595 573 HZ1 LYS 72 3HZ LYS 72 2.407 7.447 17.153 574 HZ2 LYS 72 1HZ LYS 72 1.526 8.354 16.018 575 HZ3 LYS 72 2HZ LYS 72 2.638 7.187 15.498 576 H GLY 73 H GLY 73 -4.223 4.173 13.258 577 HA2 GLY 73 2HA GLY 73 -4.900 3.168 15.938 578 HA3 GLY 73 3HA GLY 73 -5.789 4.396 15.048 579 H ASN 74 H ASN 74 -4.690 1.252 13.846 580 HA ASN 74 HA ASN 74 -7.416 0.219 13.933 581 HB2 ASN 74 2HB ASN 74 -7.339 1.420 11.799 582 HB3 ASN 74 3HB ASN 74 -5.895 0.531 11.335 583 HD21 ASN 74 1HD2 ASN 74 -8.722 -0.819 12.967 584 HD22 ASN 74 2HD2 ASN 74 -9.177 -1.868 11.670 585 H LEU 75 H LEU 75 -4.445 -0.664 12.134 586 HA LEU 75 HA LEU 75 -5.002 -3.426 12.877 587 HB2 LEU 75 2HB LEU 75 -4.595 -2.718 10.493 588 HB3 LEU 75 3HB LEU 75 -2.924 -2.424 10.938 589 HG LEU 75 HG LEU 75 -2.733 -4.827 11.599 590 HD11 LEU 75 1HD1 LEU 75 -5.111 -5.233 12.012 591 HD12 LEU 75 2HD1 LEU 75 -4.433 -6.390 10.866 592 HD13 LEU 75 3HD1 LEU 75 -5.434 -5.058 10.287 593 HD21 LEU 75 3HD2 LEU 75 -1.961 -4.052 9.414 594 HD22 LEU 75 1HD2 LEU 75 -3.572 -4.319 8.748 595 HD23 LEU 75 2HD2 LEU 75 -2.618 -5.687 9.319 596 H GLU 76 H GLU 76 -3.598 -1.318 14.652 597 HA GLU 76 HA GLU 76 -1.074 -2.644 15.128 598 HB2 GLU 76 2HB GLU 76 -0.862 -1.179 17.067 599 HB3 GLU 76 3HB GLU 76 -1.293 -0.254 15.638 600 HG2 GLU 76 2HG GLU 76 -3.369 0.263 16.424 601 HG3 GLU 76 3HG GLU 76 -3.470 -1.180 17.434 602 H HIS 77 H HIS 77 -4.318 -3.155 15.863 603 HA HIS 77 HA HIS 77 -3.672 -4.778 18.216 604 HB2 HIS 77 2HB HIS 77 -6.092 -3.312 17.346 605 HB3 HIS 77 3HB HIS 77 -6.364 -4.853 18.150 606 HD1 HIS 77 HD1 HIS 77 -6.753 -4.563 20.551 607 HD2 HIS 77 HD2 HIS 77 -4.094 -1.726 19.068 608 HE1 HIS 77 HE1 HIS 77 -6.113 -3.132 22.520 609 HE2 HIS 77 HE2 HIS 77 -4.668 -1.307 21.554 610 H HIS 78 H HIS 78 -2.742 -6.440 16.838 611 HA HIS 78 HA HIS 78 -4.771 -8.118 15.578 612 HB2 HIS 78 2HB HIS 78 -2.877 -9.670 15.060 613 HB3 HIS 78 3HB HIS 78 -2.682 -8.071 14.362 614 HD1 HIS 78 HD1 HIS 78 -0.532 -6.904 14.830 615 HD2 HIS 78 HD2 HIS 78 -1.161 -10.135 17.368 616 HE1 HIS 78 HE1 HIS 78 1.613 -7.176 16.124 617 HE2 HIS 78 HE2 HIS 78 1.151 -9.048 17.761 618 H HIS 79 H HIS 79 -5.728 -9.770 16.605 619 HA HIS 79 HA HIS 79 -4.796 -10.246 19.357 620 HB2 HIS 79 2HB HIS 79 -7.206 -10.751 19.912 621 HB3 HIS 79 3HB HIS 79 -6.850 -9.067 19.546 622 HD1 HIS 79 HD1 HIS 79 -8.738 -12.042 18.266 623 HD2 HIS 79 HD2 HIS 79 -8.076 -8.061 17.243 624 HE1 HIS 79 HE1 HIS 79 -10.436 -11.502 16.489 625 HE2 HIS 79 HE2 HIS 79 -9.966 -9.113 15.824 626 H HIS 80 H HIS 80 -4.224 -12.195 19.867 627 HA HIS 80 HA HIS 80 -5.124 -14.410 18.156 628 HB2 HIS 80 2HB HIS 80 -3.090 -15.583 18.628 629 HB3 HIS 80 3HB HIS 80 -2.656 -13.961 18.121 630 HD1 HIS 80 HD1 HIS 80 -1.528 -12.419 19.900 631 HD2 HIS 80 HD2 HIS 80 -2.418 -16.255 21.258 632 HE1 HIS 80 HE1 HIS 80 -0.227 -12.709 22.033 633 HE2 HIS 80 HE2 HIS 80 -0.708 -15.061 22.796 634 H HIS 81 H HIS 81 -6.079 -16.136 19.069 635 HA HIS 81 HA HIS 81 -6.486 -16.039 21.984 636 HB2 HIS 81 2HB HIS 81 -8.532 -15.540 20.669 637 HB3 HIS 81 3HB HIS 81 -8.369 -17.084 19.845 638 HD1 HIS 81 HD1 HIS 81 -9.096 -19.190 21.112 639 HD2 HIS 81 HD2 HIS 81 -9.470 -15.683 23.313 640 HE1 HIS 81 HE1 HIS 81 -10.456 -19.802 23.143 641 HE2 HIS 81 HE2 HIS 81 -10.505 -17.705 24.545 642 H HIS 82 H HIS 82 -6.434 -18.018 23.106 643 HA HIS 82 HA HIS 82 -4.781 -20.038 21.895 644 HB2 HIS 82 2HB HIS 82 -4.601 -19.352 24.301 645 HB3 HIS 82 3HB HIS 82 -6.170 -20.098 24.584 646 HD1 HIS 82 HD1 HIS 82 -2.579 -20.848 24.323 647 HD2 HIS 82 HD2 HIS 82 -6.154 -22.984 24.306 648 HE1 HIS 82 HE1 HIS 82 -1.943 -23.249 24.718 649 HE2 HIS 82 HE2 HIS 82 -4.121 -24.507 24.819 650 H1 MET 1 1H MET 1 -16.995 -27.266 -8.568 651 H2 MET 1 2H MET 1 -15.905 -26.913 -7.321 652 H3 MET 1 3H MET 1 -17.534 -27.219 -6.962 653 HA MET 1 HA MET 1 -16.148 -29.107 -6.413 654 HB2 MET 1 2HB MET 1 -17.988 -29.530 -8.776 655 HB3 MET 1 3HB MET 1 -17.341 -30.829 -7.786 656 HG2 MET 1 2HG MET 1 -18.450 -29.785 -5.817 657 HG3 MET 1 3HG MET 1 -19.207 -28.641 -6.923 658 HE1 MET 1 3HE MET 1 -20.879 -29.390 -8.894 659 HE2 MET 1 1HE MET 1 -21.358 -31.065 -9.169 660 HE3 MET 1 2HE MET 1 -19.694 -30.563 -9.472 661 H LYS 2 H LYS 2 -16.210 -28.649 -9.971 662 HA LYS 2 HA LYS 2 -13.558 -29.921 -10.008 663 HB2 LYS 2 2HB LYS 2 -14.014 -30.805 -12.215 664 HB3 LYS 2 3HB LYS 2 -15.262 -31.327 -11.098 665 HG2 LYS 2 2HG LYS 2 -15.607 -28.996 -12.966 666 HG3 LYS 2 3HG LYS 2 -16.027 -30.652 -13.397 667 HD2 LYS 2 2HD LYS 2 -17.542 -30.713 -11.423 668 HD3 LYS 2 3HD LYS 2 -17.194 -29.005 -11.153 669 HE2 LYS 2 2HE LYS 2 -19.254 -29.132 -12.340 670 HE3 LYS 2 3HE LYS 2 -18.032 -28.561 -13.475 671 HZ1 LYS 2 3HZ LYS 2 -19.000 -31.362 -13.256 672 HZ2 LYS 2 1HZ LYS 2 -17.867 -30.789 -14.382 673 HZ3 LYS 2 2HZ LYS 2 -19.475 -30.252 -14.447 674 H LYS 3 H LYS 3 -15.480 -27.246 -11.057 675 HA LYS 3 HA LYS 3 -13.204 -25.656 -11.638 676 HB2 LYS 3 2HB LYS 3 -13.324 -27.070 -13.718 677 HB3 LYS 3 3HB LYS 3 -14.912 -26.384 -14.032 678 HG2 LYS 3 2HG LYS 3 -13.208 -25.285 -15.363 679 HG3 LYS 3 3HG LYS 3 -13.922 -24.158 -14.210 680 HD2 LYS 3 2HD LYS 3 -12.011 -24.393 -12.740 681 HD3 LYS 3 3HD LYS 3 -11.312 -25.619 -13.799 682 HE2 LYS 3 2HE LYS 3 -11.852 -22.756 -14.587 683 HE3 LYS 3 3HE LYS 3 -10.284 -23.381 -14.077 684 HZ1 LYS 3 3HZ LYS 3 -10.479 -23.279 -16.493 685 HZ2 LYS 3 1HZ LYS 3 -11.817 -24.316 -16.449 686 HZ3 LYS 3 2HZ LYS 3 -10.290 -24.878 -15.967 687 H MET 4 H MET 4 -13.802 -23.436 -12.071 688 HA MET 4 HA MET 4 -16.658 -22.832 -11.760 689 HB2 MET 4 2HB MET 4 -16.178 -21.112 -10.105 690 HB3 MET 4 3HB MET 4 -15.592 -22.670 -9.538 691 HG2 MET 4 2HG MET 4 -13.321 -22.058 -10.195 692 HG3 MET 4 3HG MET 4 -13.907 -20.494 -10.762 693 HE1 MET 4 3HE MET 4 -12.095 -19.276 -9.276 694 HE2 MET 4 1HE MET 4 -11.502 -20.820 -8.664 695 HE3 MET 4 2HE MET 4 -11.909 -19.527 -7.540 696 H ALA 5 H ALA 5 -17.104 -20.478 -12.221 697 HA ALA 5 HA ALA 5 -15.631 -19.718 -14.617 698 HB1 ALA 5 3HB ALA 5 -18.125 -18.518 -13.411 699 HB2 ALA 5 1HB ALA 5 -18.081 -19.742 -14.681 700 HB3 ALA 5 2HB ALA 5 -17.440 -18.128 -14.989 701 H GLU 6 H GLU 6 -13.947 -18.429 -14.460 702 HA GLU 6 HA GLU 6 -12.458 -16.891 -13.757 703 HB2 GLU 6 2HB GLU 6 -15.021 -15.495 -13.015 704 HB3 GLU 6 3HB GLU 6 -13.452 -14.758 -12.733 705 HG2 GLU 6 2HG GLU 6 -14.346 -13.919 -14.780 706 HG3 GLU 6 3HG GLU 6 -12.967 -14.952 -15.145 707 H PHE 7 H PHE 7 -14.348 -15.737 -11.142 708 HA PHE 7 HA PHE 7 -13.557 -17.503 -9.115 709 HB2 PHE 7 2HB PHE 7 -11.864 -16.129 -7.978 710 HB3 PHE 7 3HB PHE 7 -11.308 -16.638 -9.567 711 HD1 PHE 7 HD2 PHE 7 -11.333 -14.978 -11.453 712 HD2 PHE 7 HD1 PHE 7 -11.998 -13.853 -7.403 713 HE1 PHE 7 HE2 PHE 7 -10.814 -12.642 -12.022 714 HE2 PHE 7 HE1 PHE 7 -11.477 -11.513 -7.962 715 HZ PHE 7 HZ PHE 7 -10.884 -10.906 -10.278 716 H THR 8 H THR 8 -13.748 -16.229 -6.893 717 HA THR 8 HA THR 8 -16.078 -14.439 -7.170 718 HB THR 8 HB THR 8 -15.422 -16.241 -4.825 719 HG1 THR 8 HG1 THR 8 -16.184 -17.102 -7.058 720 HG21 THR 8 3HG2 THR 8 -17.925 -14.683 -5.503 721 HG22 THR 8 1HG2 THR 8 -16.769 -14.273 -4.236 722 HG23 THR 8 2HG2 THR 8 -17.719 -15.754 -4.116 723 H PHE 9 H PHE 9 -16.028 -12.484 -6.114 724 HA PHE 9 HA PHE 9 -14.203 -12.037 -3.934 725 HB2 PHE 9 2HB PHE 9 -12.922 -10.256 -4.912 726 HB3 PHE 9 3HB PHE 9 -12.772 -11.659 -5.961 727 HD1 PHE 9 HD2 PHE 9 -14.311 -11.740 -8.022 728 HD2 PHE 9 HD1 PHE 9 -13.572 -8.211 -5.764 729 HE1 PHE 9 HE2 PHE 9 -15.027 -10.368 -9.935 730 HE2 PHE 9 HE1 PHE 9 -14.284 -6.834 -7.672 731 HZ PHE 9 HZ PHE 9 -15.010 -7.913 -9.762 732 H GLU 10 H GLU 10 -14.963 -10.537 -2.574 733 HA GLU 10 HA GLU 10 -16.764 -8.469 -3.514 734 HB2 GLU 10 2HB GLU 10 -18.419 -9.036 -1.674 735 HB3 GLU 10 3HB GLU 10 -18.413 -10.090 -3.079 736 HG2 GLU 10 2HG GLU 10 -17.082 -11.725 -1.837 737 HG3 GLU 10 3HG GLU 10 -17.120 -10.670 -0.423 738 H ILE 11 H ILE 11 -17.092 -6.779 -1.967 739 HA ILE 11 HA ILE 11 -14.713 -6.495 -0.286 740 HB ILE 11 HB ILE 11 -16.743 -4.337 -0.833 741 HG12 ILE 11 2HG1 ILE 11 -16.068 -5.212 -3.016 742 HG13 ILE 11 3HG1 ILE 11 -15.362 -3.624 -2.748 743 HG21 ILE 11 1HG2 ILE 11 -15.144 -3.871 0.919 744 HG22 ILE 11 2HG2 ILE 11 -14.797 -2.862 -0.485 745 HG23 ILE 11 3HG2 ILE 11 -13.804 -4.283 -0.151 746 HD11 ILE 11 3HD1 ILE 11 -13.947 -6.262 -2.461 747 HD12 ILE 11 1HD1 ILE 11 -13.232 -4.675 -2.175 748 HD13 ILE 11 2HD1 ILE 11 -13.774 -5.119 -3.792 749 H GLU 12 H GLU 12 -15.076 -7.416 1.696 750 HA GLU 12 HA GLU 12 -17.644 -7.096 2.988 751 HB2 GLU 12 2HB GLU 12 -16.698 -8.443 4.800 752 HB3 GLU 12 3HB GLU 12 -16.459 -9.212 3.239 753 HG2 GLU 12 2HG GLU 12 -14.144 -8.547 3.217 754 HG3 GLU 12 3HG GLU 12 -14.363 -7.635 4.711 755 H GLU 13 H GLU 13 -14.518 -5.598 3.086 756 HA GLU 13 HA GLU 13 -15.569 -3.501 4.768 757 HB2 GLU 13 2HB GLU 13 -14.795 -5.040 6.474 758 HB3 GLU 13 3HB GLU 13 -13.240 -5.205 5.674 759 HG2 GLU 13 2HG GLU 13 -12.694 -2.909 6.159 760 HG3 GLU 13 3HG GLU 13 -14.292 -2.650 6.860 761 H HIS 14 H HIS 14 -14.820 -1.611 4.038 762 HA HIS 14 HA HIS 14 -12.252 -1.627 2.606 763 HB2 HIS 14 2HB HIS 14 -12.917 0.441 1.505 764 HB3 HIS 14 3HB HIS 14 -14.119 -0.808 1.233 765 HD1 HIS 14 HD1 HIS 14 -13.960 2.630 1.775 766 HD2 HIS 14 HD2 HIS 14 -16.313 -0.406 3.390 767 HE1 HIS 14 HE1 HIS 14 -16.011 3.768 2.693 768 HE2 HIS 14 HE2 HIS 14 -17.508 1.889 3.464 769 H LEU 15 H LEU 15 -10.589 -0.904 3.674 770 HA LEU 15 HA LEU 15 -10.799 -0.340 6.387 771 HB2 LEU 15 2HB LEU 15 -8.413 0.241 4.646 772 HB3 LEU 15 3HB LEU 15 -8.414 -0.090 6.370 773 HG LEU 15 HG LEU 15 -9.144 -2.070 4.205 774 HD11 LEU 15 1HD1 LEU 15 -6.731 -2.000 5.999 775 HD12 LEU 15 2HD1 LEU 15 -6.747 -1.491 4.312 776 HD13 LEU 15 3HD1 LEU 15 -7.084 -3.171 4.727 777 HD21 LEU 15 3HD2 LEU 15 -10.389 -2.500 6.246 778 HD22 LEU 15 1HD2 LEU 15 -8.899 -2.430 7.189 779 HD23 LEU 15 2HD2 LEU 15 -9.141 -3.725 6.014 780 H LEU 16 H LEU 16 -9.267 1.936 4.059 781 HA LEU 16 HA LEU 16 -11.045 4.008 4.898 782 HB2 LEU 16 2HB LEU 16 -9.651 5.446 6.066 783 HB3 LEU 16 3HB LEU 16 -9.333 3.877 6.758 784 HG LEU 16 HG LEU 16 -7.272 4.944 6.691 785 HD11 LEU 16 1HD1 LEU 16 -7.379 3.189 4.267 786 HD12 LEU 16 2HD1 LEU 16 -6.969 2.730 5.923 787 HD13 LEU 16 3HD1 LEU 16 -5.897 3.796 5.009 788 HD21 LEU 16 3HD2 LEU 16 -7.833 5.814 3.874 789 HD22 LEU 16 1HD2 LEU 16 -6.322 6.075 4.746 790 HD23 LEU 16 2HD2 LEU 16 -7.811 6.827 5.318 791 H THR 17 H THR 17 -11.060 5.796 3.612 792 HA THR 17 HA THR 17 -10.000 5.437 0.974 793 HB THR 17 HB THR 17 -11.392 7.867 2.122 794 HG1 THR 17 HG1 THR 17 -12.349 5.351 1.372 795 HG21 THR 17 3HG2 THR 17 -10.293 8.259 -0.026 796 HG22 THR 17 1HG2 THR 17 -12.047 8.276 -0.207 797 HG23 THR 17 2HG2 THR 17 -11.122 6.863 -0.715 798 H LEU 18 H LEU 18 -8.001 6.014 0.381 799 HA LEU 18 HA LEU 18 -6.269 7.448 2.108 800 HB2 LEU 18 2HB LEU 18 -5.942 6.752 -0.811 801 HB3 LEU 18 3HB LEU 18 -4.665 7.337 0.236 802 HG LEU 18 HG LEU 18 -6.130 4.717 0.521 803 HD11 LEU 18 1HD1 LEU 18 -3.301 5.360 -0.289 804 HD12 LEU 18 2HD1 LEU 18 -4.572 4.730 -1.337 805 HD13 LEU 18 3HD1 LEU 18 -3.946 3.740 -0.017 806 HD21 LEU 18 3HD2 LEU 18 -5.519 5.690 2.693 807 HD22 LEU 18 1HD2 LEU 18 -3.850 5.838 2.144 808 HD23 LEU 18 2HD2 LEU 18 -4.579 4.242 2.329 809 H SER 19 H SER 19 -7.480 8.256 -1.145 810 HA SER 19 HA SER 19 -8.143 10.913 -0.423 811 HB2 SER 19 2HB SER 19 -5.526 10.861 -0.569 812 HB3 SER 19 3HB SER 19 -5.803 10.837 -2.310 813 HG SER 19 HG SER 19 -6.473 12.827 -0.424 814 H GLU 20 H GLU 20 -8.950 12.133 -2.257 815 HA GLU 20 HA GLU 20 -9.732 10.383 -4.482 816 HB2 GLU 20 2HB GLU 20 -11.590 11.408 -3.265 817 HB3 GLU 20 3HB GLU 20 -10.913 13.006 -3.540 818 HG2 GLU 20 2HG GLU 20 -11.253 12.752 -5.936 819 HG3 GLU 20 3HG GLU 20 -11.899 11.132 -5.680 820 H ASN 21 H ASN 21 -8.898 10.709 -6.431 821 HA ASN 21 HA ASN 21 -6.941 12.801 -6.794 822 HB2 ASN 21 2HB ASN 21 -6.502 10.519 -7.624 823 HB3 ASN 21 3HB ASN 21 -7.879 10.656 -8.716 824 HD21 ASN 21 1HD2 ASN 21 -4.633 11.702 -8.043 825 HD22 ASN 21 2HD2 ASN 21 -4.322 12.398 -9.593 826 H GLU 22 H GLU 22 -7.027 14.450 -8.257 827 HA GLU 22 HA GLU 22 -9.454 15.790 -8.415 828 HB2 GLU 22 2HB GLU 22 -7.196 16.817 -8.429 829 HB3 GLU 22 3HB GLU 22 -6.997 16.284 -10.092 830 HG2 GLU 22 2HG GLU 22 -8.760 17.702 -10.832 831 HG3 GLU 22 3HG GLU 22 -9.200 18.109 -9.173 832 H LYS 23 H LYS 23 -8.184 13.434 -10.600 833 HA LYS 23 HA LYS 23 -9.673 14.239 -12.901 834 HB2 LYS 23 2HB LYS 23 -8.404 11.614 -12.125 835 HB3 LYS 23 3HB LYS 23 -9.246 11.854 -13.650 836 HG2 LYS 23 2HG LYS 23 -7.665 13.628 -14.237 837 HG3 LYS 23 3HG LYS 23 -6.815 13.364 -12.712 838 HD2 LYS 23 2HD LYS 23 -6.236 11.121 -13.365 839 HD3 LYS 23 3HD LYS 23 -7.209 11.260 -14.834 840 HE2 LYS 23 2HE LYS 23 -5.736 13.066 -15.613 841 HE3 LYS 23 3HE LYS 23 -4.754 12.879 -14.161 842 HZ1 LYS 23 3HZ LYS 23 -4.064 10.749 -14.844 843 HZ2 LYS 23 1HZ LYS 23 -3.909 11.738 -16.208 844 HZ3 LYS 23 2HZ LYS 23 -5.218 10.663 -16.079 845 H GLY 24 H GLY 24 -10.756 13.223 -9.984 846 HA2 GLY 24 2HA GLY 24 -12.986 12.803 -9.417 847 HA3 GLY 24 3HA GLY 24 -13.322 12.423 -11.101 848 H TRP 25 H TRP 25 -10.616 11.045 -9.446 849 HA TRP 25 HA TRP 25 -11.987 8.432 -9.448 850 HB2 TRP 25 2HB TRP 25 -9.087 9.107 -9.982 851 HB3 TRP 25 3HB TRP 25 -9.646 7.472 -9.657 852 HD1 TRP 25 HD1 TRP 25 -12.254 9.048 -11.653 853 HE1 TRP 25 HE1 TRP 25 -12.045 8.421 -14.132 854 HE3 TRP 25 HE3 TRP 25 -7.513 7.124 -11.594 855 HZ2 TRP 25 HZ2 TRP 25 -10.118 7.250 -15.846 856 HZ3 TRP 25 HZ3 TRP 25 -6.563 6.267 -13.700 857 HH2 TRP 25 HH2 TRP 25 -7.843 6.323 -15.780 858 H THR 26 H THR 26 -11.235 6.928 -7.737 859 HA THR 26 HA THR 26 -10.274 8.426 -5.392 860 HB THR 26 HB THR 26 -12.309 6.196 -5.276 861 HG1 THR 26 HG1 THR 26 -12.658 8.688 -6.134 862 HG21 THR 26 3HG2 THR 26 -12.704 7.035 -3.020 863 HG22 THR 26 1HG2 THR 26 -11.497 8.297 -3.260 864 HG23 THR 26 2HG2 THR 26 -11.007 6.603 -3.223 865 H LYS 27 H LYS 27 -8.738 7.478 -4.168 866 HA LYS 27 HA LYS 27 -7.944 4.737 -4.885 867 HB2 LYS 27 2HB LYS 27 -6.317 6.511 -5.570 868 HB3 LYS 27 3HB LYS 27 -6.148 6.951 -3.878 869 HG2 LYS 27 2HG LYS 27 -5.133 4.883 -3.342 870 HG3 LYS 27 3HG LYS 27 -5.562 4.189 -4.908 871 HD2 LYS 27 2HD LYS 27 -3.201 4.798 -4.838 872 HD3 LYS 27 3HD LYS 27 -4.068 5.784 -6.017 873 HE2 LYS 27 2HE LYS 27 -4.240 7.567 -4.288 874 HE3 LYS 27 3HE LYS 27 -3.215 6.588 -3.241 875 HZ1 LYS 27 3HZ LYS 27 -2.426 7.574 -5.934 876 HZ2 LYS 27 1HZ LYS 27 -1.439 6.742 -4.838 877 HZ3 LYS 27 2HZ LYS 27 -1.985 8.308 -4.468 878 H GLU 28 H GLU 28 -8.200 3.319 -3.310 879 HA GLU 28 HA GLU 28 -8.174 4.218 -0.524 880 HB2 GLU 28 2HB GLU 28 -10.502 4.414 -1.171 881 HB3 GLU 28 3HB GLU 28 -10.485 2.800 -1.868 882 HG2 GLU 28 2HG GLU 28 -10.196 1.818 0.319 883 HG3 GLU 28 3HG GLU 28 -10.087 3.416 1.052 884 H ILE 29 H ILE 29 -7.816 2.572 0.985 885 HA ILE 29 HA ILE 29 -6.835 0.039 -0.135 886 HB ILE 29 HB ILE 29 -6.448 1.157 2.653 887 HG12 ILE 29 2HG1 ILE 29 -4.536 1.056 0.308 888 HG13 ILE 29 3HG1 ILE 29 -5.300 2.507 0.947 889 HG21 ILE 29 1HG2 ILE 29 -5.129 -1.188 1.284 890 HG22 ILE 29 2HG2 ILE 29 -6.385 -1.297 2.517 891 HG23 ILE 29 3HG2 ILE 29 -4.808 -0.617 2.923 892 HD11 ILE 29 3HD1 ILE 29 -4.108 2.197 3.057 893 HD12 ILE 29 1HD1 ILE 29 -3.002 2.330 1.689 894 HD13 ILE 29 2HD1 ILE 29 -3.337 0.753 2.402 895 H ASN 30 H ASN 30 -8.040 -1.734 0.110 896 HA ASN 30 HA ASN 30 -10.145 -1.708 2.151 897 HB2 ASN 30 2HB ASN 30 -11.830 -2.468 0.638 898 HB3 ASN 30 3HB ASN 30 -11.103 -1.032 -0.058 899 HD21 ASN 30 1HD2 ASN 30 -8.732 -2.443 -1.057 900 HD22 ASN 30 2HD2 ASN 30 -9.275 -3.396 -2.388 901 H ARG 31 H ARG 31 -11.256 -3.983 2.159 902 HA ARG 31 HA ARG 31 -9.141 -6.017 1.986 903 HB2 ARG 31 2HB ARG 31 -9.568 -5.180 4.322 904 HB3 ARG 31 3HB ARG 31 -11.209 -5.801 4.184 905 HG2 ARG 31 2HG ARG 31 -10.475 -8.020 4.120 906 HG3 ARG 31 3HG ARG 31 -8.808 -7.544 3.793 907 HD2 ARG 31 2HD ARG 31 -9.184 -8.311 6.122 908 HD3 ARG 31 3HD ARG 31 -8.557 -6.669 6.004 909 HE ARG 31 HE ARG 31 -10.705 -5.848 6.632 910 HH11 ARG 31 1HH1 ARG 31 -10.380 -9.319 6.837 911 HH12 ARG 31 2HH1 ARG 31 -11.730 -9.516 7.907 912 HH21 ARG 31 1HH2 ARG 31 -12.421 -6.075 8.105 913 HH22 ARG 31 2HH2 ARG 31 -12.894 -7.668 8.643 914 H VAL 32 H VAL 32 -9.694 -7.572 0.636 915 HA VAL 32 HA VAL 32 -12.524 -7.754 -0.170 916 HB VAL 32 HB VAL 32 -10.113 -8.607 -1.775 917 HG11 VAL 32 1HG1 VAL 32 -12.179 -9.668 -2.467 918 HG12 VAL 32 2HG1 VAL 32 -11.669 -8.490 -3.676 919 HG13 VAL 32 3HG1 VAL 32 -12.979 -8.100 -2.564 920 HG21 VAL 32 3HG2 VAL 32 -10.403 -6.517 -3.047 921 HG22 VAL 32 1HG2 VAL 32 -9.929 -6.231 -1.372 922 HG23 VAL 32 2HG2 VAL 32 -11.604 -5.989 -1.868 923 H SER 33 H SER 33 -13.593 -9.620 -0.007 924 HA SER 33 HA SER 33 -12.274 -11.957 1.068 925 HB2 SER 33 2HB SER 33 -15.129 -11.897 0.122 926 HB3 SER 33 3HB SER 33 -14.424 -12.780 1.479 927 HG SER 33 HG SER 33 -14.413 -10.968 2.693 928 H PHE 34 H PHE 34 -11.037 -13.015 -0.397 929 HA PHE 34 HA PHE 34 -11.933 -13.261 -3.154 930 HB2 PHE 34 2HB PHE 34 -9.334 -14.008 -1.812 931 HB3 PHE 34 3HB PHE 34 -9.677 -14.311 -3.509 932 HD1 PHE 34 HD2 PHE 34 -10.216 -12.314 -4.985 933 HD2 PHE 34 HD1 PHE 34 -8.492 -11.956 -1.112 934 HE1 PHE 34 HE2 PHE 34 -9.425 -10.058 -5.552 935 HE2 PHE 34 HE1 PHE 34 -7.698 -9.695 -1.672 936 HZ PHE 34 HZ PHE 34 -8.161 -8.744 -3.893 937 H ASN 35 H ASN 35 -13.229 -14.829 -3.643 938 HA ASN 35 HA ASN 35 -14.140 -16.865 -3.953 939 HB2 ASN 35 2HB ASN 35 -11.474 -17.818 -2.909 940 HB3 ASN 35 3HB ASN 35 -12.722 -18.904 -3.517 941 HD21 ASN 35 1HD2 ASN 35 -10.029 -18.391 -4.505 942 HD22 ASN 35 2HD2 ASN 35 -10.209 -17.872 -6.150 943 H GLY 36 H GLY 36 -12.322 -17.501 -0.956 944 HA2 GLY 36 2HA GLY 36 -14.848 -18.265 0.325 945 HA3 GLY 36 3HA GLY 36 -13.233 -18.584 0.950 946 H ALA 37 H ALA 37 -13.299 -17.617 2.920 947 HA ALA 37 HA ALA 37 -13.768 -14.706 2.872 948 HB1 ALA 37 3HB ALA 37 -14.709 -14.836 5.107 949 HB2 ALA 37 1HB ALA 37 -14.502 -16.586 5.103 950 HB3 ALA 37 2HB ALA 37 -15.625 -15.829 3.975 951 HA PRO 38 HA PRO 38 -9.674 -15.480 4.978 952 HB2 PRO 38 2HB PRO 38 -7.899 -15.012 3.024 953 HB3 PRO 38 3HB PRO 38 -8.611 -16.610 3.258 954 HG2 PRO 38 2HG PRO 38 -9.232 -14.541 1.215 955 HG3 PRO 38 3HG PRO 38 -9.238 -16.306 1.068 956 HD2 PRO 38 2HD PRO 38 -11.480 -14.674 1.441 957 HD3 PRO 38 3HD PRO 38 -11.420 -16.431 1.672 958 H ALA 39 H ALA 39 -10.858 -13.188 2.671 959 HA ALA 39 HA ALA 39 -10.731 -10.954 2.395 960 HB1 ALA 39 3HB ALA 39 -10.461 -10.923 5.388 961 HB2 ALA 39 1HB ALA 39 -11.978 -11.143 4.514 962 HB3 ALA 39 2HB ALA 39 -11.078 -9.632 4.357 963 H LYS 40 H LYS 40 -8.751 -10.918 1.270 964 HA LYS 40 HA LYS 40 -6.350 -10.295 2.789 965 HB2 LYS 40 2HB LYS 40 -6.840 -10.611 -0.175 966 HB3 LYS 40 3HB LYS 40 -5.293 -10.122 0.503 967 HG2 LYS 40 2HG LYS 40 -5.307 -12.259 1.816 968 HG3 LYS 40 3HG LYS 40 -6.712 -12.746 0.866 969 HD2 LYS 40 2HD LYS 40 -5.405 -12.511 -1.188 970 HD3 LYS 40 3HD LYS 40 -4.002 -12.015 -0.244 971 HE2 LYS 40 2HE LYS 40 -4.060 -14.202 0.914 972 HE3 LYS 40 3HE LYS 40 -5.390 -14.689 -0.135 973 HZ1 LYS 40 3HZ LYS 40 -2.597 -14.073 -0.940 974 HZ2 LYS 40 1HZ LYS 40 -3.865 -14.281 -2.049 975 HZ3 LYS 40 2HZ LYS 40 -3.400 -15.561 -1.043 976 H PHE 41 H PHE 41 -5.095 -8.365 2.234 977 HA PHE 41 HA PHE 41 -6.881 -6.062 2.141 978 HB2 PHE 41 2HB PHE 41 -3.906 -6.161 2.678 979 HB3 PHE 41 3HB PHE 41 -4.987 -4.812 3.000 980 HD1 PHE 41 HD2 PHE 41 -3.868 -8.104 4.122 981 HD2 PHE 41 HD1 PHE 41 -6.469 -4.834 4.896 982 HE1 PHE 41 HE2 PHE 41 -4.244 -8.951 6.402 983 HE2 PHE 41 HE1 PHE 41 -6.851 -5.669 7.175 984 HZ PHE 41 HZ PHE 41 -5.738 -7.731 7.932 985 H ASP 42 H ASP 42 -6.874 -4.578 0.486 986 HA ASP 42 HA ASP 42 -4.932 -5.003 -1.677 987 HB2 ASP 42 2HB ASP 42 -6.969 -6.265 -2.234 988 HB3 ASP 42 3HB ASP 42 -7.932 -4.806 -2.044 989 H ILE 43 H ILE 43 -4.096 -3.188 -2.430 990 HA ILE 43 HA ILE 43 -5.436 -0.636 -1.801 991 HB ILE 43 HB ILE 43 -2.532 -1.065 -2.530 992 HG12 ILE 43 2HG1 ILE 43 -3.735 -0.633 0.216 993 HG13 ILE 43 3HG1 ILE 43 -3.108 -2.167 -0.378 994 HG21 ILE 43 1HG2 ILE 43 -4.000 1.319 -1.405 995 HG22 ILE 43 2HG2 ILE 43 -3.320 1.168 -3.025 996 HG23 ILE 43 3HG2 ILE 43 -2.253 1.216 -1.622 997 HD11 ILE 43 3HD1 ILE 43 -0.883 -1.181 -0.557 998 HD12 ILE 43 1HD1 ILE 43 -1.518 -1.065 1.084 999 HD13 ILE 43 2HD1 ILE 43 -1.517 0.354 0.036 1000 H ARG 44 H ARG 44 -6.451 0.257 -3.529 1001 HA ARG 44 HA ARG 44 -5.234 -0.077 -6.171 1002 HB2 ARG 44 2HB ARG 44 -7.259 -0.882 -7.190 1003 HB3 ARG 44 3HB ARG 44 -6.842 -1.948 -5.853 1004 HG2 ARG 44 2HG ARG 44 -8.526 -0.962 -4.460 1005 HG3 ARG 44 3HG ARG 44 -8.858 0.282 -5.666 1006 HD2 ARG 44 2HD ARG 44 -10.577 -1.373 -5.804 1007 HD3 ARG 44 3HD ARG 44 -9.559 -1.515 -7.234 1008 HE ARG 44 HE ARG 44 -8.540 -3.297 -5.358 1009 HH11 ARG 44 1HH1 ARG 44 -11.517 -2.801 -7.126 1010 HH12 ARG 44 2HH1 ARG 44 -11.956 -4.478 -7.151 1011 HH21 ARG 44 1HH2 ARG 44 -9.082 -5.508 -5.385 1012 HH22 ARG 44 2HH2 ARG 44 -10.548 -6.032 -6.148 1013 H ALA 45 H ALA 45 -6.166 1.262 -7.819 1014 HA ALA 45 HA ALA 45 -7.526 3.666 -6.799 1015 HB1 ALA 45 3HB ALA 45 -5.356 4.090 -7.861 1016 HB2 ALA 45 1HB ALA 45 -6.674 4.797 -8.796 1017 HB3 ALA 45 2HB ALA 45 -5.922 3.296 -9.333 1018 H TRP 46 H TRP 46 -9.667 3.682 -7.207 1019 HA TRP 46 HA TRP 46 -10.580 2.227 -9.597 1020 HB2 TRP 46 2HB TRP 46 -12.701 1.771 -8.337 1021 HB3 TRP 46 3HB TRP 46 -11.278 0.946 -7.717 1022 HD1 TRP 46 HD1 TRP 46 -10.357 1.721 -5.316 1023 HE1 TRP 46 HE1 TRP 46 -11.498 2.954 -3.367 1024 HE3 TRP 46 HE3 TRP 46 -14.409 3.605 -7.800 1025 HZ2 TRP 46 HZ2 TRP 46 -13.797 4.515 -2.938 1026 HZ3 TRP 46 HZ3 TRP 46 -16.034 4.959 -6.543 1027 HH2 TRP 46 HH2 TRP 46 -15.734 5.404 -4.160 1028 H SER 47 H SER 47 -12.725 2.932 -10.396 1029 HA SER 47 HA SER 47 -12.971 5.856 -10.185 1030 HB2 SER 47 2HB SER 47 -13.334 4.135 -12.653 1031 HB3 SER 47 3HB SER 47 -13.524 5.887 -12.579 1032 HG SER 47 HG SER 47 -11.387 6.139 -12.368 1033 HA PRO 48 HA PRO 48 -17.247 5.438 -9.299 1034 HB2 PRO 48 2HB PRO 48 -17.950 7.366 -11.415 1035 HB3 PRO 48 3HB PRO 48 -18.173 7.486 -9.670 1036 HG2 PRO 48 2HG PRO 48 -16.320 8.937 -10.969 1037 HG3 PRO 48 3HG PRO 48 -16.052 8.324 -9.325 1038 HD2 PRO 48 2HD PRO 48 -15.008 7.301 -11.930 1039 HD3 PRO 48 3HD PRO 48 -14.199 7.413 -10.354 1040 H ASP 49 H ASP 49 -17.634 6.296 -12.719 1041 HA ASP 49 HA ASP 49 -19.157 3.805 -13.066 1042 HB2 ASP 49 2HB ASP 49 -19.521 6.543 -14.010 1043 HB3 ASP 49 3HB ASP 49 -19.671 5.353 -15.300 1044 H HIS 50 H HIS 50 -16.373 5.522 -14.157 1045 HA HIS 50 HA HIS 50 -15.993 4.023 -16.554 1046 HB2 HIS 50 2HB HIS 50 -14.144 5.767 -14.927 1047 HB3 HIS 50 3HB HIS 50 -13.606 4.909 -16.369 1048 HD1 HIS 50 HD1 HIS 50 -13.259 7.720 -16.822 1049 HD2 HIS 50 HD2 HIS 50 -17.021 5.992 -17.244 1050 HE1 HIS 50 HE1 HIS 50 -14.576 9.298 -18.265 1051 HE2 HIS 50 HE2 HIS 50 -16.776 8.136 -18.663 1052 H THR 51 H THR 51 -15.195 2.079 -16.808 1053 HA THR 51 HA THR 51 -14.517 0.527 -14.474 1054 HB THR 51 HB THR 51 -14.219 -1.312 -16.266 1055 HG1 THR 51 HG1 THR 51 -15.859 0.173 -17.938 1056 HG21 THR 51 3HG2 THR 51 -16.658 -1.604 -16.465 1057 HG22 THR 51 1HG2 THR 51 -16.892 0.047 -15.885 1058 HG23 THR 51 2HG2 THR 51 -16.180 -1.168 -14.823 1059 H LYS 52 H LYS 52 -12.938 1.634 -17.418 1060 HA LYS 52 HA LYS 52 -10.787 1.578 -18.166 1061 HB2 LYS 52 2HB LYS 52 -9.205 2.735 -16.747 1062 HB3 LYS 52 3HB LYS 52 -10.783 3.488 -16.597 1063 HG2 LYS 52 2HG LYS 52 -11.119 2.567 -14.438 1064 HG3 LYS 52 3HG LYS 52 -9.733 1.487 -14.613 1065 HD2 LYS 52 2HD LYS 52 -8.232 3.423 -14.668 1066 HD3 LYS 52 3HD LYS 52 -9.618 4.499 -14.492 1067 HE2 LYS 52 2HE LYS 52 -8.493 4.181 -12.359 1068 HE3 LYS 52 3HE LYS 52 -10.119 3.507 -12.318 1069 HZ1 LYS 52 3HZ LYS 52 -7.641 1.925 -12.745 1070 HZ2 LYS 52 1HZ LYS 52 -9.216 1.309 -12.592 1071 HZ3 LYS 52 2HZ LYS 52 -8.461 2.062 -11.272 1072 H MET 53 H MET 53 -8.370 1.121 -16.641 1073 HA MET 53 HA MET 53 -8.644 -1.749 -16.037 1074 HB2 MET 53 2HB MET 53 -6.213 -1.934 -16.487 1075 HB3 MET 53 3HB MET 53 -7.133 -1.441 -17.899 1076 HG2 MET 53 2HG MET 53 -6.407 0.835 -17.639 1077 HG3 MET 53 3HG MET 53 -5.598 0.439 -16.123 1078 HE1 MET 53 3HE MET 53 -5.664 -0.290 -20.005 1079 HE2 MET 53 1HE MET 53 -5.652 -1.897 -19.278 1080 HE3 MET 53 2HE MET 53 -4.245 -1.323 -20.174 1081 H GLY 54 H GLY 54 -8.034 -2.455 -14.057 1082 HA2 GLY 54 2HA GLY 54 -7.564 -0.303 -12.112 1083 HA3 GLY 54 3HA GLY 54 -8.206 -1.904 -11.755 1084 H LYS 55 H LYS 55 -5.517 0.062 -11.640 1085 HA LYS 55 HA LYS 55 -3.772 -2.263 -11.245 1086 HB2 LYS 55 2HB LYS 55 -3.246 0.531 -12.094 1087 HB3 LYS 55 3HB LYS 55 -2.030 -0.234 -11.081 1088 HG2 LYS 55 2HG LYS 55 -3.049 -1.236 -13.735 1089 HG3 LYS 55 3HG LYS 55 -1.465 -0.528 -13.405 1090 HD2 LYS 55 2HD LYS 55 -1.080 -2.402 -11.774 1091 HD3 LYS 55 3HD LYS 55 -2.563 -3.142 -12.379 1092 HE2 LYS 55 2HE LYS 55 -0.095 -2.508 -13.992 1093 HE3 LYS 55 3HE LYS 55 -0.600 -4.106 -13.453 1094 HZ1 LYS 55 3HZ LYS 55 -1.318 -4.004 -15.632 1095 HZ2 LYS 55 1HZ LYS 55 -1.803 -2.383 -15.520 1096 HZ3 LYS 55 2HZ LYS 55 -2.723 -3.594 -14.775 1097 H GLY 56 H GLY 56 -2.485 -2.384 -9.416 1098 HA2 GLY 56 2HA GLY 56 -2.406 -0.784 -7.193 1099 HA3 GLY 56 3HA GLY 56 -3.878 -1.742 -7.022 1100 H ILE 57 H ILE 57 -2.862 -2.768 -5.161 1101 HA ILE 57 HA ILE 57 -1.476 -5.138 -5.983 1102 HB ILE 57 HB ILE 57 0.373 -3.494 -5.822 1103 HG12 ILE 57 2HG1 ILE 57 0.635 -5.528 -3.617 1104 HG13 ILE 57 3HG1 ILE 57 0.572 -5.996 -5.314 1105 HG21 ILE 57 1HG2 ILE 57 -0.359 -3.402 -2.899 1106 HG22 ILE 57 2HG2 ILE 57 -0.484 -2.077 -4.058 1107 HG23 ILE 57 3HG2 ILE 57 1.099 -2.715 -3.611 1108 HD11 ILE 57 3HD1 ILE 57 2.860 -5.844 -4.474 1109 HD12 ILE 57 1HD1 ILE 57 2.602 -4.141 -4.096 1110 HD13 ILE 57 2HD1 ILE 57 2.552 -4.688 -5.774 1111 H THR 58 H THR 58 -1.866 -6.793 -4.672 1112 HA THR 58 HA THR 58 -3.560 -6.311 -2.344 1113 HB THR 58 HB THR 58 -2.933 -8.962 -3.661 1114 HG1 THR 58 HG1 THR 58 -4.797 -6.931 -4.338 1115 HG21 THR 58 3HG2 THR 58 -5.072 -9.646 -2.669 1116 HG22 THR 58 1HG2 THR 58 -5.240 -8.050 -1.941 1117 HG23 THR 58 2HG2 THR 58 -3.929 -9.117 -1.432 1118 H LEU 59 H LEU 59 -3.067 -7.113 -0.292 1119 HA LEU 59 HA LEU 59 -0.356 -8.210 0.076 1120 HB2 LEU 59 2HB LEU 59 -1.703 -6.187 1.873 1121 HB3 LEU 59 3HB LEU 59 -0.119 -6.890 2.119 1122 HG LEU 59 HG LEU 59 0.371 -5.800 -0.235 1123 HD11 LEU 59 1HD1 LEU 59 -0.771 -3.657 -0.497 1124 HD12 LEU 59 2HD1 LEU 59 -1.843 -4.063 0.842 1125 HD13 LEU 59 3HD1 LEU 59 -1.887 -5.013 -0.644 1126 HD21 LEU 59 3HD2 LEU 59 0.239 -4.225 2.330 1127 HD22 LEU 59 1HD2 LEU 59 1.241 -3.847 0.929 1128 HD23 LEU 59 2HD2 LEU 59 1.536 -5.319 1.854 1129 H SER 60 H SER 60 -0.112 -9.720 1.705 1130 HA SER 60 HA SER 60 -2.553 -11.006 2.590 1131 HB2 SER 60 2HB SER 60 0.294 -11.774 3.269 1132 HB3 SER 60 3HB SER 60 -1.137 -12.806 3.288 1133 HG SER 60 HG SER 60 0.298 -11.772 1.084 1134 H ASN 61 H ASN 61 -2.421 -11.883 4.949 1135 HA ASN 61 HA ASN 61 -2.903 -9.775 6.672 1136 HB2 ASN 61 2HB ASN 61 -2.628 -11.617 8.488 1137 HB3 ASN 61 3HB ASN 61 -3.909 -11.770 7.295 1138 HD21 ASN 61 1HD2 ASN 61 -4.067 -13.971 7.447 1139 HD22 ASN 61 2HD2 ASN 61 -2.828 -15.048 6.871 1140 H GLU 62 H GLU 62 -0.076 -11.950 6.823 1141 HA GLU 62 HA GLU 62 1.309 -10.547 8.809 1142 HB2 GLU 62 2HB GLU 62 1.845 -12.841 8.170 1143 HB3 GLU 62 3HB GLU 62 2.369 -12.301 6.584 1144 HG2 GLU 62 2HG GLU 62 4.289 -12.748 7.942 1145 HG3 GLU 62 3HG GLU 62 4.177 -11.013 7.653 1146 H GLU 63 H GLU 63 1.431 -10.265 5.291 1147 HA GLU 63 HA GLU 63 3.634 -8.543 5.107 1148 HB2 GLU 63 2HB GLU 63 1.279 -8.539 3.224 1149 HB3 GLU 63 3HB GLU 63 2.949 -8.129 2.858 1150 HG2 GLU 63 2HG GLU 63 3.559 -10.498 3.324 1151 HG3 GLU 63 3HG GLU 63 1.838 -10.849 3.485 1152 H PHE 64 H PHE 64 0.167 -7.870 5.243 1153 HA PHE 64 HA PHE 64 0.412 -5.054 5.016 1154 HB2 PHE 64 2HB PHE 64 -1.623 -6.618 4.604 1155 HB3 PHE 64 3HB PHE 64 -1.902 -6.442 6.331 1156 HD1 PHE 64 HD2 PHE 64 -1.638 -4.586 3.154 1157 HD2 PHE 64 HD1 PHE 64 -2.924 -4.517 7.205 1158 HE1 PHE 64 HE2 PHE 64 -2.871 -2.501 2.721 1159 HE2 PHE 64 HE1 PHE 64 -4.160 -2.434 6.783 1160 HZ PHE 64 HZ PHE 64 -4.140 -1.426 4.540 1161 H GLN 65 H GLN 65 0.133 -7.285 7.746 1162 HA GLN 65 HA GLN 65 -0.047 -5.388 9.809 1163 HB2 GLN 65 2HB GLN 65 -0.479 -7.763 10.193 1164 HB3 GLN 65 3HB GLN 65 1.200 -8.147 9.835 1165 HG2 GLN 65 2HG GLN 65 0.843 -8.184 12.214 1166 HG3 GLN 65 3HG GLN 65 1.902 -6.839 11.791 1167 HE21 GLN 65 1HE2 GLN 65 1.113 -4.725 11.953 1168 HE22 GLN 65 2HE2 GLN 65 -0.310 -4.349 12.867 1169 H THR 66 H THR 66 2.759 -6.925 8.289 1170 HA THR 66 HA THR 66 4.797 -5.754 9.786 1171 HB THR 66 HB THR 66 4.844 -6.386 6.820 1172 HG1 THR 66 HG1 THR 66 4.255 -8.186 8.191 1173 HG21 THR 66 3HG2 THR 66 7.098 -6.149 8.820 1174 HG22 THR 66 1HG2 THR 66 6.738 -5.005 7.527 1175 HG23 THR 66 2HG2 THR 66 7.264 -6.641 7.134 1176 H MET 67 H MET 67 3.127 -4.579 6.894 1177 HA MET 67 HA MET 67 4.552 -2.210 6.494 1178 HB2 MET 67 2HB MET 67 2.985 -3.134 4.850 1179 HB3 MET 67 3HB MET 67 1.639 -2.782 5.925 1180 HG2 MET 67 2HG MET 67 2.280 -0.371 5.788 1181 HG3 MET 67 3HG MET 67 3.432 -0.817 4.531 1182 HE1 MET 67 3HE MET 67 -0.281 -1.935 5.378 1183 HE2 MET 67 1HE MET 67 -1.155 -0.938 4.215 1184 HE3 MET 67 2HE MET 67 -0.239 -0.176 5.515 1185 H VAL 68 H VAL 68 1.442 -2.670 8.151 1186 HA VAL 68 HA VAL 68 1.036 -0.027 8.915 1187 HB VAL 68 HB VAL 68 0.100 -2.564 10.259 1188 HG11 VAL 68 1HG1 VAL 68 -0.901 0.261 10.623 1189 HG12 VAL 68 2HG1 VAL 68 -0.026 -0.693 11.820 1190 HG13 VAL 68 3HG1 VAL 68 -1.639 -1.189 11.305 1191 HG21 VAL 68 3HG2 VAL 68 -0.625 -2.346 7.949 1192 HG22 VAL 68 1HG2 VAL 68 -1.240 -0.728 8.277 1193 HG23 VAL 68 2HG2 VAL 68 -1.988 -2.128 9.046 1194 H ASP 69 H ASP 69 2.418 -2.686 10.841 1195 HA ASP 69 HA ASP 69 2.739 -1.244 13.209 1196 HB2 ASP 69 2HB ASP 69 2.818 -3.657 13.180 1197 HB3 ASP 69 3HB ASP 69 4.261 -3.637 12.173 1198 H ALA 70 H ALA 70 5.107 -1.854 10.618 1199 HA ALA 70 HA ALA 70 7.254 -0.558 11.912 1200 HB1 ALA 70 3HB ALA 70 8.390 -0.641 9.787 1201 HB2 ALA 70 1HB ALA 70 6.868 -0.942 8.951 1202 HB3 ALA 70 2HB ALA 70 7.523 -2.155 10.051 1203 H PHE 71 H PHE 71 4.911 0.584 9.496 1204 HA PHE 71 HA PHE 71 6.030 3.186 9.302 1205 HB2 PHE 71 2HB PHE 71 3.406 2.001 8.471 1206 HB3 PHE 71 3HB PHE 71 3.670 3.736 8.368 1207 HD1 PHE 71 HD2 PHE 71 6.423 3.943 7.472 1208 HD2 PHE 71 HD1 PHE 71 3.395 1.184 6.328 1209 HE1 PHE 71 HE2 PHE 71 7.519 3.650 5.289 1210 HE2 PHE 71 HE1 PHE 71 4.485 0.887 4.148 1211 HZ PHE 71 HZ PHE 71 6.546 2.121 3.623 1212 H LYS 72 H LYS 72 3.380 1.874 11.292 1213 HA LYS 72 HA LYS 72 2.433 4.389 12.158 1214 HB2 LYS 72 2HB LYS 72 1.200 3.204 13.862 1215 HB3 LYS 72 3HB LYS 72 1.121 2.304 12.356 1216 HG2 LYS 72 2HG LYS 72 1.634 0.536 13.606 1217 HG3 LYS 72 3HG LYS 72 3.280 1.165 13.580 1218 HD2 LYS 72 2HD LYS 72 2.693 0.668 15.850 1219 HD3 LYS 72 3HD LYS 72 2.756 2.422 15.669 1220 HE2 LYS 72 2HE LYS 72 0.341 2.526 15.496 1221 HE3 LYS 72 3HE LYS 72 0.240 0.766 15.556 1222 HZ1 LYS 72 3HZ LYS 72 1.227 2.530 17.731 1223 HZ2 LYS 72 1HZ LYS 72 1.167 0.835 17.788 1224 HZ3 LYS 72 2HZ LYS 72 -0.272 1.730 17.690 1225 H GLY 73 H GLY 73 5.093 2.413 13.209 1226 HA2 GLY 73 2HA GLY 73 5.549 4.188 15.502 1227 HA3 GLY 73 3HA GLY 73 6.422 2.704 15.153 1228 H ASN 74 H ASN 74 6.078 4.608 12.378 1229 HA ASN 74 HA ASN 74 8.772 5.734 12.787 1230 HB2 ASN 74 2HB ASN 74 8.944 3.726 11.397 1231 HB3 ASN 74 3HB ASN 74 7.758 4.383 10.277 1232 HD21 ASN 74 1HD2 ASN 74 9.310 4.169 8.604 1233 HD22 ASN 74 2HD2 ASN 74 10.595 5.319 8.438 1234 H LEU 75 H LEU 75 6.088 5.888 10.415 1235 HA LEU 75 HA LEU 75 6.831 8.666 9.890 1236 HB2 LEU 75 2HB LEU 75 6.529 7.149 7.978 1237 HB3 LEU 75 3HB LEU 75 4.862 6.884 8.458 1238 HG LEU 75 HG LEU 75 4.393 9.286 8.074 1239 HD11 LEU 75 1HD1 LEU 75 6.637 10.155 8.451 1240 HD12 LEU 75 2HD1 LEU 75 6.022 10.651 6.876 1241 HD13 LEU 75 3HD1 LEU 75 7.205 9.348 6.989 1242 HD21 LEU 75 3HD2 LEU 75 4.423 9.180 5.644 1243 HD22 LEU 75 1HD2 LEU 75 3.963 7.620 6.326 1244 HD23 LEU 75 2HD2 LEU 75 5.594 7.860 5.701 1245 H GLU 76 H GLU 76 6.048 9.645 11.742 1246 HA GLU 76 HA GLU 76 3.342 10.495 11.632 1247 HB2 GLU 76 2HB GLU 76 3.428 8.100 12.783 1248 HB3 GLU 76 3HB GLU 76 3.926 9.040 14.182 1249 HG2 GLU 76 2HG GLU 76 1.456 9.738 12.647 1250 HG3 GLU 76 3HG GLU 76 1.444 8.480 13.882 1251 H HIS 77 H HIS 77 3.652 12.587 12.083 1252 HA HIS 77 HA HIS 77 6.161 13.345 13.274 1253 HB2 HIS 77 2HB HIS 77 5.433 15.690 12.698 1254 HB3 HIS 77 3HB HIS 77 5.594 14.579 11.347 1255 HD1 HIS 77 HD1 HIS 77 3.725 14.622 9.745 1256 HD2 HIS 77 HD2 HIS 77 2.553 15.931 13.520 1257 HE1 HIS 77 HE1 HIS 77 1.343 15.386 9.496 1258 HE2 HIS 77 HE2 HIS 77 0.707 16.321 11.746 1259 H HIS 78 H HIS 78 3.108 12.813 14.558 1260 HA HIS 78 HA HIS 78 2.300 13.018 16.659 1261 HB2 HIS 78 2HB HIS 78 5.147 13.820 17.250 1262 HB3 HIS 78 3HB HIS 78 3.927 13.588 18.495 1263 HD1 HIS 78 HD1 HIS 78 6.555 11.834 16.843 1264 HD2 HIS 78 HD2 HIS 78 2.784 10.815 18.279 1265 HE1 HIS 78 HE1 HIS 78 6.570 9.332 17.074 1266 HE2 HIS 78 HE2 HIS 78 4.334 8.753 18.084 1267 H HIS 79 H HIS 79 4.575 15.760 16.807 1268 HA HIS 79 HA HIS 79 2.232 17.510 17.147 1269 HB2 HIS 79 2HB HIS 79 3.428 18.808 18.835 1270 HB3 HIS 79 3HB HIS 79 3.276 17.133 19.337 1271 HD1 HIS 79 HD1 HIS 79 5.476 15.769 19.605 1272 HD2 HIS 79 HD2 HIS 79 6.038 19.716 18.408 1273 HE1 HIS 79 HE1 HIS 79 7.930 16.235 19.902 1274 HE2 HIS 79 HE2 HIS 79 8.217 18.668 19.313 1275 H HIS 80 H HIS 80 3.088 17.248 14.715 1276 HA HIS 80 HA HIS 80 3.772 18.343 12.847 1277 HB2 HIS 80 2HB HIS 80 4.446 20.614 14.732 1278 HB3 HIS 80 3HB HIS 80 4.484 20.721 12.975 1279 HD1 HIS 80 HD1 HIS 80 2.187 20.805 11.746 1280 HD2 HIS 80 HD2 HIS 80 1.931 20.689 15.894 1281 HE1 HIS 80 HE1 HIS 80 -0.193 21.399 12.295 1282 HE2 HIS 80 HE2 HIS 80 -0.377 21.065 14.789 1283 H HIS 81 H HIS 81 6.022 18.941 15.522 1284 HA HIS 81 HA HIS 81 8.293 18.379 13.758 1285 HB2 HIS 81 2HB HIS 81 8.327 19.205 16.672 1286 HB3 HIS 81 3HB HIS 81 9.688 19.204 15.557 1287 HD1 HIS 81 HD1 HIS 81 9.962 21.217 14.021 1288 HD2 HIS 81 HD2 HIS 81 6.502 21.345 16.325 1289 HE1 HIS 81 HE1 HIS 81 9.048 23.541 13.747 1290 HE2 HIS 81 HE2 HIS 81 7.097 23.655 15.336 1291 H HIS 82 H HIS 82 9.520 16.544 13.968 1292 HA HIS 82 HA HIS 82 8.483 14.560 15.869 1293 HB2 HIS 82 2HB HIS 82 9.688 12.885 14.351 1294 HB3 HIS 82 3HB HIS 82 8.236 13.647 13.721 1295 HD1 HIS 82 HD1 HIS 82 8.520 14.047 11.310 1296 HD2 HIS 82 HD2 HIS 82 12.069 14.684 13.390 1297 HE1 HIS 82 HE1 HIS 82 10.192 14.798 9.591 1298 HE2 HIS 82 HE2 HIS 82 12.300 15.285 10.885 Start of MODEL 9 1 H1 MET 1 1H MET 1 21.092 20.614 -23.884 2 H2 MET 1 2H MET 1 19.566 20.949 -23.224 3 H3 MET 1 3H MET 1 19.817 21.096 -24.894 4 HA MET 1 HA MET 1 20.162 18.754 -25.115 5 HB2 MET 1 2HB MET 1 19.794 18.790 -22.123 6 HB3 MET 1 3HB MET 1 19.592 17.326 -23.078 7 HG2 MET 1 2HG MET 1 22.093 18.992 -22.920 8 HG3 MET 1 3HG MET 1 21.810 17.468 -22.076 9 HE1 MET 1 3HE MET 1 24.113 16.536 -23.126 10 HE2 MET 1 1HE MET 1 24.340 18.067 -23.975 11 HE3 MET 1 2HE MET 1 24.452 16.546 -24.857 12 H LYS 2 H LYS 2 17.829 19.571 -22.538 13 HA LYS 2 HA LYS 2 15.566 19.446 -22.435 14 HB2 LYS 2 2HB LYS 2 15.813 20.115 -25.375 15 HB3 LYS 2 3HB LYS 2 14.300 20.130 -24.478 16 HG2 LYS 2 2HG LYS 2 15.131 21.888 -23.037 17 HG3 LYS 2 3HG LYS 2 16.698 21.840 -23.849 18 HD2 LYS 2 2HD LYS 2 15.354 23.698 -24.671 19 HD3 LYS 2 3HD LYS 2 15.625 22.509 -25.946 20 HE2 LYS 2 2HE LYS 2 13.393 21.561 -25.508 21 HE3 LYS 2 3HE LYS 2 13.128 22.800 -24.279 22 HZ1 LYS 2 3HZ LYS 2 13.617 23.316 -27.163 23 HZ2 LYS 2 1HZ LYS 2 13.337 24.496 -25.977 24 HZ3 LYS 2 2HZ LYS 2 12.111 23.399 -26.390 25 H LYS 3 H LYS 3 16.827 17.033 -22.584 26 HA LYS 3 HA LYS 3 15.172 15.438 -24.423 27 HB2 LYS 3 2HB LYS 3 16.926 13.728 -24.298 28 HB3 LYS 3 3HB LYS 3 17.570 15.259 -24.873 29 HG2 LYS 3 2HG LYS 3 18.541 15.718 -22.723 30 HG3 LYS 3 3HG LYS 3 17.779 14.285 -22.033 31 HD2 LYS 3 2HD LYS 3 19.079 12.910 -23.667 32 HD3 LYS 3 3HD LYS 3 19.941 14.381 -24.132 33 HE2 LYS 3 2HE LYS 3 20.760 14.661 -21.887 34 HE3 LYS 3 3HE LYS 3 19.807 13.289 -21.327 35 HZ1 LYS 3 3HZ LYS 3 22.022 12.560 -21.617 36 HZ2 LYS 3 1HZ LYS 3 22.129 13.233 -23.172 37 HZ3 LYS 3 2HZ LYS 3 21.126 11.898 -22.894 38 H MET 4 H MET 4 13.921 13.822 -23.624 39 HA MET 4 HA MET 4 14.353 12.917 -20.878 40 HB2 MET 4 2HB MET 4 11.697 13.863 -21.968 41 HB3 MET 4 3HB MET 4 11.872 12.927 -20.492 42 HG2 MET 4 2HG MET 4 13.256 14.732 -19.548 43 HG3 MET 4 3HG MET 4 12.982 15.674 -21.013 44 HE1 MET 4 3HE MET 4 10.564 16.545 -21.777 45 HE2 MET 4 1HE MET 4 9.088 16.211 -20.871 46 HE3 MET 4 2HE MET 4 9.950 14.895 -21.669 47 H ALA 5 H ALA 5 12.071 12.477 -23.570 48 HA ALA 5 HA ALA 5 11.339 10.672 -24.713 49 HB1 ALA 5 3HB ALA 5 12.822 8.769 -25.056 50 HB2 ALA 5 1HB ALA 5 13.879 9.351 -23.768 51 HB3 ALA 5 2HB ALA 5 13.684 10.297 -25.245 52 H GLU 6 H GLU 6 12.943 8.757 -22.202 53 HA GLU 6 HA GLU 6 10.335 7.633 -21.496 54 HB2 GLU 6 2HB GLU 6 13.150 6.781 -20.805 55 HB3 GLU 6 3HB GLU 6 11.713 6.006 -20.159 56 HG2 GLU 6 2HG GLU 6 11.029 5.477 -22.493 57 HG3 GLU 6 3HG GLU 6 12.582 6.113 -23.038 58 H PHE 7 H PHE 7 10.045 7.141 -19.110 59 HA PHE 7 HA PHE 7 10.675 9.530 -17.569 60 HB2 PHE 7 2HB PHE 7 8.845 7.195 -16.979 61 HB3 PHE 7 3HB PHE 7 9.094 8.559 -15.894 62 HD1 PHE 7 HD2 PHE 7 8.223 10.767 -16.453 63 HD2 PHE 7 HD1 PHE 7 7.522 7.411 -18.972 64 HE1 PHE 7 HE2 PHE 7 6.453 12.019 -17.615 65 HE2 PHE 7 HE1 PHE 7 5.750 8.656 -20.144 66 HZ PHE 7 HZ PHE 7 5.218 10.960 -19.466 67 H THR 8 H THR 8 12.738 9.365 -16.911 68 HA THR 8 HA THR 8 13.951 6.942 -16.068 69 HB THR 8 HB THR 8 14.864 9.782 -15.543 70 HG1 THR 8 HG1 THR 8 16.243 9.111 -17.482 71 HG21 THR 8 3HG2 THR 8 16.396 7.180 -15.639 72 HG22 THR 8 1HG2 THR 8 16.029 8.113 -14.187 73 HG23 THR 8 2HG2 THR 8 17.102 8.783 -15.417 74 H PHE 9 H PHE 9 13.613 5.949 -14.208 75 HA PHE 9 HA PHE 9 12.636 7.523 -11.936 76 HB2 PHE 9 2HB PHE 9 11.690 5.440 -11.072 77 HB3 PHE 9 3HB PHE 9 11.107 5.757 -12.701 78 HD1 PHE 9 HD2 PHE 9 12.088 4.459 -14.615 79 HD2 PHE 9 HD1 PHE 9 12.844 3.467 -10.546 80 HE1 PHE 9 HE2 PHE 9 12.804 2.208 -15.300 81 HE2 PHE 9 HE1 PHE 9 13.559 1.213 -11.224 82 HZ PHE 9 HZ PHE 9 13.538 0.580 -13.602 83 H GLU 10 H GLU 10 13.737 7.583 -10.083 84 HA GLU 10 HA GLU 10 16.024 5.762 -9.767 85 HB2 GLU 10 2HB GLU 10 16.901 7.935 -10.380 86 HB3 GLU 10 3HB GLU 10 15.919 8.723 -9.152 87 HG2 GLU 10 2HG GLU 10 17.196 7.700 -7.398 88 HG3 GLU 10 3HG GLU 10 18.094 6.728 -8.563 89 H ILE 11 H ILE 11 15.967 4.630 -7.942 90 HA ILE 11 HA ILE 11 13.942 5.199 -5.954 91 HB ILE 11 HB ILE 11 16.095 3.073 -5.893 92 HG12 ILE 11 2HG1 ILE 11 13.243 2.843 -6.881 93 HG13 ILE 11 3HG1 ILE 11 14.662 2.918 -7.918 94 HG21 ILE 11 1HG2 ILE 11 13.484 3.328 -4.401 95 HG22 ILE 11 2HG2 ILE 11 15.104 3.488 -3.721 96 HG23 ILE 11 3HG2 ILE 11 14.557 1.931 -4.341 97 HD11 ILE 11 3HD1 ILE 11 13.866 0.639 -7.662 98 HD12 ILE 11 1HD1 ILE 11 14.060 0.754 -5.914 99 HD13 ILE 11 2HD1 ILE 11 15.475 0.831 -6.965 100 H GLU 12 H GLU 12 14.500 7.052 -4.865 101 HA GLU 12 HA GLU 12 17.204 7.574 -4.064 102 HB2 GLU 12 2HB GLU 12 14.698 8.970 -3.120 103 HB3 GLU 12 3HB GLU 12 16.346 9.574 -3.022 104 HG2 GLU 12 2HG GLU 12 16.327 9.389 -5.588 105 HG3 GLU 12 3HG GLU 12 14.575 9.306 -5.409 106 H GLU 13 H GLU 13 14.214 6.723 -2.351 107 HA GLU 13 HA GLU 13 15.870 5.970 -0.045 108 HB2 GLU 13 2HB GLU 13 14.714 8.148 0.321 109 HB3 GLU 13 3HB GLU 13 13.172 7.334 0.103 110 HG2 GLU 13 2HG GLU 13 13.695 7.682 2.458 111 HG3 GLU 13 3HG GLU 13 13.594 5.965 2.062 112 H HIS 14 H HIS 14 15.053 4.294 1.258 113 HA HIS 14 HA HIS 14 12.958 2.660 -0.032 114 HB2 HIS 14 2HB HIS 14 14.120 0.655 0.795 115 HB3 HIS 14 3HB HIS 14 15.175 1.600 -0.247 116 HD1 HIS 14 HD1 HIS 14 15.059 0.009 3.013 117 HD2 HIS 14 HD2 HIS 14 17.105 3.205 1.304 118 HE1 HIS 14 HE1 HIS 14 16.977 0.498 4.560 119 HE2 HIS 14 HE2 HIS 14 18.044 2.577 3.633 120 H LEU 15 H LEU 15 11.309 1.923 1.276 121 HA LEU 15 HA LEU 15 11.287 2.969 3.983 122 HB2 LEU 15 2HB LEU 15 9.143 1.527 2.428 123 HB3 LEU 15 3HB LEU 15 8.952 2.074 4.078 124 HG LEU 15 HG LEU 15 7.889 3.738 2.899 125 HD11 LEU 15 1HD1 LEU 15 10.730 4.721 3.016 126 HD12 LEU 15 2HD1 LEU 15 9.551 4.776 4.330 127 HD13 LEU 15 3HD1 LEU 15 9.288 5.728 2.866 128 HD21 LEU 15 3HD2 LEU 15 8.439 2.920 0.698 129 HD22 LEU 15 1HD2 LEU 15 10.051 3.617 0.832 130 HD23 LEU 15 2HD2 LEU 15 8.634 4.669 0.797 131 H LEU 16 H LEU 16 10.260 -0.169 2.645 132 HA LEU 16 HA LEU 16 12.076 -1.693 4.215 133 HB2 LEU 16 2HB LEU 16 10.593 -2.711 5.784 134 HB3 LEU 16 3HB LEU 16 10.469 -0.974 5.987 135 HG LEU 16 HG LEU 16 8.474 -2.371 4.246 136 HD11 LEU 16 1HD1 LEU 16 8.542 -3.715 6.281 137 HD12 LEU 16 2HD1 LEU 16 7.053 -2.776 6.194 138 HD13 LEU 16 3HD1 LEU 16 8.361 -2.261 7.258 139 HD21 LEU 16 3HD2 LEU 16 7.015 -0.589 5.110 140 HD22 LEU 16 1HD2 LEU 16 8.456 0.055 4.322 141 HD23 LEU 16 2HD2 LEU 16 8.354 0.020 6.082 142 H THR 17 H THR 17 11.605 -4.039 4.055 143 HA THR 17 HA THR 17 10.118 -4.699 1.616 144 HB THR 17 HB THR 17 11.978 -6.448 3.246 145 HG1 THR 17 HG1 THR 17 12.458 -4.514 1.315 146 HG21 THR 17 3HG2 THR 17 10.395 -7.726 1.893 147 HG22 THR 17 1HG2 THR 17 12.025 -7.859 1.232 148 HG23 THR 17 2HG2 THR 17 10.847 -6.795 0.465 149 H LEU 18 H LEU 18 8.232 -5.844 1.729 150 HA LEU 18 HA LEU 18 7.079 -6.121 4.373 151 HB2 LEU 18 2HB LEU 18 5.838 -6.646 1.674 152 HB3 LEU 18 3HB LEU 18 4.983 -6.547 3.202 153 HG LEU 18 HG LEU 18 6.425 -4.283 1.823 154 HD11 LEU 18 1HD1 LEU 18 3.486 -4.808 2.240 155 HD12 LEU 18 2HD1 LEU 18 4.358 -4.906 0.710 156 HD13 LEU 18 3HD1 LEU 18 4.183 -3.353 1.526 157 HD21 LEU 18 3HD2 LEU 18 4.834 -4.307 4.385 158 HD22 LEU 18 1HD2 LEU 18 5.463 -2.871 3.575 159 HD23 LEU 18 2HD2 LEU 18 6.575 -4.068 4.239 160 H SER 19 H SER 19 7.547 -8.230 1.540 161 HA SER 19 HA SER 19 7.935 -10.512 3.241 162 HB2 SER 19 2HB SER 19 5.979 -11.755 2.218 163 HB3 SER 19 3HB SER 19 5.544 -10.479 3.358 164 HG SER 19 HG SER 19 4.353 -10.538 1.291 165 H GLU 20 H GLU 20 8.683 -12.328 2.138 166 HA GLU 20 HA GLU 20 9.065 -12.048 -0.765 167 HB2 GLU 20 2HB GLU 20 11.216 -11.867 0.443 168 HB3 GLU 20 3HB GLU 20 10.903 -13.415 1.221 169 HG2 GLU 20 2HG GLU 20 10.796 -14.398 -1.118 170 HG3 GLU 20 3HG GLU 20 11.480 -12.871 -1.674 171 H ASN 21 H ASN 21 7.779 -13.462 -1.763 172 HA ASN 21 HA ASN 21 7.134 -15.978 -0.368 173 HB2 ASN 21 2HB ASN 21 5.232 -14.393 -0.889 174 HB3 ASN 21 3HB ASN 21 5.552 -14.675 -2.596 175 HD21 ASN 21 1HD2 ASN 21 3.559 -15.619 -2.987 176 HD22 ASN 21 2HD2 ASN 21 3.126 -17.184 -2.372 177 H GLU 22 H GLU 22 7.464 -17.895 -1.382 178 HA GLU 22 HA GLU 22 8.191 -19.428 -2.898 179 HB2 GLU 22 2HB GLU 22 7.660 -17.266 -4.950 180 HB3 GLU 22 3HB GLU 22 7.867 -18.979 -5.283 181 HG2 GLU 22 2HG GLU 22 5.833 -19.489 -4.074 182 HG3 GLU 22 3HG GLU 22 5.640 -17.789 -3.646 183 H LYS 23 H LYS 23 9.974 -17.391 -1.684 184 HA LYS 23 HA LYS 23 12.040 -16.476 -1.780 185 HB2 LYS 23 2HB LYS 23 13.829 -17.998 -2.307 186 HB3 LYS 23 3HB LYS 23 12.552 -18.857 -1.465 187 HG2 LYS 23 2HG LYS 23 11.833 -19.904 -3.491 188 HG3 LYS 23 3HG LYS 23 12.931 -18.910 -4.450 189 HD2 LYS 23 2HD LYS 23 14.844 -19.950 -3.315 190 HD3 LYS 23 3HD LYS 23 13.737 -20.959 -2.382 191 HE2 LYS 23 2HE LYS 23 14.701 -22.157 -4.303 192 HE3 LYS 23 3HE LYS 23 12.946 -22.023 -4.406 193 HZ1 LYS 23 3HZ LYS 23 14.147 -21.567 -6.518 194 HZ2 LYS 23 1HZ LYS 23 14.822 -20.189 -5.802 195 HZ3 LYS 23 2HZ LYS 23 13.140 -20.300 -6.018 196 H GLY 24 H GLY 24 10.345 -15.735 -4.020 197 HA2 GLY 24 2HA GLY 24 12.458 -14.679 -5.728 198 HA3 GLY 24 3HA GLY 24 11.240 -15.670 -6.522 199 H TRP 25 H TRP 25 8.946 -14.924 -5.264 200 HA TRP 25 HA TRP 25 8.470 -12.332 -6.408 201 HB2 TRP 25 2HB TRP 25 6.686 -14.237 -4.875 202 HB3 TRP 25 3HB TRP 25 6.132 -12.703 -5.534 203 HD1 TRP 25 HD1 TRP 25 7.728 -15.996 -6.846 204 HE1 TRP 25 HE1 TRP 25 6.781 -16.455 -9.197 205 HE3 TRP 25 HE3 TRP 25 4.871 -11.794 -7.389 206 HZ2 TRP 25 HZ2 TRP 25 5.033 -15.194 -11.032 207 HZ3 TRP 25 HZ3 TRP 25 3.592 -11.495 -9.465 208 HH2 TRP 25 HH2 TRP 25 3.672 -13.159 -11.249 209 H THR 26 H THR 26 9.298 -10.652 -5.329 210 HA THR 26 HA THR 26 9.023 -10.617 -2.401 211 HB THR 26 HB THR 26 10.834 -8.895 -4.102 212 HG1 THR 26 HG1 THR 26 11.204 -11.327 -3.965 213 HG21 THR 26 3HG2 THR 26 10.300 -7.936 -1.921 214 HG22 THR 26 1HG2 THR 26 11.982 -8.466 -1.974 215 HG23 THR 26 2HG2 THR 26 10.776 -9.439 -1.132 216 H LYS 27 H LYS 27 7.937 -9.013 -1.406 217 HA LYS 27 HA LYS 27 6.761 -6.918 -3.107 218 HB2 LYS 27 2HB LYS 27 5.120 -8.678 -2.445 219 HB3 LYS 27 3HB LYS 27 5.442 -8.301 -0.760 220 HG2 LYS 27 2HG LYS 27 4.393 -6.229 -0.894 221 HG3 LYS 27 3HG LYS 27 4.485 -6.194 -2.657 222 HD2 LYS 27 2HD LYS 27 2.203 -6.651 -1.861 223 HD3 LYS 27 3HD LYS 27 2.857 -7.987 -2.807 224 HE2 LYS 27 2HE LYS 27 3.416 -9.167 -0.728 225 HE3 LYS 27 3HE LYS 27 2.723 -7.840 0.201 226 HZ1 LYS 27 3HZ LYS 27 0.586 -8.294 -0.963 227 HZ2 LYS 27 1HZ LYS 27 1.106 -9.555 0.048 228 HZ3 LYS 27 2HZ LYS 27 1.286 -9.684 -1.630 229 H GLU 28 H GLU 28 7.415 -4.962 -2.521 230 HA GLU 28 HA GLU 28 8.032 -4.405 0.281 231 HB2 GLU 28 2HB GLU 28 10.253 -3.502 -0.323 232 HB3 GLU 28 3HB GLU 28 10.132 -5.234 -0.600 233 HG2 GLU 28 2HG GLU 28 9.681 -4.735 -3.006 234 HG3 GLU 28 3HG GLU 28 10.040 -3.046 -2.655 235 H ILE 29 H ILE 29 8.703 -2.037 0.523 236 HA ILE 29 HA ILE 29 7.255 -0.369 -1.432 237 HB ILE 29 HB ILE 29 7.209 0.029 1.571 238 HG12 ILE 29 2HG1 ILE 29 5.032 -0.919 -0.309 239 HG13 ILE 29 3HG1 ILE 29 5.873 -1.920 0.869 240 HG21 ILE 29 1HG2 ILE 29 7.097 2.124 0.334 241 HG22 ILE 29 2HG2 ILE 29 5.539 1.764 1.076 242 HG23 ILE 29 3HG2 ILE 29 5.779 1.489 -0.650 243 HD11 ILE 29 3HD1 ILE 29 3.691 -1.295 1.686 244 HD12 ILE 29 1HD1 ILE 29 4.078 0.415 1.477 245 HD13 ILE 29 2HD1 ILE 29 4.949 -0.547 2.673 246 H ASN 30 H ASN 30 8.286 1.475 -2.048 247 HA ASN 30 HA ASN 30 10.626 2.384 -0.591 248 HB2 ASN 30 2HB ASN 30 12.184 2.127 -2.421 249 HB3 ASN 30 3HB ASN 30 11.493 0.561 -2.033 250 HD21 ASN 30 1HD2 ASN 30 8.961 1.120 -3.452 251 HD22 ASN 30 2HD2 ASN 30 9.333 1.050 -5.136 252 H ARG 31 H ARG 31 11.657 4.303 -1.799 253 HA ARG 31 HA ARG 31 9.441 5.918 -2.862 254 HB2 ARG 31 2HB ARG 31 11.869 6.645 -1.254 255 HB3 ARG 31 3HB ARG 31 11.007 7.859 -2.188 256 HG2 ARG 31 2HG ARG 31 8.973 7.406 -0.943 257 HG3 ARG 31 3HG ARG 31 9.805 6.145 -0.028 258 HD2 ARG 31 2HD ARG 31 9.631 8.291 1.196 259 HD3 ARG 31 3HD ARG 31 11.292 7.756 0.950 260 HE ARG 31 HE ARG 31 10.383 9.559 -1.092 261 HH11 ARG 31 1HH1 ARG 31 11.636 9.370 2.173 262 HH12 ARG 31 2HH1 ARG 31 12.420 10.924 2.106 263 HH21 ARG 31 1HH2 ARG 31 11.437 11.605 -1.197 264 HH22 ARG 31 2HH2 ARG 31 12.311 12.179 0.184 265 H VAL 32 H VAL 32 9.508 6.299 -4.968 266 HA VAL 32 HA VAL 32 12.149 6.331 -6.290 267 HB VAL 32 HB VAL 32 9.597 5.353 -7.577 268 HG11 VAL 32 1HG1 VAL 32 12.491 5.095 -8.382 269 HG12 VAL 32 2HG1 VAL 32 11.281 6.131 -9.141 270 HG13 VAL 32 3HG1 VAL 32 11.124 4.376 -9.229 271 HG21 VAL 32 3HG2 VAL 32 11.773 3.726 -6.278 272 HG22 VAL 32 1HG2 VAL 32 10.489 3.073 -7.293 273 HG23 VAL 32 2HG2 VAL 32 10.093 3.848 -5.759 274 H SER 33 H SER 33 12.570 8.010 -7.592 275 HA SER 33 HA SER 33 10.478 10.005 -8.020 276 HB2 SER 33 2HB SER 33 13.442 10.178 -8.616 277 HB3 SER 33 3HB SER 33 12.289 11.514 -8.607 278 HG SER 33 HG SER 33 13.020 11.676 -6.617 279 H PHE 34 H PHE 34 9.267 9.499 -9.769 280 HA PHE 34 HA PHE 34 10.516 8.371 -12.141 281 HB2 PHE 34 2HB PHE 34 7.625 8.994 -11.506 282 HB3 PHE 34 3HB PHE 34 8.173 8.274 -13.014 283 HD1 PHE 34 HD2 PHE 34 7.706 7.726 -9.416 284 HD2 PHE 34 HD1 PHE 34 8.812 5.976 -13.131 285 HE1 PHE 34 HE2 PHE 34 7.524 5.491 -8.409 286 HE2 PHE 34 HE1 PHE 34 8.628 3.732 -12.132 287 HZ PHE 34 HZ PHE 34 7.985 3.489 -9.770 288 H ASN 35 H ASN 35 11.736 10.031 -12.992 289 HA ASN 35 HA ASN 35 12.213 11.860 -14.254 290 HB2 ASN 35 2HB ASN 35 10.398 10.845 -15.677 291 HB3 ASN 35 3HB ASN 35 9.252 11.930 -14.900 292 HD21 ASN 35 1HD2 ASN 35 12.000 11.727 -17.048 293 HD22 ASN 35 2HD2 ASN 35 11.791 13.278 -17.774 294 H GLY 36 H GLY 36 11.172 12.084 -11.426 295 HA2 GLY 36 2HA GLY 36 10.721 14.990 -11.480 296 HA3 GLY 36 3HA GLY 36 9.689 13.955 -10.500 297 H ALA 37 H ALA 37 10.944 15.901 -9.207 298 HA ALA 37 HA ALA 37 13.438 14.972 -8.125 299 HB1 ALA 37 3HB ALA 37 13.040 17.362 -8.372 300 HB2 ALA 37 1HB ALA 37 13.350 16.935 -6.690 301 HB3 ALA 37 2HB ALA 37 11.704 17.260 -7.228 302 HA PRO 38 HA PRO 38 10.780 14.192 -4.193 303 HB2 PRO 38 2HB PRO 38 8.089 14.076 -4.428 304 HB3 PRO 38 3HB PRO 38 8.954 15.584 -4.111 305 HG2 PRO 38 2HG PRO 38 7.864 14.532 -6.691 306 HG3 PRO 38 3HG PRO 38 7.809 16.181 -6.039 307 HD2 PRO 38 2HD PRO 38 9.613 15.388 -7.924 308 HD3 PRO 38 3HD PRO 38 9.952 16.660 -6.736 309 H ALA 39 H ALA 39 11.276 12.126 -3.909 310 HA ALA 39 HA ALA 39 10.331 10.037 -5.646 311 HB1 ALA 39 3HB ALA 39 11.566 8.543 -4.169 312 HB2 ALA 39 1HB ALA 39 11.787 9.853 -3.009 313 HB3 ALA 39 2HB ALA 39 12.551 9.941 -4.596 314 H LYS 40 H LYS 40 8.256 9.428 -5.539 315 HA LYS 40 HA LYS 40 6.787 9.717 -3.052 316 HB2 LYS 40 2HB LYS 40 5.852 8.696 -5.744 317 HB3 LYS 40 3HB LYS 40 4.819 8.980 -4.349 318 HG2 LYS 40 2HG LYS 40 5.946 11.400 -4.549 319 HG3 LYS 40 3HG LYS 40 6.031 10.897 -6.239 320 HD2 LYS 40 2HD LYS 40 3.556 11.024 -4.518 321 HD3 LYS 40 3HD LYS 40 3.974 12.112 -5.838 322 HE2 LYS 40 2HE LYS 40 3.873 10.190 -7.392 323 HE3 LYS 40 3HE LYS 40 3.355 9.170 -6.050 324 HZ1 LYS 40 3HZ LYS 40 1.371 10.479 -5.817 325 HZ2 LYS 40 1HZ LYS 40 1.501 9.982 -7.434 326 HZ3 LYS 40 2HZ LYS 40 1.887 11.578 -6.997 327 H PHE 41 H PHE 41 5.222 7.826 -2.537 328 HA PHE 41 HA PHE 41 7.003 5.631 -1.895 329 HB2 PHE 41 2HB PHE 41 4.151 6.143 -1.034 330 HB3 PHE 41 3HB PHE 41 5.248 4.948 -0.348 331 HD1 PHE 41 HD2 PHE 41 7.080 5.623 1.089 332 HD2 PHE 41 HD1 PHE 41 4.372 8.484 -0.521 333 HE1 PHE 41 HE2 PHE 41 7.881 7.290 2.710 334 HE2 PHE 41 HE1 PHE 41 5.165 10.154 1.099 335 HZ PHE 41 HZ PHE 41 6.922 9.559 2.720 336 H ASP 42 H ASP 42 7.148 3.976 -3.212 337 HA ASP 42 HA ASP 42 4.827 3.190 -4.836 338 HB2 ASP 42 2HB ASP 42 6.607 3.775 -6.291 339 HB3 ASP 42 3HB ASP 42 7.800 2.950 -5.294 340 H ILE 43 H ILE 43 3.852 1.375 -4.322 341 HA ILE 43 HA ILE 43 5.242 -0.588 -2.632 342 HB ILE 43 HB ILE 43 2.302 -0.532 -3.351 343 HG12 ILE 43 2HG1 ILE 43 3.653 0.563 -0.869 344 HG13 ILE 43 3HG1 ILE 43 2.944 1.533 -2.156 345 HG21 ILE 43 1HG2 ILE 43 2.082 -1.982 -1.368 346 HG22 ILE 43 2HG2 ILE 43 3.836 -1.969 -1.182 347 HG23 ILE 43 3HG2 ILE 43 3.106 -2.698 -2.613 348 HD11 ILE 43 3HD1 ILE 43 1.455 -0.365 -0.355 349 HD12 ILE 43 1HD1 ILE 43 0.746 0.616 -1.638 350 HD13 ILE 43 2HD1 ILE 43 1.471 1.394 -0.232 351 H ARG 44 H ARG 44 6.189 -2.205 -3.711 352 HA ARG 44 HA ARG 44 5.052 -2.970 -6.316 353 HB2 ARG 44 2HB ARG 44 7.431 -3.221 -7.107 354 HB3 ARG 44 3HB ARG 44 6.916 -1.566 -6.808 355 HG2 ARG 44 2HG ARG 44 8.011 -1.694 -4.578 356 HG3 ARG 44 3HG ARG 44 8.632 -3.281 -5.028 357 HD2 ARG 44 2HD ARG 44 9.161 -0.744 -6.561 358 HD3 ARG 44 3HD ARG 44 10.250 -1.420 -5.352 359 HE ARG 44 HE ARG 44 9.580 -2.667 -7.943 360 HH11 ARG 44 1HH1 ARG 44 11.646 -2.357 -5.139 361 HH12 ARG 44 2HH1 ARG 44 12.935 -3.311 -5.807 362 HH21 ARG 44 1HH2 ARG 44 11.290 -3.881 -8.866 363 HH22 ARG 44 2HH2 ARG 44 12.747 -4.147 -7.954 364 H ALA 45 H ALA 45 4.754 -5.053 -6.615 365 HA ALA 45 HA ALA 45 6.335 -6.968 -5.022 366 HB1 ALA 45 3HB ALA 45 3.960 -7.135 -4.519 367 HB2 ALA 45 1HB ALA 45 4.499 -8.572 -5.387 368 HB3 ALA 45 2HB ALA 45 3.588 -7.321 -6.234 369 H TRP 46 H TRP 46 7.965 -7.712 -6.248 370 HA TRP 46 HA TRP 46 7.480 -7.926 -9.137 371 HB2 TRP 46 2HB TRP 46 9.978 -7.743 -9.361 372 HB3 TRP 46 3HB TRP 46 9.164 -6.303 -8.767 373 HD1 TRP 46 HD1 TRP 46 9.570 -5.647 -6.170 374 HE1 TRP 46 HE1 TRP 46 11.513 -6.201 -4.566 375 HE3 TRP 46 HE3 TRP 46 11.643 -9.556 -8.737 376 HZ2 TRP 46 HZ2 TRP 46 13.632 -8.051 -4.420 377 HZ3 TRP 46 HZ3 TRP 46 13.626 -10.664 -7.793 378 HH2 TRP 46 HH2 TRP 46 14.599 -9.924 -5.679 379 H SER 47 H SER 47 8.121 -9.687 -10.275 380 HA SER 47 HA SER 47 8.338 -12.151 -8.765 381 HB2 SER 47 2HB SER 47 8.189 -13.055 -11.224 382 HB3 SER 47 3HB SER 47 6.762 -12.342 -10.470 383 HG SER 47 HG SER 47 8.423 -11.314 -12.490 384 HA PRO 48 HA PRO 48 12.655 -12.831 -9.590 385 HB2 PRO 48 2HB PRO 48 12.782 -15.501 -10.023 386 HB3 PRO 48 3HB PRO 48 12.456 -14.812 -8.428 387 HG2 PRO 48 2HG PRO 48 10.539 -15.939 -10.428 388 HG3 PRO 48 3HG PRO 48 10.589 -16.172 -8.671 389 HD2 PRO 48 2HD PRO 48 8.892 -14.431 -9.881 390 HD3 PRO 48 3HD PRO 48 9.539 -14.172 -8.249 391 H ASP 49 H ASP 49 10.371 -13.043 -11.941 392 HA ASP 49 HA ASP 49 12.393 -13.164 -14.049 393 HB2 ASP 49 2HB ASP 49 11.423 -15.337 -14.192 394 HB3 ASP 49 3HB ASP 49 9.796 -14.704 -13.970 395 H HIS 50 H HIS 50 11.926 -11.860 -15.837 396 HA HIS 50 HA HIS 50 10.447 -9.527 -15.114 397 HB2 HIS 50 2HB HIS 50 11.321 -8.545 -17.157 398 HB3 HIS 50 3HB HIS 50 12.606 -9.379 -16.296 399 HD1 HIS 50 HD1 HIS 50 13.441 -11.662 -17.364 400 HD2 HIS 50 HD2 HIS 50 10.833 -9.435 -19.720 401 HE1 HIS 50 HE1 HIS 50 13.669 -12.589 -19.691 402 HE2 HIS 50 HE2 HIS 50 12.145 -11.176 -21.121 403 H THR 51 H THR 51 8.649 -8.696 -15.948 404 HA THR 51 HA THR 51 6.717 -8.442 -17.080 405 HB THR 51 HB THR 51 7.706 -10.537 -19.022 406 HG1 THR 51 HG1 THR 51 8.407 -7.860 -18.582 407 HG21 THR 51 3HG2 THR 51 5.320 -9.971 -19.220 408 HG22 THR 51 1HG2 THR 51 6.238 -9.373 -20.602 409 HG23 THR 51 2HG2 THR 51 5.738 -8.261 -19.329 410 H LYS 52 H LYS 52 5.676 -9.285 -15.268 411 HA LYS 52 HA LYS 52 4.014 -11.556 -15.895 412 HB2 LYS 52 2HB LYS 52 6.061 -11.637 -13.725 413 HB3 LYS 52 3HB LYS 52 4.480 -12.325 -13.380 414 HG2 LYS 52 2HG LYS 52 4.686 -13.862 -15.212 415 HG3 LYS 52 3HG LYS 52 6.190 -13.103 -15.733 416 HD2 LYS 52 2HD LYS 52 7.338 -13.868 -13.789 417 HD3 LYS 52 3HD LYS 52 5.829 -14.397 -13.037 418 HE2 LYS 52 2HE LYS 52 7.170 -16.261 -13.980 419 HE3 LYS 52 3HE LYS 52 5.557 -16.131 -14.677 420 HZ1 LYS 52 3HZ LYS 52 7.206 -16.538 -16.383 421 HZ2 LYS 52 1HZ LYS 52 8.074 -15.151 -15.927 422 HZ3 LYS 52 2HZ LYS 52 6.524 -15.001 -16.594 423 H MET 53 H MET 53 2.564 -11.855 -13.666 424 HA MET 53 HA MET 53 1.236 -9.313 -13.466 425 HB2 MET 53 2HB MET 53 0.652 -12.082 -12.516 426 HB3 MET 53 3HB MET 53 -0.187 -10.733 -11.760 427 HG2 MET 53 2HG MET 53 -0.145 -11.268 -14.718 428 HG3 MET 53 3HG MET 53 -1.433 -11.777 -13.625 429 HE1 MET 53 3HE MET 53 -3.263 -10.499 -15.096 430 HE2 MET 53 1HE MET 53 -1.985 -10.034 -16.220 431 HE3 MET 53 2HE MET 53 -3.097 -8.816 -15.597 432 H GLY 54 H GLY 54 3.193 -8.311 -12.505 433 HA2 GLY 54 2HA GLY 54 3.377 -8.731 -9.605 434 HA3 GLY 54 3HA GLY 54 4.495 -7.788 -10.586 435 H LYS 55 H LYS 55 2.033 -7.592 -8.393 436 HA LYS 55 HA LYS 55 0.645 -5.311 -9.426 437 HB2 LYS 55 2HB LYS 55 0.691 -6.513 -6.653 438 HB3 LYS 55 3HB LYS 55 -0.384 -5.217 -7.163 439 HG2 LYS 55 2HG LYS 55 -1.337 -6.728 -8.869 440 HG3 LYS 55 3HG LYS 55 -0.316 -8.026 -8.244 441 HD2 LYS 55 2HD LYS 55 -1.400 -7.827 -6.062 442 HD3 LYS 55 3HD LYS 55 -2.410 -6.518 -6.678 443 HE2 LYS 55 2HE LYS 55 -2.396 -9.384 -7.621 444 HE3 LYS 55 3HE LYS 55 -3.654 -8.596 -6.671 445 HZ1 LYS 55 3HZ LYS 55 -3.937 -7.035 -8.584 446 HZ2 LYS 55 1HZ LYS 55 -4.372 -8.643 -8.914 447 HZ3 LYS 55 2HZ LYS 55 -2.899 -8.033 -9.485 448 H GLY 56 H GLY 56 0.987 -3.200 -9.073 449 HA2 GLY 56 2HA GLY 56 2.781 -2.290 -6.990 450 HA3 GLY 56 3HA GLY 56 3.373 -2.065 -8.630 451 H ILE 57 H ILE 57 2.625 -0.064 -6.596 452 HA ILE 57 HA ILE 57 1.102 1.645 -8.317 453 HB ILE 57 HB ILE 57 -0.761 0.424 -7.315 454 HG12 ILE 57 2HG1 ILE 57 -0.512 3.217 -6.172 455 HG13 ILE 57 3HG1 ILE 57 -1.040 2.827 -7.805 456 HG21 ILE 57 1HG2 ILE 57 -1.206 0.508 -4.908 457 HG22 ILE 57 2HG2 ILE 57 0.328 1.340 -4.655 458 HG23 ILE 57 3HG2 ILE 57 0.313 -0.316 -5.262 459 HD11 ILE 57 3HD1 ILE 57 -2.924 3.348 -6.372 460 HD12 ILE 57 1HD1 ILE 57 -2.454 2.064 -5.259 461 HD13 ILE 57 2HD1 ILE 57 -2.981 1.666 -6.895 462 H THR 58 H THR 58 1.549 3.759 -7.931 463 HA THR 58 HA THR 58 3.359 4.301 -5.694 464 HB THR 58 HB THR 58 3.888 6.414 -6.902 465 HG1 THR 58 HG1 THR 58 2.027 5.326 -8.763 466 HG21 THR 58 3HG2 THR 58 5.156 5.357 -8.719 467 HG22 THR 58 1HG2 THR 58 4.214 3.882 -8.506 468 HG23 THR 58 2HG2 THR 58 5.276 4.443 -7.216 469 H LEU 59 H LEU 59 2.643 5.296 -3.960 470 HA LEU 59 HA LEU 59 0.085 6.735 -4.085 471 HB2 LEU 59 2HB LEU 59 1.622 5.688 -1.702 472 HB3 LEU 59 3HB LEU 59 0.063 6.488 -1.631 473 HG LEU 59 HG LEU 59 0.613 3.835 -2.967 474 HD11 LEU 59 1HD1 LEU 59 -0.830 4.479 -0.400 475 HD12 LEU 59 2HD1 LEU 59 0.751 3.706 -0.536 476 HD13 LEU 59 3HD1 LEU 59 -0.690 2.886 -1.137 477 HD21 LEU 59 3HD2 LEU 59 -1.826 3.687 -3.175 478 HD22 LEU 59 1HD2 LEU 59 -1.174 5.057 -4.075 479 HD23 LEU 59 2HD2 LEU 59 -1.974 5.321 -2.527 480 H SER 60 H SER 60 -0.112 8.821 -3.268 481 HA SER 60 HA SER 60 2.301 10.384 -3.416 482 HB2 SER 60 2HB SER 60 -0.478 11.323 -2.687 483 HB3 SER 60 3HB SER 60 0.850 12.292 -3.329 484 HG SER 60 HG SER 60 -0.828 10.452 -4.626 485 H ASN 61 H ASN 61 2.860 11.969 -1.771 486 HA ASN 61 HA ASN 61 3.530 10.821 0.644 487 HB2 ASN 61 2HB ASN 61 4.654 12.783 -0.210 488 HB3 ASN 61 3HB ASN 61 3.187 13.740 -0.059 489 HD21 ASN 61 1HD2 ASN 61 4.220 15.247 1.218 490 HD22 ASN 61 2HD2 ASN 61 4.624 14.927 2.874 491 H GLU 62 H GLU 62 0.845 13.119 0.079 492 HA GLU 62 HA GLU 62 0.001 13.157 2.774 493 HB2 GLU 62 2HB GLU 62 -2.054 14.214 1.930 494 HB3 GLU 62 3HB GLU 62 -0.605 14.940 1.251 495 HG2 GLU 62 2HG GLU 62 -0.955 13.564 -0.795 496 HG3 GLU 62 3HG GLU 62 -2.492 13.033 -0.109 497 H GLU 63 H GLU 63 -1.012 11.175 0.030 498 HA GLU 63 HA GLU 63 -3.202 9.910 1.266 499 HB2 GLU 63 2HB GLU 63 -1.364 8.670 -0.785 500 HB3 GLU 63 3HB GLU 63 -3.043 8.255 -0.475 501 HG2 GLU 63 2HG GLU 63 -3.728 10.463 -1.287 502 HG3 GLU 63 3HG GLU 63 -2.040 10.847 -1.627 503 H PHE 64 H PHE 64 0.207 9.155 1.083 504 HA PHE 64 HA PHE 64 0.112 6.627 2.322 505 HB2 PHE 64 2HB PHE 64 1.969 7.915 0.928 506 HB3 PHE 64 3HB PHE 64 2.522 8.374 2.533 507 HD1 PHE 64 HD1 PHE 64 1.777 5.492 0.356 508 HD2 PHE 64 HD2 PHE 64 3.750 6.883 3.858 509 HE1 PHE 64 HE1 PHE 64 2.966 3.349 0.528 510 HE2 PHE 64 HE2 PHE 64 4.941 4.738 4.042 511 HZ PHE 64 HZ PHE 64 4.551 2.971 2.373 512 H GLN 65 H GLN 65 0.837 9.882 3.572 513 HA GLN 65 HA GLN 65 1.386 9.133 6.221 514 HB2 GLN 65 2HB GLN 65 1.636 11.430 4.944 515 HB3 GLN 65 3HB GLN 65 0.039 11.739 5.608 516 HG2 GLN 65 2HG GLN 65 2.400 10.952 7.293 517 HG3 GLN 65 3HG GLN 65 1.976 12.624 6.937 518 HE21 GLN 65 1HE2 GLN 65 2.094 11.122 9.470 519 HE22 GLN 65 2HE2 GLN 65 0.534 11.314 10.193 520 H THR 66 H THR 66 -1.625 9.913 4.574 521 HA THR 66 HA THR 66 -3.385 9.993 6.714 522 HB THR 66 HB THR 66 -3.913 8.887 3.942 523 HG1 THR 66 HG1 THR 66 -3.173 11.021 3.836 524 HG21 THR 66 3HG2 THR 66 -6.253 9.513 4.376 525 HG22 THR 66 1HG2 THR 66 -5.820 9.955 6.027 526 HG23 THR 66 2HG2 THR 66 -5.688 8.277 5.499 527 H MET 67 H MET 67 -2.343 7.153 4.806 528 HA MET 67 HA MET 67 -3.977 5.341 6.279 529 HB2 MET 67 2HB MET 67 -3.071 3.622 4.999 530 HB3 MET 67 3HB MET 67 -2.953 5.012 3.930 531 HG2 MET 67 2HG MET 67 -0.612 5.256 4.416 532 HG3 MET 67 3HG MET 67 -0.696 3.971 5.621 533 HE1 MET 67 3HE MET 67 1.547 3.825 3.555 534 HE2 MET 67 1HE MET 67 1.421 2.165 2.969 535 HE3 MET 67 2HE MET 67 1.198 2.513 4.683 536 H VAL 68 H VAL 68 -0.706 6.517 6.674 537 HA VAL 68 HA VAL 68 0.300 4.536 8.375 538 HB VAL 68 HB VAL 68 0.977 7.467 8.180 539 HG11 VAL 68 1HG1 VAL 68 1.556 6.699 10.425 540 HG12 VAL 68 2HG1 VAL 68 3.011 6.954 9.459 541 HG13 VAL 68 3HG1 VAL 68 2.416 5.320 9.741 542 HG21 VAL 68 3HG2 VAL 68 2.305 4.955 7.173 543 HG22 VAL 68 1HG2 VAL 68 3.007 6.569 7.071 544 HG23 VAL 68 2HG2 VAL 68 1.515 6.200 6.205 545 H ASP 69 H ASP 69 -1.245 7.643 9.237 546 HA ASP 69 HA ASP 69 -1.182 7.152 12.022 547 HB2 ASP 69 2HB ASP 69 -1.458 9.412 11.144 548 HB3 ASP 69 3HB ASP 69 -3.002 8.966 10.426 549 H ALA 70 H ALA 70 -3.588 6.514 9.521 550 HA ALA 70 HA ALA 70 -5.706 5.709 11.144 551 HB1 ALA 70 3HB ALA 70 -6.529 4.492 9.202 552 HB2 ALA 70 1HB ALA 70 -4.952 4.644 8.429 553 HB3 ALA 70 2HB ALA 70 -5.923 6.083 8.741 554 H PHE 71 H PHE 71 -3.090 3.728 9.728 555 HA PHE 71 HA PHE 71 -4.032 1.359 11.073 556 HB2 PHE 71 2HB PHE 71 -1.504 1.841 9.488 557 HB3 PHE 71 3HB PHE 71 -2.051 0.271 10.068 558 HD1 PHE 71 HD2 PHE 71 -4.877 0.270 9.520 559 HD2 PHE 71 HD1 PHE 71 -1.683 1.836 7.190 560 HE1 PHE 71 HE2 PHE 71 -6.236 0.001 7.488 561 HE2 PHE 71 HE1 PHE 71 -3.036 1.573 5.154 562 HZ PHE 71 HZ PHE 71 -5.312 0.656 5.300 563 H LYS 72 H LYS 72 -2.009 3.948 11.902 564 HA LYS 72 HA LYS 72 -0.502 2.538 13.905 565 HB2 LYS 72 2HB LYS 72 0.481 4.506 12.956 566 HB3 LYS 72 3HB LYS 72 -0.945 5.467 13.319 567 HG2 LYS 72 2HG LYS 72 -0.469 5.452 15.635 568 HG3 LYS 72 3HG LYS 72 0.794 4.232 15.430 569 HD2 LYS 72 2HD LYS 72 2.235 5.751 14.370 570 HD3 LYS 72 3HD LYS 72 0.932 6.901 14.069 571 HE2 LYS 72 2HE LYS 72 1.714 6.159 16.863 572 HE3 LYS 72 3HE LYS 72 2.610 7.388 15.971 573 HZ1 LYS 72 3HZ LYS 72 -0.335 7.510 16.264 574 HZ2 LYS 72 1HZ LYS 72 0.737 8.744 15.808 575 HZ3 LYS 72 2HZ LYS 72 0.713 8.191 17.414 576 H GLY 73 H GLY 73 -3.614 3.889 13.624 577 HA2 GLY 73 2HA GLY 73 -4.030 3.514 16.532 578 HA3 GLY 73 3HA GLY 73 -4.888 4.726 15.591 579 H ASN 74 H ASN 74 -4.349 1.692 14.080 580 HA ASN 74 HA ASN 74 -6.854 0.510 14.914 581 HB2 ASN 74 2HB ASN 74 -7.608 2.158 13.228 582 HB3 ASN 74 3HB ASN 74 -6.490 1.474 12.058 583 HD21 ASN 74 1HD2 ASN 74 -7.025 -0.410 11.003 584 HD22 ASN 74 2HD2 ASN 74 -8.585 -1.146 11.126 585 H LEU 75 H LEU 75 -7.131 -1.652 13.898 586 HA LEU 75 HA LEU 75 -6.425 -3.630 13.001 587 HB2 LEU 75 2HB LEU 75 -5.507 -2.625 11.076 588 HB3 LEU 75 3HB LEU 75 -4.190 -1.904 11.976 589 HG LEU 75 HG LEU 75 -3.265 -4.195 12.340 590 HD11 LEU 75 1HD1 LEU 75 -4.056 -5.993 10.897 591 HD12 LEU 75 2HD1 LEU 75 -5.383 -4.971 10.350 592 HD13 LEU 75 3HD1 LEU 75 -5.301 -5.478 12.036 593 HD21 LEU 75 3HD2 LEU 75 -2.393 -4.413 10.072 594 HD22 LEU 75 1HD2 LEU 75 -2.408 -2.735 10.615 595 HD23 LEU 75 2HD2 LEU 75 -3.639 -3.309 9.489 596 H GLU 76 H GLU 76 -3.532 -1.945 14.220 597 HA GLU 76 HA GLU 76 -2.495 -4.221 15.552 598 HB2 GLU 76 2HB GLU 76 -1.046 -2.368 14.933 599 HB3 GLU 76 3HB GLU 76 -1.966 -1.266 15.950 600 HG2 GLU 76 2HG GLU 76 -1.287 -2.812 17.886 601 HG3 GLU 76 3HG GLU 76 -0.092 -3.461 16.764 602 H HIS 77 H HIS 77 -3.898 -5.173 17.006 603 HA HIS 77 HA HIS 77 -5.163 -3.520 19.008 604 HB2 HIS 77 2HB HIS 77 -6.188 -5.520 19.890 605 HB3 HIS 77 3HB HIS 77 -6.361 -5.507 18.147 606 HD1 HIS 77 HD1 HIS 77 -5.958 -7.836 20.634 607 HD2 HIS 77 HD2 HIS 77 -3.859 -7.144 17.109 608 HE1 HIS 77 HE1 HIS 77 -4.812 -10.010 20.083 609 HE2 HIS 77 HE2 HIS 77 -3.695 -9.616 17.861 610 H HIS 78 H HIS 78 -3.457 -2.543 19.963 611 HA HIS 78 HA HIS 78 -1.218 -4.054 20.927 612 HB2 HIS 78 2HB HIS 78 -0.624 -1.722 21.967 613 HB3 HIS 78 3HB HIS 78 -0.481 -1.992 20.236 614 HD1 HIS 78 HD1 HIS 78 -1.443 -0.198 18.863 615 HD2 HIS 78 HD2 HIS 78 -3.306 -0.457 22.582 616 HE1 HIS 78 HE1 HIS 78 -3.130 1.668 18.916 617 HE2 HIS 78 HE2 HIS 78 -4.367 1.374 21.090 618 H HIS 79 H HIS 79 -2.728 -5.404 22.186 619 HA HIS 79 HA HIS 79 -2.709 -4.402 24.956 620 HB2 HIS 79 2HB HIS 79 -5.006 -4.849 24.037 621 HB3 HIS 79 3HB HIS 79 -4.541 -6.531 23.818 622 HD1 HIS 79 HD1 HIS 79 -5.650 -7.867 25.567 623 HD2 HIS 79 HD2 HIS 79 -4.304 -4.216 27.038 624 HE1 HIS 79 HE1 HIS 79 -6.169 -7.891 28.032 625 HE2 HIS 79 HE2 HIS 79 -5.456 -5.625 28.877 626 H HIS 80 H HIS 80 -1.081 -6.151 22.834 627 HA HIS 80 HA HIS 80 -0.558 -8.536 24.386 628 HB2 HIS 80 2HB HIS 80 0.297 -7.488 21.729 629 HB3 HIS 80 3HB HIS 80 1.371 -8.623 22.537 630 HD1 HIS 80 HD1 HIS 80 -0.812 -8.816 19.942 631 HD2 HIS 80 HD2 HIS 80 -0.691 -10.831 23.583 632 HE1 HIS 80 HE1 HIS 80 -2.090 -10.954 19.584 633 HE2 HIS 80 HE2 HIS 80 -1.833 -12.234 21.739 634 H HIS 81 H HIS 81 1.272 -8.956 25.553 635 HA HIS 81 HA HIS 81 2.932 -6.619 26.178 636 HB2 HIS 81 2HB HIS 81 1.692 -7.890 28.010 637 HB3 HIS 81 3HB HIS 81 2.819 -9.211 27.722 638 HD1 HIS 81 HD1 HIS 81 5.256 -8.905 28.544 639 HD2 HIS 81 HD2 HIS 81 2.768 -5.652 29.300 640 HE1 HIS 81 HE1 HIS 81 6.510 -7.441 30.164 641 HE2 HIS 81 HE2 HIS 81 4.954 -5.525 30.673 642 H HIS 82 H HIS 82 4.886 -6.514 25.328 643 HA HIS 82 HA HIS 82 6.158 -9.013 24.412 644 HB2 HIS 82 2HB HIS 82 5.472 -7.379 22.630 645 HB3 HIS 82 3HB HIS 82 6.607 -6.226 23.324 646 HD1 HIS 82 HD1 HIS 82 9.040 -6.462 22.690 647 HD2 HIS 82 HD2 HIS 82 6.695 -9.639 21.379 648 HE1 HIS 82 HE1 HIS 82 10.503 -7.790 21.128 649 HE2 HIS 82 HE2 HIS 82 9.032 -9.651 20.268 650 H1 MET 1 1H MET 1 -17.971 -28.000 -3.024 651 H2 MET 1 2H MET 1 -18.553 -27.039 -4.296 652 H3 MET 1 3H MET 1 -17.167 -27.985 -4.516 653 HA MET 1 HA MET 1 -18.491 -29.995 -4.199 654 HB2 MET 1 2HB MET 1 -20.781 -28.015 -4.252 655 HB3 MET 1 3HB MET 1 -20.958 -29.763 -4.348 656 HG2 MET 1 2HG MET 1 -20.041 -30.005 -2.122 657 HG3 MET 1 3HG MET 1 -19.769 -28.266 -2.026 658 HE1 MET 1 3HE MET 1 -22.686 -28.759 0.507 659 HE2 MET 1 1HE MET 1 -21.069 -28.104 0.242 660 HE3 MET 1 2HE MET 1 -21.332 -29.848 0.212 661 H LYS 2 H LYS 2 -19.731 -27.201 -6.052 662 HA LYS 2 HA LYS 2 -19.071 -28.717 -8.489 663 HB2 LYS 2 2HB LYS 2 -21.436 -26.906 -8.004 664 HB3 LYS 2 3HB LYS 2 -20.935 -27.430 -9.609 665 HG2 LYS 2 2HG LYS 2 -21.170 -29.797 -8.789 666 HG3 LYS 2 3HG LYS 2 -21.933 -29.134 -7.344 667 HD2 LYS 2 2HD LYS 2 -23.708 -28.178 -8.652 668 HD3 LYS 2 3HD LYS 2 -22.901 -28.634 -10.154 669 HE2 LYS 2 2HE LYS 2 -23.133 -31.001 -9.536 670 HE3 LYS 2 3HE LYS 2 -23.983 -30.524 -8.067 671 HZ1 LYS 2 3HZ LYS 2 -25.503 -31.182 -9.852 672 HZ2 LYS 2 1HZ LYS 2 -24.900 -29.934 -10.831 673 HZ3 LYS 2 2HZ LYS 2 -25.728 -29.563 -9.401 674 H LYS 3 H LYS 3 -19.059 -27.055 -10.435 675 HA LYS 3 HA LYS 3 -16.880 -25.277 -9.693 676 HB2 LYS 3 2HB LYS 3 -17.852 -26.218 -12.391 677 HB3 LYS 3 3HB LYS 3 -16.455 -25.178 -12.134 678 HG2 LYS 3 2HG LYS 3 -15.341 -26.930 -10.895 679 HG3 LYS 3 3HG LYS 3 -16.759 -27.969 -11.046 680 HD2 LYS 3 2HD LYS 3 -16.497 -28.020 -13.456 681 HD3 LYS 3 3HD LYS 3 -15.130 -26.909 -13.351 682 HE2 LYS 3 2HE LYS 3 -15.264 -29.684 -12.187 683 HE3 LYS 3 3HE LYS 3 -14.365 -29.203 -13.626 684 HZ1 LYS 3 3HZ LYS 3 -12.844 -29.283 -11.830 685 HZ2 LYS 3 1HZ LYS 3 -13.859 -28.368 -10.822 686 HZ3 LYS 3 2HZ LYS 3 -13.115 -27.644 -12.160 687 H MET 4 H MET 4 -16.680 -23.173 -10.636 688 HA MET 4 HA MET 4 -19.263 -21.827 -11.053 689 HB2 MET 4 2HB MET 4 -16.610 -20.679 -10.145 690 HB3 MET 4 3HB MET 4 -18.081 -19.749 -10.398 691 HG2 MET 4 2HG MET 4 -17.687 -21.925 -8.355 692 HG3 MET 4 3HG MET 4 -17.705 -20.191 -8.043 693 HE1 MET 4 3HE MET 4 -19.553 -20.496 -6.162 694 HE2 MET 4 1HE MET 4 -19.497 -22.236 -6.438 695 HE3 MET 4 2HE MET 4 -21.049 -21.396 -6.404 696 H ALA 5 H ALA 5 -18.732 -19.643 -12.385 697 HA ALA 5 HA ALA 5 -17.609 -20.612 -14.908 698 HB1 ALA 5 3HB ALA 5 -19.202 -18.109 -14.334 699 HB2 ALA 5 1HB ALA 5 -19.864 -19.630 -14.934 700 HB3 ALA 5 2HB ALA 5 -18.733 -18.709 -15.927 701 H GLU 6 H GLU 6 -17.558 -17.602 -13.014 702 HA GLU 6 HA GLU 6 -14.821 -17.107 -13.992 703 HB2 GLU 6 2HB GLU 6 -16.919 -15.145 -13.031 704 HB3 GLU 6 3HB GLU 6 -15.279 -14.717 -13.495 705 HG2 GLU 6 2HG GLU 6 -17.370 -15.908 -15.304 706 HG3 GLU 6 3HG GLU 6 -16.850 -14.224 -15.277 707 H PHE 7 H PHE 7 -13.763 -15.426 -12.301 708 HA PHE 7 HA PHE 7 -13.871 -16.760 -9.718 709 HB2 PHE 7 2HB PHE 7 -11.832 -15.546 -9.164 710 HB3 PHE 7 3HB PHE 7 -11.644 -16.347 -10.713 711 HD1 PHE 7 HD2 PHE 7 -12.034 -14.875 -12.822 712 HD2 PHE 7 HD1 PHE 7 -11.309 -13.322 -8.927 713 HE1 PHE 7 HE2 PHE 7 -11.318 -12.741 -13.811 714 HE2 PHE 7 HE1 PHE 7 -10.588 -11.183 -9.909 715 HZ PHE 7 HZ PHE 7 -10.592 -10.893 -12.356 716 H THR 8 H THR 8 -15.450 -16.075 -8.449 717 HA THR 8 HA THR 8 -16.607 -13.488 -8.644 718 HB THR 8 HB THR 8 -16.933 -15.503 -6.413 719 HG1 THR 8 HG1 THR 8 -18.965 -15.770 -7.959 720 HG21 THR 8 3HG2 THR 8 -18.732 -13.283 -7.401 721 HG22 THR 8 1HG2 THR 8 -17.831 -13.295 -5.885 722 HG23 THR 8 2HG2 THR 8 -19.141 -14.448 -6.142 723 H PHE 9 H PHE 9 -15.773 -11.678 -7.862 724 HA PHE 9 HA PHE 9 -14.075 -11.821 -5.460 725 HB2 PHE 9 2HB PHE 9 -13.032 -9.728 -6.231 726 HB3 PHE 9 3HB PHE 9 -12.868 -10.998 -7.437 727 HD1 PHE 9 HD2 PHE 9 -14.253 -10.931 -9.490 728 HD2 PHE 9 HD1 PHE 9 -14.222 -7.728 -6.688 729 HE1 PHE 9 HE2 PHE 9 -15.235 -9.438 -11.184 730 HE2 PHE 9 HE1 PHE 9 -15.200 -6.233 -8.376 731 HZ PHE 9 HZ PHE 9 -15.707 -7.087 -10.629 732 H GLU 10 H GLU 10 -14.429 -10.272 -3.798 733 HA GLU 10 HA GLU 10 -16.750 -8.534 -4.097 734 HB2 GLU 10 2HB GLU 10 -17.603 -10.733 -3.294 735 HB3 GLU 10 3HB GLU 10 -16.580 -10.574 -1.874 736 HG2 GLU 10 2HG GLU 10 -17.843 -8.819 -1.013 737 HG3 GLU 10 3HG GLU 10 -18.604 -8.484 -2.570 738 H ILE 11 H ILE 11 -16.454 -6.653 -3.121 739 HA ILE 11 HA ILE 11 -14.210 -6.319 -1.300 740 HB ILE 11 HB ILE 11 -16.150 -4.252 -2.366 741 HG12 ILE 11 2HG1 ILE 11 -13.974 -3.457 -3.526 742 HG13 ILE 11 3HG1 ILE 11 -13.378 -5.077 -3.193 743 HG21 ILE 11 1HG2 ILE 11 -14.619 -2.587 -1.448 744 HG22 ILE 11 2HG2 ILE 11 -13.629 -3.872 -0.760 745 HG23 ILE 11 3HG2 ILE 11 -15.276 -3.624 -0.182 746 HD11 ILE 11 3HD1 ILE 11 -15.814 -4.395 -4.817 747 HD12 ILE 11 1HD1 ILE 11 -15.213 -6.020 -4.487 748 HD13 ILE 11 2HD1 ILE 11 -14.247 -4.899 -5.448 749 H GLU 12 H GLU 12 -14.670 -7.112 0.648 750 HA GLU 12 HA GLU 12 -17.347 -7.157 1.667 751 HB2 GLU 12 2HB GLU 12 -14.783 -7.865 3.099 752 HB3 GLU 12 3HB GLU 12 -16.411 -8.361 3.541 753 HG2 GLU 12 2HG GLU 12 -16.554 -9.614 1.408 754 HG3 GLU 12 3HG GLU 12 -14.876 -9.191 1.090 755 H GLU 13 H GLU 13 -14.325 -5.730 2.890 756 HA GLU 13 HA GLU 13 -15.923 -3.610 4.140 757 HB2 GLU 13 2HB GLU 13 -15.487 -5.071 5.965 758 HB3 GLU 13 3HB GLU 13 -13.831 -5.341 5.450 759 HG2 GLU 13 2HG GLU 13 -13.749 -3.951 7.357 760 HG3 GLU 13 3HG GLU 13 -13.363 -2.941 5.966 761 H HIS 14 H HIS 14 -15.210 -1.668 3.527 762 HA HIS 14 HA HIS 14 -12.448 -1.419 2.611 763 HB2 HIS 14 2HB HIS 14 -13.039 0.787 1.786 764 HB3 HIS 14 3HB HIS 14 -14.206 -0.390 1.212 765 HD1 HIS 14 HD1 HIS 14 -16.624 -0.249 2.243 766 HD2 HIS 14 HD2 HIS 14 -14.061 2.848 3.305 767 HE1 HIS 14 HE1 HIS 14 -18.100 1.567 3.153 768 HE2 HIS 14 HE2 HIS 14 -16.549 3.507 3.573 769 H LEU 15 H LEU 15 -10.887 -0.567 3.803 770 HA LEU 15 HA LEU 15 -11.362 -0.205 6.586 771 HB2 LEU 15 2HB LEU 15 -8.876 0.399 4.981 772 HB3 LEU 15 3HB LEU 15 -8.963 0.225 6.723 773 HG LEU 15 HG LEU 15 -9.550 -1.989 4.757 774 HD11 LEU 15 1HD1 LEU 15 -7.076 -1.399 6.374 775 HD12 LEU 15 2HD1 LEU 15 -7.227 -1.379 4.616 776 HD13 LEU 15 3HD1 LEU 15 -7.381 -2.896 5.497 777 HD21 LEU 15 3HD2 LEU 15 -10.709 -2.263 6.873 778 HD22 LEU 15 1HD2 LEU 15 -9.207 -1.994 7.756 779 HD23 LEU 15 2HD2 LEU 15 -9.391 -3.427 6.745 780 H LEU 16 H LEU 16 -9.775 2.005 4.299 781 HA LEU 16 HA LEU 16 -11.419 4.209 5.161 782 HB2 LEU 16 2HB LEU 16 -9.616 5.618 5.949 783 HB3 LEU 16 3HB LEU 16 -9.710 4.169 6.928 784 HG LEU 16 HG LEU 16 -7.816 3.980 4.690 785 HD11 LEU 16 1HD1 LEU 16 -7.505 6.334 5.270 786 HD12 LEU 16 2HD1 LEU 16 -6.116 5.365 5.769 787 HD13 LEU 16 3HD1 LEU 16 -7.301 5.894 6.966 788 HD21 LEU 16 3HD2 LEU 16 -7.579 3.485 7.657 789 HD22 LEU 16 1HD2 LEU 16 -6.420 2.995 6.421 790 HD23 LEU 16 2HD2 LEU 16 -8.032 2.282 6.448 791 H THR 17 H THR 17 -11.228 6.016 3.818 792 HA THR 17 HA THR 17 -10.081 5.481 1.208 793 HB THR 17 HB THR 17 -11.576 7.942 2.133 794 HG1 THR 17 HG1 THR 17 -12.515 5.405 1.250 795 HG21 THR 17 3HG2 THR 17 -11.164 6.758 -0.616 796 HG22 THR 17 1HG2 THR 17 -10.361 8.193 0.023 797 HG23 THR 17 2HG2 THR 17 -12.104 8.203 -0.244 798 H LEU 18 H LEU 18 -8.136 6.265 0.582 799 HA LEU 18 HA LEU 18 -6.559 7.738 2.483 800 HB2 LEU 18 2HB LEU 18 -5.899 6.964 -0.361 801 HB3 LEU 18 3HB LEU 18 -4.762 7.555 0.834 802 HG LEU 18 HG LEU 18 -6.238 4.925 0.910 803 HD11 LEU 18 1HD1 LEU 18 -3.313 5.577 0.596 804 HD12 LEU 18 2HD1 LEU 18 -4.388 4.981 -0.670 805 HD13 LEU 18 3HD1 LEU 18 -4.006 3.960 0.715 806 HD21 LEU 18 3HD2 LEU 18 -6.001 5.889 3.156 807 HD22 LEU 18 1HD2 LEU 18 -4.265 6.060 2.890 808 HD23 LEU 18 2HD2 LEU 18 -4.999 4.456 2.939 809 H SER 19 H SER 19 -7.593 8.346 -0.863 810 HA SER 19 HA SER 19 -8.246 11.055 -0.355 811 HB2 SER 19 2HB SER 19 -5.704 11.130 -0.356 812 HB3 SER 19 3HB SER 19 -5.773 10.668 -2.058 813 HG SER 19 HG SER 19 -6.162 13.092 -0.905 814 H GLU 20 H GLU 20 -8.348 12.195 -2.697 815 HA GLU 20 HA GLU 20 -9.469 10.223 -4.576 816 HB2 GLU 20 2HB GLU 20 -11.062 11.745 -3.050 817 HB3 GLU 20 3HB GLU 20 -10.753 12.903 -4.332 818 HG2 GLU 20 2HG GLU 20 -11.689 10.137 -4.962 819 HG3 GLU 20 3HG GLU 20 -12.823 11.392 -4.472 820 H ASN 21 H ASN 21 -8.309 10.335 -6.392 821 HA ASN 21 HA ASN 21 -6.605 12.692 -6.771 822 HB2 ASN 21 2HB ASN 21 -6.412 9.873 -7.842 823 HB3 ASN 21 3HB ASN 21 -5.349 11.173 -8.356 824 HD21 ASN 21 1HD2 ASN 21 -6.459 10.864 -5.056 825 HD22 ASN 21 2HD2 ASN 21 -4.934 10.380 -4.388 826 H GLU 22 H GLU 22 -6.744 13.997 -8.477 827 HA GLU 22 HA GLU 22 -7.272 14.855 -10.500 828 HB2 GLU 22 2HB GLU 22 -7.612 11.934 -11.193 829 HB3 GLU 22 3HB GLU 22 -7.621 13.236 -12.375 830 HG2 GLU 22 2HG GLU 22 -5.380 13.601 -12.207 831 HG3 GLU 22 3HG GLU 22 -5.312 13.087 -10.524 832 H LYS 23 H LYS 23 -9.418 13.908 -8.446 833 HA LYS 23 HA LYS 23 -11.652 14.048 -8.156 834 HB2 LYS 23 2HB LYS 23 -11.445 15.840 -10.587 835 HB3 LYS 23 3HB LYS 23 -12.859 15.717 -9.546 836 HG2 LYS 23 2HG LYS 23 -11.651 16.603 -7.684 837 HG3 LYS 23 3HG LYS 23 -10.134 16.541 -8.578 838 HD2 LYS 23 2HD LYS 23 -10.841 18.804 -8.578 839 HD3 LYS 23 3HD LYS 23 -11.136 18.179 -10.197 840 HE2 LYS 23 2HE LYS 23 -13.310 18.155 -8.140 841 HE3 LYS 23 3HE LYS 23 -12.945 19.628 -9.032 842 HZ1 LYS 23 3HZ LYS 23 -13.868 17.033 -10.130 843 HZ2 LYS 23 1HZ LYS 23 -13.253 18.281 -11.102 844 HZ3 LYS 23 2HZ LYS 23 -14.657 18.530 -10.191 845 H GLY 24 H GLY 24 -11.586 11.745 -8.731 846 HA2 GLY 24 2HA GLY 24 -13.710 10.834 -10.134 847 HA3 GLY 24 3HA GLY 24 -12.480 10.988 -11.382 848 H TRP 25 H TRP 25 -10.278 10.323 -9.605 849 HA TRP 25 HA TRP 25 -10.745 7.418 -9.498 850 HB2 TRP 25 2HB TRP 25 -8.240 9.021 -10.013 851 HB3 TRP 25 3HB TRP 25 -8.206 7.297 -9.658 852 HD1 TRP 25 HD1 TRP 25 -10.423 9.353 -12.114 853 HE1 TRP 25 HE1 TRP 25 -10.322 8.209 -14.414 854 HE3 TRP 25 HE3 TRP 25 -7.140 5.594 -10.996 855 HZ2 TRP 25 HZ2 TRP 25 -9.000 6.008 -15.605 856 HZ3 TRP 25 HZ3 TRP 25 -6.508 4.013 -12.774 857 HH2 TRP 25 HH2 TRP 25 -7.421 4.219 -15.029 858 H THR 26 H THR 26 -11.237 6.885 -7.467 859 HA THR 26 HA THR 26 -10.118 8.405 -5.259 860 HB THR 26 HB THR 26 -12.019 6.062 -5.113 861 HG1 THR 26 HG1 THR 26 -12.442 8.446 -6.212 862 HG21 THR 26 3HG2 THR 26 -10.953 6.701 -2.992 863 HG22 THR 26 1HG2 THR 26 -12.678 7.069 -2.983 864 HG23 THR 26 2HG2 THR 26 -11.503 8.363 -3.220 865 H LYS 27 H LYS 27 -8.693 7.661 -3.778 866 HA LYS 27 HA LYS 27 -7.398 5.074 -4.352 867 HB2 LYS 27 2HB LYS 27 -6.170 7.403 -4.332 868 HB3 LYS 27 3HB LYS 27 -6.246 7.219 -2.586 869 HG2 LYS 27 2HG LYS 27 -4.147 6.407 -3.148 870 HG3 LYS 27 3HG LYS 27 -5.122 4.946 -2.974 871 HD2 LYS 27 2HD LYS 27 -3.662 4.899 -4.967 872 HD3 LYS 27 3HD LYS 27 -5.376 4.770 -5.360 873 HE2 LYS 27 2HE LYS 27 -4.223 6.271 -6.905 874 HE3 LYS 27 3HE LYS 27 -5.432 7.133 -5.957 875 HZ1 LYS 27 3HZ LYS 27 -3.686 8.004 -4.545 876 HZ2 LYS 27 1HZ LYS 27 -3.366 8.381 -6.165 877 HZ3 LYS 27 2HZ LYS 27 -2.512 7.134 -5.406 878 H GLU 28 H GLU 28 -7.968 3.469 -2.955 879 HA GLU 28 HA GLU 28 -8.398 4.147 -0.147 880 HB2 GLU 28 2HB GLU 28 -10.600 4.395 -1.171 881 HB3 GLU 28 3HB GLU 28 -10.481 2.784 -1.860 882 HG2 GLU 28 2HG GLU 28 -10.517 1.798 0.341 883 HG3 GLU 28 3HG GLU 28 -10.516 3.396 1.084 884 H ILE 29 H ILE 29 -8.310 2.379 1.280 885 HA ILE 29 HA ILE 29 -7.163 -0.076 0.126 886 HB ILE 29 HB ILE 29 -6.965 0.886 2.988 887 HG12 ILE 29 2HG1 ILE 29 -4.894 1.000 0.782 888 HG13 ILE 29 3HG1 ILE 29 -5.778 2.386 1.411 889 HG21 ILE 29 1HG2 ILE 29 -5.274 -0.844 3.225 890 HG22 ILE 29 2HG2 ILE 29 -5.477 -1.299 1.534 891 HG23 ILE 29 3HG2 ILE 29 -6.794 -1.550 2.679 892 HD11 ILE 29 3HD1 ILE 29 -4.731 2.095 3.577 893 HD12 ILE 29 1HD1 ILE 29 -3.516 2.245 2.309 894 HD13 ILE 29 2HD1 ILE 29 -3.887 0.660 2.994 895 H ASN 30 H ASN 30 -8.568 -1.716 0.016 896 HA ASN 30 HA ASN 30 -10.578 -1.995 2.135 897 HB2 ASN 30 2HB ASN 30 -12.278 -2.570 0.340 898 HB3 ASN 30 3HB ASN 30 -11.839 -0.873 0.472 899 HD21 ASN 30 1HD2 ASN 30 -10.676 0.095 -1.171 900 HD22 ASN 30 2HD2 ASN 30 -10.460 -0.640 -2.718 901 H ARG 31 H ARG 31 -11.548 -4.146 2.238 902 HA ARG 31 HA ARG 31 -9.534 -6.141 1.558 903 HB2 ARG 31 2HB ARG 31 -12.001 -6.384 3.291 904 HB3 ARG 31 3HB ARG 31 -10.789 -7.636 3.064 905 HG2 ARG 31 2HG ARG 31 -9.117 -5.922 3.953 906 HG3 ARG 31 3HG ARG 31 -10.533 -5.021 4.496 907 HD2 ARG 31 2HD ARG 31 -9.797 -7.844 5.256 908 HD3 ARG 31 3HD ARG 31 -9.680 -6.421 6.284 909 HE ARG 31 HE ARG 31 -12.262 -7.418 5.269 910 HH11 ARG 31 1HH1 ARG 31 -10.228 -6.261 7.861 911 HH12 ARG 31 2HH1 ARG 31 -11.485 -6.325 9.054 912 HH21 ARG 31 1HH2 ARG 31 -13.926 -7.526 6.827 913 HH22 ARG 31 2HH2 ARG 31 -13.600 -7.020 8.466 914 H VAL 32 H VAL 32 -9.725 -7.549 -0.025 915 HA VAL 32 HA VAL 32 -12.381 -7.938 -1.258 916 HB VAL 32 HB VAL 32 -9.723 -7.984 -2.708 917 HG11 VAL 32 1HG1 VAL 32 -11.076 -8.023 -4.740 918 HG12 VAL 32 2HG1 VAL 32 -12.548 -8.043 -3.768 919 HG13 VAL 32 3HG1 VAL 32 -11.437 -9.412 -3.710 920 HG21 VAL 32 3HG2 VAL 32 -10.466 -5.869 -3.749 921 HG22 VAL 32 1HG2 VAL 32 -10.187 -5.722 -2.012 922 HG23 VAL 32 2HG2 VAL 32 -11.831 -5.832 -2.634 923 H SER 33 H SER 33 -13.048 -9.985 -1.474 924 HA SER 33 HA SER 33 -11.116 -12.136 -0.932 925 HB2 SER 33 2HB SER 33 -13.234 -13.475 -0.427 926 HB3 SER 33 3HB SER 33 -12.817 -12.199 0.717 927 HG SER 33 HG SER 33 -14.836 -11.674 0.357 928 H PHE 34 H PHE 34 -11.135 -14.001 -2.228 929 HA PHE 34 HA PHE 34 -12.485 -13.669 -4.825 930 HB2 PHE 34 2HB PHE 34 -9.714 -14.767 -4.291 931 HB3 PHE 34 3HB PHE 34 -10.525 -14.819 -5.852 932 HD1 PHE 34 HD2 PHE 34 -10.954 -12.737 -7.092 933 HD2 PHE 34 HD1 PHE 34 -8.691 -12.769 -3.488 934 HE1 PHE 34 HE2 PHE 34 -10.062 -10.506 -7.635 935 HE2 PHE 34 HE1 PHE 34 -7.800 -10.539 -4.021 936 HZ PHE 34 HZ PHE 34 -8.486 -9.405 -6.098 937 H ASN 35 H ASN 35 -14.011 -15.093 -4.978 938 HA ASN 35 HA ASN 35 -15.308 -16.919 -4.727 939 HB2 ASN 35 2HB ASN 35 -14.460 -18.973 -5.592 940 HB3 ASN 35 3HB ASN 35 -13.722 -17.665 -6.496 941 HD21 ASN 35 1HD2 ASN 35 -11.524 -17.387 -6.410 942 HD22 ASN 35 2HD2 ASN 35 -10.456 -18.520 -5.660 943 H GLY 36 H GLY 36 -13.981 -15.951 -2.282 944 HA2 GLY 36 2HA GLY 36 -14.917 -16.968 -0.187 945 HA3 GLY 36 3HA GLY 36 -14.091 -18.436 -0.694 946 H ALA 37 H ALA 37 -13.053 -18.289 1.400 947 HA ALA 37 HA ALA 37 -11.192 -17.995 2.660 948 HB1 ALA 37 3HB ALA 37 -10.044 -16.576 0.256 949 HB2 ALA 37 1HB ALA 37 -9.996 -18.318 0.528 950 HB3 ALA 37 2HB ALA 37 -9.142 -17.231 1.623 951 HA PRO 38 HA PRO 38 -11.461 -14.033 4.660 952 HB2 PRO 38 2HB PRO 38 -8.520 -14.028 5.001 953 HB3 PRO 38 3HB PRO 38 -9.794 -13.958 6.222 954 HG2 PRO 38 2HG PRO 38 -8.347 -16.174 5.866 955 HG3 PRO 38 3HG PRO 38 -10.076 -16.255 6.254 956 HD2 PRO 38 2HD PRO 38 -8.701 -16.632 3.620 957 HD3 PRO 38 3HD PRO 38 -10.072 -17.521 4.316 958 H ALA 39 H ALA 39 -11.700 -12.118 3.729 959 HA ALA 39 HA ALA 39 -10.467 -11.369 1.313 960 HB1 ALA 39 3HB ALA 39 -11.871 -9.635 3.339 961 HB2 ALA 39 1HB ALA 39 -12.641 -10.511 2.015 962 HB3 ALA 39 2HB ALA 39 -11.517 -9.194 1.668 963 H LYS 40 H LYS 40 -8.547 -10.493 0.910 964 HA LYS 40 HA LYS 40 -6.850 -9.723 3.145 965 HB2 LYS 40 2HB LYS 40 -6.260 -9.992 0.196 966 HB3 LYS 40 3HB LYS 40 -5.072 -9.525 1.400 967 HG2 LYS 40 2HG LYS 40 -5.527 -11.703 2.550 968 HG3 LYS 40 3HG LYS 40 -6.485 -12.162 1.140 969 HD2 LYS 40 2HD LYS 40 -4.530 -11.841 -0.295 970 HD3 LYS 40 3HD LYS 40 -3.576 -11.357 1.109 971 HE2 LYS 40 2HE LYS 40 -4.085 -13.599 2.105 972 HE3 LYS 40 3HE LYS 40 -4.789 -14.054 0.554 973 HZ1 LYS 40 3HZ LYS 40 -2.616 -13.538 -0.480 974 HZ2 LYS 40 1HZ LYS 40 -2.536 -14.809 0.647 975 HZ3 LYS 40 2HZ LYS 40 -1.973 -13.264 1.066 976 H PHE 41 H PHE 41 -5.435 -7.748 2.807 977 HA PHE 41 HA PHE 41 -7.249 -5.515 2.420 978 HB2 PHE 41 2HB PHE 41 -4.357 -5.425 3.292 979 HB3 PHE 41 3HB PHE 41 -5.597 -4.203 3.555 980 HD1 PHE 41 HD1 PHE 41 -7.420 -4.644 5.181 981 HD2 PHE 41 HD2 PHE 41 -4.085 -7.244 4.781 982 HE1 PHE 41 HE1 PHE 41 -7.929 -5.623 7.374 983 HE2 PHE 41 HE2 PHE 41 -4.586 -8.235 6.978 984 HZ PHE 41 HZ PHE 41 -6.511 -7.418 8.280 985 H ASP 42 H ASP 42 -7.403 -4.598 0.479 986 HA ASP 42 HA ASP 42 -5.094 -4.769 -1.345 987 HB2 ASP 42 2HB ASP 42 -7.145 -5.991 -2.047 988 HB3 ASP 42 3HB ASP 42 -8.028 -4.470 -2.034 989 H ILE 43 H ILE 43 -4.046 -2.942 -1.592 990 HA ILE 43 HA ILE 43 -5.357 -0.373 -1.116 991 HB ILE 43 HB ILE 43 -2.470 -0.922 -1.835 992 HG12 ILE 43 2HG1 ILE 43 -3.706 -0.480 0.893 993 HG13 ILE 43 3HG1 ILE 43 -3.079 -2.012 0.290 994 HG21 ILE 43 1HG2 ILE 43 -3.815 1.528 -0.702 995 HG22 ILE 43 2HG2 ILE 43 -3.170 1.343 -2.333 996 HG23 ILE 43 3HG2 ILE 43 -2.077 1.339 -0.950 997 HD11 ILE 43 3HD1 ILE 43 -1.497 -0.975 1.789 998 HD12 ILE 43 1HD1 ILE 43 -1.484 0.488 0.805 999 HD13 ILE 43 2HD1 ILE 43 -0.844 -1.019 0.152 1000 H ARG 44 H ARG 44 -6.462 0.413 -2.839 1001 HA ARG 44 HA ARG 44 -5.278 0.160 -5.491 1002 HB2 ARG 44 2HB ARG 44 -6.440 -1.912 -5.303 1003 HB3 ARG 44 3HB ARG 44 -7.850 -1.133 -4.606 1004 HG2 ARG 44 2HG ARG 44 -8.332 -0.079 -6.752 1005 HG3 ARG 44 3HG ARG 44 -6.907 -0.853 -7.452 1006 HD2 ARG 44 2HD ARG 44 -9.119 -2.003 -7.886 1007 HD3 ARG 44 3HD ARG 44 -7.843 -3.013 -7.204 1008 HE ARG 44 HE ARG 44 -9.002 -2.528 -4.991 1009 HH11 ARG 44 1HH1 ARG 44 -10.656 -2.800 -8.056 1010 HH12 ARG 44 2HH1 ARG 44 -12.183 -3.250 -7.358 1011 HH21 ARG 44 1HH2 ARG 44 -11.004 -3.123 -4.038 1012 HH22 ARG 44 2HH2 ARG 44 -12.369 -3.431 -5.063 1013 H ALA 45 H ALA 45 -6.059 1.547 -7.024 1014 HA ALA 45 HA ALA 45 -7.840 3.679 -6.075 1015 HB1 ALA 45 3HB ALA 45 -5.703 4.387 -7.041 1016 HB2 ALA 45 1HB ALA 45 -7.055 4.931 -8.034 1017 HB3 ALA 45 2HB ALA 45 -6.093 3.541 -8.539 1018 H TRP 46 H TRP 46 -9.923 3.714 -6.737 1019 HA TRP 46 HA TRP 46 -10.597 1.963 -8.998 1020 HB2 TRP 46 2HB TRP 46 -12.931 1.934 -8.053 1021 HB3 TRP 46 3HB TRP 46 -11.710 1.107 -7.099 1022 HD1 TRP 46 HD1 TRP 46 -10.893 2.430 -4.816 1023 HE1 TRP 46 HE1 TRP 46 -12.260 3.944 -3.248 1024 HE3 TRP 46 HE3 TRP 46 -14.748 3.603 -7.969 1025 HZ2 TRP 46 HZ2 TRP 46 -14.646 5.438 -3.336 1026 HZ3 TRP 46 HZ3 TRP 46 -16.534 5.079 -7.142 1027 HH2 TRP 46 HH2 TRP 46 -16.482 5.976 -4.873 1028 H SER 47 H SER 47 -12.107 2.618 -10.513 1029 HA SER 47 HA SER 47 -12.305 5.532 -10.833 1030 HB2 SER 47 2HB SER 47 -10.364 4.829 -12.085 1031 HB3 SER 47 3HB SER 47 -11.234 3.458 -12.765 1032 HG SER 47 HG SER 47 -12.619 5.077 -13.788 1033 HA PRO 48 HA PRO 48 -16.440 4.671 -12.460 1034 HB2 PRO 48 2HB PRO 48 -15.762 6.591 -14.628 1035 HB3 PRO 48 3HB PRO 48 -17.127 6.604 -13.504 1036 HG2 PRO 48 2HG PRO 48 -15.133 8.336 -13.201 1037 HG3 PRO 48 3HG PRO 48 -15.874 7.560 -11.788 1038 HD2 PRO 48 2HD PRO 48 -13.299 6.902 -13.175 1039 HD3 PRO 48 3HD PRO 48 -13.636 7.006 -11.436 1040 H ASP 49 H ASP 49 -16.855 2.872 -13.618 1041 HA ASP 49 HA ASP 49 -14.747 1.716 -15.100 1042 HB2 ASP 49 2HB ASP 49 -16.053 -0.231 -15.273 1043 HB3 ASP 49 3HB ASP 49 -16.500 0.482 -13.730 1044 H HIS 50 H HIS 50 -14.230 1.835 -17.091 1045 HA HIS 50 HA HIS 50 -16.192 1.904 -19.195 1046 HB2 HIS 50 2HB HIS 50 -15.615 4.354 -18.587 1047 HB3 HIS 50 3HB HIS 50 -14.024 4.011 -19.255 1048 HD1 HIS 50 HD1 HIS 50 -17.218 5.320 -20.196 1049 HD2 HIS 50 HD2 HIS 50 -14.286 3.065 -22.105 1050 HE1 HIS 50 HE1 HIS 50 -17.673 5.553 -22.659 1051 HE2 HIS 50 HE2 HIS 50 -15.783 4.333 -23.794 1052 H THR 51 H THR 51 -15.105 -0.236 -18.968 1053 HA THR 51 HA THR 51 -13.516 -1.815 -19.336 1054 HB THR 51 HB THR 51 -12.409 -1.678 -21.609 1055 HG1 THR 51 HG1 THR 51 -12.962 0.849 -21.452 1056 HG21 THR 51 3HG2 THR 51 -14.531 -2.831 -21.233 1057 HG22 THR 51 1HG2 THR 51 -14.501 -2.050 -22.814 1058 HG23 THR 51 2HG2 THR 51 -15.402 -1.319 -21.486 1059 H LYS 52 H LYS 52 -12.562 -0.115 -17.512 1060 HA LYS 52 HA LYS 52 -9.793 0.474 -18.324 1061 HB2 LYS 52 2HB LYS 52 -11.459 1.748 -16.146 1062 HB3 LYS 52 3HB LYS 52 -9.765 2.098 -16.446 1063 HG2 LYS 52 2HG LYS 52 -10.317 2.980 -18.645 1064 HG3 LYS 52 3HG LYS 52 -12.020 2.600 -18.375 1065 HD2 LYS 52 2HD LYS 52 -12.027 4.114 -16.430 1066 HD3 LYS 52 3HD LYS 52 -10.342 4.518 -16.760 1067 HE2 LYS 52 2HE LYS 52 -12.658 4.985 -18.635 1068 HE3 LYS 52 3HE LYS 52 -11.898 6.214 -17.622 1069 HZ1 LYS 52 3HZ LYS 52 -10.615 4.709 -19.841 1070 HZ2 LYS 52 1HZ LYS 52 -9.805 5.792 -18.813 1071 HZ3 LYS 52 2HZ LYS 52 -11.037 6.352 -19.835 1072 H MET 53 H MET 53 -8.116 -0.220 -17.038 1073 HA MET 53 HA MET 53 -8.850 -2.008 -14.818 1074 HB2 MET 53 2HB MET 53 -7.599 -3.063 -16.678 1075 HB3 MET 53 3HB MET 53 -6.285 -1.924 -16.425 1076 HG2 MET 53 2HG MET 53 -5.778 -4.076 -15.434 1077 HG3 MET 53 3HG MET 53 -5.916 -2.833 -14.193 1078 HE1 MET 53 3HE MET 53 -7.695 -5.857 -15.958 1079 HE2 MET 53 1HE MET 53 -8.899 -4.577 -16.104 1080 HE3 MET 53 2HE MET 53 -9.209 -5.959 -15.057 1081 H GLY 54 H GLY 54 -8.614 -1.117 -12.889 1082 HA2 GLY 54 2HA GLY 54 -6.955 1.228 -12.533 1083 HA3 GLY 54 3HA GLY 54 -7.980 0.476 -11.319 1084 H LYS 55 H LYS 55 -5.298 1.419 -10.946 1085 HA LYS 55 HA LYS 55 -3.688 -1.003 -10.774 1086 HB2 LYS 55 2HB LYS 55 -3.019 1.884 -10.190 1087 HB3 LYS 55 3HB LYS 55 -1.888 0.553 -10.013 1088 HG2 LYS 55 2HG LYS 55 -2.127 0.068 -12.424 1089 HG3 LYS 55 3HG LYS 55 -3.184 1.474 -12.571 1090 HD2 LYS 55 2HD LYS 55 -1.379 2.929 -11.828 1091 HD3 LYS 55 3HD LYS 55 -0.321 1.535 -11.611 1092 HE2 LYS 55 2HE LYS 55 0.242 2.588 -13.685 1093 HE3 LYS 55 3HE LYS 55 -0.555 1.057 -14.042 1094 HZ1 LYS 55 3HZ LYS 55 -1.873 3.722 -14.100 1095 HZ2 LYS 55 1HZ LYS 55 -2.590 2.242 -14.525 1096 HZ3 LYS 55 2HZ LYS 55 -1.327 2.878 -15.462 1097 H GLY 56 H GLY 56 -2.864 -1.824 -8.854 1098 HA2 GLY 56 2HA GLY 56 -3.196 -0.721 -6.309 1099 HA3 GLY 56 3HA GLY 56 -4.577 -1.759 -6.630 1100 H ILE 57 H ILE 57 -2.981 -2.410 -4.547 1101 HA ILE 57 HA ILE 57 -1.772 -4.897 -5.480 1102 HB ILE 57 HB ILE 57 0.107 -3.345 -5.392 1103 HG12 ILE 57 2HG1 ILE 57 0.210 -5.242 -3.042 1104 HG13 ILE 57 3HG1 ILE 57 0.380 -5.736 -4.724 1105 HG21 ILE 57 1HG2 ILE 57 -0.730 -1.729 -3.803 1106 HG22 ILE 57 2HG2 ILE 57 0.826 -2.355 -3.254 1107 HG23 ILE 57 3HG2 ILE 57 -0.666 -2.929 -2.511 1108 HD11 ILE 57 3HD1 ILE 57 2.375 -4.344 -4.926 1109 HD12 ILE 57 1HD1 ILE 57 2.537 -5.547 -3.645 1110 HD13 ILE 57 2HD1 ILE 57 2.206 -3.864 -3.237 1111 H THR 58 H THR 58 -2.058 -6.572 -4.099 1112 HA THR 58 HA THR 58 -3.769 -6.053 -1.794 1113 HB THR 58 HB THR 58 -3.139 -8.745 -3.006 1114 HG1 THR 58 HG1 THR 58 -4.917 -6.698 -3.876 1115 HG21 THR 58 3HG2 THR 58 -5.525 -7.690 -1.479 1116 HG22 THR 58 1HG2 THR 58 -4.274 -8.754 -0.838 1117 HG23 THR 58 2HG2 THR 58 -5.350 -9.328 -2.112 1118 H LEU 59 H LEU 59 -3.263 -6.651 0.265 1119 HA LEU 59 HA LEU 59 -0.609 -7.857 0.722 1120 HB2 LEU 59 2HB LEU 59 -1.967 -5.726 2.378 1121 HB3 LEU 59 3HB LEU 59 -0.422 -6.469 2.735 1122 HG LEU 59 HG LEU 59 -0.996 -4.755 0.316 1123 HD11 LEU 59 1HD1 LEU 59 -1.022 -3.466 2.391 1124 HD12 LEU 59 2HD1 LEU 59 0.396 -3.086 1.414 1125 HD13 LEU 59 3HD1 LEU 59 0.553 -4.132 2.826 1126 HD21 LEU 59 3HD2 LEU 59 1.574 -5.940 1.354 1127 HD22 LEU 59 1HD2 LEU 59 1.437 -4.798 0.015 1128 HD23 LEU 59 2HD2 LEU 59 0.727 -6.407 -0.123 1129 H SER 60 H SER 60 -0.501 -9.493 2.186 1130 HA SER 60 HA SER 60 -2.966 -10.548 3.269 1131 HB2 SER 60 2HB SER 60 -0.150 -11.545 3.750 1132 HB3 SER 60 3HB SER 60 -1.656 -12.456 3.901 1133 HG SER 60 HG SER 60 -0.331 -11.566 1.566 1134 H ASN 61 H ASN 61 -2.828 -11.350 5.672 1135 HA ASN 61 HA ASN 61 -2.938 -9.072 7.272 1136 HB2 ASN 61 2HB ASN 61 -3.181 -10.568 9.188 1137 HB3 ASN 61 3HB ASN 61 -4.138 -11.134 7.828 1138 HD21 ASN 61 1HD2 ASN 61 -3.216 -12.626 10.118 1139 HD22 ASN 61 2HD2 ASN 61 -2.243 -13.920 9.507 1140 H GLU 62 H GLU 62 -0.338 -11.502 7.110 1141 HA GLU 62 HA GLU 62 1.342 -10.353 9.045 1142 HB2 GLU 62 2HB GLU 62 1.725 -12.601 8.213 1143 HB3 GLU 62 3HB GLU 62 2.024 -11.985 6.592 1144 HG2 GLU 62 2HG GLU 62 3.988 -10.742 7.520 1145 HG3 GLU 62 3HG GLU 62 3.726 -11.596 9.039 1146 H GLU 63 H GLU 63 1.419 -10.056 5.523 1147 HA GLU 63 HA GLU 63 3.608 -8.339 5.325 1148 HB2 GLU 63 2HB GLU 63 1.285 -8.355 3.410 1149 HB3 GLU 63 3HB GLU 63 2.986 -8.095 3.052 1150 HG2 GLU 63 2HG GLU 63 3.488 -10.403 3.487 1151 HG3 GLU 63 3HG GLU 63 1.839 -10.697 4.036 1152 H PHE 64 H PHE 64 0.170 -7.695 5.648 1153 HA PHE 64 HA PHE 64 0.249 -4.913 5.254 1154 HB2 PHE 64 2HB PHE 64 -1.759 -6.552 5.323 1155 HB3 PHE 64 3HB PHE 64 -1.719 -6.292 7.062 1156 HD1 PHE 64 HD1 PHE 64 -1.843 -4.412 3.858 1157 HD2 PHE 64 HD2 PHE 64 -2.928 -4.553 7.966 1158 HE1 PHE 64 HE1 PHE 64 -3.209 -2.391 3.560 1159 HE2 PHE 64 HE2 PHE 64 -4.298 -2.530 7.678 1160 HZ PHE 64 HZ PHE 64 -4.438 -1.448 5.468 1161 H GLN 65 H GLN 65 0.151 -6.829 8.270 1162 HA GLN 65 HA GLN 65 0.424 -4.670 10.032 1163 HB2 GLN 65 2HB GLN 65 0.971 -7.605 10.249 1164 HB3 GLN 65 3HB GLN 65 1.499 -6.535 11.542 1165 HG2 GLN 65 2HG GLN 65 -1.319 -6.431 10.567 1166 HG3 GLN 65 3HG GLN 65 -0.808 -7.695 11.682 1167 HE21 GLN 65 1HE2 GLN 65 0.601 -4.503 11.787 1168 HE22 GLN 65 2HE2 GLN 65 -0.148 -4.012 13.262 1169 H THR 66 H THR 66 2.801 -6.429 8.186 1170 HA THR 66 HA THR 66 5.125 -5.641 9.531 1171 HB THR 66 HB THR 66 4.798 -6.125 6.557 1172 HG1 THR 66 HG1 THR 66 4.109 -7.911 7.855 1173 HG21 THR 66 3HG2 THR 66 7.174 -6.700 6.603 1174 HG22 THR 66 1HG2 THR 66 7.247 -6.310 8.322 1175 HG23 THR 66 2HG2 THR 66 6.928 -5.040 7.143 1176 H MET 67 H MET 67 3.486 -4.106 6.741 1177 HA MET 67 HA MET 67 5.236 -1.871 6.672 1178 HB2 MET 67 2HB MET 67 3.817 -0.937 5.058 1179 HB3 MET 67 3HB MET 67 3.626 -2.669 4.827 1180 HG2 MET 67 2HG MET 67 1.515 -2.661 5.910 1181 HG3 MET 67 3HG MET 67 1.732 -0.999 6.457 1182 HE1 MET 67 3HE MET 67 -0.950 -1.597 5.226 1183 HE2 MET 67 1HE MET 67 -1.130 -0.330 4.012 1184 HE3 MET 67 2HE MET 67 -0.411 0.042 5.580 1185 H VAL 68 H VAL 68 2.263 -2.570 8.375 1186 HA VAL 68 HA VAL 68 1.582 0.032 9.175 1187 HB VAL 68 HB VAL 68 0.943 -2.657 10.392 1188 HG11 VAL 68 1HG1 VAL 68 -0.267 0.026 11.071 1189 HG12 VAL 68 2HG1 VAL 68 0.706 -0.979 12.144 1190 HG13 VAL 68 3HG1 VAL 68 -0.880 -1.543 11.602 1191 HG21 VAL 68 3HG2 VAL 68 -0.702 -0.763 8.727 1192 HG22 VAL 68 1HG2 VAL 68 -1.181 -2.366 9.280 1193 HG23 VAL 68 2HG2 VAL 68 0.127 -2.192 8.115 1194 H ASP 69 H ASP 69 3.645 -2.411 10.716 1195 HA ASP 69 HA ASP 69 4.157 -0.918 13.078 1196 HB2 ASP 69 2HB ASP 69 4.653 -3.248 13.155 1197 HB3 ASP 69 3HB ASP 69 5.671 -3.150 11.720 1198 H ALA 70 H ALA 70 5.951 -1.280 10.042 1199 HA ALA 70 HA ALA 70 8.200 0.209 10.807 1200 HB1 ALA 70 3HB ALA 70 8.183 -1.321 8.902 1201 HB2 ALA 70 1HB ALA 70 8.774 0.279 8.458 1202 HB3 ALA 70 2HB ALA 70 7.136 -0.208 8.022 1203 H PHE 71 H PHE 71 5.376 1.245 8.852 1204 HA PHE 71 HA PHE 71 6.340 3.906 8.581 1205 HB2 PHE 71 2HB PHE 71 3.519 2.874 8.254 1206 HB3 PHE 71 3HB PHE 71 4.109 4.440 7.711 1207 HD1 PHE 71 HD1 PHE 71 6.617 3.896 6.388 1208 HD2 PHE 71 HD2 PHE 71 3.046 1.573 6.443 1209 HE1 PHE 71 HE1 PHE 71 7.247 2.874 4.248 1210 HE2 PHE 71 HE2 PHE 71 3.682 0.553 4.301 1211 HZ PHE 71 HZ PHE 71 5.776 1.204 3.202 1212 H LYS 72 H LYS 72 4.306 2.283 10.916 1213 HA LYS 72 HA LYS 72 3.220 4.424 12.310 1214 HB2 LYS 72 2HB LYS 72 2.661 2.101 12.817 1215 HB3 LYS 72 3HB LYS 72 4.297 1.806 13.383 1216 HG2 LYS 72 2HG LYS 72 3.891 3.507 15.171 1217 HG3 LYS 72 3HG LYS 72 2.202 3.542 14.657 1218 HD2 LYS 72 2HD LYS 72 2.023 1.138 15.104 1219 HD3 LYS 72 3HD LYS 72 3.707 1.113 15.634 1220 HE2 LYS 72 2HE LYS 72 3.098 2.800 17.368 1221 HE3 LYS 72 3HE LYS 72 1.411 2.594 16.901 1222 HZ1 LYS 72 3HZ LYS 72 1.620 0.220 17.460 1223 HZ2 LYS 72 1HZ LYS 72 1.903 1.230 18.791 1224 HZ3 LYS 72 2HZ LYS 72 3.203 0.499 18.000 1225 H GLY 73 H GLY 73 6.419 2.941 12.596 1226 HA2 GLY 73 2HA GLY 73 7.201 5.011 14.527 1227 HA3 GLY 73 3HA GLY 73 8.088 3.537 14.179 1228 H ASN 74 H ASN 74 6.857 5.510 11.588 1229 HA ASN 74 HA ASN 74 9.538 6.622 11.152 1230 HB2 ASN 74 2HB ASN 74 9.383 4.577 9.796 1231 HB3 ASN 74 3HB ASN 74 7.916 5.189 9.036 1232 HD21 ASN 74 1HD2 ASN 74 11.364 5.417 9.212 1233 HD22 ASN 74 2HD2 ASN 74 11.575 6.444 7.830 1234 H LEU 75 H LEU 75 6.280 6.587 9.657 1235 HA LEU 75 HA LEU 75 6.756 9.295 8.719 1236 HB2 LEU 75 2HB LEU 75 5.763 7.418 7.317 1237 HB3 LEU 75 3HB LEU 75 4.294 7.628 8.250 1238 HG LEU 75 HG LEU 75 4.020 9.886 7.413 1239 HD11 LEU 75 1HD1 LEU 75 6.390 10.497 7.315 1240 HD12 LEU 75 2HD1 LEU 75 5.562 10.854 5.801 1241 HD13 LEU 75 3HD1 LEU 75 6.602 9.435 5.924 1242 HD21 LEU 75 3HD2 LEU 75 3.753 9.402 5.003 1243 HD22 LEU 75 1HD2 LEU 75 3.114 8.118 6.027 1244 HD23 LEU 75 2HD2 LEU 75 4.667 7.910 5.226 1245 H GLU 76 H GLU 76 5.574 7.983 11.495 1246 HA GLU 76 HA GLU 76 3.543 9.912 12.079 1247 HB2 GLU 76 2HB GLU 76 3.464 7.941 13.396 1248 HB3 GLU 76 3HB GLU 76 5.179 8.032 13.775 1249 HG2 GLU 76 2HG GLU 76 3.744 8.584 15.690 1250 HG3 GLU 76 3HG GLU 76 4.806 9.911 15.233 1251 H HIS 77 H HIS 77 3.981 11.993 12.153 1252 HA HIS 77 HA HIS 77 6.116 12.943 13.833 1253 HB2 HIS 77 2HB HIS 77 7.173 12.612 11.573 1254 HB3 HIS 77 3HB HIS 77 6.053 13.810 10.938 1255 HD1 HIS 77 HD1 HIS 77 9.123 13.437 13.017 1256 HD2 HIS 77 HD2 HIS 77 6.630 16.479 11.659 1257 HE1 HIS 77 HE1 HIS 77 10.355 15.579 13.477 1258 HE2 HIS 77 HE2 HIS 77 8.904 17.396 12.492 1259 H HIS 78 H HIS 78 4.168 13.556 14.941 1260 HA HIS 78 HA HIS 78 2.323 15.437 14.015 1261 HB2 HIS 78 2HB HIS 78 3.310 14.604 16.697 1262 HB3 HIS 78 3HB HIS 78 2.424 16.120 16.597 1263 HD1 HIS 78 HD1 HIS 78 1.897 12.527 15.384 1264 HD2 HIS 78 HD2 HIS 78 -0.211 15.763 16.948 1265 HE1 HIS 78 HE1 HIS 78 -0.471 11.727 15.674 1266 HE2 HIS 78 HE2 HIS 78 -1.654 13.617 16.858 1267 H HIS 79 H HIS 79 2.822 17.287 13.089 1268 HA HIS 79 HA HIS 79 5.213 18.755 13.788 1269 HB2 HIS 79 2HB HIS 79 4.134 18.499 11.444 1270 HB3 HIS 79 3HB HIS 79 3.001 19.732 11.985 1271 HD1 HIS 79 HD1 HIS 79 5.607 19.644 9.836 1272 HD2 HIS 79 HD2 HIS 79 5.016 21.918 13.271 1273 HE1 HIS 79 HE1 HIS 79 7.108 21.647 9.594 1274 HE2 HIS 79 HE2 HIS 79 6.882 22.897 11.764 1275 H HIS 80 H HIS 80 1.733 19.028 14.142 1276 HA HIS 80 HA HIS 80 2.156 21.051 16.236 1277 HB2 HIS 80 2HB HIS 80 1.141 21.901 13.997 1278 HB3 HIS 80 3HB HIS 80 -0.303 21.027 14.491 1279 HD1 HIS 80 HD1 HIS 80 -1.946 22.569 15.469 1280 HD2 HIS 80 HD2 HIS 80 1.960 23.661 16.414 1281 HE1 HIS 80 HE1 HIS 80 -2.135 24.632 16.896 1282 HE2 HIS 80 HE2 HIS 80 0.220 25.152 17.615 1283 H HIS 81 H HIS 81 0.939 20.754 18.071 1284 HA HIS 81 HA HIS 81 0.023 18.113 18.561 1285 HB2 HIS 81 2HB HIS 81 1.050 19.559 20.302 1286 HB3 HIS 81 3HB HIS 81 -0.379 20.586 20.260 1287 HD1 HIS 81 HD1 HIS 81 -1.805 20.133 22.220 1288 HD2 HIS 81 HD2 HIS 81 0.028 16.681 20.805 1289 HE1 HIS 81 HE1 HIS 81 -2.620 18.275 23.704 1290 HE2 HIS 81 HE2 HIS 81 -1.628 16.172 22.721 1291 H HIS 82 H HIS 82 -1.493 20.858 17.262 1292 HA HIS 82 HA HIS 82 -4.061 19.446 17.351 1293 HB2 HIS 82 2HB HIS 82 -4.100 21.331 18.995 1294 HB3 HIS 82 3HB HIS 82 -3.775 22.445 17.669 1295 HD1 HIS 82 HD1 HIS 82 -5.755 23.272 16.369 1296 HD2 HIS 82 HD2 HIS 82 -6.663 19.988 18.751 1297 HE1 HIS 82 HE1 HIS 82 -8.253 23.008 16.238 1298 HE2 HIS 82 HE2 HIS 82 -8.728 20.856 17.459 Start of MODEL 10 1 H1 MET 1 1H MET 1 8.511 21.680 -15.946 2 H2 MET 1 2H MET 1 7.611 22.032 -17.336 3 H3 MET 1 3H MET 1 9.046 21.138 -17.458 4 HA MET 1 HA MET 1 7.030 19.772 -17.648 5 HB2 MET 1 2HB MET 1 9.076 18.710 -16.932 6 HB3 MET 1 3HB MET 1 8.848 19.279 -15.283 7 HG2 MET 1 2HG MET 1 6.842 17.878 -15.092 8 HG3 MET 1 3HG MET 1 7.111 17.292 -16.731 9 HE1 MET 1 3HE MET 1 6.795 15.545 -13.973 10 HE2 MET 1 1HE MET 1 7.970 14.269 -14.298 11 HE3 MET 1 2HE MET 1 6.894 14.823 -15.580 12 H LYS 2 H LYS 2 4.988 20.307 -17.242 13 HA LYS 2 HA LYS 2 4.130 19.984 -14.461 14 HB2 LYS 2 2HB LYS 2 2.371 21.739 -14.820 15 HB3 LYS 2 3HB LYS 2 4.016 22.339 -14.695 16 HG2 LYS 2 2HG LYS 2 4.102 22.553 -17.145 17 HG3 LYS 2 3HG LYS 2 2.424 22.006 -17.231 18 HD2 LYS 2 2HD LYS 2 1.695 23.908 -15.928 19 HD3 LYS 2 3HD LYS 2 3.365 24.422 -15.693 20 HE2 LYS 2 2HE LYS 2 2.302 25.764 -17.410 21 HE3 LYS 2 3HE LYS 2 3.589 24.778 -18.106 22 HZ1 LYS 2 3HZ LYS 2 1.419 24.899 -19.362 23 HZ2 LYS 2 1HZ LYS 2 0.752 23.924 -18.146 24 HZ3 LYS 2 2HZ LYS 2 2.039 23.345 -19.087 25 H LYS 3 H LYS 3 4.184 18.616 -17.234 26 HA LYS 3 HA LYS 3 1.405 17.665 -17.115 27 HB2 LYS 3 2HB LYS 3 3.437 17.492 -19.348 28 HB3 LYS 3 3HB LYS 3 1.890 16.659 -19.368 29 HG2 LYS 3 2HG LYS 3 2.046 19.631 -19.025 30 HG3 LYS 3 3HG LYS 3 2.105 18.886 -20.621 31 HD2 LYS 3 2HD LYS 3 -0.164 19.502 -20.200 32 HD3 LYS 3 3HD LYS 3 -0.062 17.745 -20.073 33 HE2 LYS 3 2HE LYS 3 -0.057 17.883 -17.662 34 HE3 LYS 3 3HE LYS 3 0.005 19.641 -17.728 35 HZ1 LYS 3 3HZ LYS 3 -2.177 19.668 -18.732 36 HZ2 LYS 3 1HZ LYS 3 -2.228 18.817 -17.266 37 HZ3 LYS 3 2HZ LYS 3 -2.239 17.972 -18.736 38 H MET 4 H MET 4 1.662 15.197 -18.212 39 HA MET 4 HA MET 4 2.411 13.678 -15.980 40 HB2 MET 4 2HB MET 4 1.925 12.766 -18.820 41 HB3 MET 4 3HB MET 4 1.976 11.718 -17.411 42 HG2 MET 4 2HG MET 4 -0.298 12.069 -17.941 43 HG3 MET 4 3HG MET 4 0.044 13.000 -16.485 44 HE1 MET 4 3HE MET 4 -0.483 14.823 -20.696 45 HE2 MET 4 1HE MET 4 -0.670 13.107 -20.328 46 HE3 MET 4 2HE MET 4 0.924 13.857 -20.252 47 H ALA 5 H ALA 5 3.931 13.913 -19.180 48 HA ALA 5 HA ALA 5 6.015 13.496 -19.945 49 HB1 ALA 5 3HB ALA 5 6.751 15.017 -18.168 50 HB2 ALA 5 1HB ALA 5 7.931 13.742 -18.471 51 HB3 ALA 5 2HB ALA 5 6.878 13.652 -17.059 52 H GLU 6 H GLU 6 6.333 11.794 -16.843 53 HA GLU 6 HA GLU 6 6.772 9.637 -16.306 54 HB2 GLU 6 2HB GLU 6 5.008 9.134 -18.705 55 HB3 GLU 6 3HB GLU 6 5.485 7.902 -17.548 56 HG2 GLU 6 2HG GLU 6 4.311 9.064 -15.779 57 HG3 GLU 6 3HG GLU 6 3.906 10.381 -16.881 58 H PHE 7 H PHE 7 9.012 9.646 -16.677 59 HA PHE 7 HA PHE 7 9.779 8.155 -19.094 60 HB2 PHE 7 2HB PHE 7 11.161 10.600 -18.004 61 HB3 PHE 7 3HB PHE 7 11.932 9.489 -19.128 62 HD1 PHE 7 HD2 PHE 7 10.658 9.032 -21.331 63 HD2 PHE 7 HD1 PHE 7 9.940 12.385 -18.815 64 HE1 PHE 7 HE2 PHE 7 9.645 10.229 -23.224 65 HE2 PHE 7 HE1 PHE 7 8.927 13.592 -20.703 66 HZ PHE 7 HZ PHE 7 8.779 12.515 -22.911 67 H THR 8 H THR 8 11.575 9.416 -16.274 68 HA THR 8 HA THR 8 12.671 6.698 -15.990 69 HB THR 8 HB THR 8 14.329 8.325 -16.803 70 HG1 THR 8 HG1 THR 8 14.812 6.576 -15.150 71 HG21 THR 8 3HG2 THR 8 13.800 9.753 -14.197 72 HG22 THR 8 1HG2 THR 8 13.447 10.358 -15.817 73 HG23 THR 8 2HG2 THR 8 15.120 10.119 -15.310 74 H PHE 9 H PHE 9 13.214 5.968 -13.903 75 HA PHE 9 HA PHE 9 12.243 7.477 -11.610 76 HB2 PHE 9 2HB PHE 9 11.011 5.458 -10.763 77 HB3 PHE 9 3HB PHE 9 10.276 6.208 -12.173 78 HD1 PHE 9 HD2 PHE 9 10.348 5.093 -14.351 79 HD2 PHE 9 HD1 PHE 9 11.937 3.251 -10.857 80 HE1 PHE 9 HE2 PHE 9 10.357 2.921 -15.504 81 HE2 PHE 9 HE1 PHE 9 11.945 1.076 -12.003 82 HZ PHE 9 HZ PHE 9 11.154 0.908 -14.332 83 H GLU 10 H GLU 10 13.416 7.058 -9.757 84 HA GLU 10 HA GLU 10 15.314 4.818 -9.849 85 HB2 GLU 10 2HB GLU 10 16.402 6.945 -10.639 86 HB3 GLU 10 3HB GLU 10 16.105 7.619 -9.042 87 HG2 GLU 10 2HG GLU 10 17.550 6.033 -8.016 88 HG3 GLU 10 3HG GLU 10 17.693 5.112 -9.512 89 H ILE 11 H ILE 11 16.087 4.138 -7.774 90 HA ILE 11 HA ILE 11 14.110 4.573 -5.699 91 HB ILE 11 HB ILE 11 16.512 2.737 -5.711 92 HG12 ILE 11 2HG1 ILE 11 13.593 2.138 -6.251 93 HG13 ILE 11 3HG1 ILE 11 14.863 2.193 -7.469 94 HG21 ILE 11 1HG2 ILE 11 14.125 2.844 -3.869 95 HG22 ILE 11 2HG2 ILE 11 15.780 3.290 -3.457 96 HG23 ILE 11 3HG2 ILE 11 15.389 1.614 -3.842 97 HD11 ILE 11 3HD1 ILE 11 15.971 0.305 -6.410 98 HD12 ILE 11 1HD1 ILE 11 14.309 -0.094 -6.843 99 HD13 ILE 11 2HD1 ILE 11 14.722 0.259 -5.166 100 H GLU 12 H GLU 12 14.336 6.118 -4.260 101 HA GLU 12 HA GLU 12 16.909 7.366 -3.766 102 HB2 GLU 12 2HB GLU 12 14.185 7.938 -2.579 103 HB3 GLU 12 3HB GLU 12 15.611 8.953 -2.421 104 HG2 GLU 12 2HG GLU 12 14.292 8.297 -5.040 105 HG3 GLU 12 3HG GLU 12 13.955 9.744 -4.093 106 H GLU 13 H GLU 13 14.465 5.542 -2.021 107 HA GLU 13 HA GLU 13 16.395 4.593 -0.088 108 HB2 GLU 13 2HB GLU 13 15.769 6.645 1.002 109 HB3 GLU 13 3HB GLU 13 14.066 6.363 0.678 110 HG2 GLU 13 2HG GLU 13 14.206 4.354 2.168 111 HG3 GLU 13 3HG GLU 13 15.835 4.869 2.602 112 H HIS 14 H HIS 14 15.739 2.630 0.828 113 HA HIS 14 HA HIS 14 13.115 1.670 -0.094 114 HB2 HIS 14 2HB HIS 14 13.897 -0.525 -0.082 115 HB3 HIS 14 3HB HIS 14 15.318 0.366 -0.600 116 HD1 HIS 14 HD1 HIS 14 14.246 -2.145 1.727 117 HD2 HIS 14 HD2 HIS 14 17.198 0.777 1.680 118 HE1 HIS 14 HE1 HIS 14 15.898 -2.828 3.492 119 HE2 HIS 14 HE2 HIS 14 17.773 -1.157 3.303 120 H LEU 15 H LEU 15 11.510 1.470 1.329 121 HA LEU 15 HA LEU 15 11.990 2.378 4.017 122 HB2 LEU 15 2HB LEU 15 9.431 1.391 2.748 123 HB3 LEU 15 3HB LEU 15 9.561 2.225 4.284 124 HG LEU 15 HG LEU 15 10.273 3.422 1.605 125 HD11 LEU 15 1HD1 LEU 15 7.876 3.051 1.833 126 HD12 LEU 15 2HD1 LEU 15 8.270 4.766 1.895 127 HD13 LEU 15 3HD1 LEU 15 7.888 3.898 3.379 128 HD21 LEU 15 3HD2 LEU 15 10.386 5.530 2.851 129 HD22 LEU 15 1HD2 LEU 15 11.587 4.369 3.416 130 HD23 LEU 15 2HD2 LEU 15 10.119 4.649 4.355 131 H LEU 16 H LEU 16 10.216 -0.486 2.835 132 HA LEU 16 HA LEU 16 11.795 -2.239 4.454 133 HB2 LEU 16 2HB LEU 16 9.960 -3.108 5.838 134 HB3 LEU 16 3HB LEU 16 10.355 -1.446 6.220 135 HG LEU 16 HG LEU 16 8.153 -1.796 4.285 136 HD11 LEU 16 1HD1 LEU 16 6.534 -2.342 6.043 137 HD12 LEU 16 2HD1 LEU 16 7.859 -2.580 7.181 138 HD13 LEU 16 3HD1 LEU 16 7.691 -3.650 5.790 139 HD21 LEU 16 3HD2 LEU 16 7.179 -0.011 5.621 140 HD22 LEU 16 1HD2 LEU 16 8.838 0.389 5.172 141 HD23 LEU 16 2HD2 LEU 16 8.476 -0.170 6.806 142 H THR 17 H THR 17 11.690 -4.302 3.764 143 HA THR 17 HA THR 17 10.084 -4.860 1.413 144 HB THR 17 HB THR 17 12.059 -6.684 2.802 145 HG1 THR 17 HG1 THR 17 12.601 -4.940 0.600 146 HG21 THR 17 3HG2 THR 17 10.594 -7.780 1.172 147 HG22 THR 17 1HG2 THR 17 12.257 -7.717 0.587 148 HG23 THR 17 2HG2 THR 17 11.056 -6.592 -0.049 149 H LEU 18 H LEU 18 8.226 -6.005 1.475 150 HA LEU 18 HA LEU 18 7.210 -6.787 4.056 151 HB2 LEU 18 2HB LEU 18 5.932 -7.100 1.339 152 HB3 LEU 18 3HB LEU 18 5.127 -7.239 2.891 153 HG LEU 18 HG LEU 18 6.302 -4.728 1.698 154 HD11 LEU 18 1HD1 LEU 18 4.194 -5.443 0.699 155 HD12 LEU 18 2HD1 LEU 18 3.996 -3.964 1.645 156 HD13 LEU 18 3HD1 LEU 18 3.456 -5.510 2.302 157 HD21 LEU 18 3HD2 LEU 18 5.398 -3.580 3.656 158 HD22 LEU 18 1HD2 LEU 18 6.619 -4.764 4.122 159 HD23 LEU 18 2HD2 LEU 18 4.908 -5.127 4.346 160 H SER 19 H SER 19 7.357 -8.546 0.947 161 HA SER 19 HA SER 19 8.154 -10.943 2.425 162 HB2 SER 19 2HB SER 19 5.923 -11.011 0.393 163 HB3 SER 19 3HB SER 19 6.448 -12.309 1.460 164 HG SER 19 HG SER 19 4.612 -10.430 1.889 165 H GLU 20 H GLU 20 9.282 -12.444 1.215 166 HA GLU 20 HA GLU 20 9.957 -11.673 -1.540 167 HB2 GLU 20 2HB GLU 20 11.907 -11.907 -0.095 168 HB3 GLU 20 3HB GLU 20 11.379 -13.509 0.404 169 HG2 GLU 20 2HG GLU 20 11.607 -14.245 -1.967 170 HG3 GLU 20 3HG GLU 20 12.308 -12.668 -2.331 171 H ASN 21 H ASN 21 8.683 -12.693 -2.974 172 HA ASN 21 HA ASN 21 7.461 -15.226 -2.361 173 HB2 ASN 21 2HB ASN 21 6.428 -13.455 -3.856 174 HB3 ASN 21 3HB ASN 21 7.629 -13.883 -5.069 175 HD21 ASN 21 1HD2 ASN 21 4.722 -14.064 -5.154 176 HD22 ASN 21 2HD2 ASN 21 4.344 -15.720 -5.476 177 H GLU 22 H GLU 22 8.251 -17.195 -2.786 178 HA GLU 22 HA GLU 22 10.987 -17.504 -3.345 179 HB2 GLU 22 2HB GLU 22 8.836 -19.620 -3.444 180 HB3 GLU 22 3HB GLU 22 10.562 -19.893 -3.242 181 HG2 GLU 22 2HG GLU 22 10.425 -18.563 -1.122 182 HG3 GLU 22 3HG GLU 22 8.671 -18.588 -1.308 183 H LYS 23 H LYS 23 8.333 -17.156 -5.417 184 HA LYS 23 HA LYS 23 9.304 -18.569 -7.681 185 HB2 LYS 23 2HB LYS 23 6.938 -17.826 -7.322 186 HB3 LYS 23 3HB LYS 23 7.457 -16.174 -7.623 187 HG2 LYS 23 2HG LYS 23 8.109 -16.762 -9.882 188 HG3 LYS 23 3HG LYS 23 7.670 -18.448 -9.582 189 HD2 LYS 23 2HD LYS 23 5.349 -17.748 -9.165 190 HD3 LYS 23 3HD LYS 23 5.801 -16.081 -9.527 191 HE2 LYS 23 2HE LYS 23 5.992 -18.414 -11.425 192 HE3 LYS 23 3HE LYS 23 4.746 -17.168 -11.446 193 HZ1 LYS 23 3HZ LYS 23 6.583 -15.528 -11.771 194 HZ2 LYS 23 1HZ LYS 23 6.338 -16.595 -13.069 195 HZ3 LYS 23 2HZ LYS 23 7.636 -16.837 -12.006 196 H GLY 24 H GLY 24 10.313 -15.729 -6.141 197 HA2 GLY 24 2HA GLY 24 12.466 -14.846 -6.755 198 HA3 GLY 24 3HA GLY 24 12.057 -15.137 -8.437 199 H TRP 25 H TRP 25 9.870 -13.665 -6.134 200 HA TRP 25 HA TRP 25 10.333 -11.022 -7.316 201 HB2 TRP 25 2HB TRP 25 7.841 -12.626 -7.411 202 HB3 TRP 25 3HB TRP 25 7.645 -10.932 -6.980 203 HD1 TRP 25 HD1 TRP 25 10.096 -12.346 -9.611 204 HE1 TRP 25 HE1 TRP 25 9.531 -11.268 -11.885 205 HE3 TRP 25 HE3 TRP 25 5.914 -9.743 -8.260 206 HZ2 TRP 25 HZ2 TRP 25 7.560 -9.561 -12.959 207 HZ3 TRP 25 HZ3 TRP 25 4.741 -8.421 -9.969 208 HH2 TRP 25 HH2 TRP 25 5.548 -8.332 -12.270 209 H THR 26 H THR 26 10.829 -9.679 -5.684 210 HA THR 26 HA THR 26 9.718 -10.194 -3.028 211 HB THR 26 HB THR 26 11.244 -8.281 -2.350 212 HG1 THR 26 HG1 THR 26 11.389 -7.693 -4.780 213 HG21 THR 26 3HG2 THR 26 13.289 -9.644 -2.477 214 HG22 THR 26 1HG2 THR 26 12.499 -10.700 -3.650 215 HG23 THR 26 2HG2 THR 26 11.888 -10.600 -1.997 216 H LYS 27 H LYS 27 8.283 -8.864 -2.012 217 HA LYS 27 HA LYS 27 7.259 -6.593 -3.595 218 HB2 LYS 27 2HB LYS 27 5.716 -8.604 -3.156 219 HB3 LYS 27 3HB LYS 27 5.705 -8.089 -1.482 220 HG2 LYS 27 2HG LYS 27 5.062 -5.964 -3.388 221 HG3 LYS 27 3HG LYS 27 3.918 -7.306 -3.379 222 HD2 LYS 27 2HD LYS 27 4.798 -5.701 -0.986 223 HD3 LYS 27 3HD LYS 27 3.252 -5.555 -1.823 224 HE2 LYS 27 2HE LYS 27 4.259 -8.013 -0.394 225 HE3 LYS 27 3HE LYS 27 3.067 -6.879 0.229 226 HZ1 LYS 27 3HZ LYS 27 1.592 -7.475 -1.591 227 HZ2 LYS 27 1HZ LYS 27 2.024 -8.847 -0.693 228 HZ3 LYS 27 2HZ LYS 27 2.744 -8.557 -2.200 229 H GLU 28 H GLU 28 7.795 -4.688 -2.755 230 HA GLU 28 HA GLU 28 7.921 -4.372 0.145 231 HB2 GLU 28 2HB GLU 28 10.144 -3.204 -0.097 232 HB3 GLU 28 3HB GLU 28 10.176 -4.949 -0.305 233 HG2 GLU 28 2HG GLU 28 10.234 -4.660 -2.725 234 HG3 GLU 28 3HG GLU 28 10.198 -2.909 -2.518 235 H ILE 29 H ILE 29 8.571 -1.997 0.627 236 HA ILE 29 HA ILE 29 7.117 -0.225 -1.232 237 HB ILE 29 HB ILE 29 7.318 0.130 1.766 238 HG12 ILE 29 2HG1 ILE 29 5.000 -0.938 0.135 239 HG13 ILE 29 3HG1 ILE 29 6.016 -1.895 1.207 240 HG21 ILE 29 1HG2 ILE 29 6.990 2.182 0.475 241 HG22 ILE 29 2HG2 ILE 29 5.562 1.792 1.430 242 HG23 ILE 29 3HG2 ILE 29 5.578 1.471 -0.305 243 HD11 ILE 29 3HD1 ILE 29 3.869 -1.332 2.225 244 HD12 ILE 29 1HD1 ILE 29 4.244 0.383 2.060 245 HD13 ILE 29 2HD1 ILE 29 5.221 -0.634 3.118 246 H ASN 30 H ASN 30 8.402 1.267 -2.121 247 HA ASN 30 HA ASN 30 10.826 2.078 -0.646 248 HB2 ASN 30 2HB ASN 30 10.637 1.363 -3.578 249 HB3 ASN 30 3HB ASN 30 12.037 2.117 -2.827 250 HD21 ASN 30 1HD2 ASN 30 11.751 -0.456 -4.189 251 HD22 ASN 30 2HD2 ASN 30 12.286 -1.660 -3.061 252 H ARG 31 H ARG 31 11.785 4.108 -1.437 253 HA ARG 31 HA ARG 31 9.717 5.968 -2.364 254 HB2 ARG 31 2HB ARG 31 12.455 6.522 -1.203 255 HB3 ARG 31 3HB ARG 31 11.297 7.750 -1.696 256 HG2 ARG 31 2HG ARG 31 9.706 6.732 -0.013 257 HG3 ARG 31 3HG ARG 31 11.088 5.811 0.586 258 HD2 ARG 31 2HD ARG 31 10.840 7.793 1.921 259 HD3 ARG 31 3HD ARG 31 12.296 7.945 0.939 260 HE ARG 31 HE ARG 31 9.973 9.121 -0.275 261 HH11 ARG 31 1HH1 ARG 31 12.644 9.651 1.917 262 HH12 ARG 31 2HH1 ARG 31 12.572 11.383 1.798 263 HH21 ARG 31 1HH2 ARG 31 9.877 11.389 -0.463 264 HH22 ARG 31 2HH2 ARG 31 10.989 12.379 0.438 265 H VAL 32 H VAL 32 9.655 6.484 -4.426 266 HA VAL 32 HA VAL 32 12.081 6.054 -6.047 267 HB VAL 32 HB VAL 32 9.201 5.804 -6.940 268 HG11 VAL 32 1HG1 VAL 32 11.783 5.174 -8.364 269 HG12 VAL 32 2HG1 VAL 32 10.683 6.501 -8.737 270 HG13 VAL 32 3HG1 VAL 32 10.167 4.831 -8.975 271 HG21 VAL 32 3HG2 VAL 32 9.818 4.001 -5.410 272 HG22 VAL 32 1HG2 VAL 32 11.244 3.653 -6.387 273 HG23 VAL 32 2HG2 VAL 32 9.634 3.398 -7.057 274 H SER 33 H SER 33 12.814 7.696 -7.246 275 HA SER 33 HA SER 33 11.337 10.212 -7.225 276 HB2 SER 33 2HB SER 33 13.547 11.044 -8.258 277 HB3 SER 33 3HB SER 33 13.589 10.513 -6.577 278 HG SER 33 HG SER 33 15.142 9.254 -7.248 279 H PHE 34 H PHE 34 10.003 10.603 -8.868 280 HA PHE 34 HA PHE 34 10.432 9.229 -11.411 281 HB2 PHE 34 2HB PHE 34 8.036 10.752 -10.367 282 HB3 PHE 34 3HB PHE 34 8.106 9.925 -11.920 283 HD1 PHE 34 HD1 PHE 34 8.231 7.459 -11.997 284 HD2 PHE 34 HD2 PHE 34 7.663 9.569 -8.345 285 HE1 PHE 34 HE1 PHE 34 7.457 5.383 -10.924 286 HE2 PHE 34 HE2 PHE 34 6.891 7.498 -7.263 287 HZ PHE 34 HZ PHE 34 6.786 5.403 -8.553 288 H ASN 35 H ASN 35 11.497 10.270 -12.938 289 HA ASN 35 HA ASN 35 12.128 11.844 -14.441 290 HB2 ASN 35 2HB ASN 35 9.457 12.906 -13.596 291 HB3 ASN 35 3HB ASN 35 10.465 13.831 -14.706 292 HD21 ASN 35 1HD2 ASN 35 10.884 13.027 -16.750 293 HD22 ASN 35 2HD2 ASN 35 9.917 11.776 -17.449 294 H GLY 36 H GLY 36 12.960 12.140 -11.582 295 HA2 GLY 36 2HA GLY 36 14.693 14.214 -11.758 296 HA3 GLY 36 3HA GLY 36 13.215 14.991 -11.204 297 H ALA 37 H ALA 37 13.266 15.331 -9.082 298 HA ALA 37 HA ALA 37 14.216 13.119 -7.398 299 HB1 ALA 37 3HB ALA 37 15.930 14.856 -7.493 300 HB2 ALA 37 1HB ALA 37 15.251 14.701 -5.873 301 HB3 ALA 37 2HB ALA 37 14.760 16.041 -6.908 302 HA PRO 38 HA PRO 38 10.314 14.479 -5.390 303 HB2 PRO 38 2HB PRO 38 8.290 13.489 -6.942 304 HB3 PRO 38 3HB PRO 38 8.890 15.146 -7.062 305 HG2 PRO 38 2HG PRO 38 9.109 13.020 -8.995 306 HG3 PRO 38 3HG PRO 38 9.637 14.702 -9.146 307 HD2 PRO 38 2HD PRO 38 11.206 12.294 -8.445 308 HD3 PRO 38 3HD PRO 38 11.754 13.843 -9.122 309 H ALA 39 H ALA 39 11.254 12.813 -4.068 310 HA ALA 39 HA ALA 39 10.969 10.053 -4.704 311 HB1 ALA 39 3HB ALA 39 11.894 9.632 -2.509 312 HB2 ALA 39 1HB ALA 39 11.630 11.312 -2.047 313 HB3 ALA 39 2HB ALA 39 12.797 10.919 -3.310 314 H LYS 40 H LYS 40 8.850 9.537 -5.016 315 HA LYS 40 HA LYS 40 6.955 9.972 -2.836 316 HB2 LYS 40 2HB LYS 40 6.554 8.725 -5.562 317 HB3 LYS 40 3HB LYS 40 5.283 9.017 -4.384 318 HG2 LYS 40 2HG LYS 40 5.806 11.445 -4.513 319 HG3 LYS 40 3HG LYS 40 6.933 11.080 -5.822 320 HD2 LYS 40 2HD LYS 40 5.076 10.098 -7.114 321 HD3 LYS 40 3HD LYS 40 3.966 10.534 -5.811 322 HE2 LYS 40 2HE LYS 40 4.618 12.905 -6.119 323 HE3 LYS 40 3HE LYS 40 5.596 12.421 -7.502 324 HZ1 LYS 40 3HZ LYS 40 2.651 12.192 -7.228 325 HZ2 LYS 40 1HZ LYS 40 3.535 11.512 -8.509 326 HZ3 LYS 40 2HZ LYS 40 3.509 13.197 -8.291 327 H PHE 41 H PHE 41 5.399 7.852 -2.695 328 HA PHE 41 HA PHE 41 7.260 5.738 -1.837 329 HB2 PHE 41 2HB PHE 41 4.473 6.267 -0.795 330 HB3 PHE 41 3HB PHE 41 5.688 5.202 -0.095 331 HD1 PHE 41 HD2 PHE 41 7.705 6.187 0.984 332 HD2 PHE 41 HD1 PHE 41 4.437 8.577 -0.324 333 HE1 PHE 41 HE2 PHE 41 8.496 8.035 2.400 334 HE2 PHE 41 HE1 PHE 41 5.227 10.434 1.085 335 HZ PHE 41 HZ PHE 41 7.257 10.164 2.451 336 H ASP 42 H ASP 42 7.212 3.969 -3.075 337 HA ASP 42 HA ASP 42 4.710 3.364 -4.518 338 HB2 ASP 42 2HB ASP 42 6.593 4.113 -5.969 339 HB3 ASP 42 3HB ASP 42 7.538 2.742 -5.401 340 H ILE 43 H ILE 43 3.805 1.457 -4.158 341 HA ILE 43 HA ILE 43 5.333 -0.569 -2.656 342 HB ILE 43 HB ILE 43 2.333 -0.480 -3.025 343 HG12 ILE 43 2HG1 ILE 43 3.964 0.582 -0.704 344 HG13 ILE 43 3HG1 ILE 43 3.069 1.559 -1.863 345 HG21 ILE 43 1HG2 ILE 43 4.105 -1.955 -1.079 346 HG22 ILE 43 2HG2 ILE 43 3.224 -2.653 -2.436 347 HG23 ILE 43 3HG2 ILE 43 2.341 -1.977 -1.067 348 HD11 ILE 43 3HD1 ILE 43 0.981 0.557 -1.088 349 HD12 ILE 43 1HD1 ILE 43 1.855 1.352 0.222 350 HD13 ILE 43 2HD1 ILE 43 1.883 -0.407 0.082 351 H ARG 44 H ARG 44 6.117 -2.166 -3.935 352 HA ARG 44 HA ARG 44 4.529 -3.066 -6.213 353 HB2 ARG 44 2HB ARG 44 5.959 -1.055 -6.856 354 HB3 ARG 44 3HB ARG 44 7.351 -2.098 -6.621 355 HG2 ARG 44 2HG ARG 44 6.606 -3.567 -8.375 356 HG3 ARG 44 3HG ARG 44 5.113 -2.638 -8.557 357 HD2 ARG 44 2HD ARG 44 7.922 -1.691 -9.099 358 HD3 ARG 44 3HD ARG 44 6.653 -1.985 -10.288 359 HE ARG 44 HE ARG 44 6.264 0.067 -8.203 360 HH11 ARG 44 1HH1 ARG 44 6.666 -0.799 -11.571 361 HH12 ARG 44 2HH1 ARG 44 6.190 0.755 -12.174 362 HH21 ARG 44 1HH2 ARG 44 5.610 2.111 -8.962 363 HH22 ARG 44 2HH2 ARG 44 5.582 2.418 -10.676 364 H ALA 45 H ALA 45 5.211 -5.036 -7.117 365 HA ALA 45 HA ALA 45 7.179 -6.543 -5.535 366 HB1 ALA 45 3HB ALA 45 6.124 -8.556 -6.468 367 HB2 ALA 45 1HB ALA 45 5.005 -7.542 -7.380 368 HB3 ALA 45 2HB ALA 45 4.955 -7.546 -5.616 369 H TRP 46 H TRP 46 9.114 -6.870 -6.425 370 HA TRP 46 HA TRP 46 9.427 -7.311 -9.260 371 HB2 TRP 46 2HB TRP 46 10.783 -5.413 -9.759 372 HB3 TRP 46 3HB TRP 46 9.342 -4.785 -8.968 373 HD1 TRP 46 HD1 TRP 46 9.807 -4.489 -6.095 374 HE1 TRP 46 HE1 TRP 46 11.842 -3.328 -5.019 375 HE3 TRP 46 HE3 TRP 46 13.058 -4.745 -10.032 376 HZ2 TRP 46 HZ2 TRP 46 14.473 -2.614 -5.754 377 HZ3 TRP 46 HZ3 TRP 46 15.314 -3.798 -9.765 378 HH2 TRP 46 HH2 TRP 46 16.002 -2.755 -7.671 379 H SER 47 H SER 47 11.535 -8.083 -9.802 380 HA SER 47 HA SER 47 13.671 -7.999 -7.917 381 HB2 SER 47 2HB SER 47 12.401 -10.688 -8.476 382 HB3 SER 47 3HB SER 47 14.021 -10.492 -7.814 383 HG SER 47 HG SER 47 12.538 -9.003 -6.305 384 HA PRO 48 HA PRO 48 15.370 -10.037 -11.890 385 HB2 PRO 48 2HB PRO 48 13.185 -10.688 -13.692 386 HB3 PRO 48 3HB PRO 48 14.406 -11.757 -12.997 387 HG2 PRO 48 2HG PRO 48 11.782 -11.866 -12.310 388 HG3 PRO 48 3HG PRO 48 13.092 -12.300 -11.198 389 HD2 PRO 48 2HD PRO 48 11.519 -9.756 -11.367 390 HD3 PRO 48 3HD PRO 48 12.024 -10.674 -9.931 391 H ASP 49 H ASP 49 15.419 -9.548 -14.387 392 HA ASP 49 HA ASP 49 14.871 -6.689 -14.621 393 HB2 ASP 49 2HB ASP 49 17.127 -7.452 -15.149 394 HB3 ASP 49 3HB ASP 49 16.492 -8.553 -16.368 395 H HIS 50 H HIS 50 14.227 -9.684 -16.419 396 HA HIS 50 HA HIS 50 13.023 -8.300 -18.608 397 HB2 HIS 50 2HB HIS 50 14.249 -10.490 -18.765 398 HB3 HIS 50 3HB HIS 50 12.863 -11.254 -17.994 399 HD1 HIS 50 HD1 HIS 50 11.077 -12.062 -19.537 400 HD2 HIS 50 HD2 HIS 50 13.534 -9.220 -21.313 401 HE1 HIS 50 HE1 HIS 50 10.355 -11.952 -21.941 402 HE2 HIS 50 HE2 HIS 50 11.748 -10.114 -22.957 403 H THR 51 H THR 51 11.081 -7.431 -18.594 404 HA THR 51 HA THR 51 8.858 -7.097 -18.388 405 HB THR 51 HB THR 51 7.423 -9.137 -18.752 406 HG1 THR 51 HG1 THR 51 9.409 -10.450 -17.825 407 HG21 THR 51 3HG2 THR 51 8.176 -9.466 -21.045 408 HG22 THR 51 1HG2 THR 51 9.739 -8.750 -20.649 409 HG23 THR 51 2HG2 THR 51 8.278 -7.763 -20.598 410 H LYS 52 H LYS 52 8.465 -6.248 -16.376 411 HA LYS 52 HA LYS 52 7.409 -8.203 -14.450 412 HB2 LYS 52 2HB LYS 52 8.865 -5.670 -13.754 413 HB3 LYS 52 3HB LYS 52 8.127 -6.770 -12.607 414 HG2 LYS 52 2HG LYS 52 9.664 -8.552 -13.462 415 HG3 LYS 52 3HG LYS 52 10.499 -7.295 -14.377 416 HD2 LYS 52 2HD LYS 52 10.104 -7.287 -11.388 417 HD3 LYS 52 3HD LYS 52 11.581 -7.791 -12.212 418 HE2 LYS 52 2HE LYS 52 10.326 -5.058 -12.399 419 HE3 LYS 52 3HE LYS 52 11.690 -5.477 -11.368 420 HZ1 LYS 52 3HZ LYS 52 12.568 -4.494 -13.312 421 HZ2 LYS 52 1HZ LYS 52 11.603 -5.448 -14.337 422 HZ3 LYS 52 2HZ LYS 52 12.867 -6.157 -13.451 423 H MET 53 H MET 53 5.375 -8.004 -14.262 424 HA MET 53 HA MET 53 4.121 -5.477 -13.643 425 HB2 MET 53 2HB MET 53 3.241 -7.137 -16.018 426 HB3 MET 53 3HB MET 53 2.223 -5.926 -15.253 427 HG2 MET 53 2HG MET 53 3.921 -4.219 -15.805 428 HG3 MET 53 3HG MET 53 4.835 -5.455 -16.666 429 HE1 MET 53 3HE MET 53 2.198 -6.466 -19.447 430 HE2 MET 53 1HE MET 53 2.289 -7.145 -17.823 431 HE3 MET 53 2HE MET 53 3.767 -6.849 -18.737 432 H GLY 54 H GLY 54 2.682 -5.826 -12.039 433 HA2 GLY 54 2HA GLY 54 0.827 -7.745 -11.682 434 HA3 GLY 54 3HA GLY 54 2.296 -8.568 -11.180 435 H LYS 55 H LYS 55 0.267 -5.769 -10.579 436 HA LYS 55 HA LYS 55 -0.375 -4.738 -8.685 437 HB2 LYS 55 2HB LYS 55 0.647 -7.303 -7.640 438 HB3 LYS 55 3HB LYS 55 0.555 -5.990 -6.475 439 HG2 LYS 55 2HG LYS 55 -1.472 -7.301 -6.421 440 HG3 LYS 55 3HG LYS 55 -1.807 -5.675 -7.016 441 HD2 LYS 55 2HD LYS 55 -1.665 -6.627 -9.347 442 HD3 LYS 55 3HD LYS 55 -1.637 -8.230 -8.607 443 HE2 LYS 55 2HE LYS 55 -3.818 -6.161 -8.335 444 HE3 LYS 55 3HE LYS 55 -3.899 -7.651 -9.274 445 HZ1 LYS 55 3HZ LYS 55 -3.559 -7.511 -6.328 446 HZ2 LYS 55 1HZ LYS 55 -3.713 -8.923 -7.251 447 HZ3 LYS 55 2HZ LYS 55 -5.017 -7.845 -7.120 448 H GLY 56 H GLY 56 0.679 -2.883 -8.906 449 HA2 GLY 56 2HA GLY 56 2.750 -2.276 -7.033 450 HA3 GLY 56 3HA GLY 56 3.337 -2.263 -8.696 451 H ILE 57 H ILE 57 2.209 -0.291 -6.344 452 HA ILE 57 HA ILE 57 1.219 1.658 -8.274 453 HB ILE 57 HB ILE 57 -0.780 0.409 -7.511 454 HG12 ILE 57 2HG1 ILE 57 -0.720 3.250 -6.468 455 HG13 ILE 57 3HG1 ILE 57 -0.897 2.812 -8.164 456 HG21 ILE 57 1HG2 ILE 57 -0.075 -0.228 -5.298 457 HG22 ILE 57 2HG2 ILE 57 -1.570 0.700 -5.195 458 HG23 ILE 57 3HG2 ILE 57 -0.031 1.460 -4.787 459 HD11 ILE 57 3HD1 ILE 57 -3.037 3.361 -7.159 460 HD12 ILE 57 1HD1 ILE 57 -2.807 2.098 -5.949 461 HD13 ILE 57 2HD1 ILE 57 -2.988 1.667 -7.650 462 H THR 58 H THR 58 1.488 3.766 -7.670 463 HA THR 58 HA THR 58 3.281 4.210 -5.424 464 HB THR 58 HB THR 58 2.408 6.300 -7.408 465 HG1 THR 58 HG1 THR 58 4.231 4.141 -7.766 466 HG21 THR 58 3HG2 THR 58 4.625 7.216 -6.970 467 HG22 THR 58 1HG2 THR 58 4.992 5.857 -5.909 468 HG23 THR 58 2HG2 THR 58 3.732 7.008 -5.464 469 H LEU 59 H LEU 59 2.851 5.522 -3.714 470 HA LEU 59 HA LEU 59 0.144 6.683 -3.528 471 HB2 LEU 59 2HB LEU 59 1.947 5.774 -1.277 472 HB3 LEU 59 3HB LEU 59 0.337 6.441 -1.102 473 HG LEU 59 HG LEU 59 1.030 3.795 -2.380 474 HD11 LEU 59 1HD1 LEU 59 -0.372 4.453 0.205 475 HD12 LEU 59 2HD1 LEU 59 1.255 3.791 0.046 476 HD13 LEU 59 3HD1 LEU 59 -0.140 2.838 -0.464 477 HD21 LEU 59 3HD2 LEU 59 -0.895 4.837 -3.467 478 HD22 LEU 59 1HD2 LEU 59 -1.661 5.066 -1.895 479 HD23 LEU 59 2HD2 LEU 59 -1.380 3.437 -2.510 480 H SER 60 H SER 60 -0.043 8.804 -2.890 481 HA SER 60 HA SER 60 2.327 10.417 -3.185 482 HB2 SER 60 2HB SER 60 -0.058 10.959 -4.022 483 HB3 SER 60 3HB SER 60 -0.393 11.422 -2.354 484 HG SER 60 HG SER 60 0.744 13.185 -2.604 485 H ASN 61 H ASN 61 2.785 12.171 -1.584 486 HA ASN 61 HA ASN 61 3.561 11.047 0.846 487 HB2 ASN 61 2HB ASN 61 4.535 13.075 -0.310 488 HB3 ASN 61 3HB ASN 61 3.184 14.002 0.322 489 HD21 ASN 61 1HD2 ASN 61 6.109 14.151 0.750 490 HD22 ASN 61 2HD2 ASN 61 6.317 14.095 2.469 491 H GLU 62 H GLU 62 0.847 13.208 0.106 492 HA GLU 62 HA GLU 62 -0.124 13.467 2.742 493 HB2 GLU 62 2HB GLU 62 -1.927 13.510 0.335 494 HB3 GLU 62 3HB GLU 62 -2.046 14.453 1.813 495 HG2 GLU 62 2HG GLU 62 -1.292 16.060 0.400 496 HG3 GLU 62 3HG GLU 62 0.256 15.424 0.954 497 H GLU 63 H GLU 63 -0.978 11.221 0.139 498 HA GLU 63 HA GLU 63 -3.067 9.896 1.488 499 HB2 GLU 63 2HB GLU 63 -1.226 8.740 -0.616 500 HB3 GLU 63 3HB GLU 63 -2.847 8.187 -0.215 501 HG2 GLU 63 2HG GLU 63 -3.795 10.240 -1.071 502 HG3 GLU 63 3HG GLU 63 -2.182 10.880 -1.387 503 H PHE 64 H PHE 64 0.392 9.352 1.311 504 HA PHE 64 HA PHE 64 0.477 6.862 2.619 505 HB2 PHE 64 2HB PHE 64 2.288 8.345 1.305 506 HB3 PHE 64 3HB PHE 64 2.749 8.747 2.956 507 HD1 PHE 64 HD1 PHE 64 1.935 5.762 0.884 508 HD2 PHE 64 HD2 PHE 64 4.315 7.431 3.982 509 HE1 PHE 64 HE1 PHE 64 3.233 3.675 1.002 510 HE2 PHE 64 HE2 PHE 64 5.617 5.350 4.113 511 HZ PHE 64 HZ PHE 64 5.079 3.469 2.619 512 H GLN 65 H GLN 65 1.080 10.151 3.872 513 HA GLN 65 HA GLN 65 1.354 9.474 6.565 514 HB2 GLN 65 2HB GLN 65 0.815 11.923 5.036 515 HB3 GLN 65 3HB GLN 65 0.193 11.947 6.683 516 HG2 GLN 65 2HG GLN 65 3.030 11.236 5.985 517 HG3 GLN 65 3HG GLN 65 2.500 12.867 6.391 518 HE21 GLN 65 1HE2 GLN 65 4.361 11.004 7.745 519 HE22 GLN 65 2HE2 GLN 65 3.780 10.870 9.365 520 H THR 66 H THR 66 -1.523 10.024 4.636 521 HA THR 66 HA THR 66 -3.437 10.160 6.663 522 HB THR 66 HB THR 66 -3.667 9.069 3.852 523 HG1 THR 66 HG1 THR 66 -3.154 11.252 3.864 524 HG21 THR 66 3HG2 THR 66 -5.500 8.211 5.227 525 HG22 THR 66 1HG2 THR 66 -6.086 9.415 4.079 526 HG23 THR 66 2HG2 THR 66 -5.866 9.848 5.775 527 H MET 67 H MET 67 -2.258 7.305 4.858 528 HA MET 67 HA MET 67 -3.869 5.506 6.366 529 HB2 MET 67 2HB MET 67 -2.745 3.718 5.225 530 HB3 MET 67 3HB MET 67 -3.084 4.996 4.073 531 HG2 MET 67 2HG MET 67 -0.954 4.304 3.514 532 HG3 MET 67 3HG MET 67 -0.671 5.743 4.487 533 HE1 MET 67 3HE MET 67 2.345 3.292 5.248 534 HE2 MET 67 1HE MET 67 1.887 4.865 4.592 535 HE3 MET 67 2HE MET 67 1.449 3.392 3.730 536 H VAL 68 H VAL 68 -0.738 6.911 6.850 537 HA VAL 68 HA VAL 68 0.331 5.114 8.703 538 HB VAL 68 HB VAL 68 0.623 8.124 8.625 539 HG11 VAL 68 1HG1 VAL 68 2.590 7.817 10.049 540 HG12 VAL 68 2HG1 VAL 68 2.234 6.094 10.174 541 HG13 VAL 68 3HG1 VAL 68 1.125 7.277 10.867 542 HG21 VAL 68 3HG2 VAL 68 1.450 6.951 6.648 543 HG22 VAL 68 1HG2 VAL 68 2.437 5.913 7.679 544 HG23 VAL 68 2HG2 VAL 68 2.768 7.643 7.592 545 H ASP 69 H ASP 69 -1.611 8.045 9.366 546 HA ASP 69 HA ASP 69 -1.879 7.545 12.121 547 HB2 ASP 69 2HB ASP 69 -2.326 9.737 11.103 548 HB3 ASP 69 3HB ASP 69 -3.740 9.074 10.285 549 H ALA 70 H ALA 70 -3.990 6.746 9.395 550 HA ALA 70 HA ALA 70 -6.183 5.753 10.746 551 HB1 ALA 70 3HB ALA 70 -5.093 4.695 8.149 552 HB2 ALA 70 1HB ALA 70 -6.048 6.169 8.317 553 HB3 ALA 70 2HB ALA 70 -6.761 4.606 8.718 554 H PHE 71 H PHE 71 -3.444 3.804 9.486 555 HA PHE 71 HA PHE 71 -4.429 1.494 10.923 556 HB2 PHE 71 2HB PHE 71 -1.867 1.782 9.350 557 HB3 PHE 71 3HB PHE 71 -2.572 0.278 9.928 558 HD1 PHE 71 HD2 PHE 71 -5.164 -0.023 9.086 559 HD2 PHE 71 HD1 PHE 71 -2.125 2.252 7.153 560 HE1 PHE 71 HE2 PHE 71 -6.353 -0.243 6.957 561 HE2 PHE 71 HE1 PHE 71 -3.318 2.029 5.019 562 HZ PHE 71 HZ PHE 71 -5.428 0.776 4.918 563 H LYS 72 H LYS 72 -2.661 4.143 11.835 564 HA LYS 72 HA LYS 72 -0.912 2.830 13.714 565 HB2 LYS 72 2HB LYS 72 -0.261 5.022 13.036 566 HB3 LYS 72 3HB LYS 72 -1.850 5.682 13.394 567 HG2 LYS 72 2HG LYS 72 -1.414 5.213 15.807 568 HG3 LYS 72 3HG LYS 72 0.233 4.763 15.360 569 HD2 LYS 72 2HD LYS 72 -0.157 7.157 16.161 570 HD3 LYS 72 3HD LYS 72 0.760 6.939 14.670 571 HE2 LYS 72 2HE LYS 72 -1.125 7.485 13.339 572 HE3 LYS 72 3HE LYS 72 -2.200 7.462 14.735 573 HZ1 LYS 72 3HZ LYS 72 -1.705 9.713 14.107 574 HZ2 LYS 72 1HZ LYS 72 -0.032 9.430 14.201 575 HZ3 LYS 72 2HZ LYS 72 -0.985 9.394 15.607 576 H GLY 73 H GLY 73 -4.150 3.884 13.523 577 HA2 GLY 73 2HA GLY 73 -4.608 3.095 16.336 578 HA3 GLY 73 3HA GLY 73 -5.676 4.141 15.407 579 H ASN 74 H ASN 74 -4.353 1.403 13.809 580 HA ASN 74 HA ASN 74 -6.660 -0.282 14.336 581 HB2 ASN 74 2HB ASN 74 -7.376 1.246 12.497 582 HB3 ASN 74 3HB ASN 74 -6.014 0.691 11.535 583 HD21 ASN 74 1HD2 ASN 74 -8.964 0.560 11.146 584 HD22 ASN 74 2HD2 ASN 74 -9.293 -1.108 10.834 585 H LEU 75 H LEU 75 -5.950 -2.282 14.527 586 HA LEU 75 HA LEU 75 -4.754 -4.193 14.304 587 HB2 LEU 75 2HB LEU 75 -4.852 -3.879 11.892 588 HB3 LEU 75 3HB LEU 75 -3.478 -2.796 11.950 589 HG LEU 75 HG LEU 75 -2.046 -4.663 12.686 590 HD11 LEU 75 1HD1 LEU 75 -4.513 -6.344 12.259 591 HD12 LEU 75 2HD1 LEU 75 -3.741 -6.004 13.808 592 HD13 LEU 75 3HD1 LEU 75 -2.890 -6.950 12.590 593 HD21 LEU 75 3HD2 LEU 75 -3.601 -5.180 10.151 594 HD22 LEU 75 1HD2 LEU 75 -2.031 -5.877 10.551 595 HD23 LEU 75 2HD2 LEU 75 -2.191 -4.136 10.320 596 H GLU 76 H GLU 76 -2.417 -1.664 13.396 597 HA GLU 76 HA GLU 76 -0.432 -1.004 14.268 598 HB2 GLU 76 2HB GLU 76 -1.600 -2.072 16.842 599 HB3 GLU 76 3HB GLU 76 -0.135 -1.111 16.732 600 HG2 GLU 76 2HG GLU 76 -1.401 0.769 15.892 601 HG3 GLU 76 3HG GLU 76 -2.878 -0.198 15.900 602 H HIS 77 H HIS 77 -0.769 -3.635 16.539 603 HA HIS 77 HA HIS 77 0.733 -5.637 15.382 604 HB2 HIS 77 2HB HIS 77 2.548 -3.867 15.344 605 HB3 HIS 77 3HB HIS 77 2.492 -3.862 17.101 606 HD1 HIS 77 HD1 HIS 77 5.085 -4.563 15.635 607 HD2 HIS 77 HD2 HIS 77 2.297 -7.390 16.885 608 HE1 HIS 77 HE1 HIS 77 6.355 -6.724 15.861 609 HE2 HIS 77 HE2 HIS 77 4.698 -8.341 16.860 610 H HIS 78 H HIS 78 0.643 -3.759 18.397 611 HA HIS 78 HA HIS 78 0.147 -6.276 19.809 612 HB2 HIS 78 2HB HIS 78 0.858 -5.158 21.870 613 HB3 HIS 78 3HB HIS 78 2.108 -5.102 20.638 614 HD1 HIS 78 HD1 HIS 78 2.618 -2.722 19.591 615 HD2 HIS 78 HD2 HIS 78 -0.015 -2.724 22.812 616 HE1 HIS 78 HE1 HIS 78 2.493 -0.340 20.367 617 HE2 HIS 78 HE2 HIS 78 1.121 -0.429 22.472 618 H HIS 79 H HIS 79 -0.935 -2.860 19.994 619 HA HIS 79 HA HIS 79 -2.722 -1.946 21.075 620 HB2 HIS 79 2HB HIS 79 -3.562 -2.732 18.796 621 HB3 HIS 79 3HB HIS 79 -4.323 -4.071 19.637 622 HD1 HIS 79 HD1 HIS 79 -4.581 -0.422 19.019 623 HD2 HIS 79 HD2 HIS 79 -6.576 -3.343 21.217 624 HE1 HIS 79 HE1 HIS 79 -6.754 0.623 19.732 625 HE2 HIS 79 HE2 HIS 79 -7.855 -1.088 21.217 626 H HIS 80 H HIS 80 -4.503 -4.943 21.086 627 HA HIS 80 HA HIS 80 -3.574 -5.663 23.739 628 HB2 HIS 80 2HB HIS 80 -6.471 -5.087 23.088 629 HB3 HIS 80 3HB HIS 80 -5.993 -6.106 24.440 630 HD1 HIS 80 HD1 HIS 80 -4.796 -4.929 26.450 631 HD2 HIS 80 HD2 HIS 80 -6.150 -2.359 23.470 632 HE1 HIS 80 HE1 HIS 80 -4.666 -2.615 27.431 633 HE2 HIS 80 HE2 HIS 80 -5.287 -1.068 25.537 634 H HIS 81 H HIS 81 -2.583 -7.388 22.769 635 HA HIS 81 HA HIS 81 -3.983 -8.998 20.834 636 HB2 HIS 81 2HB HIS 81 -1.911 -10.243 20.619 637 HB3 HIS 81 3HB HIS 81 -1.579 -8.519 20.586 638 HD1 HIS 81 HD1 HIS 81 -0.642 -11.621 22.280 639 HD2 HIS 81 HD2 HIS 81 -0.418 -7.542 23.089 640 HE1 HIS 81 HE1 HIS 81 1.051 -11.384 24.122 641 HE2 HIS 81 HE2 HIS 81 1.211 -8.910 24.568 642 H HIS 82 H HIS 82 -4.150 -11.322 20.971 643 HA HIS 82 HA HIS 82 -4.420 -12.362 23.704 644 HB2 HIS 82 2HB HIS 82 -6.654 -11.593 22.882 645 HB3 HIS 82 3HB HIS 82 -6.504 -12.716 21.534 646 HD1 HIS 82 HD1 HIS 82 -6.598 -15.294 22.139 647 HD2 HIS 82 HD2 HIS 82 -7.513 -12.686 25.249 648 HE1 HIS 82 HE1 HIS 82 -7.720 -16.699 23.895 649 HE2 HIS 82 HE2 HIS 82 -8.481 -15.055 25.648 650 H1 MET 1 1H MET 1 -20.566 -24.672 -19.569 651 H2 MET 1 2H MET 1 -22.129 -24.373 -18.990 652 H3 MET 1 3H MET 1 -21.542 -25.962 -19.060 653 HA MET 1 HA MET 1 -20.574 -23.782 -17.310 654 HB2 MET 1 2HB MET 1 -22.027 -26.374 -16.759 655 HB3 MET 1 3HB MET 1 -21.252 -25.415 -15.505 656 HG2 MET 1 2HG MET 1 -22.721 -23.547 -15.999 657 HG3 MET 1 3HG MET 1 -23.467 -24.465 -17.306 658 HE1 MET 1 3HE MET 1 -23.656 -27.379 -16.044 659 HE2 MET 1 1HE MET 1 -24.961 -26.609 -16.947 660 HE3 MET 1 2HE MET 1 -25.284 -27.331 -15.369 661 H LYS 2 H LYS 2 -18.616 -23.973 -16.474 662 HA LYS 2 HA LYS 2 -16.857 -25.978 -17.555 663 HB2 LYS 2 2HB LYS 2 -16.332 -23.506 -17.168 664 HB3 LYS 2 3HB LYS 2 -16.186 -23.911 -15.468 665 HG2 LYS 2 2HG LYS 2 -14.415 -25.559 -16.095 666 HG3 LYS 2 3HG LYS 2 -14.495 -24.924 -17.738 667 HD2 LYS 2 2HD LYS 2 -13.698 -23.455 -15.232 668 HD3 LYS 2 3HD LYS 2 -12.691 -23.830 -16.630 669 HE2 LYS 2 2HE LYS 2 -15.067 -21.968 -16.599 670 HE3 LYS 2 3HE LYS 2 -13.373 -21.481 -16.619 671 HZ1 LYS 2 3HZ LYS 2 -13.147 -22.584 -18.779 672 HZ2 LYS 2 1HZ LYS 2 -14.313 -21.354 -18.816 673 HZ3 LYS 2 2HZ LYS 2 -14.798 -22.973 -18.759 674 H LYS 3 H LYS 3 -17.049 -24.836 -14.251 675 HA LYS 3 HA LYS 3 -17.652 -27.433 -13.170 676 HB2 LYS 3 2HB LYS 3 -14.927 -26.197 -12.872 677 HB3 LYS 3 3HB LYS 3 -15.597 -27.171 -11.574 678 HG2 LYS 3 2HG LYS 3 -15.841 -29.050 -13.158 679 HG3 LYS 3 3HG LYS 3 -15.056 -28.066 -14.397 680 HD2 LYS 3 2HD LYS 3 -13.056 -27.902 -13.009 681 HD3 LYS 3 3HD LYS 3 -13.844 -28.850 -11.747 682 HE2 LYS 3 2HE LYS 3 -12.315 -30.218 -13.083 683 HE3 LYS 3 3HE LYS 3 -13.984 -30.760 -13.250 684 HZ1 LYS 3 3HZ LYS 3 -12.651 -28.960 -15.193 685 HZ2 LYS 3 1HZ LYS 3 -14.140 -29.744 -15.374 686 HZ3 LYS 3 2HZ LYS 3 -12.703 -30.644 -15.367 687 H MET 4 H MET 4 -17.064 -26.986 -10.528 688 HA MET 4 HA MET 4 -18.738 -24.653 -9.969 689 HB2 MET 4 2HB MET 4 -17.965 -27.002 -8.230 690 HB3 MET 4 3HB MET 4 -18.926 -25.638 -7.671 691 HG2 MET 4 2HG MET 4 -20.533 -26.175 -9.550 692 HG3 MET 4 3HG MET 4 -19.645 -27.683 -9.747 693 HE1 MET 4 3HE MET 4 -19.483 -29.553 -7.892 694 HE2 MET 4 1HE MET 4 -20.242 -29.441 -6.303 695 HE3 MET 4 2HE MET 4 -18.891 -28.381 -6.713 696 H ALA 5 H ALA 5 -17.920 -24.221 -7.300 697 HA ALA 5 HA ALA 5 -16.608 -22.754 -6.189 698 HB1 ALA 5 3HB ALA 5 -14.833 -24.454 -6.435 699 HB2 ALA 5 1HB ALA 5 -14.201 -22.806 -6.445 700 HB3 ALA 5 2HB ALA 5 -14.352 -23.703 -7.955 701 H GLU 6 H GLU 6 -17.721 -21.001 -6.899 702 HA GLU 6 HA GLU 6 -17.543 -19.904 -9.480 703 HB2 GLU 6 2HB GLU 6 -18.639 -17.886 -8.390 704 HB3 GLU 6 3HB GLU 6 -19.493 -19.417 -8.256 705 HG2 GLU 6 2HG GLU 6 -18.508 -19.677 -5.981 706 HG3 GLU 6 3HG GLU 6 -17.860 -18.044 -6.135 707 H PHE 7 H PHE 7 -15.864 -19.089 -6.497 708 HA PHE 7 HA PHE 7 -14.155 -17.698 -5.999 709 HB2 PHE 7 2HB PHE 7 -12.994 -19.213 -7.566 710 HB3 PHE 7 3HB PHE 7 -13.365 -18.098 -8.871 711 HD1 PHE 7 HD2 PHE 7 -11.911 -17.930 -5.449 712 HD2 PHE 7 HD1 PHE 7 -11.653 -16.720 -9.518 713 HE1 PHE 7 HE2 PHE 7 -9.866 -16.661 -4.938 714 HE2 PHE 7 HE1 PHE 7 -9.607 -15.448 -9.016 715 HZ PHE 7 HZ PHE 7 -8.710 -15.418 -6.721 716 H THR 8 H THR 8 -15.429 -15.976 -5.655 717 HA THR 8 HA THR 8 -15.344 -13.872 -7.701 718 HB THR 8 HB THR 8 -17.651 -14.772 -7.364 719 HG1 THR 8 HG1 THR 8 -18.595 -12.688 -7.104 720 HG21 THR 8 3HG2 THR 8 -18.847 -14.247 -5.295 721 HG22 THR 8 1HG2 THR 8 -17.357 -13.621 -4.588 722 HG23 THR 8 2HG2 THR 8 -17.490 -15.333 -4.988 723 H PHE 9 H PHE 9 -15.402 -11.662 -6.746 724 HA PHE 9 HA PHE 9 -13.953 -11.649 -4.190 725 HB2 PHE 9 2HB PHE 9 -13.094 -9.399 -4.928 726 HB3 PHE 9 3HB PHE 9 -12.533 -10.759 -5.887 727 HD1 PHE 9 HD1 PHE 9 -13.246 -11.038 -8.185 728 HD2 PHE 9 HD2 PHE 9 -14.594 -7.741 -5.853 729 HE1 PHE 9 HE1 PHE 9 -13.993 -9.898 -10.235 730 HE2 PHE 9 HE2 PHE 9 -15.348 -6.601 -7.897 731 HZ PHE 9 HZ PHE 9 -15.047 -7.677 -10.090 732 H GLU 10 H GLU 10 -14.795 -10.671 -2.505 733 HA GLU 10 HA GLU 10 -17.243 -9.079 -2.898 734 HB2 GLU 10 2HB GLU 10 -16.380 -10.978 -0.741 735 HB3 GLU 10 3HB GLU 10 -17.566 -9.726 -0.396 736 HG2 GLU 10 2HG GLU 10 -17.879 -11.696 -2.640 737 HG3 GLU 10 3HG GLU 10 -18.485 -11.986 -1.008 738 H ILE 11 H ILE 11 -17.035 -6.968 -2.492 739 HA ILE 11 HA ILE 11 -14.864 -6.043 -0.768 740 HB ILE 11 HB ILE 11 -16.967 -4.312 -2.078 741 HG12 ILE 11 2HG1 ILE 11 -15.867 -5.628 -3.832 742 HG13 ILE 11 3HG1 ILE 11 -15.388 -3.940 -3.923 743 HG21 ILE 11 1HG2 ILE 11 -15.699 -3.245 -0.306 744 HG22 ILE 11 2HG2 ILE 11 -15.245 -2.565 -1.869 745 HG23 ILE 11 3HG2 ILE 11 -14.182 -3.723 -1.068 746 HD11 ILE 11 3HD1 ILE 11 -13.283 -4.502 -2.790 747 HD12 ILE 11 1HD1 ILE 11 -13.492 -5.368 -4.311 748 HD13 ILE 11 2HD1 ILE 11 -13.767 -6.198 -2.779 749 H GLU 12 H GLU 12 -15.515 -6.745 1.270 750 HA GLU 12 HA GLU 12 -18.223 -6.221 2.130 751 HB2 GLU 12 2HB GLU 12 -17.555 -7.349 4.226 752 HB3 GLU 12 3HB GLU 12 -17.269 -8.322 2.794 753 HG2 GLU 12 2HG GLU 12 -14.904 -7.808 2.883 754 HG3 GLU 12 3HG GLU 12 -15.170 -6.748 4.270 755 H GLU 13 H GLU 13 -15.019 -4.921 2.720 756 HA GLU 13 HA GLU 13 -16.165 -2.575 3.921 757 HB2 GLU 13 2HB GLU 13 -16.115 -4.033 5.867 758 HB3 GLU 13 3HB GLU 13 -14.425 -4.416 5.568 759 HG2 GLU 13 2HG GLU 13 -13.847 -2.058 5.957 760 HG3 GLU 13 3HG GLU 13 -15.538 -1.726 6.326 761 H HIS 14 H HIS 14 -14.863 -0.835 3.744 762 HA HIS 14 HA HIS 14 -12.125 -1.294 2.778 763 HB2 HIS 14 2HB HIS 14 -12.173 0.925 1.820 764 HB3 HIS 14 3HB HIS 14 -13.601 0.053 1.283 765 HD1 HIS 14 HD1 HIS 14 -13.050 3.252 1.593 766 HD2 HIS 14 HD2 HIS 14 -15.525 0.835 3.914 767 HE1 HIS 14 HE1 HIS 14 -14.751 4.798 2.626 768 HE2 HIS 14 HE2 HIS 14 -16.097 3.347 4.178 769 H LEU 15 H LEU 15 -10.376 -0.285 3.834 770 HA LEU 15 HA LEU 15 -10.806 0.077 6.638 771 HB2 LEU 15 2HB LEU 15 -8.318 0.554 4.998 772 HB3 LEU 15 3HB LEU 15 -8.386 0.607 6.746 773 HG LEU 15 HG LEU 15 -7.466 -1.468 6.290 774 HD11 LEU 15 1HD1 LEU 15 -10.410 -1.977 6.568 775 HD12 LEU 15 2HD1 LEU 15 -9.248 -1.752 7.878 776 HD13 LEU 15 3HD1 LEU 15 -9.139 -3.172 6.831 777 HD21 LEU 15 3HD2 LEU 15 -8.279 -3.028 4.627 778 HD22 LEU 15 1HD2 LEU 15 -7.775 -1.492 3.926 779 HD23 LEU 15 2HD2 LEU 15 -9.493 -1.844 4.131 780 H LEU 16 H LEU 16 -9.584 2.188 4.068 781 HA LEU 16 HA LEU 16 -11.124 4.411 4.978 782 HB2 LEU 16 2HB LEU 16 -9.385 5.912 5.593 783 HB3 LEU 16 3HB LEU 16 -9.181 4.466 6.564 784 HG LEU 16 HG LEU 16 -7.613 4.742 4.028 785 HD11 LEU 16 1HD1 LEU 16 -5.834 5.879 5.307 786 HD12 LEU 16 2HD1 LEU 16 -6.961 6.082 6.648 787 HD13 LEU 16 3HD1 LEU 16 -7.275 6.874 5.105 788 HD21 LEU 16 3HD2 LEU 16 -7.529 2.640 5.249 789 HD22 LEU 16 1HD2 LEU 16 -7.057 3.494 6.719 790 HD23 LEU 16 2HD2 LEU 16 -5.972 3.464 5.328 791 H THR 17 H THR 17 -10.917 6.237 3.555 792 HA THR 17 HA THR 17 -9.881 5.496 0.916 793 HB THR 17 HB THR 17 -11.684 7.808 1.679 794 HG1 THR 17 HG1 THR 17 -12.215 5.144 0.833 795 HG21 THR 17 3HG2 THR 17 -10.443 8.140 -0.414 796 HG22 THR 17 1HG2 THR 17 -12.166 7.919 -0.714 797 HG23 THR 17 2HG2 THR 17 -11.043 6.592 -1.012 798 H LEU 18 H LEU 18 -7.980 6.308 0.311 799 HA LEU 18 HA LEU 18 -6.572 8.211 1.885 800 HB2 LEU 18 2HB LEU 18 -5.979 7.282 -0.929 801 HB3 LEU 18 3HB LEU 18 -4.865 8.114 0.138 802 HG LEU 18 HG LEU 18 -5.991 5.346 0.582 803 HD11 LEU 18 1HD1 LEU 18 -4.367 5.429 -1.234 804 HD12 LEU 18 2HD1 LEU 18 -3.703 4.600 0.176 805 HD13 LEU 18 3HD1 LEU 18 -3.220 6.258 -0.181 806 HD21 LEU 18 3HD2 LEU 18 -4.399 5.235 2.442 807 HD22 LEU 18 1HD2 LEU 18 -5.604 6.498 2.690 808 HD23 LEU 18 2HD2 LEU 18 -3.973 6.925 2.174 809 H SER 19 H SER 19 -7.569 8.403 -1.526 810 HA SER 19 HA SER 19 -9.093 10.718 -1.326 811 HB2 SER 19 2HB SER 19 -7.519 12.347 -2.459 812 HB3 SER 19 3HB SER 19 -7.142 11.996 -0.775 813 HG SER 19 HG SER 19 -5.902 10.292 -2.522 814 H GLU 20 H GLU 20 -9.534 11.661 -3.548 815 HA GLU 20 HA GLU 20 -8.995 9.622 -5.584 816 HB2 GLU 20 2HB GLU 20 -10.995 10.319 -6.743 817 HB3 GLU 20 3HB GLU 20 -11.389 9.911 -5.082 818 HG2 GLU 20 2HG GLU 20 -11.495 12.266 -4.508 819 HG3 GLU 20 3HG GLU 20 -11.037 12.697 -6.158 820 H ASN 21 H ASN 21 -8.164 10.188 -7.503 821 HA ASN 21 HA ASN 21 -7.098 12.928 -7.667 822 HB2 ASN 21 2HB ASN 21 -5.961 10.312 -8.677 823 HB3 ASN 21 3HB ASN 21 -5.306 11.886 -9.115 824 HD21 ASN 21 1HD2 ASN 21 -5.694 9.544 -6.568 825 HD22 ASN 21 2HD2 ASN 21 -4.557 10.244 -5.469 826 H GLU 22 H GLU 22 -7.091 13.964 -9.668 827 HA GLU 22 HA GLU 22 -7.877 14.606 -11.696 828 HB2 GLU 22 2HB GLU 22 -8.338 11.652 -12.151 829 HB3 GLU 22 3HB GLU 22 -8.354 12.898 -13.390 830 HG2 GLU 22 2HG GLU 22 -5.997 12.017 -11.742 831 HG3 GLU 22 3HG GLU 22 -6.265 11.726 -13.462 832 H LYS 23 H LYS 23 -9.700 13.757 -9.301 833 HA LYS 23 HA LYS 23 -11.878 13.568 -8.737 834 HB2 LYS 23 2HB LYS 23 -11.886 15.851 -9.778 835 HB3 LYS 23 3HB LYS 23 -12.427 15.110 -11.279 836 HG2 LYS 23 2HG LYS 23 -14.307 16.043 -10.079 837 HG3 LYS 23 3HG LYS 23 -14.435 14.283 -10.130 838 HD2 LYS 23 2HD LYS 23 -13.357 14.257 -7.850 839 HD3 LYS 23 3HD LYS 23 -13.573 16.006 -7.814 840 HE2 LYS 23 2HE LYS 23 -15.746 13.939 -8.082 841 HE3 LYS 23 3HE LYS 23 -15.380 14.881 -6.640 842 HZ1 LYS 23 3HZ LYS 23 -16.410 15.910 -9.229 843 HZ2 LYS 23 1HZ LYS 23 -15.912 16.903 -7.944 844 HZ3 LYS 23 2HZ LYS 23 -17.230 15.854 -7.747 845 H GLY 24 H GLY 24 -12.352 11.455 -8.832 846 HA2 GLY 24 2HA GLY 24 -14.078 10.059 -10.047 847 HA3 GLY 24 3HA GLY 24 -13.076 10.336 -11.466 848 H TRP 25 H TRP 25 -10.543 9.996 -10.505 849 HA TRP 25 HA TRP 25 -10.485 7.127 -10.160 850 HB2 TRP 25 2HB TRP 25 -8.315 9.194 -10.517 851 HB3 TRP 25 3HB TRP 25 -7.970 7.495 -10.218 852 HD1 TRP 25 HD1 TRP 25 -9.563 9.775 -12.893 853 HE1 TRP 25 HE1 TRP 25 -9.444 8.551 -15.159 854 HE3 TRP 25 HE3 TRP 25 -7.759 5.268 -11.281 855 HZ2 TRP 25 HZ2 TRP 25 -8.679 6.008 -16.123 856 HZ3 TRP 25 HZ3 TRP 25 -7.358 3.495 -12.936 857 HH2 TRP 25 HH2 TRP 25 -7.809 3.855 -15.309 858 H THR 26 H THR 26 -11.292 6.809 -8.088 859 HA THR 26 HA THR 26 -10.017 8.191 -5.868 860 HB THR 26 HB THR 26 -12.115 6.017 -5.754 861 HG1 THR 26 HG1 THR 26 -12.400 8.343 -6.853 862 HG21 THR 26 3HG2 THR 26 -10.969 6.432 -3.635 863 HG22 THR 26 1HG2 THR 26 -12.631 7.022 -3.566 864 HG23 THR 26 2HG2 THR 26 -11.299 8.158 -3.784 865 H LYS 27 H LYS 27 -8.581 7.262 -4.443 866 HA LYS 27 HA LYS 27 -7.878 4.449 -4.949 867 HB2 LYS 27 2HB LYS 27 -6.234 6.059 -5.956 868 HB3 LYS 27 3HB LYS 27 -5.903 6.658 -4.338 869 HG2 LYS 27 2HG LYS 27 -5.102 4.451 -3.676 870 HG3 LYS 27 3HG LYS 27 -5.442 3.838 -5.297 871 HD2 LYS 27 2HD LYS 27 -3.081 4.377 -5.069 872 HD3 LYS 27 3HD LYS 27 -3.853 5.462 -6.231 873 HE2 LYS 27 2HE LYS 27 -4.100 7.128 -4.395 874 HE3 LYS 27 3HE LYS 27 -3.150 6.059 -3.362 875 HZ1 LYS 27 3HZ LYS 27 -1.317 6.260 -4.977 876 HZ2 LYS 27 1HZ LYS 27 -1.756 7.754 -4.299 877 HZ3 LYS 27 2HZ LYS 27 -2.240 7.363 -5.876 878 H GLU 28 H GLU 28 -7.844 3.215 -3.174 879 HA GLU 28 HA GLU 28 -7.265 4.342 -0.586 880 HB2 GLU 28 2HB GLU 28 -9.387 3.814 0.439 881 HB3 GLU 28 3HB GLU 28 -9.648 4.918 -0.903 882 HG2 GLU 28 2HG GLU 28 -10.352 3.041 -2.306 883 HG3 GLU 28 3HG GLU 28 -10.109 1.945 -0.944 884 H ILE 29 H ILE 29 -8.002 2.496 1.103 885 HA ILE 29 HA ILE 29 -6.951 -0.046 0.043 886 HB ILE 29 HB ILE 29 -6.539 1.039 2.841 887 HG12 ILE 29 2HG1 ILE 29 -4.561 0.863 0.555 888 HG13 ILE 29 3HG1 ILE 29 -5.320 2.348 1.116 889 HG21 ILE 29 1HG2 ILE 29 -4.932 -0.803 3.053 890 HG22 ILE 29 2HG2 ILE 29 -5.359 -1.358 1.435 891 HG23 ILE 29 3HG2 ILE 29 -6.560 -1.392 2.726 892 HD11 ILE 29 3HD1 ILE 29 -3.080 2.166 1.981 893 HD12 ILE 29 1HD1 ILE 29 -3.451 0.594 2.690 894 HD13 ILE 29 2HD1 ILE 29 -4.246 2.047 3.298 895 H ASN 30 H ASN 30 -8.177 -1.826 0.452 896 HA ASN 30 HA ASN 30 -10.311 -1.629 2.439 897 HB2 ASN 30 2HB ASN 30 -12.078 -2.198 0.922 898 HB3 ASN 30 3HB ASN 30 -11.237 -0.816 0.242 899 HD21 ASN 30 1HD2 ASN 30 -9.008 -2.336 -0.837 900 HD22 ASN 30 2HD2 ASN 30 -9.635 -3.233 -2.170 901 H ARG 31 H ARG 31 -11.611 -3.808 2.376 902 HA ARG 31 HA ARG 31 -9.625 -5.974 2.217 903 HB2 ARG 31 2HB ARG 31 -12.000 -5.612 4.047 904 HB3 ARG 31 3HB ARG 31 -11.141 -7.136 3.885 905 HG2 ARG 31 2HG ARG 31 -9.051 -5.906 4.559 906 HG3 ARG 31 3HG ARG 31 -10.087 -4.535 4.960 907 HD2 ARG 31 2HD ARG 31 -10.416 -7.302 6.113 908 HD3 ARG 31 3HD ARG 31 -9.510 -6.009 6.895 909 HE ARG 31 HE ARG 31 -11.591 -4.783 7.103 910 HH11 ARG 31 1HH1 ARG 31 -11.904 -8.151 6.198 911 HH12 ARG 31 2HH1 ARG 31 -13.509 -8.300 6.829 912 HH21 ARG 31 1HH2 ARG 31 -13.671 -4.978 7.974 913 HH22 ARG 31 2HH2 ARG 31 -14.517 -6.504 7.858 914 H VAL 32 H VAL 32 -9.925 -7.339 0.630 915 HA VAL 32 HA VAL 32 -12.618 -7.618 -0.525 916 HB VAL 32 HB VAL 32 -9.978 -8.336 -1.808 917 HG11 VAL 32 1HG1 VAL 32 -12.739 -8.045 -2.988 918 HG12 VAL 32 2HG1 VAL 32 -11.909 -9.567 -2.674 919 HG13 VAL 32 3HG1 VAL 32 -11.267 -8.443 -3.874 920 HG21 VAL 32 3HG2 VAL 32 -10.096 -5.930 -1.418 921 HG22 VAL 32 1HG2 VAL 32 -11.670 -5.871 -2.212 922 HG23 VAL 32 2HG2 VAL 32 -10.230 -6.300 -3.136 923 H SER 33 H SER 33 -13.656 -9.435 -0.102 924 HA SER 33 HA SER 33 -12.286 -11.741 0.980 925 HB2 SER 33 2HB SER 33 -15.157 -11.884 0.220 926 HB3 SER 33 3HB SER 33 -14.363 -12.387 1.714 927 HG SER 33 HG SER 33 -14.786 -10.497 2.560 928 H PHE 34 H PHE 34 -11.256 -13.052 -0.420 929 HA PHE 34 HA PHE 34 -12.268 -13.325 -3.140 930 HB2 PHE 34 2HB PHE 34 -9.696 -14.256 -1.852 931 HB3 PHE 34 3HB PHE 34 -10.128 -14.580 -3.527 932 HD1 PHE 34 HD2 PHE 34 -10.438 -12.647 -5.093 933 HD2 PHE 34 HD1 PHE 34 -8.732 -12.211 -1.220 934 HE1 PHE 34 HE2 PHE 34 -9.460 -10.494 -5.774 935 HE2 PHE 34 HE1 PHE 34 -7.747 -10.058 -1.893 936 HZ PHE 34 HZ PHE 34 -8.107 -9.198 -4.172 937 H ASN 35 H ASN 35 -13.159 -15.115 -3.952 938 HA ASN 35 HA ASN 35 -13.875 -17.258 -4.219 939 HB2 ASN 35 2HB ASN 35 -11.656 -18.040 -3.556 940 HB3 ASN 35 3HB ASN 35 -12.090 -17.888 -1.858 941 HD21 ASN 35 1HD2 ASN 35 -12.401 -19.773 -4.738 942 HD22 ASN 35 2HD2 ASN 35 -13.159 -21.140 -4.008 943 H GLY 36 H GLY 36 -13.545 -16.935 -0.706 944 HA2 GLY 36 2HA GLY 36 -16.133 -16.408 0.017 945 HA3 GLY 36 3HA GLY 36 -16.088 -18.152 -0.221 946 H ALA 37 H ALA 37 -13.781 -15.823 1.084 947 HA ALA 37 HA ALA 37 -13.709 -17.258 3.633 948 HB1 ALA 37 3HB ALA 37 -11.241 -17.369 3.515 949 HB2 ALA 37 1HB ALA 37 -11.308 -16.747 1.866 950 HB3 ALA 37 2HB ALA 37 -12.009 -18.321 2.245 951 HA PRO 38 HA PRO 38 -12.875 -13.325 5.709 952 HB2 PRO 38 2HB PRO 38 -10.086 -13.710 6.240 953 HB3 PRO 38 3HB PRO 38 -11.438 -13.865 7.362 954 HG2 PRO 38 2HG PRO 38 -9.995 -15.954 5.845 955 HG3 PRO 38 3HG PRO 38 -10.865 -16.076 7.385 956 HD2 PRO 38 2HD PRO 38 -11.871 -17.126 5.139 957 HD3 PRO 38 3HD PRO 38 -12.924 -16.348 6.338 958 H ALA 39 H ALA 39 -12.149 -11.309 5.160 959 HA ALA 39 HA ALA 39 -11.328 -11.074 2.419 960 HB1 ALA 39 3HB ALA 39 -11.863 -8.909 4.444 961 HB2 ALA 39 1HB ALA 39 -13.074 -9.646 3.394 962 HB3 ALA 39 2HB ALA 39 -11.752 -8.711 2.693 963 H LYS 40 H LYS 40 -9.463 -10.292 1.591 964 HA LYS 40 HA LYS 40 -7.233 -9.913 3.466 965 HB2 LYS 40 2HB LYS 40 -7.252 -10.476 0.495 966 HB3 LYS 40 3HB LYS 40 -5.794 -10.163 1.428 967 HG2 LYS 40 2HG LYS 40 -6.283 -12.137 2.810 968 HG3 LYS 40 3HG LYS 40 -7.702 -12.460 1.815 969 HD2 LYS 40 2HD LYS 40 -5.948 -13.875 1.044 970 HD3 LYS 40 3HD LYS 40 -6.174 -12.612 -0.163 971 HE2 LYS 40 2HE LYS 40 -4.113 -12.323 1.992 972 HE3 LYS 40 3HE LYS 40 -3.772 -13.269 0.548 973 HZ1 LYS 40 3HZ LYS 40 -4.208 -11.319 -0.805 974 HZ2 LYS 40 1HZ LYS 40 -3.002 -10.988 0.336 975 HZ3 LYS 40 2HZ LYS 40 -4.570 -10.407 0.578 976 H PHE 41 H PHE 41 -5.748 -8.171 3.093 977 HA PHE 41 HA PHE 41 -7.125 -5.712 2.590 978 HB2 PHE 41 2HB PHE 41 -4.194 -6.219 3.157 979 HB3 PHE 41 3HB PHE 41 -5.012 -4.660 3.240 980 HD1 PHE 41 HD2 PHE 41 -6.724 -4.260 4.991 981 HD2 PHE 41 HD1 PHE 41 -4.316 -7.773 4.938 982 HE1 PHE 41 HE2 PHE 41 -7.295 -4.685 7.348 983 HE2 PHE 41 HE1 PHE 41 -4.886 -8.205 7.291 984 HZ PHE 41 HZ PHE 41 -6.377 -6.661 8.500 985 H ASP 42 H ASP 42 -7.231 -4.629 0.743 986 HA ASP 42 HA ASP 42 -5.283 -5.192 -1.388 987 HB2 ASP 42 2HB ASP 42 -7.346 -6.464 -1.834 988 HB3 ASP 42 3HB ASP 42 -8.296 -4.993 -1.688 989 H ILE 43 H ILE 43 -4.501 -3.403 -2.344 990 HA ILE 43 HA ILE 43 -5.805 -0.824 -1.755 991 HB ILE 43 HB ILE 43 -2.961 -1.311 -2.668 992 HG12 ILE 43 2HG1 ILE 43 -3.991 -0.625 0.095 993 HG13 ILE 43 3HG1 ILE 43 -3.374 -2.199 -0.394 994 HG21 ILE 43 1HG2 ILE 43 -4.325 1.182 -1.649 995 HG22 ILE 43 2HG2 ILE 43 -3.837 0.869 -3.314 996 HG23 ILE 43 3HG2 ILE 43 -2.613 1.040 -2.057 997 HD11 ILE 43 3HD1 ILE 43 -1.707 -0.967 0.850 998 HD12 ILE 43 1HD1 ILE 43 -1.811 0.370 -0.296 999 HD13 ILE 43 2HD1 ILE 43 -1.185 -1.192 -0.820 1000 H ARG 44 H ARG 44 -6.964 -0.034 -3.448 1001 HA ARG 44 HA ARG 44 -5.931 -0.470 -6.141 1002 HB2 ARG 44 2HB ARG 44 -8.065 -1.327 -6.978 1003 HB3 ARG 44 3HB ARG 44 -7.366 -2.398 -5.774 1004 HG2 ARG 44 2HG ARG 44 -8.896 -1.498 -4.089 1005 HG3 ARG 44 3HG ARG 44 -9.602 -0.434 -5.307 1006 HD2 ARG 44 2HD ARG 44 -10.968 -2.437 -4.967 1007 HD3 ARG 44 3HD ARG 44 -10.318 -2.365 -6.605 1008 HE ARG 44 HE ARG 44 -8.614 -3.865 -4.877 1009 HH11 ARG 44 1HH1 ARG 44 -11.628 -4.083 -6.674 1010 HH12 ARG 44 2HH1 ARG 44 -11.528 -5.802 -6.880 1011 HH21 ARG 44 1HH2 ARG 44 -8.493 -6.124 -5.139 1012 HH22 ARG 44 2HH2 ARG 44 -9.751 -6.963 -6.009 1013 H ALA 45 H ALA 45 -7.285 0.641 -7.790 1014 HA ALA 45 HA ALA 45 -8.335 3.164 -6.703 1015 HB1 ALA 45 3HB ALA 45 -6.304 3.403 -8.072 1016 HB2 ALA 45 1HB ALA 45 -7.696 4.205 -8.801 1017 HB3 ALA 45 2HB ALA 45 -7.147 2.651 -9.427 1018 H TRP 46 H TRP 46 -10.204 4.039 -7.600 1019 HA TRP 46 HA TRP 46 -11.907 2.117 -9.040 1020 HB2 TRP 46 2HB TRP 46 -12.752 4.571 -7.482 1021 HB3 TRP 46 3HB TRP 46 -13.815 3.352 -8.169 1022 HD1 TRP 46 HD1 TRP 46 -12.256 4.312 -5.004 1023 HE1 TRP 46 HE1 TRP 46 -12.425 2.421 -3.263 1024 HE3 TRP 46 HE3 TRP 46 -13.562 0.474 -8.122 1025 HZ2 TRP 46 HZ2 TRP 46 -13.017 -0.341 -3.234 1026 HZ3 TRP 46 HZ3 TRP 46 -13.909 -1.762 -7.157 1027 HH2 TRP 46 HH2 TRP 46 -13.642 -2.161 -4.763 1028 H SER 47 H SER 47 -12.389 2.558 -11.090 1029 HA SER 47 HA SER 47 -11.526 5.080 -12.239 1030 HB2 SER 47 2HB SER 47 -12.763 2.668 -13.589 1031 HB3 SER 47 3HB SER 47 -11.940 4.008 -14.385 1032 HG SER 47 HG SER 47 -10.413 2.858 -12.447 1033 HA PRO 48 HA PRO 48 -15.560 7.013 -12.316 1034 HB2 PRO 48 2HB PRO 48 -15.175 8.414 -14.678 1035 HB3 PRO 48 3HB PRO 48 -14.678 8.975 -13.080 1036 HG2 PRO 48 2HG PRO 48 -13.061 7.655 -15.212 1037 HG3 PRO 48 3HG PRO 48 -12.612 8.971 -14.113 1038 HD2 PRO 48 2HD PRO 48 -11.771 6.456 -13.707 1039 HD3 PRO 48 3HD PRO 48 -12.192 7.524 -12.351 1040 H ASP 49 H ASP 49 -17.303 5.892 -12.892 1041 HA ASP 49 HA ASP 49 -18.696 4.464 -13.974 1042 HB2 ASP 49 2HB ASP 49 -18.874 6.120 -15.708 1043 HB3 ASP 49 3HB ASP 49 -17.325 5.654 -16.391 1044 H HIS 50 H HIS 50 -16.271 4.005 -16.457 1045 HA HIS 50 HA HIS 50 -14.571 2.219 -15.237 1046 HB2 HIS 50 2HB HIS 50 -17.067 0.956 -15.783 1047 HB3 HIS 50 3HB HIS 50 -15.874 0.297 -16.904 1048 HD1 HIS 50 HD1 HIS 50 -15.534 -1.975 -15.774 1049 HD2 HIS 50 HD2 HIS 50 -15.018 1.255 -13.195 1050 HE1 HIS 50 HE1 HIS 50 -14.541 -2.929 -13.667 1051 HE2 HIS 50 HE2 HIS 50 -14.180 -0.947 -12.144 1052 H THR 51 H THR 51 -15.039 0.509 -17.945 1053 HA THR 51 HA THR 51 -13.756 0.321 -19.806 1054 HB THR 51 HB THR 51 -13.880 2.230 -21.418 1055 HG1 THR 51 HG1 THR 51 -14.528 3.599 -19.173 1056 HG21 THR 51 3HG2 THR 51 -16.442 1.372 -20.088 1057 HG22 THR 51 1HG2 THR 51 -15.604 0.547 -21.401 1058 HG23 THR 51 2HG2 THR 51 -16.334 2.129 -21.676 1059 H LYS 52 H LYS 52 -12.410 1.235 -17.375 1060 HA LYS 52 HA LYS 52 -9.984 2.339 -18.622 1061 HB2 LYS 52 2HB LYS 52 -11.057 2.939 -15.852 1062 HB3 LYS 52 3HB LYS 52 -9.486 3.447 -16.447 1063 HG2 LYS 52 2HG LYS 52 -12.111 4.290 -17.660 1064 HG3 LYS 52 3HG LYS 52 -11.216 5.225 -16.463 1065 HD2 LYS 52 2HD LYS 52 -9.266 5.183 -18.058 1066 HD3 LYS 52 3HD LYS 52 -10.364 4.502 -19.260 1067 HE2 LYS 52 2HE LYS 52 -10.781 7.130 -17.840 1068 HE3 LYS 52 3HE LYS 52 -10.077 6.965 -19.446 1069 HZ1 LYS 52 3HZ LYS 52 -12.159 5.945 -20.190 1070 HZ2 LYS 52 1HZ LYS 52 -12.403 7.514 -19.599 1071 HZ3 LYS 52 2HZ LYS 52 -12.835 6.181 -18.648 1072 H MET 53 H MET 53 -8.147 1.950 -16.704 1073 HA MET 53 HA MET 53 -8.117 -0.938 -16.434 1074 HB2 MET 53 2HB MET 53 -6.023 1.174 -15.970 1075 HB3 MET 53 3HB MET 53 -5.769 -0.510 -15.529 1076 HG2 MET 53 2HG MET 53 -6.202 -1.132 -17.890 1077 HG3 MET 53 3HG MET 53 -6.283 0.585 -18.285 1078 HE1 MET 53 3HE MET 53 -4.288 -1.550 -19.670 1079 HE2 MET 53 1HE MET 53 -2.823 -0.573 -19.773 1080 HE3 MET 53 2HE MET 53 -4.390 0.149 -20.134 1081 H GLY 54 H GLY 54 -7.013 1.544 -14.135 1082 HA2 GLY 54 2HA GLY 54 -7.774 1.823 -11.911 1083 HA3 GLY 54 3HA GLY 54 -8.610 0.279 -12.030 1084 H LYS 55 H LYS 55 -7.606 -1.556 -11.417 1085 HA LYS 55 HA LYS 55 -6.077 -2.989 -10.583 1086 HB2 LYS 55 2HB LYS 55 -4.101 -1.075 -11.829 1087 HB3 LYS 55 3HB LYS 55 -3.689 -2.657 -11.183 1088 HG2 LYS 55 2HG LYS 55 -5.056 -3.746 -12.832 1089 HG3 LYS 55 3HG LYS 55 -5.646 -2.188 -13.420 1090 HD2 LYS 55 2HD LYS 55 -3.406 -1.586 -14.130 1091 HD3 LYS 55 3HD LYS 55 -2.776 -3.107 -13.495 1092 HE2 LYS 55 2HE LYS 55 -4.843 -2.871 -15.678 1093 HE3 LYS 55 3HE LYS 55 -3.123 -3.130 -15.951 1094 HZ1 LYS 55 3HZ LYS 55 -4.923 -4.968 -14.454 1095 HZ2 LYS 55 1HZ LYS 55 -3.269 -5.216 -14.749 1096 HZ3 LYS 55 2HZ LYS 55 -4.368 -5.201 -16.040 1097 H GLY 56 H GLY 56 -3.654 -2.738 -9.384 1098 HA2 GLY 56 2HA GLY 56 -3.089 -0.790 -7.584 1099 HA3 GLY 56 3HA GLY 56 -4.411 -1.674 -6.828 1100 H ILE 57 H ILE 57 -3.160 -2.521 -5.147 1101 HA ILE 57 HA ILE 57 -1.526 -4.791 -5.972 1102 HB ILE 57 HB ILE 57 0.108 -3.002 -5.614 1103 HG12 ILE 57 2HG1 ILE 57 0.198 -5.022 -3.360 1104 HG13 ILE 57 3HG1 ILE 57 0.612 -5.385 -5.031 1105 HG21 ILE 57 1HG2 ILE 57 -1.146 -1.635 -4.036 1106 HG22 ILE 57 2HG2 ILE 57 0.451 -2.027 -3.398 1107 HG23 ILE 57 3HG2 ILE 57 -0.973 -2.882 -2.802 1108 HD11 ILE 57 3HD1 ILE 57 2.596 -5.014 -3.698 1109 HD12 ILE 57 1HD1 ILE 57 2.016 -3.409 -3.254 1110 HD13 ILE 57 2HD1 ILE 57 2.430 -3.765 -4.932 1111 H THR 58 H THR 58 -1.680 -6.530 -4.665 1112 HA THR 58 HA THR 58 -3.639 -6.384 -2.513 1113 HB THR 58 HB THR 58 -3.002 -9.031 -2.763 1114 HG1 THR 58 HG1 THR 58 -2.392 -9.480 -4.764 1115 HG21 THR 58 3HG2 THR 58 -5.080 -9.235 -4.020 1116 HG22 THR 58 1HG2 THR 58 -5.037 -7.512 -4.394 1117 HG23 THR 58 2HG2 THR 58 -5.251 -8.047 -2.728 1118 H LEU 59 H LEU 59 -3.215 -6.915 -0.418 1119 HA LEU 59 HA LEU 59 -0.440 -7.662 0.231 1120 HB2 LEU 59 2HB LEU 59 -2.260 -5.845 1.815 1121 HB3 LEU 59 3HB LEU 59 -0.656 -6.354 2.304 1122 HG LEU 59 HG LEU 59 -1.318 -4.620 -0.079 1123 HD11 LEU 59 1HD1 LEU 59 0.046 -3.995 2.534 1124 HD12 LEU 59 2HD1 LEU 59 -1.549 -3.436 2.023 1125 HD13 LEU 59 3HD1 LEU 59 -0.106 -2.892 1.166 1126 HD21 LEU 59 3HD2 LEU 59 1.359 -5.516 0.975 1127 HD22 LEU 59 1HD2 LEU 59 1.086 -4.383 -0.347 1128 HD23 LEU 59 2HD2 LEU 59 0.598 -6.069 -0.519 1129 H SER 60 H SER 60 -0.167 -9.323 1.606 1130 HA SER 60 HA SER 60 -2.492 -10.798 2.487 1131 HB2 SER 60 2HB SER 60 0.448 -11.314 2.991 1132 HB3 SER 60 3HB SER 60 -0.873 -12.461 3.225 1133 HG SER 60 HG SER 60 0.232 -11.460 0.839 1134 H ASN 61 H ASN 61 -2.346 -11.695 4.841 1135 HA ASN 61 HA ASN 61 -2.872 -9.531 6.547 1136 HB2 ASN 61 2HB ASN 61 -3.876 -11.687 6.957 1137 HB3 ASN 61 3HB ASN 61 -2.296 -12.429 7.187 1138 HD21 ASN 61 1HD2 ASN 61 -4.737 -10.388 8.591 1139 HD22 ASN 61 2HD2 ASN 61 -4.111 -10.409 10.198 1140 H GLU 62 H GLU 62 -0.102 -11.782 6.619 1141 HA GLU 62 HA GLU 62 1.238 -10.433 8.705 1142 HB2 GLU 62 2HB GLU 62 1.642 -12.795 8.080 1143 HB3 GLU 62 3HB GLU 62 2.405 -12.253 6.590 1144 HG2 GLU 62 2HG GLU 62 4.205 -11.257 7.784 1145 HG3 GLU 62 3HG GLU 62 3.388 -11.496 9.330 1146 H GLU 63 H GLU 63 1.369 -10.110 5.201 1147 HA GLU 63 HA GLU 63 3.598 -8.398 5.032 1148 HB2 GLU 63 2HB GLU 63 1.161 -8.294 3.254 1149 HB3 GLU 63 3HB GLU 63 2.785 -7.760 2.856 1150 HG2 GLU 63 2HG GLU 63 3.517 -10.148 3.098 1151 HG3 GLU 63 3HG GLU 63 1.807 -10.572 3.211 1152 H PHE 64 H PHE 64 0.131 -7.724 5.228 1153 HA PHE 64 HA PHE 64 0.264 -4.933 5.236 1154 HB2 PHE 64 2HB PHE 64 -1.768 -6.465 4.954 1155 HB3 PHE 64 3HB PHE 64 -1.804 -6.562 6.711 1156 HD1 PHE 64 HD1 PHE 64 -2.112 -4.293 3.833 1157 HD2 PHE 64 HD2 PHE 64 -2.698 -4.805 8.017 1158 HE1 PHE 64 HE1 PHE 64 -3.451 -2.232 3.893 1159 HE2 PHE 64 HE2 PHE 64 -4.036 -2.742 8.084 1160 HZ PHE 64 HZ PHE 64 -4.415 -1.457 6.019 1161 H GLN 65 H GLN 65 0.147 -7.255 7.919 1162 HA GLN 65 HA GLN 65 0.219 -5.521 10.066 1163 HB2 GLN 65 2HB GLN 65 -0.091 -7.840 10.491 1164 HB3 GLN 65 3HB GLN 65 1.417 -8.265 9.692 1165 HG2 GLN 65 2HG GLN 65 1.575 -8.440 12.124 1166 HG3 GLN 65 3HG GLN 65 2.693 -7.244 11.470 1167 HE21 GLN 65 1HE2 GLN 65 2.895 -5.949 13.185 1168 HE22 GLN 65 2HE2 GLN 65 1.599 -5.025 13.865 1169 H THR 66 H THR 66 2.940 -6.805 8.200 1170 HA THR 66 HA THR 66 5.023 -5.768 9.723 1171 HB THR 66 HB THR 66 4.965 -6.188 6.726 1172 HG1 THR 66 HG1 THR 66 4.452 -8.111 7.815 1173 HG21 THR 66 3HG2 THR 66 6.893 -4.857 7.468 1174 HG22 THR 66 1HG2 THR 66 7.381 -6.457 6.908 1175 HG23 THR 66 2HG2 THR 66 7.305 -6.113 8.636 1176 H MET 67 H MET 67 3.307 -4.290 6.966 1177 HA MET 67 HA MET 67 4.996 -1.993 6.959 1178 HB2 MET 67 2HB MET 67 3.687 -1.151 5.197 1179 HB3 MET 67 3HB MET 67 3.670 -2.889 4.978 1180 HG2 MET 67 2HG MET 67 1.486 -2.334 4.571 1181 HG3 MET 67 3HG MET 67 1.429 -2.782 6.274 1182 HE1 MET 67 3HE MET 67 -0.963 -1.533 6.412 1183 HE2 MET 67 1HE MET 67 -0.820 -1.067 4.714 1184 HE3 MET 67 2HE MET 67 -1.202 0.149 5.933 1185 H VAL 68 H VAL 68 1.924 -2.782 8.486 1186 HA VAL 68 HA VAL 68 1.140 -0.183 9.180 1187 HB VAL 68 HB VAL 68 0.632 -2.777 10.652 1188 HG11 VAL 68 1HG1 VAL 68 -1.158 -1.621 11.833 1189 HG12 VAL 68 2HG1 VAL 68 -0.739 -0.106 11.031 1190 HG13 VAL 68 3HG1 VAL 68 0.390 -0.846 12.168 1191 HG21 VAL 68 3HG2 VAL 68 -0.329 -2.773 8.445 1192 HG22 VAL 68 1HG2 VAL 68 -1.023 -1.172 8.711 1193 HG23 VAL 68 2HG2 VAL 68 -1.617 -2.553 9.631 1194 H ASP 69 H ASP 69 2.798 -2.563 11.277 1195 HA ASP 69 HA ASP 69 3.121 -0.745 13.389 1196 HB2 ASP 69 2HB ASP 69 3.256 -3.262 13.522 1197 HB3 ASP 69 3HB ASP 69 4.891 -3.133 12.884 1198 H ALA 70 H ALA 70 5.226 -1.550 10.677 1199 HA ALA 70 HA ALA 70 7.544 -0.255 11.548 1200 HB1 ALA 70 3HB ALA 70 7.478 -1.771 9.625 1201 HB2 ALA 70 1HB ALA 70 8.214 -0.224 9.210 1202 HB3 ALA 70 2HB ALA 70 6.557 -0.572 8.716 1203 H PHE 71 H PHE 71 4.904 1.021 9.494 1204 HA PHE 71 HA PHE 71 6.146 3.555 9.203 1205 HB2 PHE 71 2HB PHE 71 3.345 2.610 8.638 1206 HB3 PHE 71 3HB PHE 71 3.872 4.261 8.329 1207 HD1 PHE 71 HD1 PHE 71 6.460 4.053 7.196 1208 HD2 PHE 71 HD2 PHE 71 3.120 1.477 6.660 1209 HE1 PHE 71 HE1 PHE 71 7.340 3.374 5.009 1210 HE2 PHE 71 HE2 PHE 71 3.994 0.796 4.467 1211 HZ PHE 71 HZ PHE 71 6.108 1.746 3.639 1212 H LYS 72 H LYS 72 3.711 2.345 11.462 1213 HA LYS 72 HA LYS 72 2.944 4.944 12.396 1214 HB2 LYS 72 2HB LYS 72 2.695 2.509 14.127 1215 HB3 LYS 72 3HB LYS 72 1.606 3.876 13.966 1216 HG2 LYS 72 2HG LYS 72 1.931 1.524 12.145 1217 HG3 LYS 72 3HG LYS 72 0.489 2.079 12.986 1218 HD2 LYS 72 2HD LYS 72 0.212 3.905 11.508 1219 HD3 LYS 72 3HD LYS 72 1.836 3.707 10.843 1220 HE2 LYS 72 2HE LYS 72 1.133 1.491 9.956 1221 HE3 LYS 72 3HE LYS 72 -0.503 1.833 10.506 1222 HZ1 LYS 72 3HZ LYS 72 -0.176 2.314 8.143 1223 HZ2 LYS 72 1HZ LYS 72 0.999 3.464 8.531 1224 HZ3 LYS 72 2HZ LYS 72 -0.608 3.700 9.008 1225 H GLY 73 H GLY 73 5.500 2.718 13.129 1226 HA2 GLY 73 2HA GLY 73 6.370 4.468 15.341 1227 HA3 GLY 73 3HA GLY 73 6.885 2.806 15.114 1228 H ASN 74 H ASN 74 6.737 5.113 12.473 1229 HA ASN 74 HA ASN 74 9.578 5.685 12.649 1230 HB2 ASN 74 2HB ASN 74 9.650 3.586 11.449 1231 HB3 ASN 74 3HB ASN 74 8.416 4.140 10.324 1232 HD21 ASN 74 1HD2 ASN 74 11.746 4.421 11.298 1233 HD22 ASN 74 2HD2 ASN 74 12.304 5.218 9.863 1234 H LEU 75 H LEU 75 6.890 5.827 10.299 1235 HA LEU 75 HA LEU 75 7.773 8.391 9.344 1236 HB2 LEU 75 2HB LEU 75 6.766 6.779 7.814 1237 HB3 LEU 75 3HB LEU 75 5.277 6.806 8.736 1238 HG LEU 75 HG LEU 75 4.825 9.081 8.056 1239 HD11 LEU 75 1HD1 LEU 75 7.466 8.965 6.609 1240 HD12 LEU 75 2HD1 LEU 75 7.111 9.933 8.042 1241 HD13 LEU 75 3HD1 LEU 75 6.292 10.277 6.516 1242 HD21 LEU 75 3HD2 LEU 75 4.240 7.201 6.525 1243 HD22 LEU 75 1HD2 LEU 75 5.728 7.525 5.642 1244 HD23 LEU 75 2HD2 LEU 75 4.460 8.751 5.714 1245 H GLU 76 H GLU 76 5.637 7.247 11.775 1246 HA GLU 76 HA GLU 76 4.398 9.844 12.139 1247 HB2 GLU 76 2HB GLU 76 3.058 7.881 12.668 1248 HB3 GLU 76 3HB GLU 76 4.275 7.319 13.806 1249 HG2 GLU 76 2HG GLU 76 2.363 8.325 14.936 1250 HG3 GLU 76 3HG GLU 76 3.852 9.217 15.244 1251 H HIS 77 H HIS 77 5.889 11.306 12.665 1252 HA HIS 77 HA HIS 77 7.459 10.834 15.111 1253 HB2 HIS 77 2HB HIS 77 8.893 10.624 13.085 1254 HB3 HIS 77 3HB HIS 77 8.429 12.251 12.610 1255 HD1 HIS 77 HD1 HIS 77 10.127 10.555 15.578 1256 HD2 HIS 77 HD2 HIS 77 10.169 14.136 13.454 1257 HE1 HIS 77 HE1 HIS 77 12.011 11.911 16.560 1258 HE2 HIS 77 HE2 HIS 77 12.046 14.063 15.240 1259 H HIS 78 H HIS 78 5.107 12.530 13.619 1260 HA HIS 78 HA HIS 78 4.015 14.479 13.928 1261 HB2 HIS 78 2HB HIS 78 5.597 14.534 16.505 1262 HB3 HIS 78 3HB HIS 78 4.279 15.637 16.125 1263 HD1 HIS 78 HD1 HIS 78 4.852 12.733 18.016 1264 HD2 HIS 78 HD2 HIS 78 1.844 13.904 15.389 1265 HE1 HIS 78 HE1 HIS 78 2.864 11.290 18.567 1266 HE2 HIS 78 HE2 HIS 78 1.015 12.137 17.078 1267 H HIS 79 H HIS 79 6.893 15.605 15.607 1268 HA HIS 79 HA HIS 79 7.909 16.994 13.283 1269 HB2 HIS 79 2HB HIS 79 6.684 18.469 15.606 1270 HB3 HIS 79 3HB HIS 79 8.011 19.181 14.697 1271 HD1 HIS 79 HD1 HIS 79 4.401 18.888 14.723 1272 HD2 HIS 79 HD2 HIS 79 7.332 19.478 11.829 1273 HE1 HIS 79 HE1 HIS 79 3.199 19.793 12.710 1274 HE2 HIS 79 HE2 HIS 79 4.955 19.942 10.914 1275 H HIS 80 H HIS 80 8.127 17.130 16.833 1276 HA HIS 80 HA HIS 80 10.837 16.090 16.709 1277 HB2 HIS 80 2HB HIS 80 11.756 17.886 18.108 1278 HB3 HIS 80 3HB HIS 80 11.161 18.526 16.584 1279 HD1 HIS 80 HD1 HIS 80 9.194 20.202 16.695 1280 HD2 HIS 80 HD2 HIS 80 10.348 18.691 20.392 1281 HE1 HIS 80 HE1 HIS 80 8.016 21.618 18.407 1282 HE2 HIS 80 HE2 HIS 80 8.600 20.575 20.632 1283 H HIS 81 H HIS 81 11.447 16.557 19.462 1284 HA HIS 81 HA HIS 81 9.875 14.439 20.589 1285 HB2 HIS 81 2HB HIS 81 12.023 16.191 21.792 1286 HB3 HIS 81 3HB HIS 81 11.239 14.880 22.660 1287 HD1 HIS 81 HD1 HIS 81 11.905 12.479 22.050 1288 HD2 HIS 81 HD2 HIS 81 13.856 15.391 19.808 1289 HE1 HIS 81 HE1 HIS 81 13.809 11.294 20.904 1290 HE2 HIS 81 HE2 HIS 81 15.099 13.124 19.747 1291 H HIS 82 H HIS 82 10.624 17.479 22.256 1292 HA HIS 82 HA HIS 82 7.764 17.854 22.805 1293 HB2 HIS 82 2HB HIS 82 8.787 16.615 24.706 1294 HB3 HIS 82 3HB HIS 82 9.930 17.937 24.921 1295 HD1 HIS 82 HD1 HIS 82 9.115 20.014 26.148 1296 HD2 HIS 82 HD2 HIS 82 6.123 17.200 25.488 1297 HE1 HIS 82 HE1 HIS 82 7.157 20.769 27.532 1298 HE2 HIS 82 HE2 HIS 82 5.446 18.936 27.284 Start of MODEL 11 1 H1 MET 1 1H MET 1 17.311 9.885 -31.705 2 H2 MET 1 2H MET 1 18.855 10.355 -32.209 3 H3 MET 1 3H MET 1 18.249 10.893 -30.718 4 HA MET 1 HA MET 1 18.934 8.105 -31.439 5 HB2 MET 1 2HB MET 1 20.157 10.054 -29.471 6 HB3 MET 1 3HB MET 1 20.595 8.358 -29.597 7 HG2 MET 1 2HG MET 1 21.428 8.706 -31.839 8 HG3 MET 1 3HG MET 1 20.912 10.391 -31.792 9 HE1 MET 1 3HE MET 1 23.898 9.386 -32.526 10 HE2 MET 1 1HE MET 1 24.838 10.611 -31.677 11 HE3 MET 1 2HE MET 1 23.380 11.072 -32.556 12 H LYS 2 H LYS 2 18.457 6.542 -29.890 13 HA LYS 2 HA LYS 2 16.283 7.286 -28.093 14 HB2 LYS 2 2HB LYS 2 16.042 4.784 -27.821 15 HB3 LYS 2 3HB LYS 2 15.751 5.405 -29.437 16 HG2 LYS 2 2HG LYS 2 18.102 4.754 -30.012 17 HG3 LYS 2 3HG LYS 2 18.183 3.947 -28.444 18 HD2 LYS 2 2HD LYS 2 16.247 2.568 -29.082 19 HD3 LYS 2 3HD LYS 2 16.233 3.346 -30.665 20 HE2 LYS 2 2HE LYS 2 18.566 2.530 -31.008 21 HE3 LYS 2 3HE LYS 2 18.420 1.626 -29.500 22 HZ1 LYS 2 3HZ LYS 2 17.934 0.173 -31.310 23 HZ2 LYS 2 1HZ LYS 2 16.807 1.261 -31.967 24 HZ3 LYS 2 2HZ LYS 2 16.477 0.484 -30.495 25 H LYS 3 H LYS 3 17.036 8.135 -26.277 26 HA LYS 3 HA LYS 3 19.025 6.605 -24.743 27 HB2 LYS 3 2HB LYS 3 20.125 8.484 -25.959 28 HB3 LYS 3 3HB LYS 3 19.067 9.606 -25.114 29 HG2 LYS 3 2HG LYS 3 20.020 8.710 -22.964 30 HG3 LYS 3 3HG LYS 3 21.215 7.856 -23.944 31 HD2 LYS 3 2HD LYS 3 20.766 10.841 -23.859 32 HD3 LYS 3 3HD LYS 3 22.117 9.970 -23.133 33 HE2 LYS 3 2HE LYS 3 21.479 10.111 -26.080 34 HE3 LYS 3 3HE LYS 3 22.740 11.029 -25.257 35 HZ1 LYS 3 3HZ LYS 3 23.739 9.164 -26.298 36 HZ2 LYS 3 1HZ LYS 3 22.608 8.090 -25.634 37 HZ3 LYS 3 2HZ LYS 3 23.740 8.857 -24.631 38 H MET 4 H MET 4 16.661 9.257 -24.705 39 HA MET 4 HA MET 4 16.678 9.329 -21.815 40 HB2 MET 4 2HB MET 4 16.515 11.386 -23.184 41 HB3 MET 4 3HB MET 4 14.947 10.850 -23.770 42 HG2 MET 4 2HG MET 4 14.066 10.936 -21.490 43 HG3 MET 4 3HG MET 4 15.640 11.482 -20.907 44 HE1 MET 4 3HE MET 4 14.558 13.578 -19.747 45 HE2 MET 4 1HE MET 4 12.960 13.068 -20.283 46 HE3 MET 4 2HE MET 4 13.496 14.726 -20.566 47 H ALA 5 H ALA 5 14.280 8.547 -24.332 48 HA ALA 5 HA ALA 5 12.295 7.445 -24.281 49 HB1 ALA 5 3HB ALA 5 11.942 5.671 -22.655 50 HB2 ALA 5 1HB ALA 5 13.261 6.290 -21.662 51 HB3 ALA 5 2HB ALA 5 13.599 5.619 -23.258 52 H GLU 6 H GLU 6 12.741 10.051 -23.011 53 HA GLU 6 HA GLU 6 11.653 11.679 -21.919 54 HB2 GLU 6 2HB GLU 6 9.429 9.737 -22.380 55 HB3 GLU 6 3HB GLU 6 9.144 11.163 -21.394 56 HG2 GLU 6 2HG GLU 6 8.488 11.508 -23.719 57 HG3 GLU 6 3HG GLU 6 9.781 12.603 -23.228 58 H PHE 7 H PHE 7 10.034 8.939 -20.329 59 HA PHE 7 HA PHE 7 10.627 10.237 -17.794 60 HB2 PHE 7 2HB PHE 7 8.841 7.872 -18.393 61 HB3 PHE 7 3HB PHE 7 9.011 8.657 -16.826 62 HD1 PHE 7 HD1 PHE 7 8.165 10.942 -16.489 63 HD2 PHE 7 HD2 PHE 7 7.466 8.804 -20.101 64 HE1 PHE 7 HE1 PHE 7 6.364 12.515 -17.066 65 HE2 PHE 7 HE2 PHE 7 5.667 10.377 -20.689 66 HZ PHE 7 HZ PHE 7 5.116 12.237 -19.169 67 H THR 8 H THR 8 12.606 9.776 -17.110 68 HA THR 8 HA THR 8 13.397 6.969 -16.885 69 HB THR 8 HB THR 8 15.136 8.511 -17.685 70 HG1 THR 8 HG1 THR 8 15.496 6.710 -15.989 71 HG21 THR 8 3HG2 THR 8 14.369 10.559 -16.600 72 HG22 THR 8 1HG2 THR 8 16.063 10.240 -16.222 73 HG23 THR 8 2HG2 THR 8 14.812 9.900 -15.025 74 H PHE 9 H PHE 9 13.840 6.058 -14.798 75 HA PHE 9 HA PHE 9 13.102 7.584 -12.453 76 HB2 PHE 9 2HB PHE 9 11.362 5.895 -11.762 77 HB3 PHE 9 3HB PHE 9 10.895 6.946 -13.092 78 HD1 PHE 9 HD2 PHE 9 10.681 6.069 -15.353 79 HD2 PHE 9 HD1 PHE 9 11.664 3.532 -12.080 80 HE1 PHE 9 HE2 PHE 9 10.106 4.103 -16.711 81 HE2 PHE 9 HE1 PHE 9 11.081 1.560 -13.434 82 HZ PHE 9 HZ PHE 9 10.302 1.844 -15.750 83 H GLU 10 H GLU 10 14.115 6.901 -10.689 84 HA GLU 10 HA GLU 10 15.230 4.199 -10.623 85 HB2 GLU 10 2HB GLU 10 17.426 5.065 -9.908 86 HB3 GLU 10 3HB GLU 10 17.016 5.572 -11.540 87 HG2 GLU 10 2HG GLU 10 16.338 7.763 -10.673 88 HG3 GLU 10 3HG GLU 10 16.802 7.249 -9.051 89 H ILE 11 H ILE 11 15.801 3.498 -8.494 90 HA ILE 11 HA ILE 11 14.094 4.747 -6.469 91 HB ILE 11 HB ILE 11 15.591 2.122 -6.321 92 HG12 ILE 11 2HG1 ILE 11 12.689 2.611 -7.033 93 HG13 ILE 11 3HG1 ILE 11 13.943 2.180 -8.188 94 HG21 ILE 11 1HG2 ILE 11 13.295 3.199 -4.683 95 HG22 ILE 11 2HG2 ILE 11 14.971 3.069 -4.152 96 HG23 ILE 11 3HG2 ILE 11 14.042 1.611 -4.503 97 HD11 ILE 11 3HD1 ILE 11 13.014 0.483 -5.885 98 HD12 ILE 11 1HD1 ILE 11 14.254 0.047 -7.060 99 HD13 ILE 11 2HD1 ILE 11 12.583 0.263 -7.580 100 H GLU 12 H GLU 12 14.985 6.139 -5.078 101 HA GLU 12 HA GLU 12 17.885 6.158 -4.847 102 HB2 GLU 12 2HB GLU 12 17.474 8.374 -3.659 103 HB3 GLU 12 3HB GLU 12 17.094 8.294 -5.370 104 HG2 GLU 12 2HG GLU 12 15.319 9.467 -4.482 105 HG3 GLU 12 3HG GLU 12 14.687 7.826 -4.599 106 H GLU 13 H GLU 13 15.096 5.389 -2.910 107 HA GLU 13 HA GLU 13 16.894 4.113 -1.046 108 HB2 GLU 13 2HB GLU 13 16.676 6.409 -0.124 109 HB3 GLU 13 3HB GLU 13 14.937 6.170 -0.004 110 HG2 GLU 13 2HG GLU 13 15.264 4.371 1.580 111 HG3 GLU 13 3HG GLU 13 17.013 4.518 1.419 112 H HIS 14 H HIS 14 16.017 2.369 -0.047 113 HA HIS 14 HA HIS 14 13.227 1.707 -0.717 114 HB2 HIS 14 2HB HIS 14 15.507 -0.060 0.237 115 HB3 HIS 14 3HB HIS 14 13.863 -0.620 -0.034 116 HD1 HIS 14 HD1 HIS 14 13.484 -1.658 -2.252 117 HD2 HIS 14 HD2 HIS 14 16.652 1.052 -2.317 118 HE1 HIS 14 HE1 HIS 14 14.434 -1.767 -4.578 119 HE2 HIS 14 HE2 HIS 14 16.442 -0.248 -4.553 120 H LEU 15 H LEU 15 11.777 2.069 0.851 121 HA LEU 15 HA LEU 15 12.533 2.935 3.436 122 HB2 LEU 15 2HB LEU 15 9.846 2.071 2.367 123 HB3 LEU 15 3HB LEU 15 10.093 2.830 3.928 124 HG LEU 15 HG LEU 15 10.778 4.136 1.291 125 HD11 LEU 15 1HD1 LEU 15 8.373 3.773 1.463 126 HD12 LEU 15 2HD1 LEU 15 8.770 5.482 1.639 127 HD13 LEU 15 3HD1 LEU 15 8.366 4.518 3.061 128 HD21 LEU 15 3HD2 LEU 15 12.060 4.943 3.214 129 HD22 LEU 15 1HD2 LEU 15 10.556 5.239 4.088 130 HD23 LEU 15 2HD2 LEU 15 10.927 6.163 2.630 131 H LEU 16 H LEU 16 10.693 0.036 2.461 132 HA LEU 16 HA LEU 16 12.176 -1.631 4.257 133 HB2 LEU 16 2HB LEU 16 10.340 -2.324 5.687 134 HB3 LEU 16 3HB LEU 16 10.626 -0.604 5.868 135 HG LEU 16 HG LEU 16 8.546 -1.341 3.899 136 HD11 LEU 16 1HD1 LEU 16 8.124 -2.990 5.657 137 HD12 LEU 16 2HD1 LEU 16 6.866 -1.754 5.614 138 HD13 LEU 16 3HD1 LEU 16 8.111 -1.704 6.862 139 HD21 LEU 16 3HD2 LEU 16 7.419 0.561 4.893 140 HD22 LEU 16 1HD2 LEU 16 9.086 0.986 4.505 141 HD23 LEU 16 2HD2 LEU 16 8.627 0.638 6.175 142 H THR 17 H THR 17 11.713 -3.851 3.961 143 HA THR 17 HA THR 17 10.168 -4.421 1.527 144 HB THR 17 HB THR 17 12.159 -6.186 2.977 145 HG1 THR 17 HG1 THR 17 12.400 -4.269 0.936 146 HG21 THR 17 3HG2 THR 17 10.508 -7.436 1.656 147 HG22 THR 17 1HG2 THR 17 12.113 -7.530 0.929 148 HG23 THR 17 2HG2 THR 17 10.895 -6.454 0.244 149 H LEU 18 H LEU 18 8.248 -5.374 1.699 150 HA LEU 18 HA LEU 18 7.180 -5.932 4.293 151 HB2 LEU 18 2HB LEU 18 5.996 -6.381 1.554 152 HB3 LEU 18 3HB LEU 18 5.121 -6.519 3.066 153 HG LEU 18 HG LEU 18 6.368 -3.980 2.006 154 HD11 LEU 18 1HD1 LEU 18 4.047 -3.258 1.672 155 HD12 LEU 18 2HD1 LEU 18 3.490 -4.866 2.132 156 HD13 LEU 18 3HD1 LEU 18 4.458 -4.653 0.672 157 HD21 LEU 18 3HD2 LEU 18 4.604 -4.463 4.406 158 HD22 LEU 18 1HD2 LEU 18 5.154 -2.890 3.825 159 HD23 LEU 18 2HD2 LEU 18 6.320 -4.058 4.447 160 H SER 19 H SER 19 7.662 -7.962 1.383 161 HA SER 19 HA SER 19 8.325 -10.263 2.937 162 HB2 SER 19 2HB SER 19 6.252 -11.555 2.249 163 HB3 SER 19 3HB SER 19 5.996 -10.313 3.478 164 HG SER 19 HG SER 19 4.452 -10.346 1.673 165 H GLU 20 H GLU 20 8.030 -12.304 1.495 166 HA GLU 20 HA GLU 20 8.624 -11.698 -1.325 167 HB2 GLU 20 2HB GLU 20 10.638 -12.522 -0.221 168 HB3 GLU 20 3HB GLU 20 9.752 -13.889 0.439 169 HG2 GLU 20 2HG GLU 20 9.345 -14.645 -1.912 170 HG3 GLU 20 3HG GLU 20 10.446 -13.376 -2.439 171 H ASN 21 H ASN 21 7.019 -12.431 -2.604 172 HA ASN 21 HA ASN 21 5.210 -14.440 -1.448 173 HB2 ASN 21 2HB ASN 21 4.704 -12.240 -3.445 174 HB3 ASN 21 3HB ASN 21 3.549 -13.525 -3.127 175 HD21 ASN 21 1HD2 ASN 21 4.171 -13.649 -0.275 176 HD22 ASN 21 2HD2 ASN 21 3.470 -12.225 0.431 177 H GLU 22 H GLU 22 4.389 -16.088 -2.636 178 HA GLU 22 HA GLU 22 4.088 -17.637 -4.233 179 HB2 GLU 22 2HB GLU 22 4.990 -15.521 -6.180 180 HB3 GLU 22 3HB GLU 22 4.009 -16.936 -6.535 181 HG2 GLU 22 2HG GLU 22 3.228 -14.553 -4.874 182 HG3 GLU 22 3HG GLU 22 2.599 -15.006 -6.456 183 H LYS 23 H LYS 23 6.682 -16.126 -6.094 184 HA LYS 23 HA LYS 23 8.298 -18.547 -5.658 185 HB2 LYS 23 2HB LYS 23 7.444 -17.349 -8.292 186 HB3 LYS 23 3HB LYS 23 8.829 -18.426 -8.158 187 HG2 LYS 23 2HG LYS 23 7.426 -20.206 -7.359 188 HG3 LYS 23 3HG LYS 23 6.029 -19.130 -7.313 189 HD2 LYS 23 2HD LYS 23 6.056 -18.907 -9.708 190 HD3 LYS 23 3HD LYS 23 7.563 -19.819 -9.816 191 HE2 LYS 23 2HE LYS 23 5.595 -21.178 -10.404 192 HE3 LYS 23 3HE LYS 23 6.465 -21.808 -9.006 193 HZ1 LYS 23 3HZ LYS 23 4.806 -20.790 -7.564 194 HZ2 LYS 23 1HZ LYS 23 4.083 -21.865 -8.653 195 HZ3 LYS 23 2HZ LYS 23 3.967 -20.194 -8.914 196 H GLY 24 H GLY 24 8.528 -15.756 -4.690 197 HA2 GLY 24 2HA GLY 24 10.758 -14.886 -4.173 198 HA3 GLY 24 3HA GLY 24 11.183 -15.179 -5.855 199 H TRP 25 H TRP 25 8.086 -14.103 -5.819 200 HA TRP 25 HA TRP 25 8.654 -11.543 -6.868 201 HB2 TRP 25 2HB TRP 25 6.114 -12.730 -5.729 202 HB3 TRP 25 3HB TRP 25 6.188 -11.142 -6.480 203 HD1 TRP 25 HD1 TRP 25 7.183 -14.759 -7.546 204 HE1 TRP 25 HE1 TRP 25 6.443 -15.069 -9.995 205 HE3 TRP 25 HE3 TRP 25 5.250 -10.111 -8.400 206 HZ2 TRP 25 HZ2 TRP 25 5.202 -13.544 -12.011 207 HZ3 TRP 25 HZ3 TRP 25 4.304 -9.616 -10.619 208 HH2 TRP 25 HH2 TRP 25 4.284 -11.298 -12.384 209 H THR 26 H THR 26 9.664 -10.063 -5.616 210 HA THR 26 HA THR 26 9.186 -10.084 -2.762 211 HB THR 26 HB THR 26 10.880 -8.091 -2.934 212 HG1 THR 26 HG1 THR 26 10.791 -7.897 -5.206 213 HG21 THR 26 3HG2 THR 26 11.384 -10.269 -1.940 214 HG22 THR 26 1HG2 THR 26 12.746 -9.690 -2.902 215 HG23 THR 26 2HG2 THR 26 11.682 -10.939 -3.544 216 H LYS 27 H LYS 27 8.124 -8.593 -1.627 217 HA LYS 27 HA LYS 27 6.805 -6.449 -3.152 218 HB2 LYS 27 2HB LYS 27 5.303 -8.330 -2.469 219 HB3 LYS 27 3HB LYS 27 5.696 -7.982 -0.793 220 HG2 LYS 27 2HG LYS 27 4.564 -5.926 -0.843 221 HG3 LYS 27 3HG LYS 27 4.479 -5.926 -2.608 222 HD2 LYS 27 2HD LYS 27 2.318 -6.501 -1.636 223 HD3 LYS 27 3HD LYS 27 2.985 -7.864 -2.534 224 HE2 LYS 27 2HE LYS 27 3.869 -8.717 -0.325 225 HE3 LYS 27 3HE LYS 27 2.881 -7.478 0.446 226 HZ1 LYS 27 3HZ LYS 27 1.974 -9.789 -1.162 227 HZ2 LYS 27 1HZ LYS 27 0.952 -8.482 -0.802 228 HZ3 LYS 27 2HZ LYS 27 1.600 -9.424 0.453 229 H GLU 28 H GLU 28 7.447 -4.511 -2.511 230 HA GLU 28 HA GLU 28 8.217 -4.105 0.282 231 HB2 GLU 28 2HB GLU 28 10.342 -3.076 -0.378 232 HB3 GLU 28 3HB GLU 28 10.270 -4.763 -0.873 233 HG2 GLU 28 2HG GLU 28 9.690 -4.068 -3.145 234 HG3 GLU 28 3HG GLU 28 9.795 -2.380 -2.650 235 H ILE 29 H ILE 29 8.907 -1.738 0.557 236 HA ILE 29 HA ILE 29 7.237 0.025 -1.108 237 HB ILE 29 HB ILE 29 7.729 0.343 1.862 238 HG12 ILE 29 2HG1 ILE 29 5.206 -0.529 0.428 239 HG13 ILE 29 3HG1 ILE 29 6.266 -1.596 1.345 240 HG21 ILE 29 1HG2 ILE 29 6.061 2.114 1.727 241 HG22 ILE 29 2HG2 ILE 29 5.889 1.838 -0.006 242 HG23 ILE 29 3HG2 ILE 29 7.412 2.446 0.643 243 HD11 ILE 29 3HD1 ILE 29 5.770 -0.316 3.374 244 HD12 ILE 29 1HD1 ILE 29 4.322 -1.007 2.642 245 HD13 ILE 29 2HD1 ILE 29 4.677 0.709 2.443 246 H ASN 30 H ASN 30 8.517 1.362 -2.196 247 HA ASN 30 HA ASN 30 10.978 2.319 -0.905 248 HB2 ASN 30 2HB ASN 30 12.075 2.151 -3.205 249 HB3 ASN 30 3HB ASN 30 11.824 0.646 -2.331 250 HD21 ASN 30 1HD2 ASN 30 9.233 2.354 -4.008 251 HD22 ASN 30 2HD2 ASN 30 9.006 1.156 -5.237 252 H ARG 31 H ARG 31 11.934 4.225 -2.106 253 HA ARG 31 HA ARG 31 9.745 5.913 -3.122 254 HB2 ARG 31 2HB ARG 31 12.414 6.852 -2.074 255 HB3 ARG 31 3HB ARG 31 10.993 7.831 -2.407 256 HG2 ARG 31 2HG ARG 31 9.814 6.678 -0.567 257 HG3 ARG 31 3HG ARG 31 11.301 5.795 -0.212 258 HD2 ARG 31 2HD ARG 31 10.805 8.757 0.001 259 HD3 ARG 31 3HD ARG 31 11.223 7.630 1.290 260 HE ARG 31 HE ARG 31 13.143 8.065 -0.888 261 HH11 ARG 31 1HH1 ARG 31 12.292 8.397 2.497 262 HH12 ARG 31 2HH1 ARG 31 13.875 8.911 2.975 263 HH21 ARG 31 1HH2 ARG 31 15.180 8.811 -0.293 264 HH22 ARG 31 2HH2 ARG 31 15.528 9.153 1.382 265 H VAL 32 H VAL 32 9.793 6.469 -5.197 266 HA VAL 32 HA VAL 32 12.255 5.881 -6.697 267 HB VAL 32 HB VAL 32 9.416 5.966 -7.743 268 HG11 VAL 32 1HG1 VAL 32 11.053 6.569 -9.432 269 HG12 VAL 32 2HG1 VAL 32 10.369 4.980 -9.773 270 HG13 VAL 32 3HG1 VAL 32 11.984 5.112 -9.076 271 HG21 VAL 32 3HG2 VAL 32 11.189 3.595 -7.154 272 HG22 VAL 32 1HG2 VAL 32 9.604 3.527 -7.924 273 HG23 VAL 32 2HG2 VAL 32 9.752 4.067 -6.251 274 H SER 33 H SER 33 13.329 7.575 -7.387 275 HA SER 33 HA SER 33 12.094 10.176 -7.565 276 HB2 SER 33 2HB SER 33 14.445 10.813 -8.387 277 HB3 SER 33 3HB SER 33 14.302 10.233 -6.727 278 HG SER 33 HG SER 33 14.723 8.251 -8.590 279 H PHE 34 H PHE 34 10.853 10.601 -9.234 280 HA PHE 34 HA PHE 34 11.316 9.311 -11.798 281 HB2 PHE 34 2HB PHE 34 9.138 11.225 -10.918 282 HB3 PHE 34 3HB PHE 34 9.197 10.393 -12.468 283 HD1 PHE 34 HD2 PHE 34 9.021 7.900 -12.516 284 HD2 PHE 34 HD1 PHE 34 8.274 10.183 -9.007 285 HE1 PHE 34 HE2 PHE 34 7.813 5.992 -11.542 286 HE2 PHE 34 HE1 PHE 34 7.055 8.283 -8.026 287 HZ PHE 34 HZ PHE 34 6.826 6.185 -9.293 288 H ASN 35 H ASN 35 12.401 10.188 -13.371 289 HA ASN 35 HA ASN 35 13.768 11.566 -14.505 290 HB2 ASN 35 2HB ASN 35 12.761 13.608 -15.385 291 HB3 ASN 35 3HB ASN 35 11.649 12.252 -15.453 292 HD21 ASN 35 1HD2 ASN 35 9.749 12.351 -14.358 293 HD22 ASN 35 2HD2 ASN 35 9.207 13.750 -13.504 294 H GLY 36 H GLY 36 13.958 11.765 -11.493 295 HA2 GLY 36 2HA GLY 36 16.140 12.752 -10.838 296 HA3 GLY 36 3HA GLY 36 15.550 14.247 -11.541 297 H ALA 37 H ALA 37 13.978 15.465 -10.426 298 HA ALA 37 HA ALA 37 14.613 15.539 -7.686 299 HB1 ALA 37 3HB ALA 37 12.452 17.135 -9.016 300 HB2 ALA 37 1HB ALA 37 14.169 17.525 -9.106 301 HB3 ALA 37 2HB ALA 37 13.343 17.531 -7.549 302 HA PRO 38 HA PRO 38 9.994 14.654 -6.709 303 HB2 PRO 38 2HB PRO 38 8.924 13.237 -9.049 304 HB3 PRO 38 3HB PRO 38 8.260 14.620 -8.176 305 HG2 PRO 38 2HG PRO 38 9.293 14.864 -10.646 306 HG3 PRO 38 3HG PRO 38 9.446 16.150 -9.435 307 HD2 PRO 38 2HD PRO 38 11.461 14.095 -10.281 308 HD3 PRO 38 3HD PRO 38 11.692 15.827 -9.967 309 H ALA 39 H ALA 39 11.071 13.153 -5.362 310 HA ALA 39 HA ALA 39 10.973 10.352 -6.205 311 HB1 ALA 39 3HB ALA 39 12.105 11.563 -3.677 312 HB2 ALA 39 1HB ALA 39 13.032 11.103 -5.103 313 HB3 ALA 39 2HB ALA 39 12.214 9.866 -4.148 314 H LYS 40 H LYS 40 8.907 9.680 -6.099 315 HA LYS 40 HA LYS 40 7.303 10.456 -3.771 316 HB2 LYS 40 2HB LYS 40 6.494 9.282 -6.435 317 HB3 LYS 40 3HB LYS 40 5.375 9.604 -5.118 318 HG2 LYS 40 2HG LYS 40 7.050 11.667 -6.535 319 HG3 LYS 40 3HG LYS 40 5.333 11.369 -6.806 320 HD2 LYS 40 2HD LYS 40 6.506 12.165 -4.145 321 HD3 LYS 40 3HD LYS 40 5.842 13.313 -5.308 322 HE2 LYS 40 2HE LYS 40 4.280 10.997 -4.176 323 HE3 LYS 40 3HE LYS 40 4.276 12.612 -3.469 324 HZ1 LYS 40 3HZ LYS 40 2.386 12.267 -4.940 325 HZ2 LYS 40 1HZ LYS 40 3.425 11.943 -6.239 326 HZ3 LYS 40 2HZ LYS 40 3.402 13.486 -5.539 327 H PHE 41 H PHE 41 5.600 8.632 -3.246 328 HA PHE 41 HA PHE 41 7.254 6.431 -2.337 329 HB2 PHE 41 2HB PHE 41 4.420 7.209 -1.622 330 HB3 PHE 41 3HB PHE 41 5.322 5.891 -0.882 331 HD1 PHE 41 HD2 PHE 41 7.750 6.671 -0.029 332 HD2 PHE 41 HD1 PHE 41 4.340 9.175 -0.443 333 HE1 PHE 41 HE2 PHE 41 8.707 8.234 1.607 334 HE2 PHE 41 HE1 PHE 41 5.292 10.748 1.189 335 HZ PHE 41 HZ PHE 41 7.475 10.280 2.217 336 H ASP 42 H ASP 42 7.020 4.345 -2.887 337 HA ASP 42 HA ASP 42 4.895 3.598 -4.771 338 HB2 ASP 42 2HB ASP 42 6.786 4.238 -6.147 339 HB3 ASP 42 3HB ASP 42 7.875 3.250 -5.186 340 H ILE 43 H ILE 43 3.926 1.835 -4.008 341 HA ILE 43 HA ILE 43 5.498 -0.118 -2.457 342 HB ILE 43 HB ILE 43 2.489 0.094 -2.743 343 HG12 ILE 43 2HG1 ILE 43 4.305 0.821 -0.431 344 HG13 ILE 43 3HG1 ILE 43 3.406 1.954 -1.437 345 HG21 ILE 43 1HG2 ILE 43 3.253 -2.195 -2.385 346 HG22 ILE 43 2HG2 ILE 43 2.405 -1.583 -0.965 347 HG23 ILE 43 3HG2 ILE 43 4.167 -1.679 -0.969 348 HD11 ILE 43 3HD1 ILE 43 2.309 1.623 0.697 349 HD12 ILE 43 1HD1 ILE 43 2.215 -0.113 0.397 350 HD13 ILE 43 2HD1 ILE 43 1.310 1.007 -0.619 351 H ARG 44 H ARG 44 6.083 -1.978 -3.476 352 HA ARG 44 HA ARG 44 4.694 -2.651 -5.973 353 HB2 ARG 44 2HB ARG 44 6.548 -1.052 -6.435 354 HB3 ARG 44 3HB ARG 44 7.675 -2.232 -5.785 355 HG2 ARG 44 2HG ARG 44 7.094 -3.789 -7.555 356 HG3 ARG 44 3HG ARG 44 5.913 -2.641 -8.192 357 HD2 ARG 44 2HD ARG 44 8.901 -2.294 -8.031 358 HD3 ARG 44 3HD ARG 44 7.921 -2.447 -9.489 359 HE ARG 44 HE ARG 44 6.949 -0.254 -8.098 360 HH11 ARG 44 1HH1 ARG 44 9.998 -1.192 -9.536 361 HH12 ARG 44 2HH1 ARG 44 10.439 0.436 -9.966 362 HH21 ARG 44 1HH2 ARG 44 7.513 1.870 -8.632 363 HH22 ARG 44 2HH2 ARG 44 9.019 2.180 -9.446 364 H ALA 45 H ALA 45 4.500 -4.754 -6.321 365 HA ALA 45 HA ALA 45 6.411 -6.599 -5.040 366 HB1 ALA 45 3HB ALA 45 4.077 -7.001 -4.389 367 HB2 ALA 45 1HB ALA 45 4.729 -8.347 -5.324 368 HB3 ALA 45 2HB ALA 45 3.638 -7.188 -6.088 369 H TRP 46 H TRP 46 7.984 -7.090 -6.456 370 HA TRP 46 HA TRP 46 7.245 -7.205 -9.297 371 HB2 TRP 46 2HB TRP 46 9.618 -6.526 -9.767 372 HB3 TRP 46 3HB TRP 46 8.626 -5.298 -8.997 373 HD1 TRP 46 HD1 TRP 46 9.096 -4.930 -6.280 374 HE1 TRP 46 HE1 TRP 46 11.326 -5.079 -4.989 375 HE3 TRP 46 HE3 TRP 46 11.799 -7.666 -9.652 376 HZ2 TRP 46 HZ2 TRP 46 13.878 -6.212 -5.360 377 HZ3 TRP 46 HZ3 TRP 46 14.127 -8.240 -9.104 378 HH2 TRP 46 HH2 TRP 46 15.142 -7.526 -7.002 379 H SER 47 H SER 47 8.118 -8.729 -10.612 380 HA SER 47 HA SER 47 8.592 -11.278 -9.537 381 HB2 SER 47 2HB SER 47 7.591 -10.985 -11.725 382 HB3 SER 47 3HB SER 47 9.027 -10.161 -12.319 383 HG SER 47 HG SER 47 9.884 -12.017 -12.726 384 HA PRO 48 HA PRO 48 12.796 -11.106 -8.368 385 HB2 PRO 48 2HB PRO 48 13.502 -13.730 -8.729 386 HB3 PRO 48 3HB PRO 48 12.565 -13.130 -7.357 387 HG2 PRO 48 2HG PRO 48 11.613 -14.458 -9.866 388 HG3 PRO 48 3HG PRO 48 11.074 -14.703 -8.194 389 HD2 PRO 48 2HD PRO 48 9.665 -13.213 -9.926 390 HD3 PRO 48 3HD PRO 48 9.762 -12.801 -8.202 391 H ASP 49 H ASP 49 13.435 -9.794 -10.174 392 HA ASP 49 HA ASP 49 14.906 -9.230 -11.802 393 HB2 ASP 49 2HB ASP 49 16.349 -10.572 -10.144 394 HB3 ASP 49 3HB ASP 49 16.294 -11.861 -11.344 395 H HIS 50 H HIS 50 12.540 -10.611 -12.633 396 HA HIS 50 HA HIS 50 13.446 -11.371 -15.282 397 HB2 HIS 50 2HB HIS 50 13.385 -13.529 -14.125 398 HB3 HIS 50 3HB HIS 50 11.725 -13.229 -13.620 399 HD1 HIS 50 HD1 HIS 50 10.116 -14.481 -14.999 400 HD2 HIS 50 HD2 HIS 50 13.471 -13.373 -17.187 401 HE1 HIS 50 HE1 HIS 50 9.730 -15.361 -17.324 402 HE2 HIS 50 HE2 HIS 50 11.864 -14.853 -18.571 403 H THR 51 H THR 51 12.193 -10.507 -16.765 404 HA THR 51 HA THR 51 10.086 -8.802 -16.202 405 HB THR 51 HB THR 51 11.265 -8.558 -18.260 406 HG1 THR 51 HG1 THR 51 8.601 -9.427 -18.803 407 HG21 THR 51 3HG2 THR 51 10.228 -11.288 -19.038 408 HG22 THR 51 1HG2 THR 51 11.903 -10.878 -18.654 409 HG23 THR 51 2HG2 THR 51 11.135 -10.198 -20.087 410 H LYS 52 H LYS 52 8.109 -9.159 -15.548 411 HA LYS 52 HA LYS 52 6.413 -11.063 -16.874 412 HB2 LYS 52 2HB LYS 52 7.596 -11.784 -14.367 413 HB3 LYS 52 3HB LYS 52 5.877 -11.520 -14.116 414 HG2 LYS 52 2HG LYS 52 5.441 -13.076 -16.022 415 HG3 LYS 52 3HG LYS 52 7.168 -13.439 -16.041 416 HD2 LYS 52 2HD LYS 52 7.001 -14.159 -13.681 417 HD3 LYS 52 3HD LYS 52 5.261 -13.881 -13.748 418 HE2 LYS 52 2HE LYS 52 5.742 -16.234 -14.062 419 HE3 LYS 52 3HE LYS 52 5.075 -15.546 -15.542 420 HZ1 LYS 52 3HZ LYS 52 7.266 -15.445 -16.489 421 HZ2 LYS 52 1HZ LYS 52 6.984 -17.025 -15.937 422 HZ3 LYS 52 2HZ LYS 52 7.972 -15.982 -15.041 423 H MET 53 H MET 53 6.120 -9.704 -13.633 424 HA MET 53 HA MET 53 4.519 -7.486 -14.602 425 HB2 MET 53 2HB MET 53 3.439 -9.646 -12.794 426 HB3 MET 53 3HB MET 53 2.768 -8.024 -12.806 427 HG2 MET 53 2HG MET 53 2.293 -8.288 -15.219 428 HG3 MET 53 3HG MET 53 2.851 -9.957 -15.107 429 HE1 MET 53 3HE MET 53 -0.021 -9.096 -16.215 430 HE2 MET 53 1HE MET 53 -1.049 -10.312 -15.453 431 HE3 MET 53 2HE MET 53 0.517 -10.773 -16.122 432 H GLY 54 H GLY 54 4.070 -5.924 -12.898 433 HA2 GLY 54 2HA GLY 54 5.635 -6.267 -10.437 434 HA3 GLY 54 3HA GLY 54 5.888 -4.827 -11.419 435 H LYS 55 H LYS 55 3.406 -6.677 -9.719 436 HA LYS 55 HA LYS 55 1.394 -4.688 -9.962 437 HB2 LYS 55 2HB LYS 55 1.636 -7.044 -8.088 438 HB3 LYS 55 3HB LYS 55 0.216 -6.012 -8.183 439 HG2 LYS 55 2HG LYS 55 0.029 -6.627 -10.598 440 HG3 LYS 55 3HG LYS 55 1.325 -7.798 -10.337 441 HD2 LYS 55 2HD LYS 55 -0.006 -8.963 -8.689 442 HD3 LYS 55 3HD LYS 55 -1.273 -7.742 -8.806 443 HE2 LYS 55 2HE LYS 55 -1.944 -9.670 -10.064 444 HE3 LYS 55 3HE LYS 55 -1.577 -8.364 -11.186 445 HZ1 LYS 55 3HZ LYS 55 0.425 -10.432 -10.496 446 HZ2 LYS 55 1HZ LYS 55 0.406 -9.387 -11.830 447 HZ3 LYS 55 2HZ LYS 55 -0.700 -10.666 -11.743 448 H GLY 56 H GLY 56 1.365 -2.805 -8.999 449 HA2 GLY 56 2HA GLY 56 1.865 -2.552 -6.185 450 HA3 GLY 56 3HA GLY 56 3.099 -1.786 -7.180 451 H ILE 57 H ILE 57 2.104 0.041 -5.810 452 HA ILE 57 HA ILE 57 0.263 1.459 -7.551 453 HB ILE 57 HB ILE 57 -1.208 0.223 -5.973 454 HG12 ILE 57 2HG1 ILE 57 -1.282 3.200 -5.449 455 HG13 ILE 57 3HG1 ILE 57 -1.793 2.468 -6.968 456 HG21 ILE 57 1HG2 ILE 57 0.279 0.176 -4.043 457 HG22 ILE 57 2HG2 ILE 57 -1.288 0.865 -3.625 458 HG23 ILE 57 3HG2 ILE 57 0.104 1.922 -3.857 459 HD11 ILE 57 3HD1 ILE 57 -2.982 1.881 -4.271 460 HD12 ILE 57 1HD1 ILE 57 -3.518 1.225 -5.817 461 HD13 ILE 57 2HD1 ILE 57 -3.674 2.952 -5.488 462 H THR 58 H THR 58 0.529 3.634 -7.493 463 HA THR 58 HA THR 58 2.872 4.609 -6.107 464 HB THR 58 HB THR 58 2.324 6.730 -7.431 465 HG1 THR 58 HG1 THR 58 0.083 6.091 -7.781 466 HG21 THR 58 3HG2 THR 58 3.173 5.800 -9.527 467 HG22 THR 58 1HG2 THR 58 2.792 4.170 -8.968 468 HG23 THR 58 2HG2 THR 58 4.030 5.117 -8.145 469 H LEU 59 H LEU 59 2.886 5.869 -4.339 470 HA LEU 59 HA LEU 59 0.305 6.970 -3.436 471 HB2 LEU 59 2HB LEU 59 2.542 5.858 -1.748 472 HB3 LEU 59 3HB LEU 59 1.128 6.674 -1.114 473 HG LEU 59 HG LEU 59 1.150 4.049 -2.604 474 HD11 LEU 59 1HD1 LEU 59 0.556 4.725 0.273 475 HD12 LEU 59 2HD1 LEU 59 1.986 3.885 -0.327 476 HD13 LEU 59 3HD1 LEU 59 0.396 3.131 -0.466 477 HD21 LEU 59 3HD2 LEU 59 -1.159 5.589 -1.424 478 HD22 LEU 59 1HD2 LEU 59 -1.240 3.959 -2.090 479 HD23 LEU 59 2HD2 LEU 59 -0.854 5.322 -3.141 480 H SER 60 H SER 60 0.584 8.759 -1.824 481 HA SER 60 HA SER 60 2.902 10.447 -2.479 482 HB2 SER 60 2HB SER 60 0.007 11.302 -2.231 483 HB3 SER 60 3HB SER 60 1.371 12.405 -2.396 484 HG SER 60 HG SER 60 0.181 11.781 -4.381 485 H ASN 61 H ASN 61 2.794 12.447 -0.820 486 HA ASN 61 HA ASN 61 3.420 11.351 1.698 487 HB2 ASN 61 2HB ASN 61 2.935 14.207 0.838 488 HB3 ASN 61 3HB ASN 61 3.529 13.758 2.434 489 HD21 ASN 61 1HD2 ASN 61 5.631 13.139 2.685 490 HD22 ASN 61 2HD2 ASN 61 6.803 13.210 1.410 491 H GLU 62 H GLU 62 0.591 13.114 0.553 492 HA GLU 62 HA GLU 62 -0.791 13.375 2.967 493 HB2 GLU 62 2HB GLU 62 -2.171 12.825 0.349 494 HB3 GLU 62 3HB GLU 62 -2.707 13.849 1.673 495 HG2 GLU 62 2HG GLU 62 -0.408 14.421 -0.182 496 HG3 GLU 62 3HG GLU 62 -2.004 15.163 -0.245 497 H GLU 63 H GLU 63 -0.973 10.865 0.504 498 HA GLU 63 HA GLU 63 -2.866 9.207 1.719 499 HB2 GLU 63 2HB GLU 63 -0.654 8.024 0.090 500 HB3 GLU 63 3HB GLU 63 -2.381 7.698 0.030 501 HG2 GLU 63 2HG GLU 63 -1.082 10.221 -0.975 502 HG3 GLU 63 3HG GLU 63 -1.507 8.839 -1.983 503 H PHE 64 H PHE 64 0.660 9.211 1.820 504 HA PHE 64 HA PHE 64 1.056 6.928 3.360 505 HB2 PHE 64 2HB PHE 64 2.632 9.086 2.349 506 HB3 PHE 64 3HB PHE 64 3.060 8.819 4.036 507 HD1 PHE 64 HD1 PHE 64 2.175 6.576 1.180 508 HD2 PHE 64 HD2 PHE 64 4.965 7.576 4.233 509 HE1 PHE 64 HE1 PHE 64 3.587 4.675 0.509 510 HE2 PHE 64 HE2 PHE 64 6.377 5.676 3.571 511 HZ PHE 64 HZ PHE 64 5.694 4.223 1.707 512 H GLN 65 H GLN 65 0.791 10.323 4.387 513 HA GLN 65 HA GLN 65 1.072 9.874 7.131 514 HB2 GLN 65 2HB GLN 65 -0.032 12.055 5.451 515 HB3 GLN 65 3HB GLN 65 -0.534 12.033 7.137 516 HG2 GLN 65 2HG GLN 65 2.332 11.986 6.219 517 HG3 GLN 65 3HG GLN 65 1.452 13.442 6.690 518 HE21 GLN 65 1HE2 GLN 65 2.854 10.457 7.799 519 HE22 GLN 65 2HE2 GLN 65 2.823 10.834 9.485 520 H THR 66 H THR 66 -1.824 9.861 5.092 521 HA THR 66 HA THR 66 -3.751 9.621 7.093 522 HB THR 66 HB THR 66 -3.841 8.378 4.330 523 HG1 THR 66 HG1 THR 66 -3.462 10.607 4.166 524 HG21 THR 66 3HG2 THR 66 -6.059 9.193 6.215 525 HG22 THR 66 1HG2 THR 66 -5.603 7.542 5.794 526 HG23 THR 66 2HG2 THR 66 -6.280 8.611 4.565 527 H MET 67 H MET 67 -1.996 7.068 5.325 528 HA MET 67 HA MET 67 -3.156 4.852 6.570 529 HB2 MET 67 2HB MET 67 -0.289 5.105 5.653 530 HB3 MET 67 3HB MET 67 -1.154 3.606 5.937 531 HG2 MET 67 2HG MET 67 -2.711 4.244 4.103 532 HG3 MET 67 3HG MET 67 -1.660 5.621 3.769 533 HE1 MET 67 3HE MET 67 1.094 5.193 3.180 534 HE2 MET 67 1HE MET 67 1.740 3.556 3.174 535 HE3 MET 67 2HE MET 67 1.070 4.236 4.661 536 H VAL 68 H VAL 68 -0.558 6.977 7.592 537 HA VAL 68 HA VAL 68 0.501 5.344 9.611 538 HB VAL 68 HB VAL 68 0.525 8.360 9.469 539 HG11 VAL 68 1HG1 VAL 68 1.065 7.520 11.707 540 HG12 VAL 68 2HG1 VAL 68 2.481 8.219 10.922 541 HG13 VAL 68 3HG1 VAL 68 2.302 6.465 11.014 542 HG21 VAL 68 3HG2 VAL 68 2.518 6.320 8.497 543 HG22 VAL 68 1HG2 VAL 68 2.724 8.068 8.439 544 HG23 VAL 68 2HG2 VAL 68 1.463 7.293 7.477 545 H ASP 69 H ASP 69 -1.799 8.089 9.926 546 HA ASP 69 HA ASP 69 -2.168 7.561 12.713 547 HB2 ASP 69 2HB ASP 69 -3.989 9.235 12.607 548 HB3 ASP 69 3HB ASP 69 -2.488 9.825 11.904 549 H ALA 70 H ALA 70 -4.049 6.841 9.810 550 HA ALA 70 HA ALA 70 -6.319 5.859 11.135 551 HB1 ALA 70 3HB ALA 70 -6.978 4.938 9.023 552 HB2 ALA 70 1HB ALA 70 -5.325 5.057 8.413 553 HB3 ALA 70 2HB ALA 70 -6.243 6.520 8.763 554 H PHE 71 H PHE 71 -3.521 4.068 9.786 555 HA PHE 71 HA PHE 71 -4.490 1.575 10.811 556 HB2 PHE 71 2HB PHE 71 -1.863 2.375 9.584 557 HB3 PHE 71 3HB PHE 71 -2.163 0.750 10.191 558 HD1 PHE 71 HD1 PHE 71 -4.651 -0.095 9.366 559 HD2 PHE 71 HD2 PHE 71 -2.030 2.554 7.315 560 HE1 PHE 71 HE1 PHE 71 -5.701 -0.718 7.233 561 HE2 PHE 71 HE2 PHE 71 -3.081 1.942 5.178 562 HZ PHE 71 HZ PHE 71 -4.920 0.303 5.135 563 H LYS 72 H LYS 72 -2.793 4.188 12.152 564 HA LYS 72 HA LYS 72 -1.422 2.872 14.262 565 HB2 LYS 72 2HB LYS 72 -1.176 5.294 13.484 566 HB3 LYS 72 3HB LYS 72 -2.660 5.625 14.359 567 HG2 LYS 72 2HG LYS 72 -1.585 4.909 16.439 568 HG3 LYS 72 3HG LYS 72 -0.083 4.624 15.548 569 HD2 LYS 72 2HD LYS 72 -0.119 7.003 14.837 570 HD3 LYS 72 3HD LYS 72 -1.536 7.252 15.856 571 HE2 LYS 72 2HE LYS 72 -0.183 6.523 17.808 572 HE3 LYS 72 3HE LYS 72 1.228 6.453 16.745 573 HZ1 LYS 72 3HZ LYS 72 1.198 8.751 16.431 574 HZ2 LYS 72 1HZ LYS 72 0.879 8.567 18.087 575 HZ3 LYS 72 2HZ LYS 72 -0.385 8.922 17.014 576 H GLY 73 H GLY 73 -4.676 3.942 13.709 577 HA2 GLY 73 2HA GLY 73 -5.450 3.160 16.442 578 HA3 GLY 73 3HA GLY 73 -6.393 4.181 15.369 579 H ASN 74 H ASN 74 -5.642 2.040 13.215 580 HA ASN 74 HA ASN 74 -8.060 0.499 13.741 581 HB2 ASN 74 2HB ASN 74 -7.612 1.717 11.544 582 HB3 ASN 74 3HB ASN 74 -6.430 0.460 11.202 583 HD21 ASN 74 1HD2 ASN 74 -8.041 -1.665 12.449 584 HD22 ASN 74 2HD2 ASN 74 -9.339 -1.965 11.348 585 H LEU 75 H LEU 75 -4.667 -0.171 12.780 586 HA LEU 75 HA LEU 75 -5.242 -3.008 13.179 587 HB2 LEU 75 2HB LEU 75 -4.171 -2.285 11.060 588 HB3 LEU 75 3HB LEU 75 -2.780 -1.744 11.979 589 HG LEU 75 HG LEU 75 -2.254 -4.000 12.642 590 HD11 LEU 75 1HD1 LEU 75 -4.531 -4.818 12.926 591 HD12 LEU 75 2HD1 LEU 75 -3.577 -5.904 11.918 592 HD13 LEU 75 3HD1 LEU 75 -4.754 -4.818 11.178 593 HD21 LEU 75 3HD2 LEU 75 -1.900 -5.060 10.423 594 HD22 LEU 75 1HD2 LEU 75 -1.375 -3.378 10.494 595 HD23 LEU 75 2HD2 LEU 75 -2.894 -3.795 9.702 596 H GLU 76 H GLU 76 -4.606 -4.093 14.837 597 HA GLU 76 HA GLU 76 -3.565 -4.811 16.687 598 HB2 GLU 76 2HB GLU 76 -1.477 -4.129 15.285 599 HB3 GLU 76 3HB GLU 76 -1.363 -2.797 16.427 600 HG2 GLU 76 2HG GLU 76 0.039 -4.591 17.172 601 HG3 GLU 76 3HG GLU 76 -1.329 -4.434 18.274 602 H HIS 77 H HIS 77 -4.657 -1.674 16.303 603 HA HIS 77 HA HIS 77 -4.362 -0.949 19.089 604 HB2 HIS 77 2HB HIS 77 -4.500 0.744 17.196 605 HB3 HIS 77 3HB HIS 77 -6.207 0.335 17.066 606 HD1 HIS 77 HD1 HIS 77 -7.790 1.280 18.830 607 HD2 HIS 77 HD2 HIS 77 -3.787 2.160 19.546 608 HE1 HIS 77 HE1 HIS 77 -7.788 2.987 20.681 609 HE2 HIS 77 HE2 HIS 77 -5.362 3.583 21.025 610 H HIS 78 H HIS 78 -5.237 -3.252 19.296 611 HA HIS 78 HA HIS 78 -7.973 -3.143 20.211 612 HB2 HIS 78 2HB HIS 78 -8.233 -3.731 17.806 613 HB3 HIS 78 3HB HIS 78 -7.119 -5.073 18.017 614 HD1 HIS 78 HD1 HIS 78 -10.633 -4.302 17.951 615 HD2 HIS 78 HD2 HIS 78 -8.238 -7.101 19.884 616 HE1 HIS 78 HE1 HIS 78 -12.189 -6.136 18.688 617 HE2 HIS 78 HE2 HIS 78 -10.689 -7.903 19.677 618 H HIS 79 H HIS 79 -8.247 -4.651 21.872 619 HA HIS 79 HA HIS 79 -5.940 -5.733 23.063 620 HB2 HIS 79 2HB HIS 79 -8.877 -6.141 23.509 621 HB3 HIS 79 3HB HIS 79 -7.707 -7.150 24.358 622 HD1 HIS 79 HD1 HIS 79 -7.118 -6.271 26.577 623 HD2 HIS 79 HD2 HIS 79 -8.126 -3.218 23.941 624 HE1 HIS 79 HE1 HIS 79 -6.930 -4.140 27.902 625 HE2 HIS 79 HE2 HIS 79 -7.405 -2.293 26.248 626 H HIS 80 H HIS 80 -4.736 -7.135 22.048 627 HA HIS 80 HA HIS 80 -5.641 -8.879 20.019 628 HB2 HIS 80 2HB HIS 80 -3.298 -7.847 20.432 629 HB3 HIS 80 3HB HIS 80 -3.039 -9.214 21.506 630 HD1 HIS 80 HD1 HIS 80 -2.587 -8.189 18.095 631 HD2 HIS 80 HD2 HIS 80 -3.396 -11.787 20.035 632 HE1 HIS 80 HE1 HIS 80 -1.962 -10.004 16.466 633 HE2 HIS 80 HE2 HIS 80 -2.264 -12.156 17.745 634 H HIS 81 H HIS 81 -5.640 -9.121 23.394 635 HA HIS 81 HA HIS 81 -6.512 -10.672 24.806 636 HB2 HIS 81 2HB HIS 81 -8.097 -11.218 22.965 637 HB3 HIS 81 3HB HIS 81 -6.950 -12.402 22.357 638 HD1 HIS 81 HD1 HIS 81 -7.882 -14.631 22.856 639 HD2 HIS 81 HD2 HIS 81 -8.405 -11.987 26.026 640 HE1 HIS 81 HE1 HIS 81 -8.973 -15.973 24.689 641 HE2 HIS 81 HE2 HIS 81 -9.151 -14.391 26.643 642 H HIS 82 H HIS 82 -3.831 -11.011 22.947 643 HA HIS 82 HA HIS 82 -2.525 -12.694 24.856 644 HB2 HIS 82 2HB HIS 82 -3.597 -14.357 23.292 645 HB3 HIS 82 3HB HIS 82 -2.653 -13.656 21.985 646 HD1 HIS 82 HD1 HIS 82 -0.345 -14.547 21.649 647 HD2 HIS 82 HD2 HIS 82 -1.960 -15.648 25.319 648 HE1 HIS 82 HE1 HIS 82 1.281 -16.190 22.639 649 HE2 HIS 82 HE2 HIS 82 0.197 -16.977 24.780 650 H1 MET 1 1H MET 1 -24.084 -17.954 -7.364 651 H2 MET 1 2H MET 1 -23.746 -16.549 -8.248 652 H3 MET 1 3H MET 1 -22.657 -17.087 -7.064 653 HA MET 1 HA MET 1 -21.882 -17.574 -9.312 654 HB2 MET 1 2HB MET 1 -22.622 -19.951 -7.592 655 HB3 MET 1 3HB MET 1 -21.531 -20.045 -8.966 656 HG2 MET 1 2HG MET 1 -21.105 -18.343 -6.526 657 HG3 MET 1 3HG MET 1 -20.356 -19.910 -6.829 658 HE1 MET 1 3HE MET 1 -17.462 -17.231 -7.230 659 HE2 MET 1 1HE MET 1 -17.969 -18.681 -6.360 660 HE3 MET 1 2HE MET 1 -18.840 -17.165 -6.130 661 H LYS 2 H LYS 2 -22.940 -17.330 -11.183 662 HA LYS 2 HA LYS 2 -24.857 -19.447 -11.899 663 HB2 LYS 2 2HB LYS 2 -24.980 -16.512 -12.619 664 HB3 LYS 2 3HB LYS 2 -25.967 -17.748 -13.384 665 HG2 LYS 2 2HG LYS 2 -27.047 -18.247 -11.283 666 HG3 LYS 2 3HG LYS 2 -25.991 -17.106 -10.443 667 HD2 LYS 2 2HD LYS 2 -26.932 -15.266 -11.725 668 HD3 LYS 2 3HD LYS 2 -27.945 -16.394 -12.632 669 HE2 LYS 2 2HE LYS 2 -29.156 -16.985 -10.645 670 HE3 LYS 2 3HE LYS 2 -28.065 -16.025 -9.645 671 HZ1 LYS 2 3HZ LYS 2 -30.211 -14.928 -10.149 672 HZ2 LYS 2 1HZ LYS 2 -29.777 -14.892 -11.786 673 HZ3 LYS 2 2HZ LYS 2 -28.861 -14.032 -10.651 674 H LYS 3 H LYS 3 -24.187 -20.628 -13.530 675 HA LYS 3 HA LYS 3 -23.243 -21.325 -15.456 676 HB2 LYS 3 2HB LYS 3 -22.987 -18.371 -16.012 677 HB3 LYS 3 3HB LYS 3 -22.654 -19.636 -17.186 678 HG2 LYS 3 2HG LYS 3 -25.307 -19.140 -15.849 679 HG3 LYS 3 3HG LYS 3 -24.874 -18.660 -17.493 680 HD2 LYS 3 2HD LYS 3 -24.582 -20.981 -18.124 681 HD3 LYS 3 3HD LYS 3 -24.899 -21.498 -16.466 682 HE2 LYS 3 2HE LYS 3 -26.849 -20.070 -18.272 683 HE3 LYS 3 3HE LYS 3 -26.855 -21.796 -17.917 684 HZ1 LYS 3 3HZ LYS 3 -28.426 -20.900 -16.479 685 HZ2 LYS 3 1HZ LYS 3 -27.480 -19.540 -16.108 686 HZ3 LYS 3 2HZ LYS 3 -27.055 -21.060 -15.496 687 H MET 4 H MET 4 -21.684 -20.577 -12.991 688 HA MET 4 HA MET 4 -19.566 -20.618 -12.216 689 HB2 MET 4 2HB MET 4 -19.510 -22.727 -13.493 690 HB3 MET 4 3HB MET 4 -18.918 -21.850 -14.898 691 HG2 MET 4 2HG MET 4 -16.919 -21.201 -13.645 692 HG3 MET 4 3HG MET 4 -17.513 -22.095 -12.247 693 HE1 MET 4 3HE MET 4 -14.504 -24.300 -13.489 694 HE2 MET 4 1HE MET 4 -15.220 -23.474 -12.104 695 HE3 MET 4 2HE MET 4 -14.618 -22.540 -13.474 696 H ALA 5 H ALA 5 -19.012 -18.528 -11.967 697 HA ALA 5 HA ALA 5 -18.079 -16.950 -14.198 698 HB1 ALA 5 3HB ALA 5 -17.758 -15.173 -12.551 699 HB2 ALA 5 1HB ALA 5 -18.122 -16.308 -11.250 700 HB3 ALA 5 2HB ALA 5 -19.368 -15.884 -12.424 701 H GLU 6 H GLU 6 -16.724 -19.075 -11.908 702 HA GLU 6 HA GLU 6 -14.629 -19.749 -11.398 703 HB2 GLU 6 2HB GLU 6 -14.393 -19.951 -13.840 704 HB3 GLU 6 3HB GLU 6 -13.852 -18.281 -13.921 705 HG2 GLU 6 2HG GLU 6 -11.929 -18.890 -12.485 706 HG3 GLU 6 3HG GLU 6 -12.448 -20.573 -12.573 707 H PHE 7 H PHE 7 -14.573 -18.563 -9.544 708 HA PHE 7 HA PHE 7 -13.684 -17.174 -8.004 709 HB2 PHE 7 2HB PHE 7 -11.740 -16.807 -10.229 710 HB3 PHE 7 3HB PHE 7 -11.704 -15.661 -8.894 711 HD1 PHE 7 HD1 PHE 7 -11.206 -19.162 -9.867 712 HD2 PHE 7 HD2 PHE 7 -10.978 -16.314 -6.712 713 HE1 PHE 7 HE1 PHE 7 -9.889 -20.752 -8.528 714 HE2 PHE 7 HE2 PHE 7 -9.653 -17.894 -5.372 715 HZ PHE 7 HZ PHE 7 -9.108 -20.116 -6.277 716 H THR 8 H THR 8 -15.376 -15.924 -7.636 717 HA THR 8 HA THR 8 -15.671 -13.447 -9.156 718 HB THR 8 HB THR 8 -17.446 -14.626 -6.999 719 HG1 THR 8 HG1 THR 8 -17.486 -14.710 -9.829 720 HG21 THR 8 3HG2 THR 8 -17.903 -12.279 -8.852 721 HG22 THR 8 1HG2 THR 8 -17.622 -12.186 -7.113 722 HG23 THR 8 2HG2 THR 8 -19.087 -12.952 -7.730 723 H PHE 9 H PHE 9 -14.697 -11.688 -8.427 724 HA PHE 9 HA PHE 9 -13.946 -11.595 -5.586 725 HB2 PHE 9 2HB PHE 9 -12.204 -9.910 -6.362 726 HB3 PHE 9 3HB PHE 9 -11.943 -11.582 -6.840 727 HD1 PHE 9 HD2 PHE 9 -12.168 -12.262 -9.158 728 HD2 PHE 9 HD1 PHE 9 -12.710 -8.205 -7.991 729 HE1 PHE 9 HE2 PHE 9 -11.965 -11.564 -11.509 730 HE2 PHE 9 HE1 PHE 9 -12.505 -7.499 -10.338 731 HZ PHE 9 HZ PHE 9 -12.134 -9.180 -12.102 732 H GLU 10 H GLU 10 -14.797 -10.081 -4.336 733 HA GLU 10 HA GLU 10 -15.775 -7.602 -5.484 734 HB2 GLU 10 2HB GLU 10 -17.634 -9.236 -5.780 735 HB3 GLU 10 3HB GLU 10 -17.666 -9.468 -4.037 736 HG2 GLU 10 2HG GLU 10 -18.400 -7.249 -3.667 737 HG3 GLU 10 3HG GLU 10 -18.087 -6.797 -5.344 738 H ILE 11 H ILE 11 -16.272 -6.008 -3.904 739 HA ILE 11 HA ILE 11 -14.618 -6.223 -1.560 740 HB ILE 11 HB ILE 11 -16.440 -3.953 -2.380 741 HG12 ILE 11 2HG1 ILE 11 -13.482 -4.300 -2.922 742 HG13 ILE 11 3HG1 ILE 11 -14.751 -4.548 -4.118 743 HG21 ILE 11 1HG2 ILE 11 -14.085 -4.045 -0.502 744 HG22 ILE 11 2HG2 ILE 11 -15.778 -3.860 -0.045 745 HG23 ILE 11 3HG2 ILE 11 -14.966 -2.589 -0.962 746 HD11 ILE 11 3HD1 ILE 11 -15.395 -2.210 -3.924 747 HD12 ILE 11 1HD1 ILE 11 -13.698 -2.374 -4.371 748 HD13 ILE 11 2HD1 ILE 11 -14.138 -1.960 -2.714 749 H GLU 12 H GLU 12 -15.259 -6.776 0.421 750 HA GLU 12 HA GLU 12 -18.140 -6.883 1.012 751 HB2 GLU 12 2HB GLU 12 -15.759 -8.291 2.217 752 HB3 GLU 12 3HB GLU 12 -17.348 -8.312 2.967 753 HG2 GLU 12 2HG GLU 12 -16.886 -9.228 0.151 754 HG3 GLU 12 3HG GLU 12 -16.720 -10.300 1.540 755 H GLU 13 H GLU 13 -15.092 -5.528 2.039 756 HA GLU 13 HA GLU 13 -16.391 -3.726 3.907 757 HB2 GLU 13 2HB GLU 13 -15.995 -5.793 5.223 758 HB3 GLU 13 3HB GLU 13 -14.291 -5.720 4.808 759 HG2 GLU 13 2HG GLU 13 -14.169 -3.533 5.987 760 HG3 GLU 13 3HG GLU 13 -15.830 -3.790 6.520 761 H HIS 14 H HIS 14 -15.223 -1.809 4.087 762 HA HIS 14 HA HIS 14 -12.570 -1.849 2.805 763 HB2 HIS 14 2HB HIS 14 -12.870 0.542 2.265 764 HB3 HIS 14 3HB HIS 14 -14.071 -0.479 1.494 765 HD1 HIS 14 HD1 HIS 14 -16.528 -0.150 2.181 766 HD2 HIS 14 HD2 HIS 14 -13.864 2.352 4.174 767 HE1 HIS 14 HE1 HIS 14 -17.936 1.651 3.231 768 HE2 HIS 14 HE2 HIS 14 -16.290 3.255 4.262 769 H LEU 15 H LEU 15 -10.840 -1.071 3.838 770 HA LEU 15 HA LEU 15 -11.195 -0.647 6.706 771 HB2 LEU 15 2HB LEU 15 -8.827 -1.401 5.008 772 HB3 LEU 15 3HB LEU 15 -8.668 -0.969 6.699 773 HG LEU 15 HG LEU 15 -10.430 -3.225 5.757 774 HD11 LEU 15 1HD1 LEU 15 -8.617 -4.725 6.422 775 HD12 LEU 15 2HD1 LEU 15 -7.577 -3.335 6.733 776 HD13 LEU 15 3HD1 LEU 15 -8.122 -3.679 5.091 777 HD21 LEU 15 3HD2 LEU 15 -9.242 -2.521 8.437 778 HD22 LEU 15 1HD2 LEU 15 -10.256 -3.921 8.091 779 HD23 LEU 15 2HD2 LEU 15 -10.926 -2.295 7.963 780 H LEU 16 H LEU 16 -9.374 0.760 3.985 781 HA LEU 16 HA LEU 16 -9.106 3.220 5.578 782 HB2 LEU 16 2HB LEU 16 -7.064 1.410 4.998 783 HB3 LEU 16 3HB LEU 16 -6.833 2.727 3.867 784 HG LEU 16 HG LEU 16 -5.498 3.088 5.849 785 HD11 LEU 16 1HD1 LEU 16 -6.408 5.054 4.741 786 HD12 LEU 16 2HD1 LEU 16 -6.286 5.307 6.482 787 HD13 LEU 16 3HD1 LEU 16 -7.853 4.963 5.748 788 HD21 LEU 16 3HD2 LEU 16 -8.079 3.096 7.397 789 HD22 LEU 16 1HD2 LEU 16 -6.451 3.322 8.035 790 HD23 LEU 16 2HD2 LEU 16 -6.927 1.760 7.373 791 H THR 17 H THR 17 -10.548 4.400 4.385 792 HA THR 17 HA THR 17 -10.200 4.669 1.530 793 HB THR 17 HB THR 17 -11.785 6.470 3.378 794 HG1 THR 17 HG1 THR 17 -13.114 4.559 1.849 795 HG21 THR 17 3HG2 THR 17 -11.357 7.408 1.164 796 HG22 THR 17 1HG2 THR 17 -13.059 6.978 1.333 797 HG23 THR 17 2HG2 THR 17 -11.973 5.940 0.408 798 H LEU 18 H LEU 18 -8.189 5.433 1.086 799 HA LEU 18 HA LEU 18 -6.842 7.380 2.643 800 HB2 LEU 18 2HB LEU 18 -6.356 6.543 -0.219 801 HB3 LEU 18 3HB LEU 18 -5.243 7.465 0.774 802 HG LEU 18 HG LEU 18 -6.122 4.624 1.313 803 HD11 LEU 18 1HD1 LEU 18 -3.830 4.034 0.711 804 HD12 LEU 18 2HD1 LEU 18 -3.502 5.718 0.299 805 HD13 LEU 18 3HD1 LEU 18 -4.673 4.792 -0.639 806 HD21 LEU 18 3HD2 LEU 18 -4.402 4.649 3.039 807 HD22 LEU 18 1HD2 LEU 18 -5.628 5.877 3.357 808 HD23 LEU 18 2HD2 LEU 18 -4.062 6.344 2.691 809 H SER 19 H SER 19 -7.897 7.661 -0.740 810 HA SER 19 HA SER 19 -9.507 9.901 -0.518 811 HB2 SER 19 2HB SER 19 -8.026 11.733 -1.217 812 HB3 SER 19 3HB SER 19 -7.466 11.061 0.315 813 HG SER 19 HG SER 19 -5.654 10.569 -0.624 814 H GLU 20 H GLU 20 -9.275 11.207 -2.806 815 HA GLU 20 HA GLU 20 -8.865 9.144 -4.853 816 HB2 GLU 20 2HB GLU 20 -10.357 10.403 -6.296 817 HB3 GLU 20 3HB GLU 20 -11.161 10.064 -4.771 818 HG2 GLU 20 2HG GLU 20 -10.758 12.315 -4.012 819 HG3 GLU 20 3HG GLU 20 -9.831 12.665 -5.472 820 H ASN 21 H ASN 21 -7.513 9.551 -6.539 821 HA ASN 21 HA ASN 21 -5.966 12.041 -6.335 822 HB2 ASN 21 2HB ASN 21 -4.029 10.760 -7.280 823 HB3 ASN 21 3HB ASN 21 -4.522 10.259 -5.669 824 HD21 ASN 21 1HD2 ASN 21 -4.410 9.376 -9.037 825 HD22 ASN 21 2HD2 ASN 21 -4.742 7.696 -8.806 826 H GLU 22 H GLU 22 -5.084 12.895 -8.234 827 HA GLU 22 HA GLU 22 -5.129 13.659 -10.350 828 HB2 GLU 22 2HB GLU 22 -5.909 10.826 -11.063 829 HB3 GLU 22 3HB GLU 22 -5.229 12.029 -12.154 830 HG2 GLU 22 2HG GLU 22 -3.223 12.100 -10.633 831 HG3 GLU 22 3HG GLU 22 -3.893 10.684 -9.826 832 H LYS 23 H LYS 23 -7.631 13.497 -8.688 833 HA LYS 23 HA LYS 23 -9.786 14.141 -8.801 834 HB2 LYS 23 2HB LYS 23 -8.938 16.004 -10.105 835 HB3 LYS 23 3HB LYS 23 -9.001 15.041 -11.574 836 HG2 LYS 23 2HG LYS 23 -11.394 14.979 -11.499 837 HG3 LYS 23 3HG LYS 23 -11.406 15.767 -9.922 838 HD2 LYS 23 2HD LYS 23 -10.274 17.014 -12.420 839 HD3 LYS 23 3HD LYS 23 -11.924 17.278 -11.850 840 HE2 LYS 23 2HE LYS 23 -11.087 18.224 -9.782 841 HE3 LYS 23 3HE LYS 23 -9.427 17.883 -10.267 842 HZ1 LYS 23 3HZ LYS 23 -9.559 19.468 -11.990 843 HZ2 LYS 23 1HZ LYS 23 -10.183 20.219 -10.606 844 HZ3 LYS 23 2HZ LYS 23 -11.235 19.656 -11.812 845 H GLY 24 H GLY 24 -10.900 12.288 -8.598 846 HA2 GLY 24 2HA GLY 24 -12.801 11.224 -9.713 847 HA3 GLY 24 3HA GLY 24 -11.780 11.053 -11.130 848 H TRP 25 H TRP 25 -9.412 10.072 -9.830 849 HA TRP 25 HA TRP 25 -10.383 7.338 -9.685 850 HB2 TRP 25 2HB TRP 25 -7.674 8.570 -10.045 851 HB3 TRP 25 3HB TRP 25 -7.828 6.873 -9.598 852 HD1 TRP 25 HD1 TRP 25 -9.040 9.253 -12.412 853 HE1 TRP 25 HE1 TRP 25 -9.265 7.875 -14.575 854 HE3 TRP 25 HE3 TRP 25 -7.901 4.631 -10.545 855 HZ2 TRP 25 HZ2 TRP 25 -8.980 5.184 -15.380 856 HZ3 TRP 25 HZ3 TRP 25 -7.895 2.708 -12.083 857 HH2 TRP 25 HH2 TRP 25 -8.423 2.980 -14.448 858 H THR 26 H THR 26 -11.102 6.703 -7.802 859 HA THR 26 HA THR 26 -10.029 7.875 -5.373 860 HB THR 26 HB THR 26 -12.201 5.789 -5.525 861 HG1 THR 26 HG1 THR 26 -12.314 8.052 -6.780 862 HG21 THR 26 3HG2 THR 26 -11.269 6.370 -3.307 863 HG22 THR 26 1HG2 THR 26 -12.961 6.842 -3.466 864 HG23 THR 26 2HG2 THR 26 -11.689 8.058 -3.597 865 H LYS 27 H LYS 27 -8.927 6.779 -3.816 866 HA LYS 27 HA LYS 27 -8.051 4.061 -4.505 867 HB2 LYS 27 2HB LYS 27 -6.343 5.568 -5.250 868 HB3 LYS 27 3HB LYS 27 -6.382 6.449 -3.735 869 HG2 LYS 27 2HG LYS 27 -5.461 4.516 -2.577 870 HG3 LYS 27 3HG LYS 27 -5.436 3.620 -4.099 871 HD2 LYS 27 2HD LYS 27 -3.231 4.484 -3.683 872 HD3 LYS 27 3HD LYS 27 -3.934 5.357 -5.042 873 HE2 LYS 27 2HE LYS 27 -3.928 6.375 -2.202 874 HE3 LYS 27 3HE LYS 27 -2.696 6.779 -3.390 875 HZ1 LYS 27 3HZ LYS 27 -4.450 7.760 -4.780 876 HZ2 LYS 27 1HZ LYS 27 -4.337 8.519 -3.263 877 HZ3 LYS 27 2HZ LYS 27 -5.588 7.422 -3.576 878 H GLU 28 H GLU 28 -8.367 2.699 -2.911 879 HA GLU 28 HA GLU 28 -8.200 3.607 -0.138 880 HB2 GLU 28 2HB GLU 28 -10.354 2.522 0.406 881 HB3 GLU 28 3HB GLU 28 -10.548 3.884 -0.690 882 HG2 GLU 28 2HG GLU 28 -10.766 2.378 -2.573 883 HG3 GLU 28 3HG GLU 28 -10.488 0.992 -1.519 884 H ILE 29 H ILE 29 -8.044 1.883 1.372 885 HA ILE 29 HA ILE 29 -7.066 -0.632 0.198 886 HB ILE 29 HB ILE 29 -6.687 0.359 3.032 887 HG12 ILE 29 2HG1 ILE 29 -4.758 0.493 0.697 888 HG13 ILE 29 3HG1 ILE 29 -5.610 1.869 1.390 889 HG21 ILE 29 1HG2 ILE 29 -6.512 -2.055 2.777 890 HG22 ILE 29 2HG2 ILE 29 -4.933 -1.351 3.125 891 HG23 ILE 29 3HG2 ILE 29 -5.336 -1.848 1.480 892 HD11 ILE 29 3HD1 ILE 29 -3.317 1.777 2.159 893 HD12 ILE 29 1HD1 ILE 29 -3.580 0.155 2.804 894 HD13 ILE 29 2HD1 ILE 29 -4.434 1.532 3.501 895 H ASN 30 H ASN 30 -8.598 -2.166 0.145 896 HA ASN 30 HA ASN 30 -10.492 -2.284 2.382 897 HB2 ASN 30 2HB ASN 30 -12.329 -2.752 0.758 898 HB3 ASN 30 3HB ASN 30 -11.687 -1.119 0.664 899 HD21 ASN 30 1HD2 ASN 30 -12.236 -0.676 -1.390 900 HD22 ASN 30 2HD2 ASN 30 -11.593 -1.514 -2.765 901 H ARG 31 H ARG 31 -12.000 -4.363 1.828 902 HA ARG 31 HA ARG 31 -10.063 -6.563 1.580 903 HB2 ARG 31 2HB ARG 31 -12.691 -6.548 3.073 904 HB3 ARG 31 3HB ARG 31 -11.513 -7.855 3.041 905 HG2 ARG 31 2HG ARG 31 -9.880 -6.315 4.116 906 HG3 ARG 31 3HG ARG 31 -11.183 -5.138 4.283 907 HD2 ARG 31 2HD ARG 31 -10.888 -6.422 6.339 908 HD3 ARG 31 3HD ARG 31 -12.464 -6.732 5.610 909 HE ARG 31 HE ARG 31 -10.490 -8.632 4.785 910 HH11 ARG 31 1HH1 ARG 31 -12.694 -7.806 7.361 911 HH12 ARG 31 2HH1 ARG 31 -12.853 -9.439 7.934 912 HH21 ARG 31 1HH2 ARG 31 -10.681 -10.781 5.510 913 HH22 ARG 31 2HH2 ARG 31 -11.703 -11.148 6.867 914 H VAL 32 H VAL 32 -10.230 -7.638 -0.235 915 HA VAL 32 HA VAL 32 -12.837 -7.793 -1.587 916 HB VAL 32 HB VAL 32 -10.084 -8.360 -2.710 917 HG11 VAL 32 1HG1 VAL 32 -12.766 -8.161 -4.073 918 HG12 VAL 32 2HG1 VAL 32 -11.816 -9.630 -3.844 919 HG13 VAL 32 3HG1 VAL 32 -11.213 -8.343 -4.889 920 HG21 VAL 32 3HG2 VAL 32 -10.346 -5.996 -2.197 921 HG22 VAL 32 1HG2 VAL 32 -11.872 -5.959 -3.082 922 HG23 VAL 32 2HG2 VAL 32 -10.359 -6.256 -3.941 923 H SER 33 H SER 33 -13.909 -9.646 -1.467 924 HA SER 33 HA SER 33 -12.609 -12.025 -0.451 925 HB2 SER 33 2HB SER 33 -15.480 -11.546 -1.293 926 HB3 SER 33 3HB SER 33 -14.876 -12.995 -0.488 927 HG SER 33 HG SER 33 -15.860 -11.209 0.832 928 H PHE 34 H PHE 34 -11.983 -13.731 -1.612 929 HA PHE 34 HA PHE 34 -12.388 -13.574 -4.515 930 HB2 PHE 34 2HB PHE 34 -10.248 -15.001 -2.921 931 HB3 PHE 34 3HB PHE 34 -10.389 -15.039 -4.675 932 HD1 PHE 34 HD2 PHE 34 -10.140 -12.896 -5.960 933 HD2 PHE 34 HD1 PHE 34 -9.168 -13.226 -1.828 934 HE1 PHE 34 HE2 PHE 34 -8.790 -10.845 -6.120 935 HE2 PHE 34 HE1 PHE 34 -7.819 -11.170 -1.979 936 HZ PHE 34 HZ PHE 34 -7.626 -9.978 -4.125 937 H ASN 35 H ASN 35 -14.244 -14.644 -4.873 938 HA ASN 35 HA ASN 35 -15.439 -16.457 -5.530 939 HB2 ASN 35 2HB ASN 35 -13.197 -17.418 -6.099 940 HB3 ASN 35 3HB ASN 35 -13.159 -18.156 -4.504 941 HD21 ASN 35 1HD2 ASN 35 -13.062 -19.412 -7.102 942 HD22 ASN 35 2HD2 ASN 35 -14.399 -20.511 -7.175 943 H GLY 36 H GLY 36 -13.788 -17.726 -2.618 944 HA2 GLY 36 2HA GLY 36 -16.381 -18.823 -1.821 945 HA3 GLY 36 3HA GLY 36 -14.814 -19.335 -1.218 946 H ALA 37 H ALA 37 -13.705 -17.876 0.279 947 HA ALA 37 HA ALA 37 -15.606 -16.305 1.848 948 HB1 ALA 37 3HB ALA 37 -13.795 -18.399 3.022 949 HB2 ALA 37 1HB ALA 37 -15.533 -18.578 2.763 950 HB3 ALA 37 2HB ALA 37 -14.930 -17.375 3.904 951 HA PRO 38 HA PRO 38 -10.898 -15.275 3.163 952 HB2 PRO 38 2HB PRO 38 -9.416 -15.343 0.765 953 HB3 PRO 38 3HB PRO 38 -9.248 -16.429 2.147 954 HG2 PRO 38 2HG PRO 38 -10.757 -16.806 -0.393 955 HG3 PRO 38 3HG PRO 38 -9.883 -17.999 0.587 956 HD2 PRO 38 2HD PRO 38 -12.549 -17.898 0.627 957 HD3 PRO 38 3HD PRO 38 -11.632 -18.197 2.118 958 H ALA 39 H ALA 39 -11.423 -13.203 3.410 959 HA ALA 39 HA ALA 39 -11.564 -11.473 1.033 960 HB1 ALA 39 3HB ALA 39 -12.613 -9.817 2.487 961 HB2 ALA 39 1HB ALA 39 -12.417 -10.892 3.871 962 HB3 ALA 39 2HB ALA 39 -13.493 -11.345 2.549 963 H LYS 40 H LYS 40 -9.511 -10.941 0.553 964 HA LYS 40 HA LYS 40 -7.540 -10.619 2.662 965 HB2 LYS 40 2HB LYS 40 -7.436 -11.616 0.098 966 HB3 LYS 40 3HB LYS 40 -6.700 -10.031 -0.083 967 HG2 LYS 40 2HG LYS 40 -4.957 -11.574 0.336 968 HG3 LYS 40 3HG LYS 40 -5.171 -10.628 1.813 969 HD2 LYS 40 2HD LYS 40 -6.433 -12.421 2.826 970 HD3 LYS 40 3HD LYS 40 -6.379 -13.348 1.325 971 HE2 LYS 40 2HE LYS 40 -3.898 -13.389 1.519 972 HE3 LYS 40 3HE LYS 40 -4.055 -12.620 3.099 973 HZ1 LYS 40 3HZ LYS 40 -5.262 -15.230 2.353 974 HZ2 LYS 40 1HZ LYS 40 -5.310 -14.503 3.885 975 HZ3 LYS 40 2HZ LYS 40 -3.834 -15.046 3.249 976 H PHE 41 H PHE 41 -5.985 -8.757 2.484 977 HA PHE 41 HA PHE 41 -7.501 -6.281 2.237 978 HB2 PHE 41 2HB PHE 41 -4.640 -6.633 3.168 979 HB3 PHE 41 3HB PHE 41 -5.666 -5.225 3.405 980 HD1 PHE 41 HD2 PHE 41 -8.165 -6.767 4.226 981 HD2 PHE 41 HD1 PHE 41 -4.095 -7.050 5.432 982 HE1 PHE 41 HE2 PHE 41 -8.879 -7.660 6.399 983 HE2 PHE 41 HE1 PHE 41 -4.799 -7.956 7.609 984 HZ PHE 41 HZ PHE 41 -7.198 -8.258 8.097 985 H ASP 42 H ASP 42 -7.237 -4.894 0.545 986 HA ASP 42 HA ASP 42 -4.837 -5.163 -1.118 987 HB2 ASP 42 2HB ASP 42 -6.784 -6.598 -2.003 988 HB3 ASP 42 3HB ASP 42 -7.568 -5.074 -2.397 989 H ILE 43 H ILE 43 -4.163 -3.280 -2.013 990 HA ILE 43 HA ILE 43 -5.656 -0.855 -1.314 991 HB ILE 43 HB ILE 43 -2.884 -1.052 -2.508 992 HG12 ILE 43 2HG1 ILE 43 -3.675 -0.752 0.398 993 HG13 ILE 43 3HG1 ILE 43 -2.993 -2.203 -0.328 994 HG21 ILE 43 1HG2 ILE 43 -3.976 1.103 -2.822 995 HG22 ILE 43 2HG2 ILE 43 -2.633 1.239 -1.686 996 HG23 ILE 43 3HG2 ILE 43 -4.292 1.208 -1.090 997 HD11 ILE 43 3HD1 ILE 43 -0.937 -0.990 -0.828 998 HD12 ILE 43 1HD1 ILE 43 -1.309 -0.968 0.895 999 HD13 ILE 43 2HD1 ILE 43 -1.617 0.460 -0.092 1000 H ARG 44 H ARG 44 -7.139 -0.337 -2.847 1001 HA ARG 44 HA ARG 44 -6.431 -0.855 -5.663 1002 HB2 ARG 44 2HB ARG 44 -9.083 -0.994 -4.243 1003 HB3 ARG 44 3HB ARG 44 -8.957 -0.935 -5.997 1004 HG2 ARG 44 2HG ARG 44 -7.652 -3.024 -4.275 1005 HG3 ARG 44 3HG ARG 44 -9.214 -3.218 -5.077 1006 HD2 ARG 44 2HD ARG 44 -8.263 -3.210 -7.200 1007 HD3 ARG 44 3HD ARG 44 -6.783 -2.429 -6.637 1008 HE ARG 44 HE ARG 44 -6.431 -4.625 -5.385 1009 HH11 ARG 44 1HH1 ARG 44 -8.034 -4.401 -8.503 1010 HH12 ARG 44 2HH1 ARG 44 -7.548 -5.997 -9.002 1011 HH21 ARG 44 1HH2 ARG 44 -5.840 -6.705 -5.996 1012 HH22 ARG 44 2HH2 ARG 44 -6.299 -7.320 -7.562 1013 H ALA 45 H ALA 45 -6.593 0.702 -7.134 1014 HA ALA 45 HA ALA 45 -7.873 3.238 -6.354 1015 HB1 ALA 45 3HB ALA 45 -6.520 4.302 -8.080 1016 HB2 ALA 45 1HB ALA 45 -5.840 2.737 -8.530 1017 HB3 ALA 45 2HB ALA 45 -5.488 3.429 -6.947 1018 H TRP 46 H TRP 46 -9.910 3.273 -7.083 1019 HA TRP 46 HA TRP 46 -10.484 1.838 -9.578 1020 HB2 TRP 46 2HB TRP 46 -12.862 1.753 -8.720 1021 HB3 TRP 46 3HB TRP 46 -11.692 0.775 -7.852 1022 HD1 TRP 46 HD1 TRP 46 -11.037 1.582 -5.354 1023 HE1 TRP 46 HE1 TRP 46 -12.351 2.990 -3.637 1024 HE3 TRP 46 HE3 TRP 46 -14.455 3.716 -8.507 1025 HZ2 TRP 46 HZ2 TRP 46 -14.543 4.769 -3.633 1026 HZ3 TRP 46 HZ3 TRP 46 -16.128 5.255 -7.566 1027 HH2 TRP 46 HH2 TRP 46 -16.171 5.770 -5.178 1028 H SER 47 H SER 47 -12.015 2.688 -11.025 1029 HA SER 47 HA SER 47 -11.610 5.514 -11.394 1030 HB2 SER 47 2HB SER 47 -12.813 5.010 -13.586 1031 HB3 SER 47 3HB SER 47 -11.298 4.141 -13.320 1032 HG SER 47 HG SER 47 -12.414 2.384 -13.548 1033 HA PRO 48 HA PRO 48 -15.585 6.885 -10.005 1034 HB2 PRO 48 2HB PRO 48 -15.989 9.007 -11.657 1035 HB3 PRO 48 3HB PRO 48 -14.843 9.039 -10.313 1036 HG2 PRO 48 2HG PRO 48 -14.326 8.605 -13.230 1037 HG3 PRO 48 3HG PRO 48 -13.414 9.580 -12.063 1038 HD2 PRO 48 2HD PRO 48 -12.623 7.107 -12.832 1039 HD3 PRO 48 3HD PRO 48 -12.303 7.755 -11.211 1040 H ASP 49 H ASP 49 -15.029 6.329 -13.416 1041 HA ASP 49 HA ASP 49 -17.826 6.086 -14.080 1042 HB2 ASP 49 2HB ASP 49 -16.946 5.315 -16.288 1043 HB3 ASP 49 3HB ASP 49 -16.312 6.882 -15.794 1044 H HIS 50 H HIS 50 -15.317 4.085 -12.900 1045 HA HIS 50 HA HIS 50 -15.341 2.011 -11.991 1046 HB2 HIS 50 2HB HIS 50 -18.208 1.683 -12.879 1047 HB3 HIS 50 3HB HIS 50 -17.359 0.775 -11.634 1048 HD1 HIS 50 HD1 HIS 50 -16.312 2.781 -9.743 1049 HD2 HIS 50 HD2 HIS 50 -19.949 3.325 -11.684 1050 HE1 HIS 50 HE1 HIS 50 -17.584 4.439 -8.343 1051 HE2 HIS 50 HE2 HIS 50 -19.805 4.722 -9.511 1052 H THR 51 H THR 51 -16.023 2.640 -15.221 1053 HA THR 51 HA THR 51 -16.028 -0.126 -16.060 1054 HB THR 51 HB THR 51 -16.084 0.885 -18.387 1055 HG1 THR 51 HG1 THR 51 -15.563 3.122 -16.987 1056 HG21 THR 51 3HG2 THR 51 -18.271 1.665 -16.454 1057 HG22 THR 51 1HG2 THR 51 -18.085 0.086 -17.219 1058 HG23 THR 51 2HG2 THR 51 -18.438 1.507 -18.203 1059 H LYS 52 H LYS 52 -13.769 2.549 -15.888 1060 HA LYS 52 HA LYS 52 -11.716 1.193 -17.375 1061 HB2 LYS 52 2HB LYS 52 -11.380 3.388 -15.321 1062 HB3 LYS 52 3HB LYS 52 -10.197 2.887 -16.517 1063 HG2 LYS 52 2HG LYS 52 -11.906 3.592 -18.268 1064 HG3 LYS 52 3HG LYS 52 -12.761 4.383 -16.943 1065 HD2 LYS 52 2HD LYS 52 -10.620 5.584 -16.405 1066 HD3 LYS 52 3HD LYS 52 -9.958 4.926 -17.902 1067 HE2 LYS 52 2HE LYS 52 -10.698 6.995 -18.593 1068 HE3 LYS 52 3HE LYS 52 -12.086 5.977 -18.973 1069 HZ1 LYS 52 3HZ LYS 52 -12.886 7.916 -17.898 1070 HZ2 LYS 52 1HZ LYS 52 -11.761 7.772 -16.636 1071 HZ3 LYS 52 2HZ LYS 52 -13.023 6.650 -16.773 1072 H MET 53 H MET 53 -10.317 -0.313 -16.668 1073 HA MET 53 HA MET 53 -10.650 -1.415 -14.047 1074 HB2 MET 53 2HB MET 53 -8.693 -2.052 -16.261 1075 HB3 MET 53 3HB MET 53 -8.749 -2.923 -14.733 1076 HG2 MET 53 2HG MET 53 -11.089 -3.542 -15.212 1077 HG3 MET 53 3HG MET 53 -10.948 -2.744 -16.777 1078 HE1 MET 53 3HE MET 53 -10.987 -6.566 -17.689 1079 HE2 MET 53 1HE MET 53 -11.761 -5.003 -17.951 1080 HE3 MET 53 2HE MET 53 -11.870 -5.789 -16.375 1081 H GLY 54 H GLY 54 -9.488 -1.083 -12.264 1082 HA2 GLY 54 2HA GLY 54 -7.273 0.849 -12.445 1083 HA3 GLY 54 3HA GLY 54 -8.280 0.596 -11.025 1084 H LYS 55 H LYS 55 -5.458 0.568 -11.012 1085 HA LYS 55 HA LYS 55 -4.740 -2.253 -10.806 1086 HB2 LYS 55 2HB LYS 55 -3.092 0.273 -10.667 1087 HB3 LYS 55 3HB LYS 55 -2.427 -1.331 -10.389 1088 HG2 LYS 55 2HG LYS 55 -3.082 -1.993 -12.650 1089 HG3 LYS 55 3HG LYS 55 -3.745 -0.383 -12.925 1090 HD2 LYS 55 2HD LYS 55 -1.546 0.602 -12.684 1091 HD3 LYS 55 3HD LYS 55 -0.859 -0.970 -12.269 1092 HE2 LYS 55 2HE LYS 55 -1.429 -1.815 -14.483 1093 HE3 LYS 55 3HE LYS 55 -2.164 -0.267 -14.896 1094 HZ1 LYS 55 3HZ LYS 55 0.702 -0.622 -14.193 1095 HZ2 LYS 55 1HZ LYS 55 -0.040 0.796 -14.757 1096 HZ3 LYS 55 2HZ LYS 55 0.107 -0.550 -15.778 1097 H GLY 56 H GLY 56 -3.419 -2.904 -8.889 1098 HA2 GLY 56 2HA GLY 56 -3.723 -1.485 -6.438 1099 HA3 GLY 56 3HA GLY 56 -4.883 -2.801 -6.575 1100 H ILE 57 H ILE 57 -3.404 -3.215 -4.548 1101 HA ILE 57 HA ILE 57 -1.591 -5.330 -5.365 1102 HB ILE 57 HB ILE 57 -0.064 -3.453 -5.218 1103 HG12 ILE 57 2HG1 ILE 57 0.239 -5.226 -2.781 1104 HG13 ILE 57 3HG1 ILE 57 0.661 -5.698 -4.425 1105 HG21 ILE 57 1HG2 ILE 57 0.299 -2.244 -3.105 1106 HG22 ILE 57 2HG2 ILE 57 -1.090 -3.078 -2.406 1107 HG23 ILE 57 3HG2 ILE 57 -1.313 -1.975 -3.766 1108 HD11 ILE 57 3HD1 ILE 57 2.343 -3.950 -4.511 1109 HD12 ILE 57 1HD1 ILE 57 2.615 -5.022 -3.138 1110 HD13 ILE 57 2HD1 ILE 57 1.899 -3.429 -2.885 1111 H THR 58 H THR 58 -1.838 -7.053 -4.118 1112 HA THR 58 HA THR 58 -3.699 -6.890 -1.913 1113 HB THR 58 HB THR 58 -2.373 -9.369 -3.004 1114 HG1 THR 58 HG1 THR 58 -4.542 -7.814 -3.997 1115 HG21 THR 58 3HG2 THR 58 -3.618 -9.624 -0.896 1116 HG22 THR 58 1HG2 THR 58 -4.411 -10.470 -2.225 1117 HG23 THR 58 2HG2 THR 58 -5.044 -8.924 -1.661 1118 H LEU 59 H LEU 59 -3.262 -7.223 0.195 1119 HA LEU 59 HA LEU 59 -0.510 -7.938 0.971 1120 HB2 LEU 59 2HB LEU 59 -2.276 -5.864 2.279 1121 HB3 LEU 59 3HB LEU 59 -0.683 -6.339 2.824 1122 HG LEU 59 HG LEU 59 -1.265 -4.970 0.195 1123 HD11 LEU 59 1HD1 LEU 59 -1.693 -3.489 2.076 1124 HD12 LEU 59 2HD1 LEU 59 -0.216 -3.009 1.239 1125 HD13 LEU 59 3HD1 LEU 59 -0.121 -3.883 2.766 1126 HD21 LEU 59 3HD2 LEU 59 1.158 -4.687 0.076 1127 HD22 LEU 59 1HD2 LEU 59 0.715 -6.393 0.121 1128 HD23 LEU 59 2HD2 LEU 59 1.341 -5.608 1.570 1129 H SER 60 H SER 60 -0.315 -9.342 2.630 1130 HA SER 60 HA SER 60 -2.746 -10.504 3.756 1131 HB2 SER 60 2HB SER 60 0.107 -11.316 4.347 1132 HB3 SER 60 3HB SER 60 -1.354 -12.291 4.506 1133 HG SER 60 HG SER 60 -0.072 -11.427 2.127 1134 H ASN 61 H ASN 61 -2.790 -10.877 6.177 1135 HA ASN 61 HA ASN 61 -2.684 -8.421 7.489 1136 HB2 ASN 61 2HB ASN 61 -3.194 -9.607 9.544 1137 HB3 ASN 61 3HB ASN 61 -4.127 -10.277 8.214 1138 HD21 ASN 61 1HD2 ASN 61 -3.322 -11.404 10.813 1139 HD22 ASN 61 2HD2 ASN 61 -2.505 -12.884 10.439 1140 H GLU 62 H GLU 62 -0.301 -11.027 7.497 1141 HA GLU 62 HA GLU 62 1.413 -10.014 9.477 1142 HB2 GLU 62 2HB GLU 62 1.508 -12.292 8.388 1143 HB3 GLU 62 3HB GLU 62 2.252 -11.524 6.995 1144 HG2 GLU 62 2HG GLU 62 3.970 -12.498 8.323 1145 HG3 GLU 62 3HG GLU 62 4.086 -10.745 8.476 1146 H GLU 63 H GLU 63 1.454 -9.594 5.968 1147 HA GLU 63 HA GLU 63 3.692 -7.859 5.856 1148 HB2 GLU 63 2HB GLU 63 1.457 -7.968 3.832 1149 HB3 GLU 63 3HB GLU 63 3.164 -7.651 3.554 1150 HG2 GLU 63 2HG GLU 63 3.745 -9.917 3.928 1151 HG3 GLU 63 3HG GLU 63 2.142 -10.293 4.554 1152 H PHE 64 H PHE 64 0.255 -7.426 6.147 1153 HA PHE 64 HA PHE 64 -0.016 -4.697 5.651 1154 HB2 PHE 64 2HB PHE 64 -1.727 -6.689 6.164 1155 HB3 PHE 64 3HB PHE 64 -1.680 -5.974 7.771 1156 HD1 PHE 64 HD2 PHE 64 -1.979 -4.846 4.228 1157 HD2 PHE 64 HD1 PHE 64 -3.315 -4.450 8.249 1158 HE1 PHE 64 HE2 PHE 64 -3.655 -3.195 3.505 1159 HE2 PHE 64 HE1 PHE 64 -4.994 -2.804 7.533 1160 HZ PHE 64 HZ PHE 64 -5.165 -2.175 5.156 1161 H GLN 65 H GLN 65 0.446 -6.406 8.755 1162 HA GLN 65 HA GLN 65 0.612 -4.051 10.313 1163 HB2 GLN 65 2HB GLN 65 0.113 -6.241 11.291 1164 HB3 GLN 65 3HB GLN 65 1.726 -6.804 10.884 1165 HG2 GLN 65 2HG GLN 65 1.460 -6.195 13.258 1166 HG3 GLN 65 3HG GLN 65 2.719 -5.275 12.436 1167 HE21 GLN 65 1HE2 GLN 65 -0.484 -5.159 13.794 1168 HE22 GLN 65 2HE2 GLN 65 -0.582 -3.436 13.902 1169 H THR 66 H THR 66 2.968 -5.847 8.467 1170 HA THR 66 HA THR 66 5.334 -4.878 9.548 1171 HB THR 66 HB THR 66 4.789 -5.420 6.622 1172 HG1 THR 66 HG1 THR 66 4.299 -7.198 8.084 1173 HG21 THR 66 3HG2 THR 66 6.894 -4.230 7.006 1174 HG22 THR 66 1HG2 THR 66 7.190 -5.891 6.497 1175 HG23 THR 66 2HG2 THR 66 7.367 -5.444 8.194 1176 H MET 67 H MET 67 3.311 -3.461 6.966 1177 HA MET 67 HA MET 67 4.975 -1.149 6.708 1178 HB2 MET 67 2HB MET 67 3.353 -0.280 5.204 1179 HB3 MET 67 3HB MET 67 3.421 -2.014 4.919 1180 HG2 MET 67 2HG MET 67 1.377 -2.361 6.088 1181 HG3 MET 67 3HG MET 67 1.353 -0.691 6.646 1182 HE1 MET 67 3HE MET 67 -1.031 -0.198 5.889 1183 HE2 MET 67 1HE MET 67 -1.208 -1.885 5.399 1184 HE3 MET 67 2HE MET 67 -1.680 -0.595 4.295 1185 H VAL 68 H VAL 68 2.078 -1.899 8.582 1186 HA VAL 68 HA VAL 68 1.372 0.709 9.330 1187 HB VAL 68 HB VAL 68 0.951 -1.891 10.818 1188 HG11 VAL 68 1HG1 VAL 68 -0.847 -0.735 12.031 1189 HG12 VAL 68 2HG1 VAL 68 -0.390 0.788 11.265 1190 HG13 VAL 68 3HG1 VAL 68 0.724 -0.007 12.375 1191 HG21 VAL 68 3HG2 VAL 68 -1.356 -1.626 9.875 1192 HG22 VAL 68 1HG2 VAL 68 -0.097 -1.920 8.671 1193 HG23 VAL 68 2HG2 VAL 68 -0.735 -0.293 8.904 1194 H ASP 69 H ASP 69 3.245 -1.682 11.247 1195 HA ASP 69 HA ASP 69 4.005 0.057 13.293 1196 HB2 ASP 69 2HB ASP 69 4.265 -2.412 13.352 1197 HB3 ASP 69 3HB ASP 69 5.611 -2.270 12.226 1198 H ALA 70 H ALA 70 5.729 -0.703 10.265 1199 HA ALA 70 HA ALA 70 8.059 0.742 10.794 1200 HB1 ALA 70 3HB ALA 70 6.770 0.252 8.114 1201 HB2 ALA 70 1HB ALA 70 7.846 -0.860 8.958 1202 HB3 ALA 70 2HB ALA 70 8.454 0.697 8.397 1203 H PHE 71 H PHE 71 5.012 1.796 9.319 1204 HA PHE 71 HA PHE 71 6.009 4.417 8.762 1205 HB2 PHE 71 2HB PHE 71 3.210 3.299 8.708 1206 HB3 PHE 71 3HB PHE 71 3.617 4.942 8.232 1207 HD1 PHE 71 HD2 PHE 71 6.340 4.103 7.001 1208 HD2 PHE 71 HD1 PHE 71 2.354 2.698 6.542 1209 HE1 PHE 71 HE2 PHE 71 6.886 3.319 4.737 1210 HE2 PHE 71 HE1 PHE 71 2.892 1.910 4.278 1211 HZ PHE 71 HZ PHE 71 5.160 2.220 3.372 1212 H LYS 72 H LYS 72 4.718 2.936 11.578 1213 HA LYS 72 HA LYS 72 3.905 5.341 12.910 1214 HB2 LYS 72 2HB LYS 72 4.961 2.778 14.133 1215 HB3 LYS 72 3HB LYS 72 4.067 4.041 14.969 1216 HG2 LYS 72 2HG LYS 72 3.007 2.309 12.751 1217 HG3 LYS 72 3HG LYS 72 2.662 2.124 14.473 1218 HD2 LYS 72 2HD LYS 72 1.352 4.020 14.550 1219 HD3 LYS 72 3HD LYS 72 2.133 4.737 13.137 1220 HE2 LYS 72 2HE LYS 72 0.417 2.272 12.992 1221 HE3 LYS 72 3HE LYS 72 -0.222 3.905 12.797 1222 HZ1 LYS 72 3HZ LYS 72 0.264 2.936 10.664 1223 HZ2 LYS 72 1HZ LYS 72 1.870 2.632 11.116 1224 HZ3 LYS 72 2HZ LYS 72 1.318 4.225 10.949 1225 H GLY 73 H GLY 73 6.887 3.631 12.379 1226 HA2 GLY 73 2HA GLY 73 8.389 5.330 14.198 1227 HA3 GLY 73 3HA GLY 73 9.033 4.025 13.214 1228 H ASN 74 H ASN 74 8.086 4.912 10.692 1229 HA ASN 74 HA ASN 74 10.204 6.754 10.133 1230 HB2 ASN 74 2HB ASN 74 9.596 4.897 8.594 1231 HB3 ASN 74 3HB ASN 74 8.083 5.726 8.241 1232 HD21 ASN 74 1HD2 ASN 74 11.549 5.805 7.887 1233 HD22 ASN 74 2HD2 ASN 74 11.583 6.962 6.598 1234 H LEU 75 H LEU 75 6.690 6.963 9.447 1235 HA LEU 75 HA LEU 75 6.983 9.842 9.142 1236 HB2 LEU 75 2HB LEU 75 4.567 8.069 8.808 1237 HB3 LEU 75 3HB LEU 75 4.572 9.800 8.541 1238 HG LEU 75 HG LEU 75 6.502 9.189 6.836 1239 HD11 LEU 75 1HD1 LEU 75 6.579 6.827 7.386 1240 HD12 LEU 75 2HD1 LEU 75 6.053 7.060 5.721 1241 HD13 LEU 75 3HD1 LEU 75 4.874 6.656 6.968 1242 HD21 LEU 75 3HD2 LEU 75 4.819 9.090 5.070 1243 HD22 LEU 75 1HD2 LEU 75 4.408 10.307 6.278 1244 HD23 LEU 75 2HD2 LEU 75 3.570 8.756 6.271 1245 H GLU 76 H GLU 76 5.371 11.270 10.202 1246 HA GLU 76 HA GLU 76 4.463 12.214 12.056 1247 HB2 GLU 76 2HB GLU 76 2.985 10.200 12.115 1248 HB3 GLU 76 3HB GLU 76 4.170 9.396 13.137 1249 HG2 GLU 76 2HG GLU 76 3.878 11.329 14.746 1250 HG3 GLU 76 3HG GLU 76 2.481 11.791 13.778 1251 H HIS 77 H HIS 77 6.179 9.386 13.320 1252 HA HIS 77 HA HIS 77 7.316 10.490 15.577 1253 HB2 HIS 77 2HB HIS 77 7.284 8.107 15.103 1254 HB3 HIS 77 3HB HIS 77 8.361 8.331 13.734 1255 HD1 HIS 77 HD1 HIS 77 8.334 7.613 17.303 1256 HD2 HIS 77 HD2 HIS 77 11.068 9.033 14.522 1257 HE1 HIS 77 HE1 HIS 77 10.590 7.321 18.366 1258 HE2 HIS 77 HE2 HIS 77 12.228 7.950 16.553 1259 H HIS 78 H HIS 78 8.282 10.864 12.267 1260 HA HIS 78 HA HIS 78 10.990 11.603 12.763 1261 HB2 HIS 78 2HB HIS 78 10.269 10.615 10.637 1262 HB3 HIS 78 3HB HIS 78 9.264 12.022 10.314 1263 HD1 HIS 78 HD1 HIS 78 10.300 13.677 8.821 1264 HD2 HIS 78 HD2 HIS 78 13.155 11.465 10.887 1265 HE1 HIS 78 HE1 HIS 78 12.525 14.451 7.941 1266 HE2 HIS 78 HE2 HIS 78 14.240 13.245 9.345 1267 H HIS 79 H HIS 79 7.984 13.434 12.663 1268 HA HIS 79 HA HIS 79 9.574 15.906 12.865 1269 HB2 HIS 79 2HB HIS 79 8.882 15.566 10.504 1270 HB3 HIS 79 3HB HIS 79 7.201 15.569 11.018 1271 HD1 HIS 79 HD1 HIS 79 6.065 17.759 10.866 1272 HD2 HIS 79 HD2 HIS 79 10.199 18.165 11.160 1273 HE1 HIS 79 HE1 HIS 79 6.528 20.222 10.653 1274 HE2 HIS 79 HE2 HIS 79 9.031 20.453 10.813 1275 H HIS 80 H HIS 80 7.241 14.074 14.288 1276 HA HIS 80 HA HIS 80 5.147 15.916 14.732 1277 HB2 HIS 80 2HB HIS 80 5.063 13.398 15.039 1278 HB3 HIS 80 3HB HIS 80 5.875 13.645 16.583 1279 HD1 HIS 80 HD1 HIS 80 2.625 14.250 14.810 1280 HD2 HIS 80 HD2 HIS 80 4.244 14.617 18.629 1281 HE1 HIS 80 HE1 HIS 80 0.678 14.730 16.333 1282 HE2 HIS 80 HE2 HIS 80 1.690 15.076 18.614 1283 H HIS 81 H HIS 81 8.035 15.133 16.611 1284 HA HIS 81 HA HIS 81 9.018 16.077 18.412 1285 HB2 HIS 81 2HB HIS 81 7.609 18.502 17.315 1286 HB3 HIS 81 3HB HIS 81 8.631 18.586 18.743 1287 HD1 HIS 81 HD1 HIS 81 11.197 17.840 18.335 1288 HD2 HIS 81 HD2 HIS 81 8.946 18.730 14.951 1289 HE1 HIS 81 HE1 HIS 81 12.862 18.235 16.494 1290 HE2 HIS 81 HE2 HIS 81 11.488 18.995 14.529 1291 H HIS 82 H HIS 82 6.420 18.335 18.891 1292 HA HIS 82 HA HIS 82 4.888 16.789 20.702 1293 HB2 HIS 82 2HB HIS 82 6.947 17.023 22.076 1294 HB3 HIS 82 3HB HIS 82 6.807 18.772 21.964 1295 HD1 HIS 82 HD1 HIS 82 6.094 19.593 24.174 1296 HD2 HIS 82 HD2 HIS 82 4.097 16.104 23.116 1297 HE1 HIS 82 HE1 HIS 82 4.461 19.158 26.037 1298 HE2 HIS 82 HE2 HIS 82 3.136 17.146 25.281 Start of MODEL 12 1 H1 MET 1 1H MET 1 19.062 19.285 -28.901 2 H2 MET 1 2H MET 1 17.377 19.093 -28.810 3 H3 MET 1 3H MET 1 18.350 17.806 -29.322 4 HA MET 1 HA MET 1 19.335 17.573 -27.192 5 HB2 MET 1 2HB MET 1 18.583 18.970 -25.301 6 HB3 MET 1 3HB MET 1 19.385 19.921 -26.541 7 HG2 MET 1 2HG MET 1 17.174 20.606 -27.393 8 HG3 MET 1 3HG MET 1 16.421 19.720 -26.069 9 HE1 MET 1 3HE MET 1 17.613 21.716 -22.937 10 HE2 MET 1 1HE MET 1 18.361 20.280 -23.636 11 HE3 MET 1 2HE MET 1 16.604 20.397 -23.529 12 H LYS 2 H LYS 2 18.398 16.212 -25.641 13 HA LYS 2 HA LYS 2 15.537 15.872 -25.548 14 HB2 LYS 2 2HB LYS 2 16.104 14.695 -27.651 15 HB3 LYS 2 3HB LYS 2 17.248 13.692 -26.773 16 HG2 LYS 2 2HG LYS 2 15.402 12.784 -25.435 17 HG3 LYS 2 3HG LYS 2 14.266 13.767 -26.362 18 HD2 LYS 2 2HD LYS 2 14.944 12.599 -28.414 19 HD3 LYS 2 3HD LYS 2 16.070 11.614 -27.478 20 HE2 LYS 2 2HE LYS 2 14.189 10.716 -26.185 21 HE3 LYS 2 3HE LYS 2 13.074 11.691 -27.142 22 HZ1 LYS 2 3HZ LYS 2 13.197 9.384 -27.911 23 HZ2 LYS 2 1HZ LYS 2 14.851 9.569 -28.232 24 HZ3 LYS 2 2HZ LYS 2 13.711 10.465 -29.113 25 H LYS 3 H LYS 3 15.156 15.469 -23.484 26 HA LYS 3 HA LYS 3 17.206 14.248 -21.810 27 HB2 LYS 3 2HB LYS 3 14.495 15.399 -21.129 28 HB3 LYS 3 3HB LYS 3 15.671 14.819 -19.956 29 HG2 LYS 3 2HG LYS 3 16.051 17.121 -21.854 30 HG3 LYS 3 3HG LYS 3 15.713 17.242 -20.127 31 HD2 LYS 3 2HD LYS 3 18.172 16.052 -21.409 32 HD3 LYS 3 3HD LYS 3 18.076 17.575 -20.524 33 HE2 LYS 3 2HE LYS 3 17.618 14.816 -19.395 34 HE3 LYS 3 3HE LYS 3 19.034 15.831 -19.127 35 HZ1 LYS 3 3HZ LYS 3 17.577 15.985 -17.254 36 HZ2 LYS 3 1HZ LYS 3 16.255 16.388 -18.236 37 HZ3 LYS 3 2HZ LYS 3 17.549 17.471 -18.074 38 H MET 4 H MET 4 16.054 12.628 -23.783 39 HA MET 4 HA MET 4 15.164 10.589 -24.165 40 HB2 MET 4 2HB MET 4 15.345 10.371 -21.162 41 HB3 MET 4 3HB MET 4 14.963 9.031 -22.233 42 HG2 MET 4 2HG MET 4 17.165 9.353 -23.324 43 HG3 MET 4 3HG MET 4 17.534 10.585 -22.119 44 HE1 MET 4 3HE MET 4 19.714 9.392 -21.318 45 HE2 MET 4 1HE MET 4 19.480 8.166 -22.561 46 HE3 MET 4 2HE MET 4 19.811 7.683 -20.896 47 H ALA 5 H ALA 5 13.281 9.073 -22.883 48 HA ALA 5 HA ALA 5 11.049 10.739 -22.108 49 HB1 ALA 5 3HB ALA 5 10.893 10.802 -24.551 50 HB2 ALA 5 1HB ALA 5 9.557 9.883 -23.858 51 HB3 ALA 5 2HB ALA 5 10.914 9.040 -24.605 52 H GLU 6 H GLU 6 9.049 8.871 -22.323 53 HA GLU 6 HA GLU 6 8.153 6.963 -21.494 54 HB2 GLU 6 2HB GLU 6 10.978 5.901 -21.560 55 HB3 GLU 6 3HB GLU 6 9.510 4.941 -21.431 56 HG2 GLU 6 2HG GLU 6 8.871 5.433 -23.643 57 HG3 GLU 6 3HG GLU 6 10.046 6.740 -23.773 58 H PHE 7 H PHE 7 9.757 9.050 -19.835 59 HA PHE 7 HA PHE 7 9.879 9.612 -17.656 60 HB2 PHE 7 2HB PHE 7 8.417 7.006 -17.271 61 HB3 PHE 7 3HB PHE 7 8.813 8.096 -15.948 62 HD1 PHE 7 HD1 PHE 7 7.805 10.374 -15.901 63 HD2 PHE 7 HD2 PHE 7 6.577 7.402 -18.689 64 HE1 PHE 7 HE1 PHE 7 5.735 11.632 -16.329 65 HE2 PHE 7 HE2 PHE 7 4.504 8.655 -19.116 66 HZ PHE 7 HZ PHE 7 4.083 10.775 -17.935 67 H THR 8 H THR 8 11.595 9.638 -16.384 68 HA THR 8 HA THR 8 13.291 7.253 -16.241 69 HB THR 8 HB THR 8 14.957 8.880 -15.204 70 HG1 THR 8 HG1 THR 8 14.372 10.890 -14.943 71 HG21 THR 8 3HG2 THR 8 15.630 9.817 -17.363 72 HG22 THR 8 1HG2 THR 8 14.042 9.430 -18.029 73 HG23 THR 8 2HG2 THR 8 15.128 8.133 -17.528 74 H PHE 9 H PHE 9 13.287 6.062 -14.431 75 HA PHE 9 HA PHE 9 11.992 7.234 -12.076 76 HB2 PHE 9 2HB PHE 9 11.527 4.849 -11.405 77 HB3 PHE 9 3HB PHE 9 10.676 5.404 -12.839 78 HD1 PHE 9 HD2 PHE 9 11.343 4.592 -15.064 79 HD2 PHE 9 HD1 PHE 9 13.104 3.063 -11.505 80 HE1 PHE 9 HE2 PHE 9 12.181 2.651 -16.320 81 HE2 PHE 9 HE1 PHE 9 13.942 1.114 -12.755 82 HZ PHE 9 HZ PHE 9 13.480 0.908 -15.166 83 H GLU 10 H GLU 10 13.226 7.692 -10.440 84 HA GLU 10 HA GLU 10 15.802 6.304 -10.152 85 HB2 GLU 10 2HB GLU 10 14.821 8.968 -9.127 86 HB3 GLU 10 3HB GLU 10 16.301 8.221 -8.550 87 HG2 GLU 10 2HG GLU 10 17.030 9.716 -10.156 88 HG3 GLU 10 3HG GLU 10 17.014 8.174 -11.004 89 H ILE 11 H ILE 11 15.664 4.624 -8.795 90 HA ILE 11 HA ILE 11 13.837 4.707 -6.528 91 HB ILE 11 HB ILE 11 15.778 2.510 -7.286 92 HG12 ILE 11 2HG1 ILE 11 12.824 2.735 -7.921 93 HG13 ILE 11 3HG1 ILE 11 14.120 2.998 -9.084 94 HG21 ILE 11 1HG2 ILE 11 14.323 1.100 -5.890 95 HG22 ILE 11 2HG2 ILE 11 13.363 2.519 -5.472 96 HG23 ILE 11 3HG2 ILE 11 15.049 2.416 -4.968 97 HD11 ILE 11 3HD1 ILE 11 13.137 0.792 -9.323 98 HD12 ILE 11 1HD1 ILE 11 13.539 0.419 -7.647 99 HD13 ILE 11 2HD1 ILE 11 14.824 0.681 -8.826 100 H GLU 12 H GLU 12 14.538 5.881 -4.860 101 HA GLU 12 HA GLU 12 17.431 6.184 -4.504 102 HB2 GLU 12 2HB GLU 12 15.200 7.851 -3.335 103 HB3 GLU 12 3HB GLU 12 16.914 8.237 -3.337 104 HG2 GLU 12 2HG GLU 12 15.189 8.002 -5.794 105 HG3 GLU 12 3HG GLU 12 15.650 9.511 -5.010 106 H GLU 13 H GLU 13 14.580 5.066 -2.808 107 HA GLU 13 HA GLU 13 16.240 4.317 -0.519 108 HB2 GLU 13 2HB GLU 13 15.312 6.584 -0.068 109 HB3 GLU 13 3HB GLU 13 13.695 5.927 -0.243 110 HG2 GLU 13 2HG GLU 13 14.184 6.133 2.075 111 HG3 GLU 13 3HG GLU 13 14.150 4.418 1.666 112 H HIS 14 H HIS 14 15.584 2.463 0.469 113 HA HIS 14 HA HIS 14 13.048 1.265 -0.434 114 HB2 HIS 14 2HB HIS 14 15.423 -0.093 0.868 115 HB3 HIS 14 3HB HIS 14 13.960 -0.894 0.317 116 HD1 HIS 14 HD1 HIS 14 17.300 -0.223 -0.681 117 HD2 HIS 14 HD2 HIS 14 13.648 -0.497 -2.658 118 HE1 HIS 14 HE1 HIS 14 17.869 -0.636 -3.100 119 HE2 HIS 14 HE2 HIS 14 15.647 -1.000 -4.235 120 H LEU 15 H LEU 15 11.531 1.973 0.981 121 HA LEU 15 HA LEU 15 12.162 2.727 3.649 122 HB2 LEU 15 2HB LEU 15 9.514 2.352 2.255 123 HB3 LEU 15 3HB LEU 15 9.685 3.002 3.873 124 HG LEU 15 HG LEU 15 10.897 4.267 1.418 125 HD11 LEU 15 1HD1 LEU 15 8.475 4.316 1.272 126 HD12 LEU 15 2HD1 LEU 15 9.102 5.923 1.646 127 HD13 LEU 15 3HD1 LEU 15 8.372 4.939 2.917 128 HD21 LEU 15 3HD2 LEU 15 11.214 6.183 2.880 129 HD22 LEU 15 1HD2 LEU 15 12.037 4.767 3.537 130 HD23 LEU 15 2HD2 LEU 15 10.500 5.294 4.225 131 H LEU 16 H LEU 16 9.875 0.243 2.486 132 HA LEU 16 HA LEU 16 10.441 -1.270 4.945 133 HB2 LEU 16 2HB LEU 16 8.287 0.305 4.799 134 HB3 LEU 16 3HB LEU 16 7.635 -1.102 3.989 135 HG LEU 16 HG LEU 16 8.692 -0.976 6.812 136 HD11 LEU 16 1HD1 LEU 16 5.953 -1.307 5.631 137 HD12 LEU 16 2HD1 LEU 16 6.541 0.015 6.637 138 HD13 LEU 16 3HD1 LEU 16 6.338 -1.594 7.327 139 HD21 LEU 16 3HD2 LEU 16 7.600 -3.333 5.284 140 HD22 LEU 16 1HD2 LEU 16 7.924 -3.296 7.018 141 HD23 LEU 16 2HD2 LEU 16 9.254 -3.135 5.867 142 H THR 17 H THR 17 11.145 -3.179 4.268 143 HA THR 17 HA THR 17 10.088 -4.411 1.857 144 HB THR 17 HB THR 17 12.048 -5.562 3.858 145 HG1 THR 17 HG1 THR 17 12.785 -3.592 2.854 146 HG21 THR 17 3HG2 THR 17 11.441 -6.293 0.989 147 HG22 THR 17 1HG2 THR 17 10.998 -7.232 2.415 148 HG23 THR 17 2HG2 THR 17 12.696 -7.022 1.992 149 H LEU 18 H LEU 18 8.114 -5.273 2.058 150 HA LEU 18 HA LEU 18 7.050 -6.099 4.571 151 HB2 LEU 18 2HB LEU 18 6.001 -6.578 1.782 152 HB3 LEU 18 3HB LEU 18 5.102 -6.838 3.263 153 HG LEU 18 HG LEU 18 6.113 -4.171 2.277 154 HD11 LEU 18 1HD1 LEU 18 3.336 -5.334 2.348 155 HD12 LEU 18 2HD1 LEU 18 4.302 -5.008 0.906 156 HD13 LEU 18 3HD1 LEU 18 3.742 -3.672 1.918 157 HD21 LEU 18 3HD2 LEU 18 6.048 -4.272 4.710 158 HD22 LEU 18 1HD2 LEU 18 4.387 -4.858 4.654 159 HD23 LEU 18 2HD2 LEU 18 4.768 -3.230 4.090 160 H SER 19 H SER 19 7.249 -8.034 1.594 161 HA SER 19 HA SER 19 8.659 -10.190 2.822 162 HB2 SER 19 2HB SER 19 5.675 -10.529 2.379 163 HB3 SER 19 3HB SER 19 6.792 -11.858 2.679 164 HG SER 19 HG SER 19 7.008 -9.857 4.529 165 H GLU 20 H GLU 20 8.917 -12.019 1.305 166 HA GLU 20 HA GLU 20 8.373 -11.175 -1.458 167 HB2 GLU 20 2HB GLU 20 10.132 -12.682 -2.176 168 HB3 GLU 20 3HB GLU 20 10.748 -11.570 -0.966 169 HG2 GLU 20 2HG GLU 20 10.651 -13.297 0.719 170 HG3 GLU 20 3HG GLU 20 9.919 -14.414 -0.436 171 H ASN 21 H ASN 21 7.390 -12.522 -2.876 172 HA ASN 21 HA ASN 21 5.697 -14.551 -1.596 173 HB2 ASN 21 2HB ASN 21 4.384 -12.743 -2.423 174 HB3 ASN 21 3HB ASN 21 5.267 -12.706 -3.943 175 HD21 ASN 21 1HD2 ASN 21 4.729 -14.101 -5.553 176 HD22 ASN 21 2HD2 ASN 21 3.327 -15.117 -5.514 177 H GLU 22 H GLU 22 5.800 -16.583 -2.207 178 HA GLU 22 HA GLU 22 6.220 -18.494 -3.347 179 HB2 GLU 22 2HB GLU 22 6.069 -16.632 -5.717 180 HB3 GLU 22 3HB GLU 22 6.172 -18.382 -5.852 181 HG2 GLU 22 2HG GLU 22 4.080 -18.620 -4.651 182 HG3 GLU 22 3HG GLU 22 3.981 -16.871 -4.449 183 H LYS 23 H LYS 23 8.464 -16.676 -2.508 184 HA LYS 23 HA LYS 23 10.726 -16.602 -2.546 185 HB2 LYS 23 2HB LYS 23 10.498 -19.183 -4.101 186 HB3 LYS 23 3HB LYS 23 11.952 -18.576 -3.324 187 HG2 LYS 23 2HG LYS 23 10.973 -18.842 -1.152 188 HG3 LYS 23 3HG LYS 23 9.416 -19.273 -1.861 189 HD2 LYS 23 2HD LYS 23 10.464 -21.254 -2.888 190 HD3 LYS 23 3HD LYS 23 11.985 -20.838 -2.095 191 HE2 LYS 23 2HE LYS 23 10.967 -21.115 0.079 192 HE3 LYS 23 3HE LYS 23 9.393 -21.407 -0.663 193 HZ1 LYS 23 3HZ LYS 23 11.799 -23.123 -0.987 194 HZ2 LYS 23 1HZ LYS 23 10.280 -23.404 -1.687 195 HZ3 LYS 23 2HZ LYS 23 10.465 -23.472 -0.001 196 H GLY 24 H GLY 24 11.090 -14.789 -3.757 197 HA2 GLY 24 2HA GLY 24 12.655 -14.347 -5.672 198 HA3 GLY 24 3HA GLY 24 11.501 -15.239 -6.649 199 H TRP 25 H TRP 25 9.094 -14.163 -5.664 200 HA TRP 25 HA TRP 25 9.193 -11.580 -6.988 201 HB2 TRP 25 2HB TRP 25 6.935 -13.287 -5.946 202 HB3 TRP 25 3HB TRP 25 6.672 -11.650 -6.536 203 HD1 TRP 25 HD1 TRP 25 7.880 -15.094 -7.821 204 HE1 TRP 25 HE1 TRP 25 7.442 -15.198 -10.364 205 HE3 TRP 25 HE3 TRP 25 6.241 -10.303 -8.549 206 HZ2 TRP 25 HZ2 TRP 25 6.516 -13.469 -12.389 207 HZ3 TRP 25 HZ3 TRP 25 5.594 -9.610 -10.822 208 HH2 TRP 25 HH2 TRP 25 5.730 -11.160 -12.700 209 H THR 26 H THR 26 10.187 -10.137 -5.605 210 HA THR 26 HA THR 26 9.486 -10.213 -2.778 211 HB THR 26 HB THR 26 11.370 -8.294 -4.163 212 HG1 THR 26 HG1 THR 26 12.475 -10.421 -2.794 213 HG21 THR 26 3HG2 THR 26 10.704 -7.662 -1.889 214 HG22 THR 26 1HG2 THR 26 12.404 -8.124 -1.952 215 HG23 THR 26 2HG2 THR 26 11.209 -9.246 -1.299 216 H LYS 27 H LYS 27 8.284 -8.702 -1.702 217 HA LYS 27 HA LYS 27 7.158 -6.520 -3.331 218 HB2 LYS 27 2HB LYS 27 5.524 -8.335 -2.882 219 HB3 LYS 27 3HB LYS 27 5.759 -8.094 -1.159 220 HG2 LYS 27 2HG LYS 27 4.812 -5.887 -1.287 221 HG3 LYS 27 3HG LYS 27 4.710 -5.995 -3.047 222 HD2 LYS 27 2HD LYS 27 2.532 -6.426 -2.110 223 HD3 LYS 27 3HD LYS 27 3.169 -7.922 -2.795 224 HE2 LYS 27 2HE LYS 27 3.947 -8.526 -0.488 225 HE3 LYS 27 3HE LYS 27 3.049 -7.132 0.106 226 HZ1 LYS 27 3HZ LYS 27 1.020 -8.109 -0.808 227 HZ2 LYS 27 1HZ LYS 27 1.752 -9.156 0.313 228 HZ3 LYS 27 2HZ LYS 27 1.895 -9.452 -1.353 229 H GLU 28 H GLU 28 7.783 -4.607 -2.612 230 HA GLU 28 HA GLU 28 7.955 -4.150 0.261 231 HB2 GLU 28 2HB GLU 28 10.158 -3.169 0.154 232 HB3 GLU 28 3HB GLU 28 10.227 -4.816 -0.455 233 HG2 GLU 28 2HG GLU 28 10.265 -4.000 -2.735 234 HG3 GLU 28 3HG GLU 28 10.124 -2.339 -2.162 235 H ILE 29 H ILE 29 8.226 -1.888 0.803 236 HA ILE 29 HA ILE 29 6.927 -0.111 -1.151 237 HB ILE 29 HB ILE 29 7.148 0.202 1.855 238 HG12 ILE 29 2HG1 ILE 29 4.774 -0.662 0.181 239 HG13 ILE 29 3HG1 ILE 29 5.748 -1.735 1.181 240 HG21 ILE 29 1HG2 ILE 29 5.441 1.956 1.543 241 HG22 ILE 29 2HG2 ILE 29 5.556 1.733 -0.203 242 HG23 ILE 29 3HG2 ILE 29 6.948 2.329 0.704 243 HD11 ILE 29 3HD1 ILE 29 5.054 -0.467 3.167 244 HD12 ILE 29 1HD1 ILE 29 3.691 -1.173 2.297 245 HD13 ILE 29 2HD1 ILE 29 4.042 0.547 2.138 246 H ASN 30 H ASN 30 8.240 1.333 -2.093 247 HA ASN 30 HA ASN 30 10.635 2.205 -0.634 248 HB2 ASN 30 2HB ASN 30 12.000 1.919 -2.672 249 HB3 ASN 30 3HB ASN 30 11.362 0.391 -2.079 250 HD21 ASN 30 1HD2 ASN 30 9.749 -0.661 -3.245 251 HD22 ASN 30 2HD2 ASN 30 9.411 -0.267 -4.891 252 H ARG 31 H ARG 31 11.799 3.912 -2.212 253 HA ARG 31 HA ARG 31 9.691 5.870 -2.854 254 HB2 ARG 31 2HB ARG 31 12.366 6.174 -1.526 255 HB3 ARG 31 3HB ARG 31 11.643 7.536 -2.377 256 HG2 ARG 31 2HG ARG 31 9.819 7.628 -0.908 257 HG3 ARG 31 3HG ARG 31 10.145 6.015 -0.270 258 HD2 ARG 31 2HD ARG 31 10.765 7.841 1.285 259 HD3 ARG 31 3HD ARG 31 12.115 6.795 0.854 260 HE ARG 31 HE ARG 31 12.892 8.569 -0.629 261 HH11 ARG 31 1HH1 ARG 31 10.466 9.437 1.746 262 HH12 ARG 31 2HH1 ARG 31 10.932 11.106 1.811 263 HH21 ARG 31 1HH2 ARG 31 13.547 10.740 -0.523 264 HH22 ARG 31 2HH2 ARG 31 12.711 11.851 0.527 265 H VAL 32 H VAL 32 9.529 6.390 -4.900 266 HA VAL 32 HA VAL 32 11.903 6.134 -6.631 267 HB VAL 32 HB VAL 32 9.022 5.697 -7.455 268 HG11 VAL 32 1HG1 VAL 32 10.000 4.878 -9.558 269 HG12 VAL 32 2HG1 VAL 32 11.603 5.334 -8.979 270 HG13 VAL 32 3HG1 VAL 32 10.383 6.575 -9.264 271 HG21 VAL 32 3HG2 VAL 32 9.621 3.342 -7.692 272 HG22 VAL 32 1HG2 VAL 32 9.812 3.886 -6.025 273 HG23 VAL 32 2HG2 VAL 32 11.229 3.680 -7.054 274 H SER 33 H SER 33 12.496 7.884 -7.699 275 HA SER 33 HA SER 33 10.749 10.229 -7.746 276 HB2 SER 33 2HB SER 33 13.141 10.446 -7.005 277 HB3 SER 33 3HB SER 33 13.639 9.977 -8.630 278 HG SER 33 HG SER 33 12.583 12.362 -7.696 279 H PHE 34 H PHE 34 10.160 11.228 -9.716 280 HA PHE 34 HA PHE 34 10.606 9.575 -12.108 281 HB2 PHE 34 2HB PHE 34 8.075 10.988 -11.257 282 HB3 PHE 34 3HB PHE 34 8.325 10.312 -12.864 283 HD1 PHE 34 HD1 PHE 34 8.731 7.840 -13.084 284 HD2 PHE 34 HD2 PHE 34 7.379 9.634 -9.469 285 HE1 PHE 34 HE1 PHE 34 7.939 5.649 -12.298 286 HE2 PHE 34 HE2 PHE 34 6.583 7.444 -8.676 287 HZ PHE 34 HZ PHE 34 6.863 5.447 -10.092 288 H ASN 35 H ASN 35 11.886 10.618 -13.418 289 HA ASN 35 HA ASN 35 12.760 12.205 -14.782 290 HB2 ASN 35 2HB ASN 35 10.057 13.438 -14.297 291 HB3 ASN 35 3HB ASN 35 11.273 14.250 -15.275 292 HD21 ASN 35 1HD2 ASN 35 12.327 11.719 -16.339 293 HD22 ASN 35 2HD2 ASN 35 11.163 11.216 -17.523 294 H GLY 36 H GLY 36 13.063 12.323 -11.798 295 HA2 GLY 36 2HA GLY 36 14.417 13.633 -10.448 296 HA3 GLY 36 3HA GLY 36 14.476 14.834 -11.730 297 H ALA 37 H ALA 37 12.546 13.568 -9.099 298 HA ALA 37 HA ALA 37 11.508 16.217 -8.505 299 HB1 ALA 37 3HB ALA 37 9.163 15.478 -8.528 300 HB2 ALA 37 1HB ALA 37 9.663 13.906 -9.150 301 HB3 ALA 37 2HB ALA 37 9.885 15.354 -10.132 302 HA PRO 38 HA PRO 38 11.329 14.689 -4.223 303 HB2 PRO 38 2HB PRO 38 8.346 14.858 -4.373 304 HB3 PRO 38 3HB PRO 38 9.442 15.448 -3.119 305 HG2 PRO 38 2HG PRO 38 8.355 17.135 -4.865 306 HG3 PRO 38 3HG PRO 38 10.036 17.330 -4.334 307 HD2 PRO 38 2HD PRO 38 8.970 16.313 -6.920 308 HD3 PRO 38 3HD PRO 38 10.454 17.227 -6.592 309 H ALA 39 H ALA 39 11.573 12.617 -3.671 310 HA ALA 39 HA ALA 39 10.686 10.532 -5.364 311 HB1 ALA 39 3HB ALA 39 12.783 10.385 -4.136 312 HB2 ALA 39 1HB ALA 39 11.727 9.029 -3.741 313 HB3 ALA 39 2HB ALA 39 11.900 10.371 -2.608 314 H LYS 40 H LYS 40 8.669 9.835 -5.469 315 HA LYS 40 HA LYS 40 6.883 10.081 -3.211 316 HB2 LYS 40 2HB LYS 40 6.510 9.123 -6.043 317 HB3 LYS 40 3HB LYS 40 5.243 8.968 -4.833 318 HG2 LYS 40 2HG LYS 40 5.283 11.399 -4.498 319 HG3 LYS 40 3HG LYS 40 6.520 11.537 -5.749 320 HD2 LYS 40 2HD LYS 40 5.010 10.766 -7.431 321 HD3 LYS 40 3HD LYS 40 3.802 10.322 -6.222 322 HE2 LYS 40 2HE LYS 40 3.492 12.645 -5.629 323 HE3 LYS 40 3HE LYS 40 4.778 13.128 -6.732 324 HZ1 LYS 40 3HZ LYS 40 3.478 12.516 -8.590 325 HZ2 LYS 40 1HZ LYS 40 2.467 13.431 -7.581 326 HZ3 LYS 40 2HZ LYS 40 2.311 11.743 -7.630 327 H PHE 41 H PHE 41 5.369 8.076 -2.907 328 HA PHE 41 HA PHE 41 7.225 5.967 -2.063 329 HB2 PHE 41 2HB PHE 41 4.431 6.509 -1.049 330 HB3 PHE 41 3HB PHE 41 5.668 5.505 -0.297 331 HD1 PHE 41 HD2 PHE 41 7.627 6.548 0.764 332 HD2 PHE 41 HD1 PHE 41 4.408 8.872 -0.756 333 HE1 PHE 41 HE2 PHE 41 8.410 8.481 2.072 334 HE2 PHE 41 HE1 PHE 41 5.181 10.807 0.548 335 HZ PHE 41 HZ PHE 41 7.187 10.612 1.966 336 H ASP 42 H ASP 42 7.198 4.166 -3.237 337 HA ASP 42 HA ASP 42 4.715 3.487 -4.676 338 HB2 ASP 42 2HB ASP 42 6.639 4.253 -6.106 339 HB3 ASP 42 3HB ASP 42 7.535 2.846 -5.548 340 H ILE 43 H ILE 43 3.910 1.508 -4.422 341 HA ILE 43 HA ILE 43 5.469 -0.436 -2.839 342 HB ILE 43 HB ILE 43 2.459 -0.313 -3.088 343 HG12 ILE 43 2HG1 ILE 43 4.186 0.658 -0.798 344 HG13 ILE 43 3HG1 ILE 43 3.368 1.706 -1.952 345 HG21 ILE 43 1HG2 ILE 43 3.378 -2.512 -2.543 346 HG22 ILE 43 2HG2 ILE 43 2.499 -1.837 -1.172 347 HG23 ILE 43 3HG2 ILE 43 4.262 -1.811 -1.187 348 HD11 ILE 43 3HD1 ILE 43 2.022 -0.199 -0.050 349 HD12 ILE 43 1HD1 ILE 43 1.212 0.891 -1.174 350 HD13 ILE 43 2HD1 ILE 43 2.161 1.546 0.161 351 H ARG 44 H ARG 44 6.320 -1.882 -4.261 352 HA ARG 44 HA ARG 44 4.498 -3.078 -6.210 353 HB2 ARG 44 2HB ARG 44 6.041 -2.810 -8.068 354 HB3 ARG 44 3HB ARG 44 5.568 -1.247 -7.421 355 HG2 ARG 44 2HG ARG 44 7.702 -1.090 -6.240 356 HG3 ARG 44 3HG ARG 44 8.177 -2.660 -6.894 357 HD2 ARG 44 2HD ARG 44 9.155 -0.832 -8.189 358 HD3 ARG 44 3HD ARG 44 8.021 -1.765 -9.167 359 HE ARG 44 HE ARG 44 6.806 0.512 -7.892 360 HH11 ARG 44 1HH1 ARG 44 8.639 -0.532 -10.698 361 HH12 ARG 44 2HH1 ARG 44 8.113 0.790 -11.695 362 HH21 ARG 44 1HH2 ARG 44 6.117 2.251 -9.180 363 HH22 ARG 44 2HH2 ARG 44 6.680 2.378 -10.825 364 H ALA 45 H ALA 45 5.777 -4.807 -7.514 365 HA ALA 45 HA ALA 45 7.330 -6.375 -5.568 366 HB1 ALA 45 3HB ALA 45 5.128 -7.335 -5.997 367 HB2 ALA 45 1HB ALA 45 6.406 -8.384 -6.612 368 HB3 ALA 45 2HB ALA 45 5.478 -7.379 -7.725 369 H TRP 46 H TRP 46 9.007 -7.694 -6.367 370 HA TRP 46 HA TRP 46 10.130 -6.768 -8.929 371 HB2 TRP 46 2HB TRP 46 11.579 -8.130 -6.647 372 HB3 TRP 46 3HB TRP 46 12.305 -7.390 -8.069 373 HD1 TRP 46 HD1 TRP 46 11.489 -6.676 -4.557 374 HE1 TRP 46 HE1 TRP 46 11.783 -4.175 -4.040 375 HE3 TRP 46 HE3 TRP 46 11.807 -4.901 -9.343 376 HZ2 TRP 46 HZ2 TRP 46 12.085 -1.762 -5.477 377 HZ3 TRP 46 HZ3 TRP 46 12.092 -2.480 -9.685 378 HH2 TRP 46 HH2 TRP 46 12.228 -0.945 -7.790 379 H SER 47 H SER 47 10.407 -8.190 -10.533 380 HA SER 47 HA SER 47 9.493 -10.918 -10.158 381 HB2 SER 47 2HB SER 47 10.437 -9.575 -12.701 382 HB3 SER 47 3HB SER 47 9.489 -11.056 -12.571 383 HG SER 47 HG SER 47 8.238 -9.090 -11.252 384 HA PRO 48 HA PRO 48 13.710 -12.351 -9.861 385 HB2 PRO 48 2HB PRO 48 13.176 -14.988 -9.633 386 HB3 PRO 48 3HB PRO 48 12.888 -13.848 -8.312 387 HG2 PRO 48 2HG PRO 48 10.948 -15.064 -10.226 388 HG3 PRO 48 3HG PRO 48 10.756 -14.713 -8.501 389 HD2 PRO 48 2HD PRO 48 9.766 -13.140 -10.540 390 HD3 PRO 48 3HD PRO 48 10.100 -12.566 -8.895 391 H ASP 49 H ASP 49 11.682 -14.614 -11.740 392 HA ASP 49 HA ASP 49 13.805 -14.681 -13.755 393 HB2 ASP 49 2HB ASP 49 12.826 -16.855 -14.445 394 HB3 ASP 49 3HB ASP 49 13.374 -16.848 -12.775 395 H HIS 50 H HIS 50 13.388 -13.158 -15.175 396 HA HIS 50 HA HIS 50 12.496 -12.119 -16.966 397 HB2 HIS 50 2HB HIS 50 12.004 -14.381 -17.806 398 HB3 HIS 50 3HB HIS 50 10.458 -14.356 -16.963 399 HD1 HIS 50 HD1 HIS 50 8.534 -13.615 -18.331 400 HD2 HIS 50 HD2 HIS 50 12.144 -12.203 -19.831 401 HE1 HIS 50 HE1 HIS 50 7.956 -12.399 -20.452 402 HE2 HIS 50 HE2 HIS 50 10.182 -11.824 -21.477 403 H THR 51 H THR 51 11.626 -10.215 -16.657 404 HA THR 51 HA THR 51 9.654 -9.578 -14.776 405 HB THR 51 HB THR 51 10.162 -7.998 -17.297 406 HG1 THR 51 HG1 THR 51 11.964 -7.131 -16.305 407 HG21 THR 51 3HG2 THR 51 8.365 -7.171 -15.906 408 HG22 THR 51 1HG2 THR 51 9.749 -6.085 -15.782 409 HG23 THR 51 2HG2 THR 51 9.400 -7.223 -14.480 410 H LYS 52 H LYS 52 7.745 -10.643 -14.870 411 HA LYS 52 HA LYS 52 6.363 -11.044 -17.378 412 HB2 LYS 52 2HB LYS 52 5.436 -11.594 -14.549 413 HB3 LYS 52 3HB LYS 52 4.668 -12.177 -16.021 414 HG2 LYS 52 2HG LYS 52 6.684 -13.468 -16.551 415 HG3 LYS 52 3HG LYS 52 7.431 -12.900 -15.059 416 HD2 LYS 52 2HD LYS 52 5.554 -13.954 -13.800 417 HD3 LYS 52 3HD LYS 52 4.976 -14.632 -15.322 418 HE2 LYS 52 2HE LYS 52 7.077 -15.826 -15.610 419 HE3 LYS 52 3HE LYS 52 7.700 -15.118 -14.120 420 HZ1 LYS 52 3HZ LYS 52 5.387 -16.971 -14.345 421 HZ2 LYS 52 1HZ LYS 52 5.926 -16.257 -12.903 422 HZ3 LYS 52 2HZ LYS 52 6.922 -17.348 -13.733 423 H MET 53 H MET 53 5.785 -9.244 -14.375 424 HA MET 53 HA MET 53 4.693 -7.032 -15.807 425 HB2 MET 53 2HB MET 53 2.714 -8.508 -15.759 426 HB3 MET 53 3HB MET 53 2.832 -8.598 -14.005 427 HG2 MET 53 2HG MET 53 2.479 -6.181 -13.871 428 HG3 MET 53 3HG MET 53 2.318 -6.117 -15.624 429 HE1 MET 53 3HE MET 53 -1.354 -5.489 -14.483 430 HE2 MET 53 1HE MET 53 -0.018 -4.923 -15.485 431 HE3 MET 53 2HE MET 53 0.123 -4.891 -13.727 432 H GLY 54 H GLY 54 5.627 -5.404 -14.783 433 HA2 GLY 54 2HA GLY 54 6.350 -5.642 -11.979 434 HA3 GLY 54 3HA GLY 54 6.731 -4.296 -13.049 435 H LYS 55 H LYS 55 4.068 -5.827 -11.292 436 HA LYS 55 HA LYS 55 2.462 -3.440 -11.508 437 HB2 LYS 55 2HB LYS 55 0.832 -4.736 -10.089 438 HB3 LYS 55 3HB LYS 55 1.216 -5.435 -11.654 439 HG2 LYS 55 2HG LYS 55 2.664 -7.057 -10.636 440 HG3 LYS 55 3HG LYS 55 2.469 -6.295 -9.055 441 HD2 LYS 55 2HD LYS 55 1.076 -8.305 -9.289 442 HD3 LYS 55 3HD LYS 55 0.105 -6.852 -9.054 443 HE2 LYS 55 2HE LYS 55 -0.273 -6.746 -11.489 444 HE3 LYS 55 3HE LYS 55 0.642 -8.240 -11.675 445 HZ1 LYS 55 3HZ LYS 55 -1.814 -8.002 -10.023 446 HZ2 LYS 55 1HZ LYS 55 -0.994 -9.427 -10.443 447 HZ3 LYS 55 2HZ LYS 55 -1.810 -8.533 -11.636 448 H GLY 56 H GLY 56 2.114 -1.950 -10.052 449 HA2 GLY 56 2HA GLY 56 2.480 -2.143 -7.281 450 HA3 GLY 56 3HA GLY 56 3.931 -1.445 -7.996 451 H ILE 57 H ILE 57 2.128 -0.106 -6.208 452 HA ILE 57 HA ILE 57 0.931 1.878 -8.027 453 HB ILE 57 HB ILE 57 -0.830 0.606 -6.948 454 HG12 ILE 57 2HG1 ILE 57 -0.612 3.362 -5.710 455 HG13 ILE 57 3HG1 ILE 57 -1.191 3.027 -7.337 456 HG21 ILE 57 1HG2 ILE 57 0.404 1.460 -4.334 457 HG22 ILE 57 2HG2 ILE 57 0.373 -0.177 -4.992 458 HG23 ILE 57 3HG2 ILE 57 -1.132 0.612 -4.516 459 HD11 ILE 57 3HD1 ILE 57 -3.047 1.730 -6.385 460 HD12 ILE 57 1HD1 ILE 57 -3.048 3.412 -5.850 461 HD13 ILE 57 2HD1 ILE 57 -2.480 2.141 -4.767 462 H THR 58 H THR 58 1.456 3.937 -7.746 463 HA THR 58 HA THR 58 3.382 4.579 -5.647 464 HB THR 58 HB THR 58 2.591 6.480 -7.832 465 HG1 THR 58 HG1 THR 58 4.355 4.230 -8.096 466 HG21 THR 58 3HG2 THR 58 4.135 7.220 -6.068 467 HG22 THR 58 1HG2 THR 58 4.934 7.162 -7.640 468 HG23 THR 58 2HG2 THR 58 5.216 5.883 -6.459 469 H LEU 59 H LEU 59 2.892 5.847 -3.973 470 HA LEU 59 HA LEU 59 0.314 7.283 -4.007 471 HB2 LEU 59 2HB LEU 59 1.802 6.146 -1.632 472 HB3 LEU 59 3HB LEU 59 0.281 7.013 -1.563 473 HG LEU 59 HG LEU 59 0.693 4.356 -2.935 474 HD11 LEU 59 1HD1 LEU 59 0.903 4.166 -0.515 475 HD12 LEU 59 2HD1 LEU 59 -0.599 3.432 -1.081 476 HD13 LEU 59 3HD1 LEU 59 -0.629 5.017 -0.310 477 HD21 LEU 59 3HD2 LEU 59 -1.811 5.937 -2.371 478 HD22 LEU 59 1HD2 LEU 59 -1.751 4.312 -3.051 479 HD23 LEU 59 2HD2 LEU 59 -1.082 5.671 -3.955 480 H SER 60 H SER 60 0.252 9.373 -3.161 481 HA SER 60 HA SER 60 2.781 10.777 -3.169 482 HB2 SER 60 2HB SER 60 1.341 12.800 -2.847 483 HB3 SER 60 3HB SER 60 0.896 11.843 -4.257 484 HG SER 60 HG SER 60 -0.842 11.008 -3.132 485 H ASN 61 H ASN 61 2.961 12.564 -1.353 486 HA ASN 61 HA ASN 61 3.584 11.201 1.023 487 HB2 ASN 61 2HB ASN 61 4.658 13.321 0.266 488 HB3 ASN 61 3HB ASN 61 3.180 14.183 0.680 489 HD21 ASN 61 1HD2 ASN 61 2.676 14.540 2.851 490 HD22 ASN 61 2HD2 ASN 61 3.826 14.279 4.117 491 H GLU 62 H GLU 62 0.872 13.296 0.180 492 HA GLU 62 HA GLU 62 -0.433 13.397 2.638 493 HB2 GLU 62 2HB GLU 62 -1.041 14.746 0.655 494 HB3 GLU 62 3HB GLU 62 -1.669 13.302 -0.125 495 HG2 GLU 62 2HG GLU 62 -3.485 14.585 0.761 496 HG3 GLU 62 3HG GLU 62 -3.331 13.087 1.678 497 H GLU 63 H GLU 63 -0.952 11.128 -0.048 498 HA GLU 63 HA GLU 63 -2.903 9.545 1.195 499 HB2 GLU 63 2HB GLU 63 -0.885 8.713 -0.901 500 HB3 GLU 63 3HB GLU 63 -2.400 7.894 -0.538 501 HG2 GLU 63 2HG GLU 63 -3.662 9.784 -1.320 502 HG3 GLU 63 3HG GLU 63 -2.184 10.713 -1.560 503 H PHE 64 H PHE 64 0.608 9.233 1.032 504 HA PHE 64 HA PHE 64 0.797 6.709 2.257 505 HB2 PHE 64 2HB PHE 64 2.541 8.017 0.884 506 HB3 PHE 64 3HB PHE 64 2.941 8.815 2.400 507 HD1 PHE 64 HD1 PHE 64 2.582 5.433 0.907 508 HD2 PHE 64 HD2 PHE 64 4.519 7.875 3.799 509 HE1 PHE 64 HE1 PHE 64 4.090 3.571 1.465 510 HE2 PHE 64 HE2 PHE 64 6.023 6.019 4.366 511 HZ PHE 64 HZ PHE 64 5.811 3.864 3.197 512 H GLN 65 H GLN 65 1.157 9.992 3.607 513 HA GLN 65 HA GLN 65 1.752 9.130 6.236 514 HB2 GLN 65 2HB GLN 65 2.062 11.459 5.116 515 HB3 GLN 65 3HB GLN 65 0.406 11.750 5.628 516 HG2 GLN 65 2HG GLN 65 2.572 10.900 7.526 517 HG3 GLN 65 3HG GLN 65 2.237 12.587 7.155 518 HE21 GLN 65 1HE2 GLN 65 2.035 11.039 9.665 519 HE22 GLN 65 2HE2 GLN 65 0.416 11.261 10.219 520 H THR 66 H THR 66 -1.242 9.881 4.559 521 HA THR 66 HA THR 66 -3.016 9.931 6.685 522 HB THR 66 HB THR 66 -3.460 8.903 3.879 523 HG1 THR 66 HG1 THR 66 -2.995 11.063 3.819 524 HG21 THR 66 3HG2 THR 66 -5.178 8.011 5.385 525 HG22 THR 66 1HG2 THR 66 -5.850 9.220 4.293 526 HG23 THR 66 2HG2 THR 66 -5.514 9.641 5.973 527 H MET 67 H MET 67 -2.063 7.069 4.742 528 HA MET 67 HA MET 67 -3.632 5.262 6.238 529 HB2 MET 67 2HB MET 67 -2.565 3.511 5.059 530 HB3 MET 67 3HB MET 67 -2.635 4.858 3.934 531 HG2 MET 67 2HG MET 67 -0.317 5.358 4.301 532 HG3 MET 67 3HG MET 67 -0.218 4.137 5.569 533 HE1 MET 67 3HE MET 67 1.944 4.113 3.411 534 HE2 MET 67 1HE MET 67 1.974 2.411 2.945 535 HE3 MET 67 2HE MET 67 1.772 2.858 4.640 536 H VAL 68 H VAL 68 -0.314 6.387 6.603 537 HA VAL 68 HA VAL 68 0.586 4.505 8.459 538 HB VAL 68 HB VAL 68 1.377 7.384 8.028 539 HG11 VAL 68 1HG1 VAL 68 2.721 5.330 9.790 540 HG12 VAL 68 2HG1 VAL 68 1.911 6.803 10.332 541 HG13 VAL 68 3HG1 VAL 68 3.380 6.911 9.362 542 HG21 VAL 68 3HG2 VAL 68 1.899 5.971 6.170 543 HG22 VAL 68 1HG2 VAL 68 2.580 4.739 7.234 544 HG23 VAL 68 2HG2 VAL 68 3.395 6.289 7.048 545 H ASP 69 H ASP 69 -0.939 7.684 9.021 546 HA ASP 69 HA ASP 69 -0.869 7.355 11.872 547 HB2 ASP 69 2HB ASP 69 -0.861 9.569 10.619 548 HB3 ASP 69 3HB ASP 69 -2.582 9.316 10.343 549 H ALA 70 H ALA 70 -3.331 6.989 9.365 550 HA ALA 70 HA ALA 70 -5.538 6.628 11.060 551 HB1 ALA 70 3HB ALA 70 -5.119 5.489 8.300 552 HB2 ALA 70 1HB ALA 70 -5.740 7.098 8.669 553 HB3 ALA 70 2HB ALA 70 -6.664 5.670 9.131 554 H PHE 71 H PHE 71 -3.280 4.273 9.661 555 HA PHE 71 HA PHE 71 -4.699 2.073 10.829 556 HB2 PHE 71 2HB PHE 71 -2.137 2.284 9.289 557 HB3 PHE 71 3HB PHE 71 -2.609 0.775 10.066 558 HD1 PHE 71 HD1 PHE 71 -4.867 -0.211 9.468 559 HD2 PHE 71 HD2 PHE 71 -3.004 2.869 7.204 560 HE1 PHE 71 HE1 PHE 71 -6.296 -0.763 7.540 561 HE2 PHE 71 HE2 PHE 71 -4.423 2.325 5.280 562 HZ PHE 71 HZ PHE 71 -6.070 0.507 5.441 563 H LYS 72 H LYS 72 -1.885 3.998 11.758 564 HA LYS 72 HA LYS 72 -0.989 2.185 13.741 565 HB2 LYS 72 2HB LYS 72 0.332 4.008 14.656 566 HB3 LYS 72 3HB LYS 72 0.460 3.985 12.908 567 HG2 LYS 72 2HG LYS 72 0.278 6.229 13.384 568 HG3 LYS 72 3HG LYS 72 -1.375 5.790 12.967 569 HD2 LYS 72 2HD LYS 72 -1.462 7.182 14.903 570 HD3 LYS 72 3HD LYS 72 -1.835 5.537 15.418 571 HE2 LYS 72 2HE LYS 72 0.501 5.266 16.146 572 HE3 LYS 72 3HE LYS 72 0.819 6.942 15.693 573 HZ1 LYS 72 3HZ LYS 72 -0.916 5.927 17.870 574 HZ2 LYS 72 1HZ LYS 72 -1.047 7.513 17.286 575 HZ3 LYS 72 2HZ LYS 72 0.403 6.985 17.974 576 H GLY 73 H GLY 73 -3.571 4.489 13.654 577 HA2 GLY 73 2HA GLY 73 -3.970 4.296 16.534 578 HA3 GLY 73 3HA GLY 73 -4.922 5.254 15.412 579 H ASN 74 H ASN 74 -4.466 2.039 14.355 580 HA ASN 74 HA ASN 74 -7.005 1.195 15.566 581 HB2 ASN 74 2HB ASN 74 -7.356 2.330 13.298 582 HB3 ASN 74 3HB ASN 74 -6.531 0.949 12.593 583 HD21 ASN 74 1HD2 ASN 74 -7.744 -0.939 14.541 584 HD22 ASN 74 2HD2 ASN 74 -9.376 -1.127 14.010 585 H LEU 75 H LEU 75 -4.307 0.230 13.431 586 HA LEU 75 HA LEU 75 -4.712 -2.541 14.364 587 HB2 LEU 75 2HB LEU 75 -5.380 -2.151 12.012 588 HB3 LEU 75 3HB LEU 75 -3.752 -1.618 11.652 589 HG LEU 75 HG LEU 75 -2.954 -3.923 12.308 590 HD11 LEU 75 1HD1 LEU 75 -4.621 -5.718 12.316 591 HD12 LEU 75 2HD1 LEU 75 -5.906 -4.513 12.242 592 HD13 LEU 75 3HD1 LEU 75 -4.852 -4.593 13.653 593 HD21 LEU 75 3HD2 LEU 75 -4.906 -3.797 10.015 594 HD22 LEU 75 1HD2 LEU 75 -3.569 -4.933 10.195 595 HD23 LEU 75 2HD2 LEU 75 -3.243 -3.213 9.969 596 H GLU 76 H GLU 76 -2.825 -0.305 15.277 597 HA GLU 76 HA GLU 76 -0.220 -0.901 14.413 598 HB2 GLU 76 2HB GLU 76 0.574 0.295 16.369 599 HB3 GLU 76 3HB GLU 76 -0.783 1.151 15.652 600 HG2 GLU 76 2HG GLU 76 -2.255 0.415 17.370 601 HG3 GLU 76 3HG GLU 76 -1.042 -0.690 18.015 602 H HIS 77 H HIS 77 -2.114 -2.171 17.098 603 HA HIS 77 HA HIS 77 -0.917 -4.702 17.097 604 HB2 HIS 77 2HB HIS 77 1.010 -3.320 18.013 605 HB3 HIS 77 3HB HIS 77 -0.001 -2.970 19.410 606 HD1 HIS 77 HD1 HIS 77 1.245 -6.081 17.587 607 HD2 HIS 77 HD2 HIS 77 0.436 -4.712 21.433 608 HE1 HIS 77 HE1 HIS 77 1.923 -7.944 19.131 609 HE2 HIS 77 HE2 HIS 77 1.666 -6.990 21.443 610 H HIS 78 H HIS 78 -3.457 -4.146 17.038 611 HA HIS 78 HA HIS 78 -4.776 -3.643 19.485 612 HB2 HIS 78 2HB HIS 78 -5.784 -3.475 17.163 613 HB3 HIS 78 3HB HIS 78 -5.876 -5.233 17.159 614 HD1 HIS 78 HD1 HIS 78 -7.641 -6.338 18.719 615 HD2 HIS 78 HD2 HIS 78 -7.679 -2.177 18.726 616 HE1 HIS 78 HE1 HIS 78 -9.803 -5.680 19.819 617 HE2 HIS 78 HE2 HIS 78 -9.896 -3.167 19.617 618 H HIS 79 H HIS 79 -5.293 -4.970 21.149 619 HA HIS 79 HA HIS 79 -4.702 -7.829 20.815 620 HB2 HIS 79 2HB HIS 79 -2.726 -6.701 21.776 621 HB3 HIS 79 3HB HIS 79 -3.722 -6.111 23.102 622 HD1 HIS 79 HD1 HIS 79 -3.210 -7.402 25.133 623 HD2 HIS 79 HD2 HIS 79 -3.142 -9.794 21.729 624 HE1 HIS 79 HE1 HIS 79 -2.732 -9.735 25.947 625 HE2 HIS 79 HE2 HIS 79 -2.738 -11.178 23.878 626 H HIS 80 H HIS 80 -5.716 -5.669 23.487 627 HA HIS 80 HA HIS 80 -8.039 -7.442 23.847 628 HB2 HIS 80 2HB HIS 80 -6.316 -7.997 25.519 629 HB3 HIS 80 3HB HIS 80 -6.289 -6.320 26.048 630 HD1 HIS 80 HD1 HIS 80 -8.465 -9.401 26.120 631 HD2 HIS 80 HD2 HIS 80 -8.279 -5.610 27.833 632 HE1 HIS 80 HE1 HIS 80 -10.181 -9.400 27.952 633 HE2 HIS 80 HE2 HIS 80 -9.906 -7.175 29.106 634 H HIS 81 H HIS 81 -9.901 -6.400 23.868 635 HA HIS 81 HA HIS 81 -9.972 -3.607 24.813 636 HB2 HIS 81 2HB HIS 81 -10.065 -3.657 22.328 637 HB3 HIS 81 3HB HIS 81 -11.473 -4.710 22.418 638 HD1 HIS 81 HD1 HIS 81 -10.458 -1.187 22.459 639 HD2 HIS 81 HD2 HIS 81 -13.833 -3.401 23.463 640 HE1 HIS 81 HE1 HIS 81 -12.334 0.479 22.646 641 HE2 HIS 81 HE2 HIS 81 -14.296 -0.853 23.493 642 H HIS 82 H HIS 82 -11.554 -3.219 26.284 643 HA HIS 82 HA HIS 82 -13.250 -5.438 27.035 644 HB2 HIS 82 2HB HIS 82 -14.050 -3.978 28.873 645 HB3 HIS 82 3HB HIS 82 -12.302 -4.158 28.851 646 HD1 HIS 82 HD1 HIS 82 -15.031 -1.633 28.435 647 HD2 HIS 82 HD2 HIS 82 -10.876 -1.807 28.313 648 HE1 HIS 82 HE1 HIS 82 -14.243 0.759 28.517 649 HE2 HIS 82 HE2 HIS 82 -11.726 0.615 28.611 650 H1 MET 1 1H MET 1 -23.479 -26.333 -8.037 651 H2 MET 1 2H MET 1 -23.893 -25.159 -6.887 652 H3 MET 1 3H MET 1 -25.063 -26.255 -7.435 653 HA MET 1 HA MET 1 -24.312 -26.850 -5.245 654 HB2 MET 1 2HB MET 1 -23.385 -28.703 -7.446 655 HB3 MET 1 3HB MET 1 -23.486 -29.170 -5.755 656 HG2 MET 1 2HG MET 1 -25.768 -28.298 -7.511 657 HG3 MET 1 3HG MET 1 -25.436 -29.937 -6.952 658 HE1 MET 1 3HE MET 1 -27.964 -30.094 -6.094 659 HE2 MET 1 1HE MET 1 -28.257 -28.441 -6.634 660 HE3 MET 1 2HE MET 1 -28.694 -28.922 -4.994 661 H LYS 2 H LYS 2 -22.416 -28.232 -4.262 662 HA LYS 2 HA LYS 2 -20.370 -28.164 -3.314 663 HB2 LYS 2 2HB LYS 2 -19.518 -28.651 -5.567 664 HB3 LYS 2 3HB LYS 2 -19.470 -26.930 -5.921 665 HG2 LYS 2 2HG LYS 2 -17.816 -26.631 -4.121 666 HG3 LYS 2 3HG LYS 2 -17.833 -28.374 -3.848 667 HD2 LYS 2 2HD LYS 2 -17.154 -27.122 -6.503 668 HD3 LYS 2 3HD LYS 2 -15.944 -27.504 -5.278 669 HE2 LYS 2 2HE LYS 2 -17.850 -29.515 -6.468 670 HE3 LYS 2 3HE LYS 2 -16.212 -29.239 -7.056 671 HZ1 LYS 2 3HZ LYS 2 -16.165 -31.090 -5.595 672 HZ2 LYS 2 1HZ LYS 2 -17.013 -30.262 -4.387 673 HZ3 LYS 2 2HZ LYS 2 -15.433 -29.803 -4.774 674 H LYS 3 H LYS 3 -19.817 -25.265 -5.197 675 HA LYS 3 HA LYS 3 -20.658 -23.253 -3.556 676 HB2 LYS 3 2HB LYS 3 -19.145 -24.472 -1.858 677 HB3 LYS 3 3HB LYS 3 -17.797 -23.852 -2.801 678 HG2 LYS 3 2HG LYS 3 -18.464 -21.583 -2.350 679 HG3 LYS 3 3HG LYS 3 -19.919 -22.142 -1.522 680 HD2 LYS 3 2HD LYS 3 -18.386 -23.368 0.070 681 HD3 LYS 3 3HD LYS 3 -17.053 -22.474 -0.661 682 HE2 LYS 3 2HE LYS 3 -17.850 -21.405 1.395 683 HE3 LYS 3 3HE LYS 3 -18.083 -20.368 -0.013 684 HZ1 LYS 3 3HZ LYS 3 -20.380 -20.840 -0.043 685 HZ2 LYS 3 1HZ LYS 3 -20.004 -20.496 1.574 686 HZ3 LYS 3 2HZ LYS 3 -20.228 -22.106 1.079 687 H MET 4 H MET 4 -18.310 -24.544 -5.704 688 HA MET 4 HA MET 4 -17.036 -22.072 -6.362 689 HB2 MET 4 2HB MET 4 -16.956 -24.820 -7.584 690 HB3 MET 4 3HB MET 4 -16.089 -23.458 -8.279 691 HG2 MET 4 2HG MET 4 -15.720 -24.435 -5.460 692 HG3 MET 4 3HG MET 4 -14.713 -24.916 -6.824 693 HE1 MET 4 3HE MET 4 -13.122 -23.317 -8.138 694 HE2 MET 4 1HE MET 4 -12.971 -21.589 -7.834 695 HE3 MET 4 2HE MET 4 -14.466 -22.238 -8.512 696 H ALA 5 H ALA 5 -17.483 -20.656 -7.866 697 HA ALA 5 HA ALA 5 -18.952 -21.347 -10.255 698 HB1 ALA 5 3HB ALA 5 -19.976 -19.206 -8.390 699 HB2 ALA 5 1HB ALA 5 -20.784 -20.724 -8.779 700 HB3 ALA 5 2HB ALA 5 -20.561 -19.498 -10.028 701 H GLU 6 H GLU 6 -16.760 -20.975 -10.933 702 HA GLU 6 HA GLU 6 -14.982 -19.811 -11.726 703 HB2 GLU 6 2HB GLU 6 -16.981 -17.548 -11.798 704 HB3 GLU 6 3HB GLU 6 -15.362 -17.449 -12.471 705 HG2 GLU 6 2HG GLU 6 -15.989 -19.443 -13.896 706 HG3 GLU 6 3HG GLU 6 -17.650 -19.159 -13.374 707 H PHE 7 H PHE 7 -13.925 -17.336 -11.284 708 HA PHE 7 HA PHE 7 -13.656 -17.270 -8.370 709 HB2 PHE 7 2HB PHE 7 -11.942 -16.081 -10.551 710 HB3 PHE 7 3HB PHE 7 -11.693 -15.764 -8.836 711 HD1 PHE 7 HD2 PHE 7 -11.011 -17.591 -7.326 712 HD2 PHE 7 HD1 PHE 7 -11.258 -18.134 -11.541 713 HE1 PHE 7 HE2 PHE 7 -9.645 -19.629 -7.141 714 HE2 PHE 7 HE1 PHE 7 -9.895 -20.174 -11.360 715 HZ PHE 7 HZ PHE 7 -9.087 -20.923 -9.160 716 H THR 8 H THR 8 -14.968 -15.970 -7.361 717 HA THR 8 HA THR 8 -15.743 -13.431 -8.634 718 HB THR 8 HB THR 8 -17.622 -13.435 -6.971 719 HG1 THR 8 HG1 THR 8 -16.429 -15.026 -5.584 720 HG21 THR 8 3HG2 THR 8 -18.952 -15.146 -8.118 721 HG22 THR 8 1HG2 THR 8 -17.476 -15.842 -8.789 722 HG23 THR 8 2HG2 THR 8 -17.978 -14.218 -9.260 723 H PHE 9 H PHE 9 -14.968 -11.597 -7.792 724 HA PHE 9 HA PHE 9 -13.777 -11.715 -5.109 725 HB2 PHE 9 2HB PHE 9 -12.525 -9.641 -5.811 726 HB3 PHE 9 3HB PHE 9 -12.102 -11.103 -6.690 727 HD1 PHE 9 HD2 PHE 9 -12.733 -11.372 -9.032 728 HD2 PHE 9 HD1 PHE 9 -13.588 -7.782 -6.911 729 HE1 PHE 9 HE2 PHE 9 -13.131 -10.213 -11.163 730 HE2 PHE 9 HE1 PHE 9 -13.985 -6.618 -9.042 731 HZ PHE 9 HZ PHE 9 -13.757 -7.831 -11.169 732 H GLU 10 H GLU 10 -14.716 -10.664 -3.518 733 HA GLU 10 HA GLU 10 -16.869 -8.763 -4.195 734 HB2 GLU 10 2HB GLU 10 -16.707 -10.636 -1.825 735 HB3 GLU 10 3HB GLU 10 -18.046 -9.565 -2.210 736 HG2 GLU 10 2HG GLU 10 -17.138 -11.761 -4.043 737 HG3 GLU 10 3HG GLU 10 -18.352 -11.996 -2.786 738 H ILE 11 H ILE 11 -17.081 -6.906 -2.950 739 HA ILE 11 HA ILE 11 -14.743 -6.163 -1.374 740 HB ILE 11 HB ILE 11 -17.183 -4.506 -2.057 741 HG12 ILE 11 2HG1 ILE 11 -14.451 -4.533 -3.366 742 HG13 ILE 11 3HG1 ILE 11 -15.906 -5.236 -4.062 743 HG21 ILE 11 1HG2 ILE 11 -16.014 -3.684 -0.096 744 HG22 ILE 11 2HG2 ILE 11 -15.742 -2.598 -1.459 745 HG23 ILE 11 3HG2 ILE 11 -14.479 -3.725 -0.965 746 HD11 ILE 11 3HD1 ILE 11 -15.475 -2.322 -3.445 747 HD12 ILE 11 1HD1 ILE 11 -16.932 -3.024 -4.149 748 HD13 ILE 11 2HD1 ILE 11 -15.411 -3.071 -5.040 749 H GLU 12 H GLU 12 -14.816 -7.070 0.608 750 HA GLU 12 HA GLU 12 -17.370 -7.537 1.895 751 HB2 GLU 12 2HB GLU 12 -14.562 -8.240 2.750 752 HB3 GLU 12 3HB GLU 12 -16.032 -8.767 3.560 753 HG2 GLU 12 2HG GLU 12 -15.401 -9.389 0.694 754 HG3 GLU 12 3HG GLU 12 -14.970 -10.436 2.043 755 H GLU 13 H GLU 13 -14.644 -5.387 2.262 756 HA GLU 13 HA GLU 13 -15.975 -4.017 4.444 757 HB2 GLU 13 2HB GLU 13 -14.217 -6.064 5.046 758 HB3 GLU 13 3HB GLU 13 -13.212 -4.629 5.173 759 HG2 GLU 13 2HG GLU 13 -15.861 -4.849 6.556 760 HG3 GLU 13 3HG GLU 13 -14.370 -5.453 7.275 761 H HIS 14 H HIS 14 -15.467 -1.910 4.518 762 HA HIS 14 HA HIS 14 -13.325 -0.931 2.752 763 HB2 HIS 14 2HB HIS 14 -15.417 0.027 2.099 764 HB3 HIS 14 3HB HIS 14 -15.860 0.372 3.765 765 HD1 HIS 14 HD1 HIS 14 -13.789 1.692 0.918 766 HD2 HIS 14 HD2 HIS 14 -14.811 2.743 4.814 767 HE1 HIS 14 HE1 HIS 14 -13.025 4.063 1.209 768 HE2 HIS 14 HE2 HIS 14 -13.594 4.667 3.584 769 H LEU 15 H LEU 15 -11.502 -0.658 3.890 770 HA LEU 15 HA LEU 15 -11.520 -0.176 6.704 771 HB2 LEU 15 2HB LEU 15 -9.258 -0.025 4.709 772 HB3 LEU 15 3HB LEU 15 -9.069 0.021 6.453 773 HG LEU 15 HG LEU 15 -10.169 -2.308 4.872 774 HD11 LEU 15 1HD1 LEU 15 -8.096 -3.426 5.508 775 HD12 LEU 15 2HD1 LEU 15 -7.528 -1.946 6.279 776 HD13 LEU 15 3HD1 LEU 15 -7.777 -1.993 4.534 777 HD21 LEU 15 3HD2 LEU 15 -11.160 -2.154 7.094 778 HD22 LEU 15 1HD2 LEU 15 -9.554 -2.035 7.813 779 HD23 LEU 15 2HD2 LEU 15 -10.046 -3.518 6.995 780 H LEU 16 H LEU 16 -9.922 1.786 4.185 781 HA LEU 16 HA LEU 16 -11.322 4.158 4.913 782 HB2 LEU 16 2HB LEU 16 -9.395 5.405 5.805 783 HB3 LEU 16 3HB LEU 16 -9.888 4.088 6.851 784 HG LEU 16 HG LEU 16 -7.943 2.883 5.364 785 HD11 LEU 16 1HD1 LEU 16 -7.382 5.018 4.264 786 HD12 LEU 16 2HD1 LEU 16 -6.048 4.369 5.221 787 HD13 LEU 16 3HD1 LEU 16 -7.013 5.706 5.847 788 HD21 LEU 16 3HD2 LEU 16 -6.536 3.144 7.345 789 HD22 LEU 16 1HD2 LEU 16 -8.206 2.771 7.781 790 HD23 LEU 16 2HD2 LEU 16 -7.603 4.421 7.933 791 H THR 17 H THR 17 -10.895 5.891 3.533 792 HA THR 17 HA THR 17 -9.567 5.152 1.048 793 HB THR 17 HB THR 17 -11.188 7.623 1.717 794 HG1 THR 17 HG1 THR 17 -12.014 5.357 0.181 795 HG21 THR 17 3HG2 THR 17 -11.349 7.921 -0.706 796 HG22 THR 17 1HG2 THR 17 -10.329 6.503 -0.955 797 HG23 THR 17 2HG2 THR 17 -9.665 7.941 -0.182 798 H LEU 18 H LEU 18 -7.683 6.029 0.338 799 HA LEU 18 HA LEU 18 -6.148 7.651 2.164 800 HB2 LEU 18 2HB LEU 18 -5.447 6.848 -0.662 801 HB3 LEU 18 3HB LEU 18 -4.347 7.456 0.560 802 HG LEU 18 HG LEU 18 -5.740 4.780 0.553 803 HD11 LEU 18 1HD1 LEU 18 -2.835 5.552 0.353 804 HD12 LEU 18 2HD1 LEU 18 -3.843 4.936 -0.959 805 HD13 LEU 18 3HD1 LEU 18 -3.463 3.905 0.423 806 HD21 LEU 18 3HD2 LEU 18 -4.496 4.323 2.615 807 HD22 LEU 18 1HD2 LEU 18 -5.635 5.652 2.827 808 HD23 LEU 18 2HD2 LEU 18 -3.915 5.989 2.630 809 H SER 19 H SER 19 -7.310 8.006 -1.181 810 HA SER 19 HA SER 19 -8.167 10.678 -0.778 811 HB2 SER 19 2HB SER 19 -6.570 11.873 -2.143 812 HB3 SER 19 3HB SER 19 -5.676 11.020 -0.886 813 HG SER 19 HG SER 19 -4.832 9.701 -2.342 814 H GLU 20 H GLU 20 -9.174 11.562 -2.657 815 HA GLU 20 HA GLU 20 -9.289 9.782 -5.002 816 HB2 GLU 20 2HB GLU 20 -11.416 9.609 -3.800 817 HB3 GLU 20 3HB GLU 20 -11.567 11.358 -3.772 818 HG2 GLU 20 2HG GLU 20 -11.324 10.091 -6.430 819 HG3 GLU 20 3HG GLU 20 -12.818 9.804 -5.537 820 H ASN 21 H ASN 21 -8.084 10.841 -6.469 821 HA ASN 21 HA ASN 21 -8.287 13.776 -6.481 822 HB2 ASN 21 2HB ASN 21 -5.952 13.918 -7.125 823 HB3 ASN 21 3HB ASN 21 -6.108 13.007 -5.628 824 HD21 ASN 21 1HD2 ASN 21 -4.059 13.082 -7.816 825 HD22 ASN 21 2HD2 ASN 21 -3.841 11.428 -8.269 826 H GLU 22 H GLU 22 -7.299 14.690 -8.539 827 HA GLU 22 HA GLU 22 -7.231 15.017 -10.759 828 HB2 GLU 22 2HB GLU 22 -6.215 12.711 -10.809 829 HB3 GLU 22 3HB GLU 22 -7.824 12.088 -11.153 830 HG2 GLU 22 2HG GLU 22 -7.887 13.584 -13.148 831 HG3 GLU 22 3HG GLU 22 -6.194 13.965 -12.841 832 H LYS 23 H LYS 23 -9.613 12.392 -10.796 833 HA LYS 23 HA LYS 23 -11.810 14.227 -11.120 834 HB2 LYS 23 2HB LYS 23 -12.414 13.505 -13.380 835 HB3 LYS 23 3HB LYS 23 -10.843 14.296 -13.365 836 HG2 LYS 23 2HG LYS 23 -9.727 12.143 -13.483 837 HG3 LYS 23 3HG LYS 23 -11.285 11.316 -13.412 838 HD2 LYS 23 2HD LYS 23 -10.513 11.413 -15.702 839 HD3 LYS 23 3HD LYS 23 -11.941 12.432 -15.511 840 HE2 LYS 23 2HE LYS 23 -10.461 13.716 -16.795 841 HE3 LYS 23 3HE LYS 23 -10.309 14.359 -15.161 842 HZ1 LYS 23 3HZ LYS 23 -8.401 12.739 -16.704 843 HZ2 LYS 23 1HZ LYS 23 -8.368 12.665 -15.008 844 HZ3 LYS 23 2HZ LYS 23 -8.131 14.147 -15.797 845 H GLY 24 H GLY 24 -10.913 11.817 -9.533 846 HA2 GLY 24 2HA GLY 24 -12.883 10.575 -8.569 847 HA3 GLY 24 3HA GLY 24 -13.173 10.047 -10.218 848 H TRP 25 H TRP 25 -9.896 10.162 -9.895 849 HA TRP 25 HA TRP 25 -9.740 7.306 -9.701 850 HB2 TRP 25 2HB TRP 25 -7.802 9.484 -10.284 851 HB3 TRP 25 3HB TRP 25 -7.155 7.969 -9.654 852 HD1 TRP 25 HD1 TRP 25 -9.197 9.301 -12.649 853 HE1 TRP 25 HE1 TRP 25 -8.967 7.634 -14.603 854 HE3 TRP 25 HE3 TRP 25 -6.539 5.641 -10.265 855 HZ2 TRP 25 HZ2 TRP 25 -7.798 5.081 -15.058 856 HZ3 TRP 25 HZ3 TRP 25 -5.904 3.626 -11.523 857 HH2 TRP 25 HH2 TRP 25 -6.516 3.351 -13.875 858 H THR 26 H THR 26 -10.239 6.527 -7.826 859 HA THR 26 HA THR 26 -9.433 7.902 -5.386 860 HB THR 26 HB THR 26 -11.174 5.446 -5.600 861 HG1 THR 26 HG1 THR 26 -11.773 7.514 -6.884 862 HG21 THR 26 3HG2 THR 26 -11.015 7.687 -3.576 863 HG22 THR 26 1HG2 THR 26 -10.446 6.031 -3.349 864 HG23 THR 26 2HG2 THR 26 -12.171 6.354 -3.535 865 H LYS 27 H LYS 27 -8.046 7.090 -3.925 866 HA LYS 27 HA LYS 27 -6.957 4.383 -4.374 867 HB2 LYS 27 2HB LYS 27 -5.612 6.957 -3.824 868 HB3 LYS 27 3HB LYS 27 -5.059 5.610 -2.842 869 HG2 LYS 27 2HG LYS 27 -3.634 5.714 -4.715 870 HG3 LYS 27 3HG LYS 27 -4.701 4.334 -4.968 871 HD2 LYS 27 2HD LYS 27 -4.701 5.347 -7.046 872 HD3 LYS 27 3HD LYS 27 -6.154 6.014 -6.304 873 HE2 LYS 27 2HE LYS 27 -3.465 7.380 -6.452 874 HE3 LYS 27 3HE LYS 27 -4.846 7.726 -7.486 875 HZ1 LYS 27 3HZ LYS 27 -4.536 8.265 -4.589 876 HZ2 LYS 27 1HZ LYS 27 -6.058 8.262 -5.344 877 HZ3 LYS 27 2HZ LYS 27 -4.876 9.359 -5.841 878 H GLU 28 H GLU 28 -7.534 3.019 -2.792 879 HA GLU 28 HA GLU 28 -7.410 3.890 -0.046 880 HB2 GLU 28 2HB GLU 28 -9.696 3.200 0.527 881 HB3 GLU 28 3HB GLU 28 -9.670 4.574 -0.566 882 HG2 GLU 28 2HG GLU 28 -10.235 3.140 -2.431 883 HG3 GLU 28 3HG GLU 28 -10.184 1.722 -1.379 884 H ILE 29 H ILE 29 -8.073 2.040 1.435 885 HA ILE 29 HA ILE 29 -7.083 -0.472 0.265 886 HB ILE 29 HB ILE 29 -6.886 0.398 3.155 887 HG12 ILE 29 2HG1 ILE 29 -4.759 0.356 0.996 888 HG13 ILE 29 3HG1 ILE 29 -5.485 1.802 1.690 889 HG21 ILE 29 1HG2 ILE 29 -6.964 -2.025 2.837 890 HG22 ILE 29 2HG2 ILE 29 -5.364 -1.509 3.369 891 HG23 ILE 29 3HG2 ILE 29 -5.641 -1.922 1.677 892 HD11 ILE 29 3HD1 ILE 29 -3.771 -0.207 3.128 893 HD12 ILE 29 1HD1 ILE 29 -4.552 1.185 3.874 894 HD13 ILE 29 2HD1 ILE 29 -3.311 1.425 2.643 895 H ASN 30 H ASN 30 -8.297 -2.273 0.515 896 HA ASN 30 HA ASN 30 -10.667 -2.135 2.209 897 HB2 ASN 30 2HB ASN 30 -12.222 -2.627 0.461 898 HB3 ASN 30 3HB ASN 30 -11.287 -1.232 -0.055 899 HD21 ASN 30 1HD2 ASN 30 -8.949 -2.773 -0.842 900 HD22 ASN 30 2HD2 ASN 30 -9.375 -3.632 -2.275 901 H ARG 31 H ARG 31 -11.933 -4.294 1.932 902 HA ARG 31 HA ARG 31 -9.953 -6.472 1.957 903 HB2 ARG 31 2HB ARG 31 -12.450 -5.998 3.558 904 HB3 ARG 31 3HB ARG 31 -11.805 -7.622 3.366 905 HG2 ARG 31 2HG ARG 31 -9.742 -6.987 4.414 906 HG3 ARG 31 3HG ARG 31 -10.247 -5.300 4.474 907 HD2 ARG 31 2HD ARG 31 -10.453 -6.665 6.620 908 HD3 ARG 31 3HD ARG 31 -11.851 -5.715 6.127 909 HE ARG 31 HE ARG 31 -13.038 -7.649 5.932 910 HH11 ARG 31 1HH1 ARG 31 -9.637 -8.480 5.855 911 HH12 ARG 31 2HH1 ARG 31 -9.925 -10.188 5.898 912 HH21 ARG 31 1HH2 ARG 31 -13.424 -9.883 6.014 913 HH22 ARG 31 2HH2 ARG 31 -12.076 -10.989 5.973 914 H VAL 32 H VAL 32 -10.031 -7.447 0.031 915 HA VAL 32 HA VAL 32 -12.654 -7.951 -1.195 916 HB VAL 32 HB VAL 32 -9.892 -8.214 -2.398 917 HG11 VAL 32 1HG1 VAL 32 -11.056 -8.472 -4.531 918 HG12 VAL 32 2HG1 VAL 32 -12.607 -8.428 -3.692 919 HG13 VAL 32 3HG1 VAL 32 -11.490 -9.760 -3.406 920 HG21 VAL 32 3HG2 VAL 32 -12.011 -6.093 -2.696 921 HG22 VAL 32 1HG2 VAL 32 -10.591 -6.237 -3.735 922 HG23 VAL 32 2HG2 VAL 32 -10.392 -5.906 -2.015 923 H SER 33 H SER 33 -13.526 -9.911 -1.146 924 HA SER 33 HA SER 33 -11.889 -12.161 -0.241 925 HB2 SER 33 2HB SER 33 -14.079 -13.309 0.070 926 HB3 SER 33 3HB SER 33 -13.949 -11.812 0.999 927 HG SER 33 HG SER 33 -15.899 -11.684 0.035 928 H PHE 34 H PHE 34 -11.749 -14.079 -1.395 929 HA PHE 34 HA PHE 34 -12.667 -13.933 -4.181 930 HB2 PHE 34 2HB PHE 34 -10.232 -15.345 -3.067 931 HB3 PHE 34 3HB PHE 34 -10.755 -15.404 -4.748 932 HD1 PHE 34 HD2 PHE 34 -10.658 -13.368 -6.142 933 HD2 PHE 34 HD1 PHE 34 -9.052 -13.472 -2.203 934 HE1 PHE 34 HE2 PHE 34 -9.373 -11.324 -6.618 935 HE2 PHE 34 HE1 PHE 34 -7.765 -11.425 -2.670 936 HZ PHE 34 HZ PHE 34 -7.924 -10.347 -4.879 937 H ASN 35 H ASN 35 -14.392 -15.116 -4.390 938 HA ASN 35 HA ASN 35 -15.901 -16.791 -4.304 939 HB2 ASN 35 2HB ASN 35 -13.426 -18.431 -3.766 940 HB3 ASN 35 3HB ASN 35 -15.025 -19.145 -3.962 941 HD21 ASN 35 1HD2 ASN 35 -14.408 -20.252 -5.814 942 HD22 ASN 35 2HD2 ASN 35 -14.187 -19.441 -7.328 943 H GLY 36 H GLY 36 -13.818 -18.131 -1.761 944 HA2 GLY 36 2HA GLY 36 -15.899 -17.430 0.204 945 HA3 GLY 36 3HA GLY 36 -15.341 -19.092 0.079 946 H ALA 37 H ALA 37 -12.986 -16.709 -0.533 947 HA ALA 37 HA ALA 37 -11.391 -17.521 1.683 948 HB1 ALA 37 3HB ALA 37 -10.384 -16.842 -0.429 949 HB2 ALA 37 1HB ALA 37 -9.813 -15.815 0.888 950 HB3 ALA 37 2HB ALA 37 -11.037 -15.216 -0.230 951 HA PRO 38 HA PRO 38 -12.684 -14.670 4.795 952 HB2 PRO 38 2HB PRO 38 -10.383 -14.262 6.171 953 HB3 PRO 38 3HB PRO 38 -11.273 -15.789 6.227 954 HG2 PRO 38 2HG PRO 38 -8.863 -15.058 4.609 955 HG3 PRO 38 3HG PRO 38 -9.189 -16.548 5.513 956 HD2 PRO 38 2HD PRO 38 -9.509 -16.366 2.832 957 HD3 PRO 38 3HD PRO 38 -10.520 -17.416 3.846 958 H ALA 39 H ALA 39 -11.193 -13.631 2.194 959 HA ALA 39 HA ALA 39 -10.905 -11.617 1.220 960 HB1 ALA 39 3HB ALA 39 -11.882 -10.402 3.797 961 HB2 ALA 39 1HB ALA 39 -12.911 -10.946 2.471 962 HB3 ALA 39 2HB ALA 39 -11.783 -9.614 2.222 963 H LYS 40 H LYS 40 -9.162 -10.464 0.798 964 HA LYS 40 HA LYS 40 -7.067 -10.368 2.856 965 HB2 LYS 40 2HB LYS 40 -6.935 -10.215 -0.160 966 HB3 LYS 40 3HB LYS 40 -5.558 -9.882 0.880 967 HG2 LYS 40 2HG LYS 40 -7.070 -12.485 0.834 968 HG3 LYS 40 3HG LYS 40 -5.576 -12.173 -0.052 969 HD2 LYS 40 2HD LYS 40 -4.430 -11.705 2.064 970 HD3 LYS 40 3HD LYS 40 -5.924 -12.038 2.942 971 HE2 LYS 40 2HE LYS 40 -4.444 -13.968 2.999 972 HE3 LYS 40 3HE LYS 40 -5.910 -14.333 2.093 973 HZ1 LYS 40 3HZ LYS 40 -4.726 -14.102 0.045 974 HZ2 LYS 40 1HZ LYS 40 -3.845 -15.157 1.042 975 HZ3 LYS 40 2HZ LYS 40 -3.331 -13.552 0.839 976 H PHE 41 H PHE 41 -5.543 -8.401 2.509 977 HA PHE 41 HA PHE 41 -7.253 -6.003 2.374 978 HB2 PHE 41 2HB PHE 41 -4.536 -6.259 3.680 979 HB3 PHE 41 3HB PHE 41 -5.662 -4.919 3.832 980 HD1 PHE 41 HD1 PHE 41 -7.684 -5.152 5.214 981 HD2 PHE 41 HD2 PHE 41 -4.761 -8.239 4.993 982 HE1 PHE 41 HE1 PHE 41 -8.618 -6.182 7.245 983 HE2 PHE 41 HE2 PHE 41 -5.695 -9.275 7.019 984 HZ PHE 41 HZ PHE 41 -7.624 -8.245 8.148 985 H ASP 42 H ASP 42 -7.012 -4.927 0.472 986 HA ASP 42 HA ASP 42 -4.292 -4.818 -0.634 987 HB2 ASP 42 2HB ASP 42 -5.098 -5.090 -2.888 988 HB3 ASP 42 3HB ASP 42 -5.668 -6.436 -1.913 989 H ILE 43 H ILE 43 -3.689 -3.004 -1.712 990 HA ILE 43 HA ILE 43 -5.329 -0.623 -1.241 991 HB ILE 43 HB ILE 43 -2.490 -0.748 -2.274 992 HG12 ILE 43 2HG1 ILE 43 -3.443 -0.393 0.581 993 HG13 ILE 43 3HG1 ILE 43 -2.636 -1.823 -0.053 994 HG21 ILE 43 1HG2 ILE 43 -3.630 1.348 -2.725 995 HG22 ILE 43 2HG2 ILE 43 -2.401 1.585 -1.483 996 HG23 ILE 43 3HG2 ILE 43 -4.102 1.479 -1.029 997 HD11 ILE 43 3HD1 ILE 43 -0.628 -0.510 -0.470 998 HD12 ILE 43 1HD1 ILE 43 -1.115 -0.424 1.223 999 HD13 ILE 43 2HD1 ILE 43 -1.442 0.931 0.144 1000 H ARG 44 H ARG 44 -6.698 -0.189 -2.889 1001 HA ARG 44 HA ARG 44 -5.781 -0.855 -5.603 1002 HB2 ARG 44 2HB ARG 44 -7.554 -2.378 -4.392 1003 HB3 ARG 44 3HB ARG 44 -8.665 -1.096 -4.853 1004 HG2 ARG 44 2HG ARG 44 -8.137 -1.411 -7.178 1005 HG3 ARG 44 3HG ARG 44 -6.902 -2.601 -6.768 1006 HD2 ARG 44 2HD ARG 44 -9.866 -2.853 -6.280 1007 HD3 ARG 44 3HD ARG 44 -8.939 -3.701 -7.515 1008 HE ARG 44 HE ARG 44 -8.384 -4.098 -4.637 1009 HH11 ARG 44 1HH1 ARG 44 -9.069 -5.382 -7.824 1010 HH12 ARG 44 2HH1 ARG 44 -8.996 -7.040 -7.314 1011 HH21 ARG 44 1HH2 ARG 44 -8.315 -6.268 -3.954 1012 HH22 ARG 44 2HH2 ARG 44 -8.567 -7.538 -5.120 1013 H ALA 45 H ALA 45 -7.130 0.208 -7.311 1014 HA ALA 45 HA ALA 45 -7.731 2.971 -6.511 1015 HB1 ALA 45 3HB ALA 45 -6.906 3.665 -8.710 1016 HB2 ALA 45 1HB ALA 45 -6.516 1.988 -9.094 1017 HB3 ALA 45 2HB ALA 45 -5.659 2.821 -7.793 1018 H TRP 46 H TRP 46 -9.649 3.764 -7.070 1019 HA TRP 46 HA TRP 46 -11.340 2.183 -8.892 1020 HB2 TRP 46 2HB TRP 46 -12.214 4.201 -6.807 1021 HB3 TRP 46 3HB TRP 46 -13.271 3.189 -7.786 1022 HD1 TRP 46 HD1 TRP 46 -12.018 3.339 -4.423 1023 HE1 TRP 46 HE1 TRP 46 -12.042 1.040 -3.266 1024 HE3 TRP 46 HE3 TRP 46 -12.589 0.364 -8.545 1025 HZ2 TRP 46 HZ2 TRP 46 -12.264 -1.677 -4.007 1026 HZ3 TRP 46 HZ3 TRP 46 -12.694 -2.075 -8.234 1027 HH2 TRP 46 HH2 TRP 46 -12.533 -3.073 -6.012 1028 H SER 47 H SER 47 -12.693 3.402 -10.408 1029 HA SER 47 HA SER 47 -12.040 6.133 -10.969 1030 HB2 SER 47 2HB SER 47 -9.944 5.244 -11.686 1031 HB3 SER 47 3HB SER 47 -10.725 3.924 -12.552 1032 HG SER 47 HG SER 47 -10.073 6.352 -13.442 1033 HA PRO 48 HA PRO 48 -15.673 5.583 -13.515 1034 HB2 PRO 48 2HB PRO 48 -15.215 8.016 -14.937 1035 HB3 PRO 48 3HB PRO 48 -16.266 7.769 -13.543 1036 HG2 PRO 48 2HG PRO 48 -13.952 9.302 -13.548 1037 HG3 PRO 48 3HG PRO 48 -14.741 8.645 -12.104 1038 HD2 PRO 48 2HD PRO 48 -12.367 7.639 -13.604 1039 HD3 PRO 48 3HD PRO 48 -12.678 7.636 -11.858 1040 H ASP 49 H ASP 49 -12.539 5.647 -14.683 1041 HA ASP 49 HA ASP 49 -13.152 5.588 -17.515 1042 HB2 ASP 49 2HB ASP 49 -11.111 6.694 -16.511 1043 HB3 ASP 49 3HB ASP 49 -10.510 5.089 -16.115 1044 H HIS 50 H HIS 50 -11.431 3.667 -18.489 1045 HA HIS 50 HA HIS 50 -12.459 1.156 -17.338 1046 HB2 HIS 50 2HB HIS 50 -11.925 1.849 -20.234 1047 HB3 HIS 50 3HB HIS 50 -12.243 0.215 -19.663 1048 HD1 HIS 50 HD1 HIS 50 -13.979 2.366 -21.551 1049 HD2 HIS 50 HD2 HIS 50 -14.845 0.780 -17.801 1050 HE1 HIS 50 HE1 HIS 50 -16.478 2.547 -21.290 1051 HE2 HIS 50 HE2 HIS 50 -16.969 1.673 -18.979 1052 H THR 51 H THR 51 -10.942 -0.646 -18.647 1053 HA THR 51 HA THR 51 -9.009 -1.771 -18.589 1054 HB THR 51 HB THR 51 -6.920 -0.651 -19.280 1055 HG1 THR 51 HG1 THR 51 -8.496 1.732 -19.348 1056 HG21 THR 51 3HG2 THR 51 -7.691 0.024 -21.503 1057 HG22 THR 51 1HG2 THR 51 -9.349 0.093 -20.908 1058 HG23 THR 51 2HG2 THR 51 -8.492 -1.449 -20.958 1059 H LYS 52 H LYS 52 -7.790 1.235 -17.113 1060 HA LYS 52 HA LYS 52 -7.146 1.752 -14.989 1061 HB2 LYS 52 2HB LYS 52 -7.991 -1.012 -14.111 1062 HB3 LYS 52 3HB LYS 52 -7.744 0.402 -13.097 1063 HG2 LYS 52 2HG LYS 52 -9.834 0.360 -15.237 1064 HG3 LYS 52 3HG LYS 52 -10.138 -0.311 -13.636 1065 HD2 LYS 52 2HD LYS 52 -9.632 1.854 -12.636 1066 HD3 LYS 52 3HD LYS 52 -9.296 2.516 -14.240 1067 HE2 LYS 52 2HE LYS 52 -11.550 3.093 -13.504 1068 HE3 LYS 52 3HE LYS 52 -11.582 2.058 -14.929 1069 HZ1 LYS 52 3HZ LYS 52 -11.933 0.152 -13.339 1070 HZ2 LYS 52 1HZ LYS 52 -13.221 1.248 -13.470 1071 HZ3 LYS 52 2HZ LYS 52 -12.198 1.307 -12.124 1072 H MET 53 H MET 53 -6.234 -1.284 -16.374 1073 HA MET 53 HA MET 53 -4.319 -2.473 -16.489 1074 HB2 MET 53 2HB MET 53 -3.198 -0.235 -16.726 1075 HB3 MET 53 3HB MET 53 -2.950 -0.236 -14.985 1076 HG2 MET 53 2HG MET 53 -1.578 -2.209 -15.139 1077 HG3 MET 53 3HG MET 53 -1.904 -2.339 -16.865 1078 HE1 MET 53 3HE MET 53 0.610 1.005 -14.918 1079 HE2 MET 53 1HE MET 53 -0.056 -0.373 -14.042 1080 HE3 MET 53 2HE MET 53 -1.133 0.864 -14.688 1081 H GLY 54 H GLY 54 -5.109 -1.022 -13.400 1082 HA2 GLY 54 2HA GLY 54 -5.554 -2.046 -11.395 1083 HA3 GLY 54 3HA GLY 54 -5.341 -3.593 -12.205 1084 H LYS 55 H LYS 55 -3.253 -0.825 -11.359 1085 HA LYS 55 HA LYS 55 -1.109 -2.631 -10.675 1086 HB2 LYS 55 2HB LYS 55 0.150 -0.593 -10.123 1087 HB3 LYS 55 3HB LYS 55 -0.540 -0.539 -11.737 1088 HG2 LYS 55 2HG LYS 55 -2.203 1.010 -11.072 1089 HG3 LYS 55 3HG LYS 55 -1.832 0.775 -9.361 1090 HD2 LYS 55 2HD LYS 55 -0.891 2.878 -10.241 1091 HD3 LYS 55 3HD LYS 55 0.355 1.771 -9.661 1092 HE2 LYS 55 2HE LYS 55 0.525 0.989 -12.092 1093 HE3 LYS 55 3HE LYS 55 -0.392 2.438 -12.493 1094 HZ1 LYS 55 3HZ LYS 55 2.256 2.314 -11.169 1095 HZ2 LYS 55 1HZ LYS 55 1.356 3.739 -11.340 1096 HZ3 LYS 55 2HZ LYS 55 1.916 2.913 -12.715 1097 H GLY 56 H GLY 56 -3.836 -1.875 -9.128 1098 HA2 GLY 56 2HA GLY 56 -3.068 -1.336 -6.480 1099 HA3 GLY 56 3HA GLY 56 -4.530 -2.192 -6.963 1100 H ILE 57 H ILE 57 -2.368 -2.626 -4.822 1101 HA ILE 57 HA ILE 57 -1.565 -5.328 -5.666 1102 HB ILE 57 HB ILE 57 0.304 -3.689 -5.686 1103 HG12 ILE 57 2HG1 ILE 57 0.694 -5.773 -3.540 1104 HG13 ILE 57 3HG1 ILE 57 0.591 -6.161 -5.255 1105 HG21 ILE 57 1HG2 ILE 57 -0.173 -3.575 -2.718 1106 HG22 ILE 57 2HG2 ILE 57 -0.348 -2.248 -3.868 1107 HG23 ILE 57 3HG2 ILE 57 1.244 -2.931 -3.543 1108 HD11 ILE 57 3HD1 ILE 57 2.646 -4.378 -3.968 1109 HD12 ILE 57 1HD1 ILE 57 2.542 -4.757 -5.689 1110 HD13 ILE 57 2HD1 ILE 57 2.901 -6.034 -4.522 1111 H THR 58 H THR 58 -1.755 -6.963 -4.228 1112 HA THR 58 HA THR 58 -3.483 -6.409 -1.949 1113 HB THR 58 HB THR 58 -2.713 -9.099 -3.088 1114 HG1 THR 58 HG1 THR 58 -4.989 -7.499 -3.727 1115 HG21 THR 58 3HG2 THR 58 -4.810 -9.835 -2.061 1116 HG22 THR 58 1HG2 THR 58 -5.086 -8.204 -1.449 1117 HG23 THR 58 2HG2 THR 58 -3.722 -9.148 -0.856 1118 H LEU 59 H LEU 59 -3.027 -6.983 0.142 1119 HA LEU 59 HA LEU 59 -0.347 -8.083 0.690 1120 HB2 LEU 59 2HB LEU 59 -1.882 -6.032 2.295 1121 HB3 LEU 59 3HB LEU 59 -0.392 -6.790 2.813 1122 HG LEU 59 HG LEU 59 0.599 -5.770 0.635 1123 HD11 LEU 59 1HD1 LEU 59 -1.802 -3.995 1.044 1124 HD12 LEU 59 2HD1 LEU 59 -1.512 -5.044 -0.343 1125 HD13 LEU 59 3HD1 LEU 59 -0.447 -3.671 -0.038 1126 HD21 LEU 59 3HD2 LEU 59 1.143 -3.727 1.858 1127 HD22 LEU 59 1HD2 LEU 59 1.236 -5.151 2.895 1128 HD23 LEU 59 2HD2 LEU 59 -0.153 -4.069 3.006 1129 H SER 60 H SER 60 -0.212 -9.601 2.349 1130 HA SER 60 HA SER 60 -2.724 -10.800 3.177 1131 HB2 SER 60 2HB SER 60 -1.182 -12.441 4.350 1132 HB3 SER 60 3HB SER 60 -1.027 -12.372 2.595 1133 HG SER 60 HG SER 60 0.789 -10.969 2.915 1134 H ASN 61 H ASN 61 -2.822 -11.463 5.597 1135 HA ASN 61 HA ASN 61 -3.246 -9.114 7.044 1136 HB2 ASN 61 2HB ASN 61 -4.361 -11.280 7.507 1137 HB3 ASN 61 3HB ASN 61 -2.846 -11.902 8.152 1138 HD21 ASN 61 1HD2 ASN 61 -4.007 -8.622 8.655 1139 HD22 ASN 61 2HD2 ASN 61 -4.301 -8.791 10.354 1140 H GLU 62 H GLU 62 -0.558 -11.410 7.188 1141 HA GLU 62 HA GLU 62 0.792 -10.191 9.345 1142 HB2 GLU 62 2HB GLU 62 2.830 -11.420 8.262 1143 HB3 GLU 62 3HB GLU 62 1.530 -12.340 8.996 1144 HG2 GLU 62 2HG GLU 62 1.457 -11.747 6.073 1145 HG3 GLU 62 3HG GLU 62 2.490 -13.036 6.686 1146 H GLU 63 H GLU 63 1.265 -9.855 5.832 1147 HA GLU 63 HA GLU 63 3.393 -8.010 5.963 1148 HB2 GLU 63 2HB GLU 63 1.275 -8.269 3.817 1149 HB3 GLU 63 3HB GLU 63 2.829 -7.465 3.644 1150 HG2 GLU 63 2HG GLU 63 4.000 -9.525 3.817 1151 HG3 GLU 63 3HG GLU 63 2.531 -10.390 4.279 1152 H PHE 64 H PHE 64 -0.094 -7.600 5.764 1153 HA PHE 64 HA PHE 64 -0.196 -4.813 5.542 1154 HB2 PHE 64 2HB PHE 64 -2.056 -6.579 5.270 1155 HB3 PHE 64 3HB PHE 64 -2.236 -6.469 7.017 1156 HD1 PHE 64 HD2 PHE 64 -2.292 -4.434 3.920 1157 HD2 PHE 64 HD1 PHE 64 -3.562 -4.821 7.961 1158 HE1 PHE 64 HE2 PHE 64 -3.787 -2.507 3.631 1159 HE2 PHE 64 HE1 PHE 64 -5.061 -2.894 7.678 1160 HZ PHE 64 HZ PHE 64 -5.174 -1.735 5.512 1161 H GLN 65 H GLN 65 -0.410 -6.906 8.403 1162 HA GLN 65 HA GLN 65 -0.507 -4.970 10.387 1163 HB2 GLN 65 2HB GLN 65 -0.830 -7.339 10.839 1164 HB3 GLN 65 3HB GLN 65 0.837 -7.681 10.400 1165 HG2 GLN 65 2HG GLN 65 0.576 -7.711 12.796 1166 HG3 GLN 65 3HG GLN 65 1.605 -6.362 12.312 1167 HE21 GLN 65 1HE2 GLN 65 0.855 -4.271 12.537 1168 HE22 GLN 65 2HE2 GLN 65 -0.536 -3.879 13.494 1169 H THR 66 H THR 66 2.308 -6.374 8.761 1170 HA THR 66 HA THR 66 4.286 -5.173 10.337 1171 HB THR 66 HB THR 66 4.342 -6.212 7.511 1172 HG1 THR 66 HG1 THR 66 4.945 -7.186 10.084 1173 HG21 THR 66 3HG2 THR 66 6.091 -4.520 7.707 1174 HG22 THR 66 1HG2 THR 66 6.794 -6.136 7.649 1175 HG23 THR 66 2HG2 THR 66 6.678 -5.280 9.187 1176 H MET 67 H MET 67 2.724 -4.021 7.345 1177 HA MET 67 HA MET 67 4.441 -1.793 7.050 1178 HB2 MET 67 2HB MET 67 3.077 -1.075 5.310 1179 HB3 MET 67 3HB MET 67 2.813 -2.812 5.310 1180 HG2 MET 67 2HG MET 67 0.709 -2.547 6.427 1181 HG3 MET 67 3HG MET 67 0.996 -0.822 6.640 1182 HE1 MET 67 3HE MET 67 -1.707 -1.595 5.543 1183 HE2 MET 67 1HE MET 67 -1.865 -0.583 4.106 1184 HE3 MET 67 2HE MET 67 -1.140 0.075 5.572 1185 H VAL 68 H VAL 68 1.520 -2.343 8.883 1186 HA VAL 68 HA VAL 68 0.964 0.365 9.503 1187 HB VAL 68 HB VAL 68 0.246 -2.140 11.037 1188 HG11 VAL 68 1HG1 VAL 68 -0.936 0.627 11.238 1189 HG12 VAL 68 2HG1 VAL 68 0.128 -0.121 12.429 1190 HG13 VAL 68 3HG1 VAL 68 -1.468 -0.805 12.119 1191 HG21 VAL 68 3HG2 VAL 68 -1.308 -0.539 9.006 1192 HG22 VAL 68 1HG2 VAL 68 -1.947 -1.887 9.947 1193 HG23 VAL 68 2HG2 VAL 68 -0.649 -2.161 8.783 1194 H ASP 69 H ASP 69 2.741 -2.174 11.298 1195 HA ASP 69 HA ASP 69 3.155 -0.416 13.524 1196 HB2 ASP 69 2HB ASP 69 4.257 -2.204 14.608 1197 HB3 ASP 69 3HB ASP 69 2.951 -2.930 13.686 1198 H ALA 70 H ALA 70 5.146 -1.492 10.810 1199 HA ALA 70 HA ALA 70 7.556 -0.403 11.836 1200 HB1 ALA 70 3HB ALA 70 6.855 -1.010 8.976 1201 HB2 ALA 70 1HB ALA 70 7.521 -2.160 10.133 1202 HB3 ALA 70 2HB ALA 70 8.474 -0.765 9.627 1203 H PHE 71 H PHE 71 5.094 0.879 9.609 1204 HA PHE 71 HA PHE 71 6.503 3.315 9.155 1205 HB2 PHE 71 2HB PHE 71 3.659 2.479 8.656 1206 HB3 PHE 71 3HB PHE 71 4.192 4.133 8.381 1207 HD1 PHE 71 HD2 PHE 71 6.955 3.565 7.379 1208 HD2 PHE 71 HD1 PHE 71 3.205 1.777 6.470 1209 HE1 PHE 71 HE2 PHE 71 7.806 2.919 5.163 1210 HE2 PHE 71 HE1 PHE 71 4.048 1.131 4.255 1211 HZ PHE 71 HZ PHE 71 6.349 1.701 3.598 1212 H LYS 72 H LYS 72 4.189 2.234 11.539 1213 HA LYS 72 HA LYS 72 3.561 4.678 12.744 1214 HB2 LYS 72 2HB LYS 72 2.498 2.503 13.313 1215 HB3 LYS 72 3HB LYS 72 3.984 2.011 14.113 1216 HG2 LYS 72 2HG LYS 72 3.231 4.522 15.175 1217 HG3 LYS 72 3HG LYS 72 1.804 3.492 15.157 1218 HD2 LYS 72 2HD LYS 72 4.474 2.804 16.381 1219 HD3 LYS 72 3HD LYS 72 3.024 3.286 17.262 1220 HE2 LYS 72 2HE LYS 72 1.876 1.292 16.259 1221 HE3 LYS 72 3HE LYS 72 3.449 0.782 15.646 1222 HZ1 LYS 72 3HZ LYS 72 4.254 0.835 17.981 1223 HZ2 LYS 72 1HZ LYS 72 3.052 -0.328 17.697 1224 HZ3 LYS 72 2HZ LYS 72 2.659 1.117 18.483 1225 H GLY 73 H GLY 73 6.347 2.566 13.076 1226 HA2 GLY 73 2HA GLY 73 7.544 4.392 15.032 1227 HA3 GLY 73 3HA GLY 73 8.136 2.790 14.620 1228 H ASN 74 H ASN 74 7.295 4.816 11.961 1229 HA ASN 74 HA ASN 74 10.096 5.663 11.677 1230 HB2 ASN 74 2HB ASN 74 9.747 3.619 10.315 1231 HB3 ASN 74 3HB ASN 74 8.468 4.450 9.433 1232 HD21 ASN 74 1HD2 ASN 74 11.455 5.937 10.521 1233 HD22 ASN 74 2HD2 ASN 74 12.113 6.209 8.948 1234 H LEU 75 H LEU 75 7.237 5.923 9.570 1235 HA LEU 75 HA LEU 75 7.895 8.632 8.952 1236 HB2 LEU 75 2HB LEU 75 6.823 7.148 7.314 1237 HB3 LEU 75 3HB LEU 75 5.391 7.066 8.324 1238 HG LEU 75 HG LEU 75 5.110 9.528 8.038 1239 HD11 LEU 75 1HD1 LEU 75 7.405 10.116 7.513 1240 HD12 LEU 75 2HD1 LEU 75 6.321 10.637 6.224 1241 HD13 LEU 75 3HD1 LEU 75 7.314 9.196 6.011 1242 HD21 LEU 75 3HD2 LEU 75 5.116 7.820 5.557 1243 HD22 LEU 75 1HD2 LEU 75 4.331 9.394 5.686 1244 HD23 LEU 75 2HD2 LEU 75 3.786 8.055 6.691 1245 H GLU 76 H GLU 76 7.454 10.325 10.098 1246 HA GLU 76 HA GLU 76 6.370 11.880 11.333 1247 HB2 GLU 76 2HB GLU 76 4.358 11.252 10.025 1248 HB3 GLU 76 3HB GLU 76 3.973 10.039 11.238 1249 HG2 GLU 76 2HG GLU 76 2.654 12.063 11.531 1250 HG3 GLU 76 3HG GLU 76 3.707 11.771 12.916 1251 H HIS 77 H HIS 77 4.887 8.899 12.585 1252 HA HIS 77 HA HIS 77 4.641 8.102 14.689 1253 HB2 HIS 77 2HB HIS 77 6.701 7.548 15.867 1254 HB3 HIS 77 3HB HIS 77 6.871 7.242 14.149 1255 HD1 HIS 77 HD1 HIS 77 8.801 8.338 12.974 1256 HD2 HIS 77 HD2 HIS 77 8.179 9.850 16.796 1257 HE1 HIS 77 HE1 HIS 77 10.771 9.820 13.443 1258 HE2 HIS 77 HE2 HIS 77 10.248 10.897 15.654 1259 H HIS 78 H HIS 78 3.906 10.763 14.482 1260 HA HIS 78 HA HIS 78 3.338 12.582 15.673 1261 HB2 HIS 78 2HB HIS 78 4.068 10.719 17.901 1262 HB3 HIS 78 3HB HIS 78 3.709 12.407 18.252 1263 HD1 HIS 78 HD1 HIS 78 1.312 13.023 18.460 1264 HD2 HIS 78 HD2 HIS 78 1.830 9.357 16.574 1265 HE1 HIS 78 HE1 HIS 78 -1.003 12.092 18.144 1266 HE2 HIS 78 HE2 HIS 78 -0.670 9.991 16.789 1267 H HIS 79 H HIS 79 4.765 13.904 14.721 1268 HA HIS 79 HA HIS 79 6.290 15.569 14.680 1269 HB2 HIS 79 2HB HIS 79 5.743 15.750 17.166 1270 HB3 HIS 79 3HB HIS 79 7.186 14.790 17.458 1271 HD1 HIS 79 HD1 HIS 79 6.295 18.004 15.614 1272 HD2 HIS 79 HD2 HIS 79 9.376 16.322 17.846 1273 HE1 HIS 79 HE1 HIS 79 8.021 19.814 15.859 1274 HE2 HIS 79 HE2 HIS 79 9.965 18.696 16.998 1275 H HIS 80 H HIS 80 7.547 14.841 13.123 1276 HA HIS 80 HA HIS 80 8.951 12.529 12.885 1277 HB2 HIS 80 2HB HIS 80 9.857 15.181 11.740 1278 HB3 HIS 80 3HB HIS 80 10.284 13.588 11.133 1279 HD1 HIS 80 HD1 HIS 80 8.663 12.480 9.528 1280 HD2 HIS 80 HD2 HIS 80 7.147 15.939 11.265 1281 HE1 HIS 80 HE1 HIS 80 6.536 12.988 8.288 1282 HE2 HIS 80 HE2 HIS 80 5.501 14.887 9.578 1283 H HIS 81 H HIS 81 10.616 15.604 13.629 1284 HA HIS 81 HA HIS 81 12.357 14.116 15.469 1285 HB2 HIS 81 2HB HIS 81 13.257 15.960 13.252 1286 HB3 HIS 81 3HB HIS 81 14.271 15.601 14.641 1287 HD1 HIS 81 HD1 HIS 81 14.451 14.760 11.409 1288 HD2 HIS 81 HD2 HIS 81 13.868 12.361 14.764 1289 HE1 HIS 81 HE1 HIS 81 15.196 12.455 10.736 1290 HE2 HIS 81 HE2 HIS 81 14.697 10.991 12.724 1291 H HIS 82 H HIS 82 13.194 15.366 17.193 1292 HA HIS 82 HA HIS 82 11.458 17.597 17.840 1293 HB2 HIS 82 2HB HIS 82 12.630 17.518 20.084 1294 HB3 HIS 82 3HB HIS 82 11.715 16.085 19.643 1295 HD1 HIS 82 HD1 HIS 82 15.357 17.155 19.165 1296 HD2 HIS 82 HD2 HIS 82 13.080 13.890 20.361 1297 HE1 HIS 82 HE1 HIS 82 17.011 15.368 19.789 1298 HE2 HIS 82 HE2 HIS 82 15.607 13.336 20.295 Start of MODEL 13 1 H1 MET 1 1H MET 1 14.606 6.935 -29.528 2 H2 MET 1 2H MET 1 13.664 6.698 -28.143 3 H3 MET 1 3H MET 1 14.442 5.383 -28.864 4 HA MET 1 HA MET 1 15.566 6.118 -26.852 5 HB2 MET 1 2HB MET 1 16.820 5.032 -28.672 6 HB3 MET 1 3HB MET 1 17.112 6.600 -29.407 7 HG2 MET 1 2HG MET 1 18.378 7.276 -27.402 8 HG3 MET 1 3HG MET 1 18.134 5.663 -26.734 9 HE1 MET 1 3HE MET 1 21.943 5.691 -27.704 10 HE2 MET 1 1HE MET 1 20.779 5.391 -26.413 11 HE3 MET 1 2HE MET 1 20.984 7.020 -27.055 12 H LYS 2 H LYS 2 16.675 8.433 -29.312 13 HA LYS 2 HA LYS 2 17.388 10.315 -27.315 14 HB2 LYS 2 2HB LYS 2 17.194 10.625 -30.313 15 HB3 LYS 2 3HB LYS 2 17.946 11.784 -29.226 16 HG2 LYS 2 2HG LYS 2 19.568 10.069 -28.550 17 HG3 LYS 2 3HG LYS 2 18.837 8.952 -29.707 18 HD2 LYS 2 2HD LYS 2 19.408 10.450 -31.541 19 HD3 LYS 2 3HD LYS 2 20.074 11.618 -30.399 20 HE2 LYS 2 2HE LYS 2 21.740 9.943 -29.705 21 HE3 LYS 2 3HE LYS 2 21.098 8.832 -30.915 22 HZ1 LYS 2 3HZ LYS 2 21.718 10.379 -32.641 23 HZ2 LYS 2 1HZ LYS 2 23.077 10.018 -31.689 24 HZ3 LYS 2 2HZ LYS 2 22.269 11.501 -31.495 25 H LYS 3 H LYS 3 16.076 11.581 -26.250 26 HA LYS 3 HA LYS 3 14.472 13.099 -25.729 27 HB2 LYS 3 2HB LYS 3 14.174 13.270 -28.727 28 HB3 LYS 3 3HB LYS 3 13.324 14.319 -27.602 29 HG2 LYS 3 2HG LYS 3 15.353 15.304 -26.861 30 HG3 LYS 3 3HG LYS 3 16.320 14.095 -27.704 31 HD2 LYS 3 2HD LYS 3 14.460 15.931 -29.185 32 HD3 LYS 3 3HD LYS 3 16.100 16.423 -28.767 33 HE2 LYS 3 2HE LYS 3 16.188 15.570 -30.975 34 HE3 LYS 3 3HE LYS 3 16.911 14.347 -29.934 35 HZ1 LYS 3 3HZ LYS 3 14.774 13.154 -29.989 36 HZ2 LYS 3 1HZ LYS 3 15.472 13.312 -31.527 37 HZ3 LYS 3 2HZ LYS 3 14.170 14.301 -31.080 38 H MET 4 H MET 4 13.957 10.135 -26.716 39 HA MET 4 HA MET 4 11.074 10.204 -27.065 40 HB2 MET 4 2HB MET 4 12.342 8.592 -28.365 41 HB3 MET 4 3HB MET 4 13.047 7.917 -26.903 42 HG2 MET 4 2HG MET 4 10.786 7.202 -26.198 43 HG3 MET 4 3HG MET 4 10.158 7.785 -27.739 44 HE1 MET 4 3HE MET 4 9.114 5.362 -28.195 45 HE2 MET 4 1HE MET 4 9.759 4.793 -26.656 46 HE3 MET 4 2HE MET 4 10.054 3.873 -28.132 47 H ALA 5 H ALA 5 13.378 8.744 -24.779 48 HA ALA 5 HA ALA 5 11.339 9.075 -22.689 49 HB1 ALA 5 3HB ALA 5 13.267 6.769 -22.969 50 HB2 ALA 5 1HB ALA 5 11.523 6.705 -23.222 51 HB3 ALA 5 2HB ALA 5 12.171 7.030 -21.612 52 H GLU 6 H GLU 6 12.244 11.042 -22.075 53 HA GLU 6 HA GLU 6 15.008 10.995 -21.118 54 HB2 GLU 6 2HB GLU 6 14.653 13.460 -20.788 55 HB3 GLU 6 3HB GLU 6 14.516 12.915 -22.455 56 HG2 GLU 6 2HG GLU 6 12.137 13.061 -22.382 57 HG3 GLU 6 3HG GLU 6 12.158 13.353 -20.644 58 H PHE 7 H PHE 7 11.981 10.349 -19.984 59 HA PHE 7 HA PHE 7 12.340 11.456 -17.346 60 HB2 PHE 7 2HB PHE 7 10.239 10.303 -16.780 61 HB3 PHE 7 3HB PHE 7 10.069 11.305 -18.216 62 HD1 PHE 7 HD1 PHE 7 9.997 10.220 -20.460 63 HD2 PHE 7 HD2 PHE 7 9.827 7.979 -16.847 64 HE1 PHE 7 HE1 PHE 7 9.072 8.305 -21.695 65 HE2 PHE 7 HE2 PHE 7 8.906 6.060 -18.077 66 HZ PHE 7 HZ PHE 7 8.527 6.221 -20.505 67 H THR 8 H THR 8 13.210 10.476 -15.651 68 HA THR 8 HA THR 8 13.954 7.650 -15.965 69 HB THR 8 HB THR 8 15.961 9.009 -16.086 70 HG1 THR 8 HG1 THR 8 16.075 8.027 -13.438 71 HG21 THR 8 3HG2 THR 8 16.675 10.417 -14.191 72 HG22 THR 8 1HG2 THR 8 15.111 10.149 -13.421 73 HG23 THR 8 2HG2 THR 8 15.202 11.019 -14.953 74 H PHE 9 H PHE 9 13.263 6.318 -14.463 75 HA PHE 9 HA PHE 9 12.376 7.423 -11.892 76 HB2 PHE 9 2HB PHE 9 10.760 5.509 -11.790 77 HB3 PHE 9 3HB PHE 9 10.408 6.675 -13.058 78 HD1 PHE 9 HD2 PHE 9 10.989 6.097 -15.428 79 HD2 PHE 9 HD1 PHE 9 11.130 3.238 -12.278 80 HE1 PHE 9 HE2 PHE 9 10.915 4.279 -17.081 81 HE2 PHE 9 HE1 PHE 9 11.054 1.415 -13.928 82 HZ PHE 9 HZ PHE 9 10.947 1.935 -16.331 83 H GLU 10 H GLU 10 13.556 6.762 -10.249 84 HA GLU 10 HA GLU 10 14.969 4.200 -10.493 85 HB2 GLU 10 2HB GLU 10 16.907 5.295 -9.295 86 HB3 GLU 10 3HB GLU 10 16.669 5.771 -10.968 87 HG2 GLU 10 2HG GLU 10 15.446 7.426 -8.819 88 HG3 GLU 10 3HG GLU 10 17.183 7.535 -9.096 89 H ILE 11 H ILE 11 15.536 3.173 -8.549 90 HA ILE 11 HA ILE 11 13.732 3.841 -6.339 91 HB ILE 11 HB ILE 11 15.444 1.368 -6.640 92 HG12 ILE 11 2HG1 ILE 11 12.512 1.643 -7.336 93 HG13 ILE 11 3HG1 ILE 11 13.805 1.682 -8.528 94 HG21 ILE 11 1HG2 ILE 11 13.831 0.407 -5.033 95 HG22 ILE 11 2HG2 ILE 11 13.049 1.983 -4.911 96 HG23 ILE 11 3HG2 ILE 11 14.716 1.782 -4.373 97 HD11 ILE 11 3HD1 ILE 11 14.456 -0.581 -7.906 98 HD12 ILE 11 1HD1 ILE 11 12.768 -0.510 -8.413 99 HD13 ILE 11 2HD1 ILE 11 13.170 -0.621 -6.700 100 H GLU 12 H GLU 12 14.824 5.528 -5.373 101 HA GLU 12 HA GLU 12 17.631 5.383 -4.819 102 HB2 GLU 12 2HB GLU 12 15.464 7.343 -4.113 103 HB3 GLU 12 3HB GLU 12 17.088 7.497 -3.456 104 HG2 GLU 12 2HG GLU 12 16.435 7.407 -6.391 105 HG3 GLU 12 3HG GLU 12 16.662 8.887 -5.461 106 H GLU 13 H GLU 13 14.668 5.064 -2.891 107 HA GLU 13 HA GLU 13 16.305 3.982 -0.725 108 HB2 GLU 13 2HB GLU 13 16.051 6.344 -0.229 109 HB3 GLU 13 3HB GLU 13 14.308 6.226 -0.425 110 HG2 GLU 13 2HG GLU 13 14.123 4.847 1.522 111 HG3 GLU 13 3HG GLU 13 15.877 4.750 1.671 112 H HIS 14 H HIS 14 15.424 2.324 0.324 113 HA HIS 14 HA HIS 14 12.663 1.553 -0.249 114 HB2 HIS 14 2HB HIS 14 14.924 0.161 1.192 115 HB3 HIS 14 3HB HIS 14 13.287 -0.476 1.146 116 HD1 HIS 14 HD1 HIS 14 16.357 -1.038 -0.396 117 HD2 HIS 14 HD2 HIS 14 12.486 -0.590 -1.836 118 HE1 HIS 14 HE1 HIS 14 16.331 -2.190 -2.631 119 HE2 HIS 14 HE2 HIS 14 13.896 -2.183 -3.298 120 H LEU 15 H LEU 15 11.050 1.559 1.304 121 HA LEU 15 HA LEU 15 11.649 2.897 3.813 122 HB2 LEU 15 2HB LEU 15 9.061 1.831 2.681 123 HB3 LEU 15 3HB LEU 15 9.199 2.664 4.217 124 HG LEU 15 HG LEU 15 9.848 3.866 1.525 125 HD11 LEU 15 1HD1 LEU 15 7.469 3.474 1.777 126 HD12 LEU 15 2HD1 LEU 15 7.825 5.194 1.886 127 HD13 LEU 15 3HD1 LEU 15 7.484 4.272 3.348 128 HD21 LEU 15 3HD2 LEU 15 11.190 4.813 3.329 129 HD22 LEU 15 1HD2 LEU 15 9.730 5.107 4.273 130 HD23 LEU 15 2HD2 LEU 15 9.990 5.972 2.760 131 H LEU 16 H LEU 16 10.115 -0.138 2.805 132 HA LEU 16 HA LEU 16 11.794 -1.675 4.496 133 HB2 LEU 16 2HB LEU 16 10.142 -2.625 5.985 134 HB3 LEU 16 3HB LEU 16 10.222 -0.891 6.220 135 HG LEU 16 HG LEU 16 8.119 -1.927 4.379 136 HD11 LEU 16 1HD1 LEU 16 7.853 -2.035 7.377 137 HD12 LEU 16 2HD1 LEU 16 8.110 -3.447 6.352 138 HD13 LEU 16 3HD1 LEU 16 6.643 -2.486 6.176 139 HD21 LEU 16 3HD2 LEU 16 8.424 0.480 4.768 140 HD22 LEU 16 1HD2 LEU 16 8.161 0.225 6.494 141 HD23 LEU 16 2HD2 LEU 16 6.857 -0.086 5.348 142 H THR 17 H THR 17 11.990 -3.658 3.673 143 HA THR 17 HA THR 17 10.271 -4.475 1.495 144 HB THR 17 HB THR 17 12.550 -5.981 2.810 145 HG1 THR 17 HG1 THR 17 12.522 -4.312 0.471 146 HG21 THR 17 3HG2 THR 17 11.044 -7.408 1.496 147 HG22 THR 17 1HG2 THR 17 12.618 -7.250 0.716 148 HG23 THR 17 2HG2 THR 17 11.236 -6.333 0.110 149 H LEU 18 H LEU 18 8.459 -5.606 1.773 150 HA LEU 18 HA LEU 18 7.649 -6.403 4.386 151 HB2 LEU 18 2HB LEU 18 6.345 -6.944 1.717 152 HB3 LEU 18 3HB LEU 18 5.598 -7.185 3.285 153 HG LEU 18 HG LEU 18 6.454 -4.525 2.140 154 HD11 LEU 18 1HD1 LEU 18 4.069 -4.079 1.985 155 HD12 LEU 18 2HD1 LEU 18 3.714 -5.698 2.588 156 HD13 LEU 18 3HD1 LEU 18 4.502 -5.492 1.023 157 HD21 LEU 18 3HD2 LEU 18 5.290 -3.579 4.081 158 HD22 LEU 18 1HD2 LEU 18 6.663 -4.574 4.565 159 HD23 LEU 18 2HD2 LEU 18 5.023 -5.204 4.707 160 H SER 19 H SER 19 7.477 -8.430 1.473 161 HA SER 19 HA SER 19 9.162 -10.461 2.558 162 HB2 SER 19 2HB SER 19 7.107 -10.776 3.945 163 HB3 SER 19 3HB SER 19 6.188 -11.065 2.469 164 HG SER 19 HG SER 19 7.142 -12.980 2.224 165 H GLU 20 H GLU 20 9.110 -12.430 1.172 166 HA GLU 20 HA GLU 20 8.753 -11.665 -1.616 167 HB2 GLU 20 2HB GLU 20 10.878 -12.708 -0.761 168 HB3 GLU 20 3HB GLU 20 9.969 -14.185 -0.471 169 HG2 GLU 20 2HG GLU 20 9.486 -14.375 -2.840 170 HG3 GLU 20 3HG GLU 20 10.335 -12.861 -3.147 171 H ASN 21 H ASN 21 7.469 -12.850 -3.051 172 HA ASN 21 HA ASN 21 5.445 -14.550 -1.756 173 HB2 ASN 21 2HB ASN 21 4.661 -12.350 -2.710 174 HB3 ASN 21 3HB ASN 21 5.121 -12.944 -4.301 175 HD21 ASN 21 1HD2 ASN 21 2.937 -13.374 -1.604 176 HD22 ASN 21 2HD2 ASN 21 1.746 -14.296 -2.469 177 H GLU 22 H GLU 22 4.543 -16.248 -3.103 178 HA GLU 22 HA GLU 22 6.448 -18.031 -3.951 179 HB2 GLU 22 2HB GLU 22 3.540 -17.917 -4.754 180 HB3 GLU 22 3HB GLU 22 4.581 -19.319 -4.932 181 HG2 GLU 22 2HG GLU 22 3.401 -19.776 -2.999 182 HG3 GLU 22 3HG GLU 22 4.926 -19.137 -2.395 183 H LYS 23 H LYS 23 7.067 -18.882 -5.926 184 HA LYS 23 HA LYS 23 7.626 -18.984 -8.106 185 HB2 LYS 23 2HB LYS 23 5.239 -17.222 -8.312 186 HB3 LYS 23 3HB LYS 23 6.328 -17.293 -9.689 187 HG2 LYS 23 2HG LYS 23 4.596 -18.888 -10.037 188 HG3 LYS 23 3HG LYS 23 6.081 -19.769 -9.683 189 HD2 LYS 23 2HD LYS 23 5.315 -19.963 -7.316 190 HD3 LYS 23 3HD LYS 23 3.781 -19.243 -7.807 191 HE2 LYS 23 2HE LYS 23 4.965 -21.819 -8.837 192 HE3 LYS 23 3HE LYS 23 3.599 -21.665 -7.734 193 HZ1 LYS 23 3HZ LYS 23 2.404 -20.474 -9.520 194 HZ2 LYS 23 1HZ LYS 23 2.797 -22.074 -9.935 195 HZ3 LYS 23 2HZ LYS 23 3.697 -20.790 -10.572 196 H GLY 24 H GLY 24 8.281 -16.524 -6.129 197 HA2 GLY 24 2HA GLY 24 10.331 -15.401 -6.162 198 HA3 GLY 24 3HA GLY 24 10.462 -15.735 -7.881 199 H TRP 25 H TRP 25 8.198 -13.974 -5.772 200 HA TRP 25 HA TRP 25 8.784 -11.548 -7.314 201 HB2 TRP 25 2HB TRP 25 6.076 -12.692 -6.673 202 HB3 TRP 25 3HB TRP 25 6.285 -10.956 -6.873 203 HD1 TRP 25 HD1 TRP 25 6.387 -14.228 -8.864 204 HE1 TRP 25 HE1 TRP 25 6.242 -13.657 -11.368 205 HE3 TRP 25 HE3 TRP 25 6.787 -9.140 -8.567 206 HZ2 TRP 25 HZ2 TRP 25 6.277 -11.361 -12.999 207 HZ3 TRP 25 HZ3 TRP 25 6.719 -7.830 -10.648 208 HH2 TRP 25 HH2 TRP 25 6.469 -8.919 -12.819 209 H THR 26 H THR 26 9.791 -10.272 -5.878 210 HA THR 26 HA THR 26 9.152 -10.472 -3.058 211 HB THR 26 HB THR 26 11.045 -8.489 -4.324 212 HG1 THR 26 HG1 THR 26 12.341 -10.645 -3.382 213 HG21 THR 26 3HG2 THR 26 12.214 -8.702 -2.159 214 HG22 THR 26 1HG2 THR 26 10.961 -9.815 -1.607 215 HG23 THR 26 2HG2 THR 26 10.556 -8.136 -1.960 216 H LYS 27 H LYS 27 8.083 -8.922 -1.861 217 HA LYS 27 HA LYS 27 6.993 -6.653 -3.382 218 HB2 LYS 27 2HB LYS 27 5.312 -8.447 -3.079 219 HB3 LYS 27 3HB LYS 27 5.516 -8.321 -1.340 220 HG2 LYS 27 2HG LYS 27 4.543 -6.181 -1.276 221 HG3 LYS 27 3HG LYS 27 4.652 -5.995 -3.027 222 HD2 LYS 27 2HD LYS 27 2.371 -6.469 -2.473 223 HD3 LYS 27 3HD LYS 27 3.047 -7.890 -3.263 224 HE2 LYS 27 2HE LYS 27 2.870 -7.586 -0.273 225 HE3 LYS 27 3HE LYS 27 1.604 -8.333 -1.244 226 HZ1 LYS 27 3HZ LYS 27 4.417 -9.267 -1.044 227 HZ2 LYS 27 1HZ LYS 27 3.202 -9.992 -1.978 228 HZ3 LYS 27 2HZ LYS 27 3.085 -9.979 -0.286 229 H GLU 28 H GLU 28 7.310 -4.747 -2.480 230 HA GLU 28 HA GLU 28 7.779 -4.513 0.381 231 HB2 GLU 28 2HB GLU 28 9.934 -3.355 0.031 232 HB3 GLU 28 3HB GLU 28 9.990 -5.042 -0.464 233 HG2 GLU 28 2HG GLU 28 9.764 -4.388 -2.793 234 HG3 GLU 28 3HG GLU 28 9.640 -2.695 -2.318 235 H ILE 29 H ILE 29 8.236 -2.163 0.933 236 HA ILE 29 HA ILE 29 6.719 -0.394 -0.870 237 HB ILE 29 HB ILE 29 7.140 -0.044 2.108 238 HG12 ILE 29 2HG1 ILE 29 4.687 -0.990 0.600 239 HG13 ILE 29 3HG1 ILE 29 5.734 -2.012 1.580 240 HG21 ILE 29 1HG2 ILE 29 6.816 2.038 0.841 241 HG22 ILE 29 2HG2 ILE 29 5.457 1.702 1.917 242 HG23 ILE 29 3HG2 ILE 29 5.311 1.396 0.185 243 HD11 ILE 29 3HD1 ILE 29 3.696 -1.413 2.758 244 HD12 ILE 29 1HD1 ILE 29 4.093 0.298 2.587 245 HD13 ILE 29 2HD1 ILE 29 5.120 -0.754 3.562 246 H ASN 30 H ASN 30 7.813 1.249 -1.759 247 HA ASN 30 HA ASN 30 10.453 1.923 -0.680 248 HB2 ASN 30 2HB ASN 30 11.577 1.606 -2.768 249 HB3 ASN 30 3HB ASN 30 10.716 0.122 -2.397 250 HD21 ASN 30 1HD2 ASN 30 8.108 1.205 -3.274 251 HD22 ASN 30 2HD2 ASN 30 8.180 1.253 -5.000 252 H ARG 31 H ARG 31 11.450 3.735 -2.073 253 HA ARG 31 HA ARG 31 9.336 5.672 -2.745 254 HB2 ARG 31 2HB ARG 31 12.147 6.199 -1.764 255 HB3 ARG 31 3HB ARG 31 10.963 7.431 -2.176 256 HG2 ARG 31 2HG ARG 31 9.528 6.685 -0.362 257 HG3 ARG 31 3HG ARG 31 10.684 5.415 0.042 258 HD2 ARG 31 2HD ARG 31 10.998 7.262 1.546 259 HD3 ARG 31 3HD ARG 31 12.387 7.160 0.467 260 HE ARG 31 HE ARG 31 10.458 8.952 -0.576 261 HH11 ARG 31 1HH1 ARG 31 12.960 8.659 1.858 262 HH12 ARG 31 2HH1 ARG 31 13.186 10.383 2.003 263 HH21 ARG 31 1HH2 ARG 31 10.772 11.205 -0.401 264 HH22 ARG 31 2HH2 ARG 31 11.948 11.824 0.718 265 H VAL 32 H VAL 32 9.248 6.293 -4.795 266 HA VAL 32 HA VAL 32 11.531 5.629 -6.528 267 HB VAL 32 HB VAL 32 8.641 6.031 -7.337 268 HG11 VAL 32 1HG1 VAL 32 10.231 6.591 -9.110 269 HG12 VAL 32 2HG1 VAL 32 9.339 5.121 -9.493 270 HG13 VAL 32 3HG1 VAL 32 11.003 5.015 -8.920 271 HG21 VAL 32 3HG2 VAL 32 10.229 3.486 -7.036 272 HG22 VAL 32 1HG2 VAL 32 8.596 3.609 -7.693 273 HG23 VAL 32 2HG2 VAL 32 8.900 4.015 -6.004 274 H SER 33 H SER 33 12.588 7.199 -7.521 275 HA SER 33 HA SER 33 11.639 9.946 -7.240 276 HB2 SER 33 2HB SER 33 14.306 8.871 -8.194 277 HB3 SER 33 3HB SER 33 13.927 10.567 -7.896 278 HG SER 33 HG SER 33 14.235 10.252 -5.844 279 H PHE 34 H PHE 34 11.295 11.307 -8.998 280 HA PHE 34 HA PHE 34 11.361 10.032 -11.651 281 HB2 PHE 34 2HB PHE 34 9.244 11.911 -10.576 282 HB3 PHE 34 3HB PHE 34 9.322 11.317 -12.230 283 HD1 PHE 34 HD2 PHE 34 9.033 8.862 -12.654 284 HD2 PHE 34 HD1 PHE 34 8.252 10.641 -8.864 285 HE1 PHE 34 HE2 PHE 34 7.704 6.899 -12.012 286 HE2 PHE 34 HE1 PHE 34 6.922 8.669 -8.215 287 HZ PHE 34 HZ PHE 34 6.646 6.798 -9.790 288 H ASN 35 H ASN 35 13.162 10.948 -12.436 289 HA ASN 35 HA ASN 35 14.618 12.494 -13.245 290 HB2 ASN 35 2HB ASN 35 12.010 13.960 -13.595 291 HB3 ASN 35 3HB ASN 35 13.541 14.603 -14.182 292 HD21 ASN 35 1HD2 ASN 35 14.631 13.522 -15.841 293 HD22 ASN 35 2HD2 ASN 35 13.797 12.433 -16.902 294 H GLY 36 H GLY 36 14.040 12.575 -10.325 295 HA2 GLY 36 2HA GLY 36 15.561 14.906 -9.726 296 HA3 GLY 36 3HA GLY 36 13.874 15.129 -9.286 297 H ALA 37 H ALA 37 15.521 15.315 -7.258 298 HA ALA 37 HA ALA 37 16.212 12.847 -6.043 299 HB1 ALA 37 3HB ALA 37 17.402 14.900 -5.526 300 HB2 ALA 37 1HB ALA 37 16.738 14.156 -4.071 301 HB3 ALA 37 2HB ALA 37 15.945 15.561 -4.784 302 HA PRO 38 HA PRO 38 12.206 13.916 -3.251 303 HB2 PRO 38 2HB PRO 38 10.615 14.787 -5.625 304 HB3 PRO 38 3HB PRO 38 10.481 15.287 -3.936 305 HG2 PRO 38 2HG PRO 38 11.654 16.866 -5.725 306 HG3 PRO 38 3HG PRO 38 12.295 16.721 -4.077 307 HD2 PRO 38 2HD PRO 38 13.332 15.570 -6.622 308 HD3 PRO 38 3HD PRO 38 14.218 16.125 -5.192 309 H ALA 39 H ALA 39 12.097 11.758 -3.041 310 HA ALA 39 HA ALA 39 10.825 10.189 -5.172 311 HB1 ALA 39 3HB ALA 39 12.361 9.259 -2.745 312 HB2 ALA 39 1HB ALA 39 13.003 9.379 -4.382 313 HB3 ALA 39 2HB ALA 39 11.714 8.230 -4.023 314 H LYS 40 H LYS 40 8.743 9.670 -4.920 315 HA LYS 40 HA LYS 40 7.589 10.069 -2.261 316 HB2 LYS 40 2HB LYS 40 5.400 10.126 -3.379 317 HB3 LYS 40 3HB LYS 40 6.502 11.355 -3.977 318 HG2 LYS 40 2HG LYS 40 6.988 9.758 -5.897 319 HG3 LYS 40 3HG LYS 40 5.580 8.846 -5.339 320 HD2 LYS 40 2HD LYS 40 5.607 11.756 -6.149 321 HD3 LYS 40 3HD LYS 40 4.963 10.420 -7.102 322 HE2 LYS 40 2HE LYS 40 3.200 10.051 -5.565 323 HE3 LYS 40 3HE LYS 40 3.950 11.080 -4.344 324 HZ1 LYS 40 3HZ LYS 40 2.070 12.156 -5.490 325 HZ2 LYS 40 1HZ LYS 40 2.913 12.047 -6.959 326 HZ3 LYS 40 2HZ LYS 40 3.526 13.000 -5.701 327 H PHE 41 H PHE 41 5.479 8.543 -2.070 328 HA PHE 41 HA PHE 41 6.859 6.092 -1.432 329 HB2 PHE 41 2HB PHE 41 4.001 6.818 -0.797 330 HB3 PHE 41 3HB PHE 41 5.040 5.672 0.049 331 HD1 PHE 41 HD2 PHE 41 7.135 6.636 1.191 332 HD2 PHE 41 HD1 PHE 41 3.843 9.014 -0.061 333 HE1 PHE 41 HE2 PHE 41 7.847 8.415 2.732 334 HE2 PHE 41 HE1 PHE 41 4.550 10.803 1.475 335 HZ PHE 41 HZ PHE 41 6.551 10.505 2.877 336 H ASP 42 H ASP 42 6.508 4.114 -2.266 337 HA ASP 42 HA ASP 42 4.271 3.681 -4.102 338 HB2 ASP 42 2HB ASP 42 6.015 4.465 -5.571 339 HB3 ASP 42 3HB ASP 42 7.190 3.386 -4.829 340 H ILE 43 H ILE 43 3.464 1.667 -3.982 341 HA ILE 43 HA ILE 43 5.009 -0.355 -2.483 342 HB ILE 43 HB ILE 43 2.003 -0.245 -2.855 343 HG12 ILE 43 2HG1 ILE 43 3.654 0.419 -0.404 344 HG13 ILE 43 3HG1 ILE 43 2.836 1.596 -1.425 345 HG21 ILE 43 1HG2 ILE 43 2.852 -2.503 -2.570 346 HG22 ILE 43 2HG2 ILE 43 1.980 -1.993 -1.125 347 HG23 ILE 43 3HG2 ILE 43 3.743 -2.005 -1.129 348 HD11 ILE 43 3HD1 ILE 43 0.682 0.647 -0.812 349 HD12 ILE 43 1HD1 ILE 43 1.590 1.145 0.615 350 HD13 ILE 43 2HD1 ILE 43 1.493 -0.563 0.186 351 H ARG 44 H ARG 44 5.748 -2.017 -3.695 352 HA ARG 44 HA ARG 44 4.331 -2.771 -6.133 353 HB2 ARG 44 2HB ARG 44 5.787 -0.897 -6.784 354 HB3 ARG 44 3HB ARG 44 7.176 -1.749 -6.135 355 HG2 ARG 44 2HG ARG 44 6.662 -3.582 -7.805 356 HG3 ARG 44 3HG ARG 44 5.544 -2.438 -8.555 357 HD2 ARG 44 2HD ARG 44 7.696 -2.350 -9.668 358 HD3 ARG 44 3HD ARG 44 7.391 -0.834 -8.819 359 HE ARG 44 HE ARG 44 9.266 -2.938 -7.965 360 HH11 ARG 44 1HH1 ARG 44 8.109 0.366 -7.791 361 HH12 ARG 44 2HH1 ARG 44 9.415 0.893 -6.773 362 HH21 ARG 44 1HH2 ARG 44 10.981 -2.234 -6.624 363 HH22 ARG 44 2HH2 ARG 44 11.039 -0.574 -6.115 364 H ALA 45 H ALA 45 4.853 -4.788 -6.916 365 HA ALA 45 HA ALA 45 6.803 -6.367 -5.377 366 HB1 ALA 45 3HB ALA 45 4.524 -7.242 -5.231 367 HB2 ALA 45 1HB ALA 45 5.567 -8.352 -6.120 368 HB3 ALA 45 2HB ALA 45 4.433 -7.319 -6.991 369 H TRP 46 H TRP 46 8.506 -7.264 -6.453 370 HA TRP 46 HA TRP 46 8.565 -7.382 -9.337 371 HB2 TRP 46 2HB TRP 46 10.417 -5.817 -9.634 372 HB3 TRP 46 3HB TRP 46 9.036 -4.991 -8.923 373 HD1 TRP 46 HD1 TRP 46 9.239 -4.579 -6.143 374 HE1 TRP 46 HE1 TRP 46 11.339 -3.975 -4.763 375 HE3 TRP 46 HE3 TRP 46 12.843 -6.047 -9.467 376 HZ2 TRP 46 HZ2 TRP 46 14.131 -4.113 -5.059 377 HZ3 TRP 46 HZ3 TRP 46 15.203 -5.781 -8.836 378 HH2 TRP 46 HH2 TRP 46 15.835 -4.831 -6.677 379 H SER 47 H SER 47 10.398 -8.487 -10.158 380 HA SER 47 HA SER 47 12.665 -9.170 -8.691 381 HB2 SER 47 2HB SER 47 11.050 -10.580 -7.405 382 HB3 SER 47 3HB SER 47 10.713 -11.479 -8.882 383 HG SER 47 HG SER 47 13.339 -11.186 -7.852 384 HA PRO 48 HA PRO 48 12.701 -11.455 -12.942 385 HB2 PRO 48 2HB PRO 48 9.974 -11.205 -14.006 386 HB3 PRO 48 3HB PRO 48 11.007 -12.633 -13.901 387 HG2 PRO 48 2HG PRO 48 8.836 -12.355 -12.349 388 HG3 PRO 48 3HG PRO 48 10.312 -13.138 -11.752 389 HD2 PRO 48 2HD PRO 48 9.340 -10.333 -11.297 390 HD3 PRO 48 3HD PRO 48 10.014 -11.492 -10.126 391 H ASP 49 H ASP 49 12.957 -10.534 -15.083 392 HA ASP 49 HA ASP 49 12.283 -7.655 -15.154 393 HB2 ASP 49 2HB ASP 49 14.837 -8.724 -16.325 394 HB3 ASP 49 3HB ASP 49 14.438 -7.072 -15.881 395 H HIS 50 H HIS 50 12.594 -10.647 -16.873 396 HA HIS 50 HA HIS 50 13.152 -9.870 -19.451 397 HB2 HIS 50 2HB HIS 50 13.024 -12.219 -18.598 398 HB3 HIS 50 3HB HIS 50 11.271 -12.119 -18.716 399 HD1 HIS 50 HD1 HIS 50 10.309 -12.896 -20.887 400 HD2 HIS 50 HD2 HIS 50 14.303 -11.795 -21.246 401 HE1 HIS 50 HE1 HIS 50 10.954 -13.442 -23.251 402 HE2 HIS 50 HE2 HIS 50 13.330 -12.637 -23.485 403 H THR 51 H THR 51 9.838 -10.950 -18.751 404 HA THR 51 HA THR 51 8.749 -8.506 -19.851 405 HB THR 51 HB THR 51 8.113 -11.119 -21.235 406 HG1 THR 51 HG1 THR 51 10.173 -9.360 -21.604 407 HG21 THR 51 3HG2 THR 51 7.402 -8.257 -21.902 408 HG22 THR 51 1HG2 THR 51 6.298 -9.476 -21.268 409 HG23 THR 51 2HG2 THR 51 6.998 -9.672 -22.875 410 H LYS 52 H LYS 52 8.035 -8.510 -17.656 411 HA LYS 52 HA LYS 52 5.335 -9.238 -17.450 412 HB2 LYS 52 2HB LYS 52 5.513 -10.764 -15.460 413 HB3 LYS 52 3HB LYS 52 6.002 -11.480 -16.988 414 HG2 LYS 52 2HG LYS 52 8.366 -11.065 -16.365 415 HG3 LYS 52 3HG LYS 52 7.807 -10.491 -14.793 416 HD2 LYS 52 2HD LYS 52 8.472 -12.794 -14.585 417 HD3 LYS 52 3HD LYS 52 6.716 -12.692 -14.438 418 HE2 LYS 52 2HE LYS 52 6.504 -13.333 -16.804 419 HE3 LYS 52 3HE LYS 52 8.257 -13.485 -16.910 420 HZ1 LYS 52 3HZ LYS 52 6.427 -15.110 -15.228 421 HZ2 LYS 52 1HZ LYS 52 8.122 -15.204 -15.157 422 HZ3 LYS 52 2HZ LYS 52 7.305 -15.637 -16.576 423 H MET 53 H MET 53 4.765 -7.340 -16.700 424 HA MET 53 HA MET 53 6.417 -6.061 -14.644 425 HB2 MET 53 2HB MET 53 4.281 -4.932 -16.463 426 HB3 MET 53 3HB MET 53 5.144 -4.003 -15.243 427 HG2 MET 53 2HG MET 53 7.243 -4.400 -16.386 428 HG3 MET 53 3HG MET 53 6.424 -5.403 -17.580 429 HE1 MET 53 3HE MET 53 4.148 -2.783 -19.400 430 HE2 MET 53 1HE MET 53 3.721 -3.787 -18.015 431 HE3 MET 53 2HE MET 53 4.665 -4.469 -19.339 432 H GLY 54 H GLY 54 5.809 -6.561 -12.672 433 HA2 GLY 54 2HA GLY 54 3.208 -7.444 -11.964 434 HA3 GLY 54 3HA GLY 54 4.503 -7.032 -10.848 435 H LYS 55 H LYS 55 1.732 -6.459 -10.514 436 HA LYS 55 HA LYS 55 1.218 -3.737 -11.165 437 HB2 LYS 55 2HB LYS 55 -0.111 -5.649 -9.254 438 HB3 LYS 55 3HB LYS 55 -0.665 -4.000 -9.496 439 HG2 LYS 55 2HG LYS 55 -1.030 -4.492 -11.877 440 HG3 LYS 55 3HG LYS 55 -0.536 -6.162 -11.585 441 HD2 LYS 55 2HD LYS 55 -2.374 -6.440 -10.006 442 HD3 LYS 55 3HD LYS 55 -2.861 -4.763 -10.268 443 HE2 LYS 55 2HE LYS 55 -4.243 -6.329 -11.553 444 HE3 LYS 55 3HE LYS 55 -3.338 -5.236 -12.596 445 HZ1 LYS 55 3HZ LYS 55 -3.375 -7.644 -13.273 446 HZ2 LYS 55 1HZ LYS 55 -2.381 -7.960 -11.939 447 HZ3 LYS 55 2HZ LYS 55 -1.839 -6.931 -13.174 448 H GLY 56 H GLY 56 1.723 -1.964 -10.131 449 HA2 GLY 56 2HA GLY 56 2.384 -2.053 -7.276 450 HA3 GLY 56 3HA GLY 56 3.521 -1.301 -8.392 451 H ILE 57 H ILE 57 2.022 -0.048 -6.203 452 HA ILE 57 HA ILE 57 0.547 1.910 -7.818 453 HB ILE 57 HB ILE 57 -1.108 0.517 -6.696 454 HG12 ILE 57 2HG1 ILE 57 -0.928 3.227 -5.366 455 HG13 ILE 57 3HG1 ILE 57 -1.511 2.958 -7.004 456 HG21 ILE 57 1HG2 ILE 57 0.271 1.336 -4.148 457 HG22 ILE 57 2HG2 ILE 57 0.166 -0.291 -4.821 458 HG23 ILE 57 3HG2 ILE 57 -1.288 0.519 -4.233 459 HD11 ILE 57 3HD1 ILE 57 -3.355 3.221 -5.460 460 HD12 ILE 57 1HD1 ILE 57 -2.753 1.882 -4.483 461 HD13 ILE 57 2HD1 ILE 57 -3.334 1.587 -6.124 462 H THR 58 H THR 58 1.168 3.914 -7.533 463 HA THR 58 HA THR 58 3.082 4.511 -5.412 464 HB THR 58 HB THR 58 2.333 6.203 -7.808 465 HG1 THR 58 HG1 THR 58 4.128 4.041 -7.486 466 HG21 THR 58 3HG2 THR 58 3.450 7.434 -6.013 467 HG22 THR 58 1HG2 THR 58 4.519 7.259 -7.403 468 HG23 THR 58 2HG2 THR 58 4.745 6.238 -5.983 469 H LEU 59 H LEU 59 2.655 5.893 -3.792 470 HA LEU 59 HA LEU 59 -0.000 7.171 -3.771 471 HB2 LEU 59 2HB LEU 59 1.648 6.191 -1.436 472 HB3 LEU 59 3HB LEU 59 0.130 7.053 -1.300 473 HG LEU 59 HG LEU 59 -0.821 5.063 -2.707 474 HD11 LEU 59 1HD1 LEU 59 1.619 3.785 -1.484 475 HD12 LEU 59 2HD1 LEU 59 1.350 4.045 -3.207 476 HD13 LEU 59 3HD1 LEU 59 0.303 2.948 -2.306 477 HD21 LEU 59 3HD2 LEU 59 -1.465 5.600 -0.423 478 HD22 LEU 59 1HD2 LEU 59 -0.039 4.763 0.188 479 HD23 LEU 59 2HD2 LEU 59 -1.306 3.857 -0.639 480 H SER 60 H SER 60 -0.155 9.293 -3.037 481 HA SER 60 HA SER 60 2.319 10.792 -3.167 482 HB2 SER 60 2HB SER 60 -0.486 11.835 -2.715 483 HB3 SER 60 3HB SER 60 0.928 12.762 -3.223 484 HG SER 60 HG SER 60 -0.792 11.257 -4.703 485 H ASN 61 H ASN 61 2.535 12.618 -1.508 486 HA ASN 61 HA ASN 61 3.152 11.459 0.936 487 HB2 ASN 61 2HB ASN 61 3.549 13.744 1.761 488 HB3 ASN 61 3HB ASN 61 4.246 13.486 0.167 489 HD21 ASN 61 1HD2 ASN 61 3.495 15.950 1.531 490 HD22 ASN 61 2HD2 ASN 61 2.370 16.753 0.488 491 H GLU 62 H GLU 62 0.260 13.306 0.043 492 HA GLU 62 HA GLU 62 -0.796 13.570 2.627 493 HB2 GLU 62 2HB GLU 62 -1.673 14.910 0.821 494 HB3 GLU 62 3HB GLU 62 -2.204 13.471 -0.044 495 HG2 GLU 62 2HG GLU 62 -3.843 13.003 1.657 496 HG3 GLU 62 3HG GLU 62 -3.263 14.349 2.634 497 H GLU 63 H GLU 63 -1.704 11.204 0.102 498 HA GLU 63 HA GLU 63 -3.547 9.811 1.682 499 HB2 GLU 63 2HB GLU 63 -1.905 8.613 -0.545 500 HB3 GLU 63 3HB GLU 63 -3.472 8.065 0.032 501 HG2 GLU 63 2HG GLU 63 -4.160 9.196 -1.786 502 HG3 GLU 63 3HG GLU 63 -4.150 10.533 -0.637 503 H PHE 64 H PHE 64 -0.101 9.231 1.155 504 HA PHE 64 HA PHE 64 -0.020 6.722 2.452 505 HB2 PHE 64 2HB PHE 64 1.708 7.790 0.875 506 HB3 PHE 64 3HB PHE 64 2.303 8.627 2.305 507 HD1 PHE 64 HD1 PHE 64 1.845 5.349 0.715 508 HD2 PHE 64 HD2 PHE 64 3.576 7.487 3.962 509 HE1 PHE 64 HE1 PHE 64 3.222 3.389 1.264 510 HE2 PHE 64 HE2 PHE 64 4.956 5.528 4.517 511 HZ PHE 64 HZ PHE 64 4.782 3.475 3.165 512 H GLN 65 H GLN 65 0.713 10.009 3.588 513 HA GLN 65 HA GLN 65 1.327 9.321 6.247 514 HB2 GLN 65 2HB GLN 65 1.893 11.507 5.449 515 HB3 GLN 65 3HB GLN 65 0.226 11.856 5.017 516 HG2 GLN 65 2HG GLN 65 0.920 13.031 7.040 517 HG3 GLN 65 3HG GLN 65 -0.406 11.912 7.346 518 HE21 GLN 65 1HE2 GLN 65 2.921 10.922 6.928 519 HE22 GLN 65 2HE2 GLN 65 3.164 10.396 8.554 520 H THR 66 H THR 66 -1.713 10.218 4.670 521 HA THR 66 HA THR 66 -3.372 10.308 6.911 522 HB THR 66 HB THR 66 -4.059 9.549 4.065 523 HG1 THR 66 HG1 THR 66 -3.319 11.619 4.060 524 HG21 THR 66 3HG2 THR 66 -5.870 10.395 6.334 525 HG22 THR 66 1HG2 THR 66 -5.825 8.807 5.563 526 HG23 THR 66 2HG2 THR 66 -6.360 10.218 4.649 527 H MET 67 H MET 67 -2.666 7.563 4.735 528 HA MET 67 HA MET 67 -4.396 5.747 6.005 529 HB2 MET 67 2HB MET 67 -3.424 4.056 4.713 530 HB3 MET 67 3HB MET 67 -3.183 5.495 3.736 531 HG2 MET 67 2HG MET 67 -0.896 5.621 4.316 532 HG3 MET 67 3HG MET 67 -1.083 4.422 5.593 533 HE1 MET 67 3HE MET 67 1.128 2.308 3.332 534 HE2 MET 67 1HE MET 67 0.773 2.868 4.968 535 HE3 MET 67 2HE MET 67 1.309 4.014 3.738 536 H VAL 68 H VAL 68 -1.077 6.681 6.662 537 HA VAL 68 HA VAL 68 -0.459 4.568 8.419 538 HB VAL 68 HB VAL 68 0.745 7.286 7.996 539 HG11 VAL 68 1HG1 VAL 68 1.719 5.176 9.929 540 HG12 VAL 68 2HG1 VAL 68 1.077 6.761 10.363 541 HG13 VAL 68 3HG1 VAL 68 2.592 6.640 9.470 542 HG21 VAL 68 3HG2 VAL 68 1.215 5.793 6.241 543 HG22 VAL 68 1HG2 VAL 68 1.502 4.454 7.354 544 HG23 VAL 68 2HG2 VAL 68 2.650 5.784 7.264 545 H ASP 69 H ASP 69 -1.779 7.817 9.017 546 HA ASP 69 HA ASP 69 -1.788 7.682 11.822 547 HB2 ASP 69 2HB ASP 69 -2.315 9.745 10.563 548 HB3 ASP 69 3HB ASP 69 -3.833 9.027 10.036 549 H ALA 70 H ALA 70 -4.288 6.781 9.484 550 HA ALA 70 HA ALA 70 -6.143 5.808 11.344 551 HB1 ALA 70 3HB ALA 70 -7.219 4.739 9.461 552 HB2 ALA 70 1HB ALA 70 -5.766 4.945 8.485 553 HB3 ALA 70 2HB ALA 70 -6.680 6.356 9.014 554 H PHE 71 H PHE 71 -3.491 4.193 9.643 555 HA PHE 71 HA PHE 71 -4.195 1.597 10.591 556 HB2 PHE 71 2HB PHE 71 -1.709 2.648 9.249 557 HB3 PHE 71 3HB PHE 71 -1.874 0.971 9.760 558 HD1 PHE 71 HD2 PHE 71 -4.873 0.794 9.131 559 HD2 PHE 71 HD1 PHE 71 -1.523 2.202 6.912 560 HE1 PHE 71 HE2 PHE 71 -6.043 0.266 7.036 561 HE2 PHE 71 HE1 PHE 71 -2.692 1.678 4.813 562 HZ PHE 71 HZ PHE 71 -4.952 0.707 4.879 563 H LYS 72 H LYS 72 -2.168 4.162 11.886 564 HA LYS 72 HA LYS 72 -1.215 2.355 13.944 565 HB2 LYS 72 2HB LYS 72 -0.085 4.263 14.941 566 HB3 LYS 72 3HB LYS 72 0.292 4.135 13.236 567 HG2 LYS 72 2HG LYS 72 -1.097 6.007 12.716 568 HG3 LYS 72 3HG LYS 72 -1.741 6.050 14.361 569 HD2 LYS 72 2HD LYS 72 0.481 6.578 15.228 570 HD3 LYS 72 3HD LYS 72 1.148 6.498 13.598 571 HE2 LYS 72 2HE LYS 72 -1.115 8.355 14.131 572 HE3 LYS 72 3HE LYS 72 0.491 8.794 14.710 573 HZ1 LYS 72 3HZ LYS 72 1.343 8.786 12.530 574 HZ2 LYS 72 1HZ LYS 72 -0.123 9.635 12.442 575 HZ3 LYS 72 2HZ LYS 72 -0.040 8.033 11.896 576 H GLY 73 H GLY 73 -4.022 3.958 13.295 577 HA2 GLY 73 2HA GLY 73 -4.813 4.189 16.097 578 HA3 GLY 73 3HA GLY 73 -5.774 4.649 14.701 579 H ASN 74 H ASN 74 -4.841 1.775 13.670 580 HA ASN 74 HA ASN 74 -6.611 0.158 15.341 581 HB2 ASN 74 2HB ASN 74 -8.072 -0.528 13.607 582 HB3 ASN 74 3HB ASN 74 -7.985 1.223 13.477 583 HD21 ASN 74 1HD2 ASN 74 -8.688 -0.845 11.497 584 HD22 ASN 74 2HD2 ASN 74 -7.608 -0.586 10.168 585 H LEU 75 H LEU 75 -6.781 -2.115 13.952 586 HA LEU 75 HA LEU 75 -5.783 -3.975 13.178 587 HB2 LEU 75 2HB LEU 75 -4.962 -2.505 11.355 588 HB3 LEU 75 3HB LEU 75 -3.505 -2.208 12.288 589 HG LEU 75 HG LEU 75 -3.017 -4.652 12.207 590 HD11 LEU 75 1HD1 LEU 75 -4.209 -6.030 10.592 591 HD12 LEU 75 2HD1 LEU 75 -5.322 -4.700 10.268 592 HD13 LEU 75 3HD1 LEU 75 -5.290 -5.457 11.861 593 HD21 LEU 75 3HD2 LEU 75 -1.948 -3.154 10.647 594 HD22 LEU 75 1HD2 LEU 75 -3.335 -3.256 9.560 595 HD23 LEU 75 2HD2 LEU 75 -2.337 -4.681 9.852 596 H GLU 76 H GLU 76 -3.050 -2.005 14.402 597 HA GLU 76 HA GLU 76 -1.969 -4.283 15.774 598 HB2 GLU 76 2HB GLU 76 -0.473 -2.561 14.874 599 HB3 GLU 76 3HB GLU 76 -1.194 -1.360 15.937 600 HG2 GLU 76 2HG GLU 76 1.028 -2.293 16.659 601 HG3 GLU 76 3HG GLU 76 -0.259 -2.350 17.859 602 H HIS 77 H HIS 77 -3.809 -4.840 16.949 603 HA HIS 77 HA HIS 77 -4.010 -3.451 19.521 604 HB2 HIS 77 2HB HIS 77 -5.873 -2.751 17.913 605 HB3 HIS 77 3HB HIS 77 -6.438 -4.412 17.984 606 HD1 HIS 77 HD1 HIS 77 -6.242 -1.262 19.995 607 HD2 HIS 77 HD2 HIS 77 -7.812 -5.102 20.318 608 HE1 HIS 77 HE1 HIS 77 -7.773 -1.205 21.990 609 HE2 HIS 77 HE2 HIS 77 -8.895 -3.465 22.003 610 H HIS 78 H HIS 78 -2.845 -5.981 18.285 611 HA HIS 78 HA HIS 78 -4.458 -8.116 19.372 612 HB2 HIS 78 2HB HIS 78 -2.717 -9.633 18.560 613 HB3 HIS 78 3HB HIS 78 -3.208 -8.508 17.304 614 HD1 HIS 78 HD1 HIS 78 -0.405 -8.773 19.880 615 HD2 HIS 78 HD2 HIS 78 -1.110 -7.421 16.017 616 HE1 HIS 78 HE1 HIS 78 1.822 -7.979 19.026 617 HE2 HIS 78 HE2 HIS 78 1.298 -6.914 16.806 618 H HIS 79 H HIS 79 -3.114 -5.958 21.035 619 HA HIS 79 HA HIS 79 -1.343 -7.194 22.841 620 HB2 HIS 79 2HB HIS 79 -1.902 -4.712 22.635 621 HB3 HIS 79 3HB HIS 79 -3.380 -5.063 23.522 622 HD1 HIS 79 HD1 HIS 79 0.316 -4.779 23.933 623 HD2 HIS 79 HD2 HIS 79 -3.043 -5.507 26.271 624 HE1 HIS 79 HE1 HIS 79 1.081 -4.522 26.317 625 HE2 HIS 79 HE2 HIS 79 -0.997 -4.831 27.712 626 H HIS 80 H HIS 80 -4.763 -7.328 22.362 627 HA HIS 80 HA HIS 80 -5.085 -9.023 24.745 628 HB2 HIS 80 2HB HIS 80 -7.133 -7.650 22.985 629 HB3 HIS 80 3HB HIS 80 -7.551 -8.813 24.236 630 HD1 HIS 80 HD1 HIS 80 -8.348 -7.704 26.257 631 HD2 HIS 80 HD2 HIS 80 -5.447 -5.447 24.309 632 HE1 HIS 80 HE1 HIS 80 -8.089 -5.608 27.622 633 HE2 HIS 80 HE2 HIS 80 -6.479 -4.171 26.314 634 H HIS 81 H HIS 81 -4.286 -10.973 24.020 635 HA HIS 81 HA HIS 81 -5.238 -12.012 21.474 636 HB2 HIS 81 2HB HIS 81 -2.891 -12.435 22.147 637 HB3 HIS 81 3HB HIS 81 -3.467 -13.345 23.541 638 HD1 HIS 81 HD1 HIS 81 -2.766 -13.655 19.926 639 HD2 HIS 81 HD2 HIS 81 -4.738 -15.835 22.870 640 HE1 HIS 81 HE1 HIS 81 -3.131 -15.945 18.952 641 HE2 HIS 81 HE2 HIS 81 -4.530 -17.156 20.663 642 H HIS 82 H HIS 82 -7.000 -13.170 21.276 643 HA HIS 82 HA HIS 82 -8.407 -13.967 23.716 644 HB2 HIS 82 2HB HIS 82 -9.417 -13.882 20.866 645 HB3 HIS 82 3HB HIS 82 -10.387 -14.157 22.307 646 HD1 HIS 82 HD1 HIS 82 -11.271 -12.129 23.510 647 HD2 HIS 82 HD2 HIS 82 -8.405 -11.190 20.645 648 HE1 HIS 82 HE1 HIS 82 -11.264 -9.618 23.350 649 HE2 HIS 82 HE2 HIS 82 -9.659 -9.091 21.480 650 H1 MET 1 1H MET 1 -2.045 -27.718 -16.059 651 H2 MET 1 2H MET 1 -1.502 -27.039 -14.608 652 H3 MET 1 3H MET 1 -2.738 -26.282 -15.485 653 HA MET 1 HA MET 1 -4.196 -28.155 -15.109 654 HB2 MET 1 2HB MET 1 -2.375 -29.842 -14.901 655 HB3 MET 1 3HB MET 1 -1.985 -29.181 -13.319 656 HG2 MET 1 2HG MET 1 -3.326 -31.192 -13.127 657 HG3 MET 1 3HG MET 1 -4.190 -29.789 -12.502 658 HE1 MET 1 3HE MET 1 -5.678 -32.516 -13.134 659 HE2 MET 1 1HE MET 1 -7.116 -31.912 -13.952 660 HE3 MET 1 2HE MET 1 -6.482 -31.063 -12.544 661 H LYS 2 H LYS 2 -1.991 -26.515 -12.861 662 HA LYS 2 HA LYS 2 -3.924 -26.358 -10.761 663 HB2 LYS 2 2HB LYS 2 -1.420 -24.737 -11.247 664 HB3 LYS 2 3HB LYS 2 -2.382 -24.671 -9.777 665 HG2 LYS 2 2HG LYS 2 -1.931 -27.100 -9.453 666 HG3 LYS 2 3HG LYS 2 -0.833 -27.028 -10.834 667 HD2 LYS 2 2HD LYS 2 0.477 -25.294 -9.668 668 HD3 LYS 2 3HD LYS 2 -0.594 -25.447 -8.275 669 HE2 LYS 2 2HE LYS 2 1.354 -26.736 -7.819 670 HE3 LYS 2 3HE LYS 2 0.044 -27.865 -8.162 671 HZ1 LYS 2 3HZ LYS 2 2.135 -28.475 -9.251 672 HZ2 LYS 2 1HZ LYS 2 2.119 -27.022 -10.120 673 HZ3 LYS 2 2HZ LYS 2 0.906 -28.179 -10.375 674 H LYS 3 H LYS 3 -5.673 -25.147 -10.750 675 HA LYS 3 HA LYS 3 -5.901 -22.969 -12.690 676 HB2 LYS 3 2HB LYS 3 -8.055 -24.239 -10.988 677 HB3 LYS 3 3HB LYS 3 -8.301 -23.102 -12.308 678 HG2 LYS 3 2HG LYS 3 -7.341 -24.765 -13.868 679 HG3 LYS 3 3HG LYS 3 -7.221 -25.908 -12.526 680 HD2 LYS 3 2HD LYS 3 -9.660 -25.737 -12.205 681 HD3 LYS 3 3HD LYS 3 -9.751 -24.662 -13.602 682 HE2 LYS 3 2HE LYS 3 -8.727 -26.493 -14.969 683 HE3 LYS 3 3HE LYS 3 -8.881 -27.550 -13.567 684 HZ1 LYS 3 3HZ LYS 3 -10.737 -27.876 -15.029 685 HZ2 LYS 3 1HZ LYS 3 -11.094 -26.217 -15.024 686 HZ3 LYS 3 2HZ LYS 3 -11.290 -27.129 -13.608 687 H MET 4 H MET 4 -6.553 -20.888 -12.107 688 HA MET 4 HA MET 4 -5.785 -20.133 -9.407 689 HB2 MET 4 2HB MET 4 -4.976 -18.825 -11.340 690 HB3 MET 4 3HB MET 4 -6.635 -18.413 -11.747 691 HG2 MET 4 2HG MET 4 -6.877 -17.179 -9.686 692 HG3 MET 4 3HG MET 4 -5.263 -17.667 -9.174 693 HE1 MET 4 3HE MET 4 -3.032 -16.871 -10.360 694 HE2 MET 4 1HE MET 4 -2.990 -15.796 -11.757 695 HE3 MET 4 2HE MET 4 -3.633 -17.430 -11.921 696 H ALA 5 H ALA 5 -7.182 -19.833 -7.809 697 HA ALA 5 HA ALA 5 -10.017 -20.110 -8.333 698 HB1 ALA 5 3HB ALA 5 -8.544 -19.818 -5.720 699 HB2 ALA 5 1HB ALA 5 -8.980 -21.341 -6.493 700 HB3 ALA 5 2HB ALA 5 -10.242 -20.253 -5.914 701 H GLU 6 H GLU 6 -9.259 -17.810 -9.463 702 HA GLU 6 HA GLU 6 -10.374 -15.767 -7.656 703 HB2 GLU 6 2HB GLU 6 -7.956 -15.500 -8.593 704 HB3 GLU 6 3HB GLU 6 -8.754 -15.121 -10.112 705 HG2 GLU 6 2HG GLU 6 -9.191 -13.643 -7.526 706 HG3 GLU 6 3HG GLU 6 -8.102 -13.129 -8.811 707 H PHE 7 H PHE 7 -12.413 -15.352 -8.150 708 HA PHE 7 HA PHE 7 -13.280 -15.356 -10.944 709 HB2 PHE 7 2HB PHE 7 -14.613 -16.942 -8.734 710 HB3 PHE 7 3HB PHE 7 -15.347 -16.626 -10.301 711 HD1 PHE 7 HD2 PHE 7 -14.382 -17.632 -12.341 712 HD2 PHE 7 HD1 PHE 7 -12.964 -18.624 -8.452 713 HE1 PHE 7 HE2 PHE 7 -13.312 -19.651 -13.252 714 HE2 PHE 7 HE1 PHE 7 -11.884 -20.641 -9.355 715 HZ PHE 7 HZ PHE 7 -12.060 -21.158 -11.753 716 H THR 8 H THR 8 -14.642 -15.079 -7.671 717 HA THR 8 HA THR 8 -15.590 -12.400 -8.395 718 HB THR 8 HB THR 8 -17.503 -13.925 -8.413 719 HG1 THR 8 HG1 THR 8 -17.491 -11.698 -7.308 720 HG21 THR 8 3HG2 THR 8 -16.633 -15.639 -6.886 721 HG22 THR 8 1HG2 THR 8 -18.239 -15.091 -6.400 722 HG23 THR 8 2HG2 THR 8 -16.813 -14.522 -5.534 723 H PHE 9 H PHE 9 -15.396 -10.845 -6.828 724 HA PHE 9 HA PHE 9 -14.086 -11.666 -4.324 725 HB2 PHE 9 2HB PHE 9 -12.594 -9.783 -4.441 726 HB3 PHE 9 3HB PHE 9 -12.471 -10.654 -5.961 727 HD1 PHE 9 HD1 PHE 9 -13.530 -9.713 -8.004 728 HD2 PHE 9 HD2 PHE 9 -13.330 -7.537 -4.356 729 HE1 PHE 9 HE1 PHE 9 -13.981 -7.627 -9.229 730 HE2 PHE 9 HE2 PHE 9 -13.782 -5.446 -5.572 731 HZ PHE 9 HZ PHE 9 -14.108 -5.489 -8.011 732 H GLU 10 H GLU 10 -14.648 -10.480 -2.486 733 HA GLU 10 HA GLU 10 -16.741 -8.454 -2.874 734 HB2 GLU 10 2HB GLU 10 -17.763 -10.620 -2.236 735 HB3 GLU 10 3HB GLU 10 -16.786 -10.629 -0.776 736 HG2 GLU 10 2HG GLU 10 -17.920 -8.771 0.117 737 HG3 GLU 10 3HG GLU 10 -18.703 -8.416 -1.422 738 H ILE 11 H ILE 11 -16.741 -6.765 -1.453 739 HA ILE 11 HA ILE 11 -14.276 -6.287 -0.055 740 HB ILE 11 HB ILE 11 -16.769 -4.578 -0.169 741 HG12 ILE 11 2HG1 ILE 11 -14.234 -4.431 -1.823 742 HG13 ILE 11 3HG1 ILE 11 -15.787 -5.028 -2.399 743 HG21 ILE 11 1HG2 ILE 11 -15.264 -2.747 0.489 744 HG22 ILE 11 2HG2 ILE 11 -13.940 -3.901 0.646 745 HG23 ILE 11 3HG2 ILE 11 -15.338 -4.012 1.716 746 HD11 ILE 11 3HD1 ILE 11 -15.410 -2.769 -3.161 747 HD12 ILE 11 1HD1 ILE 11 -15.175 -2.219 -1.501 748 HD13 ILE 11 2HD1 ILE 11 -16.756 -2.803 -2.022 749 H GLU 12 H GLU 12 -14.028 -7.394 1.767 750 HA GLU 12 HA GLU 12 -16.140 -8.068 3.559 751 HB2 GLU 12 2HB GLU 12 -13.137 -8.113 3.869 752 HB3 GLU 12 3HB GLU 12 -14.253 -8.744 5.069 753 HG2 GLU 12 2HG GLU 12 -14.171 -9.722 2.234 754 HG3 GLU 12 3HG GLU 12 -13.205 -10.426 3.527 755 H GLU 13 H GLU 13 -13.623 -5.612 3.483 756 HA GLU 13 HA GLU 13 -14.982 -4.122 5.589 757 HB2 GLU 13 2HB GLU 13 -13.223 -5.766 6.546 758 HB3 GLU 13 3HB GLU 13 -12.033 -4.686 5.833 759 HG2 GLU 13 2HG GLU 13 -12.214 -4.020 8.061 760 HG3 GLU 13 3HG GLU 13 -13.148 -2.828 7.154 761 H HIS 14 H HIS 14 -15.230 -2.202 4.603 762 HA HIS 14 HA HIS 14 -13.305 -1.082 2.813 763 HB2 HIS 14 2HB HIS 14 -15.749 -0.507 2.799 764 HB3 HIS 14 3HB HIS 14 -15.523 0.333 4.326 765 HD1 HIS 14 HD1 HIS 14 -15.591 0.914 0.773 766 HD2 HIS 14 HD2 HIS 14 -13.569 2.577 4.017 767 HE1 HIS 14 HE1 HIS 14 -14.757 3.153 -0.014 768 HE2 HIS 14 HE2 HIS 14 -13.636 4.189 1.989 769 H LEU 15 H LEU 15 -11.314 -0.776 3.655 770 HA LEU 15 HA LEU 15 -10.940 -0.111 6.407 771 HB2 LEU 15 2HB LEU 15 -8.988 -0.328 4.123 772 HB3 LEU 15 3HB LEU 15 -8.517 -0.009 5.781 773 HG LEU 15 HG LEU 15 -9.952 -2.502 4.852 774 HD11 LEU 15 1HD1 LEU 15 -7.805 -3.619 5.225 775 HD12 LEU 15 2HD1 LEU 15 -7.055 -2.060 5.563 776 HD13 LEU 15 3HD1 LEU 15 -7.696 -2.402 3.955 777 HD21 LEU 15 3HD2 LEU 15 -10.413 -1.908 7.182 778 HD22 LEU 15 1HD2 LEU 15 -8.680 -1.814 7.501 779 HD23 LEU 15 2HD2 LEU 15 -9.415 -3.358 7.068 780 H LEU 16 H LEU 16 -9.942 1.611 3.420 781 HA LEU 16 HA LEU 16 -10.376 4.141 4.822 782 HB2 LEU 16 2HB LEU 16 -7.735 3.257 3.670 783 HB3 LEU 16 3HB LEU 16 -8.112 4.931 4.021 784 HG LEU 16 HG LEU 16 -8.004 2.703 6.053 785 HD11 LEU 16 1HD1 LEU 16 -6.133 5.001 5.499 786 HD12 LEU 16 2HD1 LEU 16 -5.800 3.289 5.221 787 HD13 LEU 16 3HD1 LEU 16 -6.016 3.891 6.865 788 HD21 LEU 16 3HD2 LEU 16 -8.435 5.666 6.376 789 HD22 LEU 16 1HD2 LEU 16 -8.248 4.502 7.688 790 HD23 LEU 16 2HD2 LEU 16 -9.647 4.410 6.618 791 H THR 17 H THR 17 -10.962 5.795 3.530 792 HA THR 17 HA THR 17 -10.695 5.477 0.620 793 HB THR 17 HB THR 17 -12.292 7.583 2.095 794 HG1 THR 17 HG1 THR 17 -14.093 6.257 1.777 795 HG21 THR 17 3HG2 THR 17 -13.456 7.800 -0.063 796 HG22 THR 17 1HG2 THR 17 -12.380 6.589 -0.759 797 HG23 THR 17 2HG2 THR 17 -11.732 8.137 -0.215 798 H LEU 18 H LEU 18 -8.726 6.266 0.021 799 HA LEU 18 HA LEU 18 -7.401 8.119 1.787 800 HB2 LEU 18 2HB LEU 18 -6.460 6.759 -0.729 801 HB3 LEU 18 3HB LEU 18 -5.462 7.821 0.246 802 HG LEU 18 HG LEU 18 -6.622 5.167 1.088 803 HD11 LEU 18 1HD1 LEU 18 -3.780 6.074 0.648 804 HD12 LEU 18 2HD1 LEU 18 -4.706 5.014 -0.416 805 HD13 LEU 18 3HD1 LEU 18 -4.285 4.481 1.212 806 HD21 LEU 18 3HD2 LEU 18 -6.637 6.721 2.963 807 HD22 LEU 18 1HD2 LEU 18 -4.946 7.121 2.664 808 HD23 LEU 18 2HD2 LEU 18 -5.388 5.493 3.181 809 H SER 19 H SER 19 -8.183 8.167 -1.719 810 HA SER 19 HA SER 19 -8.251 11.067 -1.622 811 HB2 SER 19 2HB SER 19 -6.367 11.340 -3.203 812 HB3 SER 19 3HB SER 19 -5.845 10.641 -1.666 813 HG SER 19 HG SER 19 -6.636 8.821 -3.588 814 H GLU 20 H GLU 20 -8.768 12.059 -3.649 815 HA GLU 20 HA GLU 20 -9.181 10.236 -5.901 816 HB2 GLU 20 2HB GLU 20 -11.167 11.356 -6.629 817 HB3 GLU 20 3HB GLU 20 -11.410 10.896 -4.954 818 HG2 GLU 20 2HG GLU 20 -10.496 13.632 -5.741 819 HG3 GLU 20 3HG GLU 20 -12.200 13.189 -5.682 820 H ASN 21 H ASN 21 -8.193 10.882 -7.685 821 HA ASN 21 HA ASN 21 -6.659 13.365 -7.543 822 HB2 ASN 21 2HB ASN 21 -5.442 11.270 -8.005 823 HB3 ASN 21 3HB ASN 21 -6.433 11.006 -9.434 824 HD21 ASN 21 1HD2 ASN 21 -3.932 12.962 -8.006 825 HD22 ASN 21 2HD2 ASN 21 -3.355 13.654 -9.479 826 H GLU 22 H GLU 22 -7.187 15.082 -8.673 827 HA GLU 22 HA GLU 22 -8.380 16.505 -9.989 828 HB2 GLU 22 2HB GLU 22 -8.337 14.247 -12.006 829 HB3 GLU 22 3HB GLU 22 -8.513 15.963 -12.341 830 HG2 GLU 22 2HG GLU 22 -6.060 14.558 -11.309 831 HG3 GLU 22 3HG GLU 22 -6.289 15.286 -12.897 832 H LYS 23 H LYS 23 -9.858 15.004 -8.167 833 HA LYS 23 HA LYS 23 -11.790 13.901 -7.680 834 HB2 LYS 23 2HB LYS 23 -12.475 16.289 -7.912 835 HB3 LYS 23 3HB LYS 23 -12.965 15.945 -9.567 836 HG2 LYS 23 2HG LYS 23 -14.556 14.263 -8.712 837 HG3 LYS 23 3HG LYS 23 -14.104 14.712 -7.067 838 HD2 LYS 23 2HD LYS 23 -14.882 16.993 -7.481 839 HD3 LYS 23 3HD LYS 23 -15.338 16.542 -9.125 840 HE2 LYS 23 2HE LYS 23 -17.294 16.510 -7.712 841 HE3 LYS 23 3HE LYS 23 -16.896 14.865 -8.204 842 HZ1 LYS 23 3HZ LYS 23 -15.766 14.598 -6.023 843 HZ2 LYS 23 1HZ LYS 23 -17.437 14.864 -5.894 844 HZ3 LYS 23 2HZ LYS 23 -16.346 16.123 -5.567 845 H GLY 24 H GLY 24 -11.027 11.998 -8.870 846 HA2 GLY 24 2HA GLY 24 -13.105 10.905 -10.405 847 HA3 GLY 24 3HA GLY 24 -11.815 11.410 -11.489 848 H TRP 25 H TRP 25 -9.542 10.735 -10.477 849 HA TRP 25 HA TRP 25 -9.672 7.843 -10.383 850 HB2 TRP 25 2HB TRP 25 -7.351 9.775 -10.482 851 HB3 TRP 25 3HB TRP 25 -7.146 8.030 -10.365 852 HD1 TRP 25 HD1 TRP 25 -8.402 10.733 -12.787 853 HE1 TRP 25 HE1 TRP 25 -8.363 9.772 -15.171 854 HE3 TRP 25 HE3 TRP 25 -7.206 5.889 -11.680 855 HZ2 TRP 25 HZ2 TRP 25 -7.893 7.279 -16.417 856 HZ3 TRP 25 HZ3 TRP 25 -6.983 4.279 -13.522 857 HH2 TRP 25 HH2 TRP 25 -7.320 4.960 -15.841 858 H THR 26 H THR 26 -10.361 7.154 -8.443 859 HA THR 26 HA THR 26 -9.440 8.476 -6.033 860 HB THR 26 HB THR 26 -11.004 7.005 -4.853 861 HG1 THR 26 HG1 THR 26 -11.329 5.148 -5.810 862 HG21 THR 26 3HG2 THR 26 -11.862 9.091 -5.792 863 HG22 THR 26 1HG2 THR 26 -13.093 7.832 -5.847 864 HG23 THR 26 2HG2 THR 26 -12.218 8.272 -7.314 865 H LYS 27 H LYS 27 -8.829 7.027 -4.182 866 HA LYS 27 HA LYS 27 -7.487 4.570 -4.930 867 HB2 LYS 27 2HB LYS 27 -5.729 6.247 -5.265 868 HB3 LYS 27 3HB LYS 27 -6.013 6.891 -3.653 869 HG2 LYS 27 2HG LYS 27 -5.140 4.963 -2.620 870 HG3 LYS 27 3HG LYS 27 -5.168 4.053 -4.129 871 HD2 LYS 27 2HD LYS 27 -2.902 4.671 -3.650 872 HD3 LYS 27 3HD LYS 27 -3.456 5.603 -5.038 873 HE2 LYS 27 2HE LYS 27 -3.634 6.746 -2.279 874 HE3 LYS 27 3HE LYS 27 -2.104 6.768 -3.148 875 HZ1 LYS 27 3HZ LYS 27 -3.435 7.867 -5.005 876 HZ2 LYS 27 1HZ LYS 27 -3.089 8.803 -3.634 877 HZ3 LYS 27 2HZ LYS 27 -4.631 8.135 -3.837 878 H GLU 28 H GLU 28 -8.217 3.165 -3.520 879 HA GLU 28 HA GLU 28 -8.870 4.102 -0.810 880 HB2 GLU 28 2HB GLU 28 -10.490 2.370 -2.663 881 HB3 GLU 28 3HB GLU 28 -10.721 2.312 -0.923 882 HG2 GLU 28 2HG GLU 28 -12.372 3.752 -1.794 883 HG3 GLU 28 3HG GLU 28 -11.183 4.772 -0.994 884 H ILE 29 H ILE 29 -9.099 2.332 0.754 885 HA ILE 29 HA ILE 29 -7.384 0.016 0.153 886 HB ILE 29 HB ILE 29 -7.481 1.535 2.779 887 HG12 ILE 29 2HG1 ILE 29 -5.259 1.312 0.727 888 HG13 ILE 29 3HG1 ILE 29 -6.230 2.748 1.036 889 HG21 ILE 29 1HG2 ILE 29 -5.944 -0.914 1.915 890 HG22 ILE 29 2HG2 ILE 29 -7.150 -0.793 3.197 891 HG23 ILE 29 3HG2 ILE 29 -5.593 0.008 3.375 892 HD11 ILE 29 3HD1 ILE 29 -4.396 1.436 3.029 893 HD12 ILE 29 1HD1 ILE 29 -5.313 2.923 3.267 894 HD13 ILE 29 2HD1 ILE 29 -4.016 2.869 2.072 895 H ASN 30 H ASN 30 -8.238 -1.929 0.769 896 HA ASN 30 HA ASN 30 -10.397 -2.074 2.670 897 HB2 ASN 30 2HB ASN 30 -12.116 -2.891 1.182 898 HB3 ASN 30 3HB ASN 30 -11.590 -1.306 0.642 899 HD21 ASN 30 1HD2 ASN 30 -9.181 -2.225 -0.676 900 HD22 ASN 30 2HD2 ASN 30 -9.684 -3.081 -2.090 901 H ARG 31 H ARG 31 -11.132 -4.261 3.065 902 HA ARG 31 HA ARG 31 -9.085 -6.251 2.392 903 HB2 ARG 31 2HB ARG 31 -11.295 -6.317 4.464 904 HB3 ARG 31 3HB ARG 31 -10.192 -7.649 4.147 905 HG2 ARG 31 2HG ARG 31 -8.315 -6.033 4.683 906 HG3 ARG 31 3HG ARG 31 -9.563 -4.953 5.305 907 HD2 ARG 31 2HD ARG 31 -9.122 -7.786 6.238 908 HD3 ARG 31 3HD ARG 31 -8.483 -6.357 7.046 909 HE ARG 31 HE ARG 31 -11.064 -5.779 7.042 910 HH11 ARG 31 1HH1 ARG 31 -9.470 -8.816 7.718 911 HH12 ARG 31 2HH1 ARG 31 -10.668 -9.339 8.863 912 HH21 ARG 31 1HH2 ARG 31 -12.646 -6.457 8.589 913 HH22 ARG 31 2HH2 ARG 31 -12.446 -7.994 9.377 914 H VAL 32 H VAL 32 -9.478 -7.828 0.979 915 HA VAL 32 HA VAL 32 -12.232 -8.028 -0.065 916 HB VAL 32 HB VAL 32 -9.660 -8.373 -1.616 917 HG11 VAL 32 1HG1 VAL 32 -11.528 -9.717 -2.459 918 HG12 VAL 32 2HG1 VAL 32 -11.067 -8.440 -3.584 919 HG13 VAL 32 3HG1 VAL 32 -12.509 -8.258 -2.585 920 HG21 VAL 32 3HG2 VAL 32 -11.619 -6.082 -1.608 921 HG22 VAL 32 1HG2 VAL 32 -10.261 -6.263 -2.719 922 HG23 VAL 32 2HG2 VAL 32 -9.966 -6.049 -0.995 923 H SER 33 H SER 33 -13.122 -9.994 -0.222 924 HA SER 33 HA SER 33 -11.460 -12.339 0.362 925 HB2 SER 33 2HB SER 33 -13.735 -13.451 0.677 926 HB3 SER 33 3HB SER 33 -13.320 -12.201 1.852 927 HG SER 33 HG SER 33 -15.255 -11.516 1.275 928 H PHE 34 H PHE 34 -11.304 -14.019 -1.089 929 HA PHE 34 HA PHE 34 -12.457 -13.506 -3.750 930 HB2 PHE 34 2HB PHE 34 -9.941 -15.035 -3.044 931 HB3 PHE 34 3HB PHE 34 -10.555 -14.764 -4.670 932 HD1 PHE 34 HD1 PHE 34 -10.600 -12.450 -5.592 933 HD2 PHE 34 HD2 PHE 34 -8.658 -13.404 -1.930 934 HE1 PHE 34 HE1 PHE 34 -9.333 -10.345 -5.720 935 HE2 PHE 34 HE2 PHE 34 -7.389 -11.300 -2.046 936 HZ PHE 34 HZ PHE 34 -7.724 -9.766 -3.944 937 H ASN 35 H ASN 35 -14.180 -14.721 -4.038 938 HA ASN 35 HA ASN 35 -15.635 -16.449 -4.081 939 HB2 ASN 35 2HB ASN 35 -13.098 -18.085 -3.957 940 HB3 ASN 35 3HB ASN 35 -14.697 -18.786 -4.177 941 HD21 ASN 35 1HD2 ASN 35 -12.104 -17.056 -5.647 942 HD22 ASN 35 2HD2 ASN 35 -12.740 -17.069 -7.253 943 H GLY 36 H GLY 36 -13.270 -17.997 -1.942 944 HA2 GLY 36 2HA GLY 36 -15.037 -17.595 0.345 945 HA3 GLY 36 3HA GLY 36 -14.756 -19.258 -0.160 946 H ALA 37 H ALA 37 -12.439 -16.632 -0.282 947 HA ALA 37 HA ALA 37 -10.716 -18.148 1.559 948 HB1 ALA 37 3HB ALA 37 -8.836 -16.994 0.492 949 HB2 ALA 37 1HB ALA 37 -9.960 -16.123 -0.552 950 HB3 ALA 37 2HB ALA 37 -9.804 -17.875 -0.691 951 HA PRO 38 HA PRO 38 -10.831 -15.039 4.695 952 HB2 PRO 38 2HB PRO 38 -8.115 -14.761 5.206 953 HB3 PRO 38 3HB PRO 38 -9.168 -15.987 5.918 954 HG2 PRO 38 2HG PRO 38 -7.312 -16.201 3.588 955 HG3 PRO 38 3HG PRO 38 -7.648 -17.381 4.869 956 HD2 PRO 38 2HD PRO 38 -8.705 -17.652 2.429 957 HD3 PRO 38 3HD PRO 38 -9.639 -18.067 3.882 958 H ALA 39 H ALA 39 -10.609 -12.856 4.990 959 HA ALA 39 HA ALA 39 -10.346 -11.306 2.657 960 HB1 ALA 39 3HB ALA 39 -10.767 -9.407 4.073 961 HB2 ALA 39 1HB ALA 39 -10.342 -10.335 5.509 962 HB3 ALA 39 2HB ALA 39 -11.789 -10.748 4.592 963 H LYS 40 H LYS 40 -8.562 -10.710 1.663 964 HA LYS 40 HA LYS 40 -6.171 -10.142 3.272 965 HB2 LYS 40 2HB LYS 40 -6.571 -11.131 0.500 966 HB3 LYS 40 3HB LYS 40 -5.214 -10.041 0.766 967 HG2 LYS 40 2HG LYS 40 -4.295 -11.507 2.434 968 HG3 LYS 40 3HG LYS 40 -5.709 -12.557 2.341 969 HD2 LYS 40 2HD LYS 40 -5.125 -13.336 0.206 970 HD3 LYS 40 3HD LYS 40 -3.991 -12.011 -0.059 971 HE2 LYS 40 2HE LYS 40 -2.912 -14.209 0.421 972 HE3 LYS 40 3HE LYS 40 -2.447 -12.912 1.521 973 HZ1 LYS 40 3HZ LYS 40 -2.844 -14.890 2.773 974 HZ2 LYS 40 1HZ LYS 40 -4.373 -15.113 2.072 975 HZ3 LYS 40 2HZ LYS 40 -4.096 -13.804 3.111 976 H PHE 41 H PHE 41 -4.810 -8.291 2.214 977 HA PHE 41 HA PHE 41 -6.666 -6.035 2.302 978 HB2 PHE 41 2HB PHE 41 -3.672 -6.112 2.722 979 HB3 PHE 41 3HB PHE 41 -4.712 -4.713 2.965 980 HD1 PHE 41 HD2 PHE 41 -3.722 -7.991 4.280 981 HD2 PHE 41 HD1 PHE 41 -6.113 -4.525 4.907 982 HE1 PHE 41 HE2 PHE 41 -4.098 -8.678 6.612 983 HE2 PHE 41 HE1 PHE 41 -6.490 -5.204 7.241 984 HZ PHE 41 HZ PHE 41 -5.483 -7.284 8.097 985 H ASP 42 H ASP 42 -6.951 -4.687 0.661 986 HA ASP 42 HA ASP 42 -5.218 -5.007 -1.703 987 HB2 ASP 42 2HB ASP 42 -7.357 -5.951 -2.205 988 HB3 ASP 42 3HB ASP 42 -8.201 -4.570 -1.513 989 H ILE 43 H ILE 43 -4.064 -3.284 -2.133 990 HA ILE 43 HA ILE 43 -5.097 -0.599 -1.456 991 HB ILE 43 HB ILE 43 -2.279 -1.248 -2.345 992 HG12 ILE 43 2HG1 ILE 43 -2.756 -2.544 -0.305 993 HG13 ILE 43 3HG1 ILE 43 -1.582 -1.267 -0.008 994 HG21 ILE 43 1HG2 ILE 43 -3.420 1.088 -0.813 995 HG22 ILE 43 2HG2 ILE 43 -2.981 1.085 -2.521 996 HG23 ILE 43 3HG2 ILE 43 -1.734 0.886 -1.290 997 HD11 ILE 43 3HD1 ILE 43 -4.507 -1.164 0.697 998 HD12 ILE 43 1HD1 ILE 43 -3.313 0.093 1.022 999 HD13 ILE 43 2HD1 ILE 43 -3.177 -1.478 1.813 1000 H ARG 44 H ARG 44 -6.219 0.178 -3.222 1001 HA ARG 44 HA ARG 44 -5.016 -0.175 -5.855 1002 HB2 ARG 44 2HB ARG 44 -6.277 -2.214 -5.535 1003 HB3 ARG 44 3HB ARG 44 -7.707 -1.303 -5.086 1004 HG2 ARG 44 2HG ARG 44 -8.138 -0.660 -7.265 1005 HG3 ARG 44 3HG ARG 44 -6.472 -0.941 -7.782 1006 HD2 ARG 44 2HD ARG 44 -8.312 -2.643 -8.462 1007 HD3 ARG 44 3HD ARG 44 -6.752 -3.238 -7.892 1008 HE ARG 44 HE ARG 44 -8.309 -3.081 -5.639 1009 HH11 ARG 44 1HH1 ARG 44 -8.505 -4.782 -8.705 1010 HH12 ARG 44 2HH1 ARG 44 -9.422 -6.097 -8.041 1011 HH21 ARG 44 1HH2 ARG 44 -9.472 -4.805 -4.787 1012 HH22 ARG 44 2HH2 ARG 44 -9.965 -6.117 -5.822 1013 H ALA 45 H ALA 45 -5.669 1.257 -7.394 1014 HA ALA 45 HA ALA 45 -7.310 3.501 -6.454 1015 HB1 ALA 45 3HB ALA 45 -5.441 3.348 -8.821 1016 HB2 ALA 45 1HB ALA 45 -5.031 4.013 -7.241 1017 HB3 ALA 45 2HB ALA 45 -6.267 4.790 -8.231 1018 H TRP 46 H TRP 46 -8.974 4.334 -7.770 1019 HA TRP 46 HA TRP 46 -9.968 2.444 -9.799 1020 HB2 TRP 46 2HB TRP 46 -11.595 3.875 -7.683 1021 HB3 TRP 46 3HB TRP 46 -12.270 2.913 -8.995 1022 HD1 TRP 46 HD1 TRP 46 -10.740 2.610 -5.561 1023 HE1 TRP 46 HE1 TRP 46 -10.773 0.148 -4.821 1024 HE3 TRP 46 HE3 TRP 46 -12.091 0.449 -9.997 1025 HZ2 TRP 46 HZ2 TRP 46 -11.296 -2.372 -5.962 1026 HZ3 TRP 46 HZ3 TRP 46 -12.337 -1.998 -10.084 1027 HH2 TRP 46 HH2 TRP 46 -11.948 -3.375 -8.108 1028 H SER 47 H SER 47 -11.026 3.310 -11.550 1029 HA SER 47 HA SER 47 -10.463 6.108 -12.077 1030 HB2 SER 47 2HB SER 47 -11.248 5.456 -14.401 1031 HB3 SER 47 3HB SER 47 -9.831 4.582 -13.814 1032 HG SER 47 HG SER 47 -12.274 3.634 -14.514 1033 HA PRO 48 HA PRO 48 -14.603 7.670 -11.594 1034 HB2 PRO 48 2HB PRO 48 -14.463 8.800 -14.326 1035 HB3 PRO 48 3HB PRO 48 -14.709 9.624 -12.782 1036 HG2 PRO 48 2HG PRO 48 -12.395 9.808 -14.118 1037 HG3 PRO 48 3HG PRO 48 -12.453 9.768 -12.347 1038 HD2 PRO 48 2HD PRO 48 -11.706 7.610 -14.272 1039 HD3 PRO 48 3HD PRO 48 -11.024 7.989 -12.676 1040 H ASP 49 H ASP 49 -13.818 6.349 -14.763 1041 HA ASP 49 HA ASP 49 -16.358 4.869 -14.720 1042 HB2 ASP 49 2HB ASP 49 -16.470 6.635 -16.425 1043 HB3 ASP 49 3HB ASP 49 -14.969 6.054 -17.137 1044 H HIS 50 H HIS 50 -16.202 2.683 -15.327 1045 HA HIS 50 HA HIS 50 -13.606 1.665 -14.633 1046 HB2 HIS 50 2HB HIS 50 -16.237 0.289 -15.137 1047 HB3 HIS 50 3HB HIS 50 -14.765 -0.570 -14.700 1048 HD1 HIS 50 HD1 HIS 50 -17.558 -0.148 -13.026 1049 HD2 HIS 50 HD2 HIS 50 -13.807 1.492 -12.276 1050 HE1 HIS 50 HE1 HIS 50 -17.542 0.430 -10.578 1051 HE2 HIS 50 HE2 HIS 50 -15.244 1.360 -10.126 1052 H THR 51 H THR 51 -14.745 2.510 -17.634 1053 HA THR 51 HA THR 51 -13.822 0.241 -19.108 1054 HB THR 51 HB THR 51 -13.831 1.769 -21.087 1055 HG1 THR 51 HG1 THR 51 -15.024 3.713 -19.399 1056 HG21 THR 51 3HG2 THR 51 -16.335 1.839 -19.399 1057 HG22 THR 51 1HG2 THR 51 -15.832 0.500 -20.433 1058 HG23 THR 51 2HG2 THR 51 -16.251 2.055 -21.149 1059 H LYS 52 H LYS 52 -12.290 3.089 -17.804 1060 HA LYS 52 HA LYS 52 -9.831 2.596 -19.261 1061 HB2 LYS 52 2HB LYS 52 -10.468 4.597 -17.082 1062 HB3 LYS 52 3HB LYS 52 -8.945 4.518 -17.960 1063 HG2 LYS 52 2HG LYS 52 -10.291 4.848 -20.073 1064 HG3 LYS 52 3HG LYS 52 -11.664 5.217 -19.033 1065 HD2 LYS 52 2HD LYS 52 -9.029 6.682 -18.947 1066 HD3 LYS 52 3HD LYS 52 -10.434 7.221 -19.869 1067 HE2 LYS 52 2HE LYS 52 -11.722 7.270 -17.741 1068 HE3 LYS 52 3HE LYS 52 -10.229 6.892 -16.880 1069 HZ1 LYS 52 3HZ LYS 52 -10.719 9.281 -16.902 1070 HZ2 LYS 52 1HZ LYS 52 -10.654 9.287 -18.595 1071 HZ3 LYS 52 2HZ LYS 52 -9.258 8.940 -17.695 1072 H MET 53 H MET 53 -11.304 1.683 -16.341 1073 HA MET 53 HA MET 53 -10.729 0.318 -14.638 1074 HB2 MET 53 2HB MET 53 -8.557 -0.411 -16.589 1075 HB3 MET 53 3HB MET 53 -8.708 -1.190 -15.021 1076 HG2 MET 53 2HG MET 53 -10.849 -1.134 -17.136 1077 HG3 MET 53 3HG MET 53 -9.738 -2.471 -16.854 1078 HE1 MET 53 3HE MET 53 -12.977 -2.677 -16.883 1079 HE2 MET 53 1HE MET 53 -13.214 -3.798 -15.541 1080 HE3 MET 53 2HE MET 53 -11.900 -4.060 -16.688 1081 H GLY 54 H GLY 54 -8.622 -0.394 -13.290 1082 HA2 GLY 54 2HA GLY 54 -6.849 1.900 -12.905 1083 HA3 GLY 54 3HA GLY 54 -7.858 1.406 -11.550 1084 H LYS 55 H LYS 55 -5.352 1.301 -10.915 1085 HA LYS 55 HA LYS 55 -4.626 -1.536 -11.171 1086 HB2 LYS 55 2HB LYS 55 -2.731 0.820 -11.206 1087 HB3 LYS 55 3HB LYS 55 -2.232 -0.861 -11.106 1088 HG2 LYS 55 2HG LYS 55 -3.277 -1.280 -13.298 1089 HG3 LYS 55 3HG LYS 55 -3.702 0.430 -13.401 1090 HD2 LYS 55 2HD LYS 55 -1.316 1.010 -13.272 1091 HD3 LYS 55 3HD LYS 55 -0.912 -0.709 -13.216 1092 HE2 LYS 55 2HE LYS 55 -1.985 -1.000 -15.420 1093 HE3 LYS 55 3HE LYS 55 -2.299 0.735 -15.477 1094 HZ1 LYS 55 3HZ LYS 55 -0.320 0.221 -16.723 1095 HZ2 LYS 55 1HZ LYS 55 0.367 -0.576 -15.393 1096 HZ3 LYS 55 2HZ LYS 55 0.113 1.099 -15.338 1097 H GLY 56 H GLY 56 -3.467 -2.422 -9.372 1098 HA2 GLY 56 2HA GLY 56 -3.055 -0.901 -6.992 1099 HA3 GLY 56 3HA GLY 56 -4.500 -1.898 -6.892 1100 H ILE 57 H ILE 57 -2.850 -2.582 -5.060 1101 HA ILE 57 HA ILE 57 -1.577 -5.025 -6.060 1102 HB ILE 57 HB ILE 57 0.196 -3.313 -5.894 1103 HG12 ILE 57 2HG1 ILE 57 0.472 -5.420 -3.736 1104 HG13 ILE 57 3HG1 ILE 57 0.661 -5.730 -5.461 1105 HG21 ILE 57 1HG2 ILE 57 -0.545 -3.219 -2.971 1106 HG22 ILE 57 2HG2 ILE 57 -0.720 -1.917 -4.150 1107 HG23 ILE 57 3HG2 ILE 57 0.888 -2.476 -3.684 1108 HD11 ILE 57 3HD1 ILE 57 2.539 -4.171 -5.533 1109 HD12 ILE 57 1HD1 ILE 57 2.813 -5.476 -4.378 1110 HD13 ILE 57 2HD1 ILE 57 2.353 -3.872 -3.805 1111 H THR 58 H THR 58 -1.795 -6.754 -4.740 1112 HA THR 58 HA THR 58 -3.476 -6.405 -2.387 1113 HB THR 58 HB THR 58 -2.573 -8.987 -3.680 1114 HG1 THR 58 HG1 THR 58 -4.615 -7.164 -4.326 1115 HG21 THR 58 3HG2 THR 58 -3.440 -9.256 -1.420 1116 HG22 THR 58 1HG2 THR 58 -4.590 -9.901 -2.594 1117 HG23 THR 58 2HG2 THR 58 -4.881 -8.330 -1.842 1118 H LEU 59 H LEU 59 -2.776 -6.669 -0.354 1119 HA LEU 59 HA LEU 59 0.010 -7.555 0.042 1120 HB2 LEU 59 2HB LEU 59 -1.692 -5.774 1.795 1121 HB3 LEU 59 3HB LEU 59 -0.035 -6.241 2.121 1122 HG LEU 59 HG LEU 59 -0.960 -4.534 -0.193 1123 HD11 LEU 59 1HD1 LEU 59 0.548 -3.825 2.318 1124 HD12 LEU 59 2HD1 LEU 59 -1.110 -3.368 1.926 1125 HD13 LEU 59 3HD1 LEU 59 0.228 -2.735 0.967 1126 HD21 LEU 59 3HD2 LEU 59 1.437 -4.176 -0.592 1127 HD22 LEU 59 1HD2 LEU 59 0.972 -5.862 -0.810 1128 HD23 LEU 59 2HD2 LEU 59 1.812 -5.362 0.659 1129 H SER 60 H SER 60 0.436 -9.161 1.502 1130 HA SER 60 HA SER 60 -1.722 -10.862 2.269 1131 HB2 SER 60 2HB SER 60 1.156 -11.035 3.181 1132 HB3 SER 60 3HB SER 60 -0.025 -12.342 3.095 1133 HG SER 60 HG SER 60 1.620 -11.373 1.178 1134 H ASN 61 H ASN 61 -2.062 -11.589 4.496 1135 HA ASN 61 HA ASN 61 -2.743 -9.447 6.169 1136 HB2 ASN 61 2HB ASN 61 -2.374 -12.343 6.970 1137 HB3 ASN 61 3HB ASN 61 -3.374 -11.142 7.785 1138 HD21 ASN 61 1HD2 ASN 61 -5.363 -10.606 6.929 1139 HD22 ASN 61 2HD2 ASN 61 -6.108 -11.505 5.650 1140 H GLU 62 H GLU 62 0.003 -11.628 6.156 1141 HA GLU 62 HA GLU 62 1.129 -10.784 8.622 1142 HB2 GLU 62 2HB GLU 62 2.496 -12.071 6.248 1143 HB3 GLU 62 3HB GLU 62 3.129 -11.993 7.883 1144 HG2 GLU 62 2HG GLU 62 2.313 -14.182 7.561 1145 HG3 GLU 62 3HG GLU 62 1.163 -13.364 8.612 1146 H GLU 63 H GLU 63 1.756 -9.966 5.247 1147 HA GLU 63 HA GLU 63 3.954 -8.260 5.743 1148 HB2 GLU 63 2HB GLU 63 2.094 -8.396 3.368 1149 HB3 GLU 63 3HB GLU 63 3.615 -7.515 3.405 1150 HG2 GLU 63 2HG GLU 63 4.831 -9.586 3.741 1151 HG3 GLU 63 3HG GLU 63 3.318 -10.488 3.775 1152 H PHE 64 H PHE 64 0.494 -7.683 5.402 1153 HA PHE 64 HA PHE 64 0.597 -4.868 5.320 1154 HB2 PHE 64 2HB PHE 64 -1.372 -6.384 4.773 1155 HB3 PHE 64 3HB PHE 64 -1.643 -6.504 6.507 1156 HD1 PHE 64 HD1 PHE 64 -1.646 -4.237 3.619 1157 HD2 PHE 64 HD2 PHE 64 -2.660 -4.712 7.725 1158 HE1 PHE 64 HE1 PHE 64 -2.989 -2.182 3.519 1159 HE2 PHE 64 HE2 PHE 64 -3.997 -2.650 7.634 1160 HZ PHE 64 HZ PHE 64 -4.167 -1.384 5.527 1161 H GLN 65 H GLN 65 0.146 -7.125 8.036 1162 HA GLN 65 HA GLN 65 -0.046 -5.241 10.095 1163 HB2 GLN 65 2HB GLN 65 -0.468 -7.709 10.310 1164 HB3 GLN 65 3HB GLN 65 1.271 -7.966 10.266 1165 HG2 GLN 65 2HG GLN 65 0.717 -8.026 12.532 1166 HG3 GLN 65 3HG GLN 65 1.388 -6.417 12.282 1167 HE21 GLN 65 1HE2 GLN 65 0.334 -5.494 14.014 1168 HE22 GLN 65 2HE2 GLN 65 -1.373 -5.236 14.036 1169 H THR 66 H THR 66 2.732 -6.737 8.558 1170 HA THR 66 HA THR 66 4.768 -5.795 10.207 1171 HB THR 66 HB THR 66 4.832 -6.374 7.238 1172 HG1 THR 66 HG1 THR 66 4.248 -8.203 8.397 1173 HG21 THR 66 3HG2 THR 66 6.772 -5.042 7.914 1174 HG22 THR 66 1HG2 THR 66 7.244 -6.696 7.526 1175 HG23 THR 66 2HG2 THR 66 7.113 -6.186 9.211 1176 H MET 67 H MET 67 3.451 -4.345 7.213 1177 HA MET 67 HA MET 67 5.216 -2.145 7.229 1178 HB2 MET 67 2HB MET 67 3.998 -1.258 5.443 1179 HB3 MET 67 3HB MET 67 3.759 -2.993 5.278 1180 HG2 MET 67 2HG MET 67 1.563 -2.865 6.113 1181 HG3 MET 67 3HG MET 67 1.799 -1.222 6.698 1182 HE1 MET 67 3HE MET 67 -0.757 -0.282 4.068 1183 HE2 MET 67 1HE MET 67 -0.116 0.010 5.687 1184 HE3 MET 67 2HE MET 67 -0.791 -1.569 5.273 1185 H VAL 68 H VAL 68 2.021 -2.629 8.612 1186 HA VAL 68 HA VAL 68 1.449 0.051 9.195 1187 HB VAL 68 HB VAL 68 0.453 -2.531 10.390 1188 HG11 VAL 68 1HG1 VAL 68 -1.300 -1.257 11.509 1189 HG12 VAL 68 2HG1 VAL 68 -0.545 0.251 10.993 1190 HG13 VAL 68 3HG1 VAL 68 0.293 -0.813 12.123 1191 HG21 VAL 68 3HG2 VAL 68 -0.795 -0.476 8.567 1192 HG22 VAL 68 1HG2 VAL 68 -1.587 -1.934 9.162 1193 HG23 VAL 68 2HG2 VAL 68 -0.191 -2.065 8.092 1194 H ASP 69 H ASP 69 3.042 -2.461 11.131 1195 HA ASP 69 HA ASP 69 3.303 -0.872 13.457 1196 HB2 ASP 69 2HB ASP 69 3.500 -3.357 13.417 1197 HB3 ASP 69 3HB ASP 69 5.054 -3.184 12.610 1198 H ALA 70 H ALA 70 5.313 -1.315 10.609 1199 HA ALA 70 HA ALA 70 7.559 0.128 11.575 1200 HB1 ALA 70 3HB ALA 70 7.691 -1.413 9.672 1201 HB2 ALA 70 1HB ALA 70 8.278 0.195 9.249 1202 HB3 ALA 70 2HB ALA 70 6.677 -0.324 8.725 1203 H PHE 71 H PHE 71 4.574 1.053 9.970 1204 HA PHE 71 HA PHE 71 5.451 3.756 9.495 1205 HB2 PHE 71 2HB PHE 71 2.757 2.436 9.140 1206 HB3 PHE 71 3HB PHE 71 3.091 4.118 8.729 1207 HD1 PHE 71 HD2 PHE 71 5.877 3.748 7.645 1208 HD2 PHE 71 HD1 PHE 71 2.276 1.569 7.016 1209 HE1 PHE 71 HE2 PHE 71 6.702 3.030 5.444 1210 HE2 PHE 71 HE1 PHE 71 3.096 0.847 4.812 1211 HZ PHE 71 HZ PHE 71 5.309 1.580 4.025 1212 H LYS 72 H LYS 72 3.453 2.113 11.912 1213 HA LYS 72 HA LYS 72 2.758 4.537 13.264 1214 HB2 LYS 72 2HB LYS 72 2.196 3.063 15.193 1215 HB3 LYS 72 3HB LYS 72 1.399 2.603 13.699 1216 HG2 LYS 72 2HG LYS 72 3.061 0.827 13.381 1217 HG3 LYS 72 3HG LYS 72 3.811 1.276 14.913 1218 HD2 LYS 72 2HD LYS 72 0.896 0.660 14.864 1219 HD3 LYS 72 3HD LYS 72 2.047 -0.673 14.777 1220 HE2 LYS 72 2HE LYS 72 2.009 1.446 16.922 1221 HE3 LYS 72 3HE LYS 72 1.324 -0.170 17.084 1222 HZ1 LYS 72 3HZ LYS 72 3.600 -1.039 16.574 1223 HZ2 LYS 72 1HZ LYS 72 3.466 -0.211 18.051 1224 HZ3 LYS 72 2HZ LYS 72 4.180 0.550 16.717 1225 H GLY 73 H GLY 73 5.593 2.678 13.014 1226 HA2 GLY 73 2HA GLY 73 6.866 3.648 15.394 1227 HA3 GLY 73 3HA GLY 73 7.651 2.870 14.029 1228 H ASN 74 H ASN 74 5.642 5.737 13.851 1229 HA ASN 74 HA ASN 74 6.050 7.946 13.601 1230 HB2 ASN 74 2HB ASN 74 7.816 7.718 15.304 1231 HB3 ASN 74 3HB ASN 74 8.968 7.306 14.041 1232 HD21 ASN 74 1HD2 ASN 74 7.037 9.813 15.450 1233 HD22 ASN 74 2HD2 ASN 74 7.857 11.142 14.711 1234 H LEU 75 H LEU 75 5.364 8.045 11.551 1235 HA LEU 75 HA LEU 75 7.408 8.006 9.428 1236 HB2 LEU 75 2HB LEU 75 5.541 6.657 8.800 1237 HB3 LEU 75 3HB LEU 75 4.398 7.876 9.331 1238 HG LEU 75 HG LEU 75 5.388 9.364 7.490 1239 HD11 LEU 75 1HD1 LEU 75 7.378 8.041 7.039 1240 HD12 LEU 75 2HD1 LEU 75 6.366 8.206 5.602 1241 HD13 LEU 75 3HD1 LEU 75 6.363 6.695 6.511 1242 HD21 LEU 75 3HD2 LEU 75 3.162 8.252 7.445 1243 HD22 LEU 75 1HD2 LEU 75 3.916 6.917 6.577 1244 HD23 LEU 75 2HD2 LEU 75 3.881 8.524 5.856 1245 H GLU 76 H GLU 76 4.734 9.844 10.763 1246 HA GLU 76 HA GLU 76 4.996 12.105 9.099 1247 HB2 GLU 76 2HB GLU 76 3.424 13.178 10.627 1248 HB3 GLU 76 3HB GLU 76 2.908 11.541 10.259 1249 HG2 GLU 76 2HG GLU 76 4.287 12.423 12.792 1250 HG3 GLU 76 3HG GLU 76 2.562 12.118 12.609 1251 H HIS 77 H HIS 77 6.563 11.137 12.028 1252 HA HIS 77 HA HIS 77 8.284 12.010 13.222 1253 HB2 HIS 77 2HB HIS 77 8.408 13.806 10.819 1254 HB3 HIS 77 3HB HIS 77 9.445 14.099 12.213 1255 HD1 HIS 77 HD1 HIS 77 8.717 11.375 9.655 1256 HD2 HIS 77 HD2 HIS 77 11.708 12.604 12.272 1257 HE1 HIS 77 HE1 HIS 77 10.713 9.932 9.136 1258 HE2 HIS 77 HE2 HIS 77 12.485 10.637 10.788 1259 H HIS 78 H HIS 78 5.379 13.256 12.970 1260 HA HIS 78 HA HIS 78 5.908 15.374 14.939 1261 HB2 HIS 78 2HB HIS 78 3.814 15.437 12.748 1262 HB3 HIS 78 3HB HIS 78 3.954 16.623 14.041 1263 HD1 HIS 78 HD1 HIS 78 6.470 17.838 14.065 1264 HD2 HIS 78 HD2 HIS 78 5.118 16.174 10.496 1265 HE1 HIS 78 HE1 HIS 78 7.844 18.908 12.250 1266 HE2 HIS 78 HE2 HIS 78 7.088 17.810 10.108 1267 H HIS 79 H HIS 79 5.575 13.054 15.986 1268 HA HIS 79 HA HIS 79 2.945 12.119 16.330 1269 HB2 HIS 79 2HB HIS 79 3.843 11.007 18.403 1270 HB3 HIS 79 3HB HIS 79 4.718 10.638 16.927 1271 HD1 HIS 79 HD1 HIS 79 5.149 12.021 20.318 1272 HD2 HIS 79 HD2 HIS 79 7.297 11.901 16.754 1273 HE1 HIS 79 HE1 HIS 79 7.517 12.648 20.920 1274 HE2 HIS 79 HE2 HIS 79 8.748 12.737 18.721 1275 H HIS 80 H HIS 80 1.303 13.015 17.301 1276 HA HIS 80 HA HIS 80 1.827 15.042 19.373 1277 HB2 HIS 80 2HB HIS 80 -0.211 16.258 18.477 1278 HB3 HIS 80 3HB HIS 80 1.225 16.313 17.464 1279 HD1 HIS 80 HD1 HIS 80 1.151 14.959 15.230 1280 HD2 HIS 80 HD2 HIS 80 -2.431 15.031 17.343 1281 HE1 HIS 80 HE1 HIS 80 -0.607 14.187 13.607 1282 HE2 HIS 80 HE2 HIS 80 -2.784 14.474 14.840 1283 H HIS 81 H HIS 81 0.792 12.105 19.016 1284 HA HIS 81 HA HIS 81 -0.802 12.185 21.392 1285 HB2 HIS 81 2HB HIS 81 -2.531 12.661 19.672 1286 HB3 HIS 81 3HB HIS 81 -2.087 11.179 18.834 1287 HD1 HIS 81 HD1 HIS 81 -3.175 9.046 19.608 1288 HD2 HIS 81 HD2 HIS 81 -3.790 12.207 22.242 1289 HE1 HIS 81 HE1 HIS 81 -4.836 8.208 21.301 1290 HE2 HIS 81 HE2 HIS 81 -5.039 10.068 22.990 1291 H HIS 82 H HIS 82 -0.531 10.287 22.503 1292 HA HIS 82 HA HIS 82 0.593 8.016 21.003 1293 HB2 HIS 82 2HB HIS 82 2.253 9.217 22.493 1294 HB3 HIS 82 3HB HIS 82 1.279 8.711 23.866 1295 HD1 HIS 82 HD1 HIS 82 4.310 7.861 23.049 1296 HD2 HIS 82 HD2 HIS 82 0.862 5.551 22.819 1297 HE1 HIS 82 HE1 HIS 82 5.087 5.463 23.091 1298 HE2 HIS 82 HE2 HIS 82 2.991 4.094 22.771 Start of MODEL 14 1 H1 MET 1 1H MET 1 14.990 20.416 -19.476 2 H2 MET 1 2H MET 1 14.412 19.834 -17.996 3 H3 MET 1 3H MET 1 13.631 21.131 -18.758 4 HA MET 1 HA MET 1 12.389 19.083 -19.013 5 HB2 MET 1 2HB MET 1 12.040 19.196 -21.399 6 HB3 MET 1 3HB MET 1 12.341 20.820 -20.805 7 HG2 MET 1 2HG MET 1 14.389 19.072 -22.149 8 HG3 MET 1 3HG MET 1 13.451 20.329 -22.950 9 HE1 MET 1 3HE MET 1 15.643 21.490 -23.846 10 HE2 MET 1 1HE MET 1 16.615 20.228 -23.094 11 HE3 MET 1 2HE MET 1 17.013 21.926 -22.826 12 H LYS 2 H LYS 2 12.319 17.031 -20.446 13 HA LYS 2 HA LYS 2 14.620 15.481 -19.722 14 HB2 LYS 2 2HB LYS 2 13.341 13.602 -20.887 15 HB3 LYS 2 3HB LYS 2 12.642 14.290 -19.434 16 HG2 LYS 2 2HG LYS 2 11.057 15.556 -20.761 17 HG3 LYS 2 3HG LYS 2 11.802 14.963 -22.251 18 HD2 LYS 2 2HD LYS 2 11.186 12.691 -21.708 19 HD3 LYS 2 3HD LYS 2 10.569 13.196 -20.137 20 HE2 LYS 2 2HE LYS 2 9.447 14.230 -22.729 21 HE3 LYS 2 3HE LYS 2 8.857 12.758 -21.959 22 HZ1 LYS 2 3HZ LYS 2 8.522 14.214 -19.917 23 HZ2 LYS 2 1HZ LYS 2 7.444 14.435 -21.208 24 HZ3 LYS 2 2HZ LYS 2 8.705 15.540 -20.959 25 H LYS 3 H LYS 3 15.742 14.056 -21.226 26 HA LYS 3 HA LYS 3 16.918 15.731 -23.233 27 HB2 LYS 3 2HB LYS 3 18.190 14.263 -21.660 28 HB3 LYS 3 3HB LYS 3 17.564 12.870 -22.526 29 HG2 LYS 3 2HG LYS 3 18.643 13.856 -24.598 30 HG3 LYS 3 3HG LYS 3 19.488 14.952 -23.501 31 HD2 LYS 3 2HD LYS 3 20.389 13.012 -22.286 32 HD3 LYS 3 3HD LYS 3 19.577 11.937 -23.424 33 HE2 LYS 3 2HE LYS 3 21.850 12.117 -24.103 34 HE3 LYS 3 3HE LYS 3 20.879 13.032 -25.253 35 HZ1 LYS 3 3HZ LYS 3 21.493 15.065 -24.087 36 HZ2 LYS 3 1HZ LYS 3 22.865 14.237 -24.635 37 HZ3 LYS 3 2HZ LYS 3 22.435 14.175 -22.999 38 H MET 4 H MET 4 14.736 15.646 -24.401 39 HA MET 4 HA MET 4 13.361 14.942 -26.086 40 HB2 MET 4 2HB MET 4 14.530 14.664 -28.224 41 HB3 MET 4 3HB MET 4 15.154 16.014 -27.296 42 HG2 MET 4 2HG MET 4 17.084 14.676 -26.635 43 HG3 MET 4 3HG MET 4 16.450 13.306 -27.543 44 HE1 MET 4 3HE MET 4 19.395 14.512 -27.909 45 HE2 MET 4 1HE MET 4 19.549 14.484 -29.667 46 HE3 MET 4 2HE MET 4 18.799 13.127 -28.825 47 H ALA 5 H ALA 5 13.622 12.899 -24.250 48 HA ALA 5 HA ALA 5 13.107 10.577 -25.923 49 HB1 ALA 5 3HB ALA 5 15.489 10.384 -25.374 50 HB2 ALA 5 1HB ALA 5 14.545 9.120 -24.584 51 HB3 ALA 5 2HB ALA 5 15.106 10.513 -23.658 52 H GLU 6 H GLU 6 12.792 8.702 -23.934 53 HA GLU 6 HA GLU 6 10.407 9.672 -22.637 54 HB2 GLU 6 2HB GLU 6 11.711 6.958 -22.754 55 HB3 GLU 6 3HB GLU 6 10.245 7.280 -21.839 56 HG2 GLU 6 2HG GLU 6 9.126 7.995 -23.893 57 HG3 GLU 6 3HG GLU 6 10.594 7.640 -24.805 58 H PHE 7 H PHE 7 10.394 8.119 -20.301 59 HA PHE 7 HA PHE 7 11.848 10.026 -18.655 60 HB2 PHE 7 2HB PHE 7 9.935 7.936 -17.647 61 HB3 PHE 7 3HB PHE 7 10.315 9.505 -16.948 62 HD1 PHE 7 HD1 PHE 7 9.525 11.580 -18.182 63 HD2 PHE 7 HD2 PHE 7 8.134 7.661 -19.080 64 HE1 PHE 7 HE1 PHE 7 7.561 12.537 -19.313 65 HE2 PHE 7 HE2 PHE 7 6.169 8.611 -20.208 66 HZ PHE 7 HZ PHE 7 5.882 11.051 -20.328 67 H THR 8 H THR 8 13.139 9.439 -16.898 68 HA THR 8 HA THR 8 13.876 6.598 -16.729 69 HB THR 8 HB THR 8 15.778 7.855 -17.612 70 HG1 THR 8 HG1 THR 8 15.984 6.145 -15.872 71 HG21 THR 8 3HG2 THR 8 16.897 9.582 -16.282 72 HG22 THR 8 1HG2 THR 8 15.610 9.491 -15.081 73 HG23 THR 8 2HG2 THR 8 15.255 10.066 -16.710 74 H PHE 9 H PHE 9 13.833 5.694 -14.737 75 HA PHE 9 HA PHE 9 13.219 7.447 -12.463 76 HB2 PHE 9 2HB PHE 9 11.533 5.795 -11.682 77 HB3 PHE 9 3HB PHE 9 11.087 6.558 -13.202 78 HD1 PHE 9 HD1 PHE 9 11.217 5.288 -15.311 79 HD2 PHE 9 HD2 PHE 9 11.925 3.451 -11.535 80 HE1 PHE 9 HE1 PHE 9 10.893 3.073 -16.333 81 HE2 PHE 9 HE2 PHE 9 11.610 1.233 -12.551 82 HZ PHE 9 HZ PHE 9 11.091 1.041 -14.952 83 H GLU 10 H GLU 10 14.066 6.816 -10.519 84 HA GLU 10 HA GLU 10 15.509 4.277 -10.396 85 HB2 GLU 10 2HB GLU 10 16.966 6.234 -11.270 86 HB3 GLU 10 3HB GLU 10 16.901 6.830 -9.618 87 HG2 GLU 10 2HG GLU 10 18.031 4.923 -8.793 88 HG3 GLU 10 3HG GLU 10 17.861 4.077 -10.330 89 H ILE 11 H ILE 11 15.801 3.506 -8.296 90 HA ILE 11 HA ILE 11 13.891 4.572 -6.421 91 HB ILE 11 HB ILE 11 15.692 2.152 -6.300 92 HG12 ILE 11 2HG1 ILE 11 13.412 1.004 -6.193 93 HG13 ILE 11 3HG1 ILE 11 12.719 2.558 -6.635 94 HG21 ILE 11 1HG2 ILE 11 13.725 3.090 -4.216 95 HG22 ILE 11 2HG2 ILE 11 15.479 3.029 -4.042 96 HG23 ILE 11 3HG2 ILE 11 14.557 1.535 -4.214 97 HD11 ILE 11 3HD1 ILE 11 14.684 0.976 -8.276 98 HD12 ILE 11 1HD1 ILE 11 13.970 2.527 -8.723 99 HD13 ILE 11 2HD1 ILE 11 12.947 1.098 -8.560 100 H GLU 12 H GLU 12 14.280 5.951 -4.871 101 HA GLU 12 HA GLU 12 17.009 6.775 -4.298 102 HB2 GLU 12 2HB GLU 12 14.285 7.860 -3.628 103 HB3 GLU 12 3HB GLU 12 15.723 8.464 -2.817 104 HG2 GLU 12 2HG GLU 12 15.532 8.406 -5.802 105 HG3 GLU 12 3HG GLU 12 14.846 9.728 -4.857 106 H GLU 13 H GLU 13 14.150 5.768 -2.453 107 HA GLU 13 HA GLU 13 15.861 4.684 -0.359 108 HB2 GLU 13 2HB GLU 13 15.643 6.941 0.369 109 HB3 GLU 13 3HB GLU 13 13.934 6.983 -0.034 110 HG2 GLU 13 2HG GLU 13 13.507 5.363 1.778 111 HG3 GLU 13 3HG GLU 13 15.215 5.447 2.209 112 H HIS 14 H HIS 14 15.049 2.709 0.075 113 HA HIS 14 HA HIS 14 12.157 2.343 -0.174 114 HB2 HIS 14 2HB HIS 14 12.502 -0.041 -0.063 115 HB3 HIS 14 3HB HIS 14 13.576 0.646 -1.265 116 HD1 HIS 14 HD1 HIS 14 13.831 -2.132 0.311 117 HD2 HIS 14 HD2 HIS 14 16.042 1.340 0.946 118 HE1 HIS 14 HE1 HIS 14 15.998 -2.881 1.352 119 HE2 HIS 14 HE2 HIS 14 17.398 -0.793 1.498 120 H LEU 15 H LEU 15 10.832 2.046 1.500 121 HA LEU 15 HA LEU 15 11.973 2.923 4.043 122 HB2 LEU 15 2HB LEU 15 9.124 2.843 3.053 123 HB3 LEU 15 3HB LEU 15 9.632 3.492 4.600 124 HG LEU 15 HG LEU 15 10.622 4.595 1.978 125 HD11 LEU 15 1HD1 LEU 15 8.190 4.776 2.048 126 HD12 LEU 15 2HD1 LEU 15 8.952 6.356 2.243 127 HD13 LEU 15 3HD1 LEU 15 8.287 5.518 3.646 128 HD21 LEU 15 3HD2 LEU 15 10.545 5.709 4.778 129 HD22 LEU 15 1HD2 LEU 15 11.149 6.547 3.347 130 HD23 LEU 15 2HD2 LEU 15 11.976 5.108 3.942 131 H LEU 16 H LEU 16 10.166 0.273 2.645 132 HA LEU 16 HA LEU 16 10.336 -1.224 5.128 133 HB2 LEU 16 2HB LEU 16 8.179 0.330 4.878 134 HB3 LEU 16 3HB LEU 16 7.623 -1.027 3.923 135 HG LEU 16 HG LEU 16 8.371 -1.043 6.844 136 HD11 LEU 16 1HD1 LEU 16 5.792 -1.506 5.368 137 HD12 LEU 16 2HD1 LEU 16 6.191 -0.138 6.408 138 HD13 LEU 16 3HD1 LEU 16 6.024 -1.754 7.099 139 HD21 LEU 16 3HD2 LEU 16 7.737 -3.399 6.857 140 HD22 LEU 16 1HD2 LEU 16 9.147 -3.115 5.834 141 HD23 LEU 16 2HD2 LEU 16 7.562 -3.361 5.100 142 H THR 17 H THR 17 11.102 -3.120 4.417 143 HA THR 17 HA THR 17 10.200 -4.203 1.865 144 HB THR 17 HB THR 17 12.211 -5.338 3.832 145 HG1 THR 17 HG1 THR 17 12.614 -3.879 1.391 146 HG21 THR 17 3HG2 THR 17 11.261 -7.046 2.368 147 HG22 THR 17 1HG2 THR 17 12.930 -6.711 1.910 148 HG23 THR 17 2HG2 THR 17 11.603 -6.049 0.956 149 H LEU 18 H LEU 18 8.466 -5.493 1.794 150 HA LEU 18 HA LEU 18 7.266 -6.265 4.322 151 HB2 LEU 18 2HB LEU 18 6.187 -6.347 1.506 152 HB3 LEU 18 3HB LEU 18 5.275 -6.793 2.935 153 HG LEU 18 HG LEU 18 6.400 -4.040 2.417 154 HD11 LEU 18 1HD1 LEU 18 4.064 -3.404 2.011 155 HD12 LEU 18 2HD1 LEU 18 3.596 -5.100 2.122 156 HD13 LEU 18 3HD1 LEU 18 4.653 -4.562 0.818 157 HD21 LEU 18 3HD2 LEU 18 4.480 -5.048 4.511 158 HD22 LEU 18 1HD2 LEU 18 4.968 -3.371 4.276 159 HD23 LEU 18 2HD2 LEU 18 6.154 -4.570 4.789 160 H SER 19 H SER 19 7.599 -7.938 1.163 161 HA SER 19 HA SER 19 8.102 -10.438 2.560 162 HB2 SER 19 2HB SER 19 6.072 -11.476 1.446 163 HB3 SER 19 3HB SER 19 5.726 -10.345 2.759 164 HG SER 19 HG SER 19 4.465 -10.049 0.773 165 H GLU 20 H GLU 20 8.085 -12.302 0.985 166 HA GLU 20 HA GLU 20 8.892 -11.494 -1.728 167 HB2 GLU 20 2HB GLU 20 10.845 -12.214 -0.423 168 HB3 GLU 20 3HB GLU 20 10.038 -13.719 -0.020 169 HG2 GLU 20 2HG GLU 20 10.370 -13.118 -2.891 170 HG3 GLU 20 3HG GLU 20 11.829 -13.494 -1.978 171 H ASN 21 H ASN 21 7.444 -12.191 -3.145 172 HA ASN 21 HA ASN 21 5.521 -14.220 -2.292 173 HB2 ASN 21 2HB ASN 21 5.425 -12.221 -4.558 174 HB3 ASN 21 3HB ASN 21 4.160 -13.389 -4.208 175 HD21 ASN 21 1HD2 ASN 21 4.346 -13.149 -1.336 176 HD22 ASN 21 2HD2 ASN 21 3.694 -11.595 -0.926 177 H GLU 22 H GLU 22 4.517 -15.348 -4.298 178 HA GLU 22 HA GLU 22 6.127 -17.406 -5.051 179 HB2 GLU 22 2HB GLU 22 3.839 -16.319 -6.701 180 HB3 GLU 22 3HB GLU 22 4.480 -17.953 -6.763 181 HG2 GLU 22 2HG GLU 22 2.577 -18.205 -5.493 182 HG3 GLU 22 3HG GLU 22 3.830 -18.053 -4.264 183 H LYS 23 H LYS 23 7.482 -17.922 -6.639 184 HA LYS 23 HA LYS 23 8.735 -17.867 -8.524 185 HB2 LYS 23 2HB LYS 23 6.562 -17.071 -9.577 186 HB3 LYS 23 3HB LYS 23 7.191 -15.439 -9.426 187 HG2 LYS 23 2HG LYS 23 7.544 -16.307 -11.662 188 HG3 LYS 23 3HG LYS 23 9.087 -16.036 -10.848 189 HD2 LYS 23 2HD LYS 23 9.208 -18.426 -10.304 190 HD3 LYS 23 3HD LYS 23 7.677 -18.692 -11.138 191 HE2 LYS 23 2HE LYS 23 9.592 -19.305 -12.533 192 HE3 LYS 23 3HE LYS 23 8.673 -17.974 -13.235 193 HZ1 LYS 23 3HZ LYS 23 11.112 -17.673 -13.321 194 HZ2 LYS 23 1HZ LYS 23 11.145 -17.626 -11.628 195 HZ3 LYS 23 2HZ LYS 23 10.315 -16.427 -12.495 196 H GLY 24 H GLY 24 8.852 -15.761 -6.107 197 HA2 GLY 24 2HA GLY 24 10.821 -14.746 -5.345 198 HA3 GLY 24 3HA GLY 24 11.460 -14.806 -6.983 199 H TRP 25 H TRP 25 8.292 -13.561 -6.342 200 HA TRP 25 HA TRP 25 9.135 -10.948 -7.308 201 HB2 TRP 25 2HB TRP 25 6.445 -12.207 -6.780 202 HB3 TRP 25 3HB TRP 25 6.608 -10.482 -7.093 203 HD1 TRP 25 HD1 TRP 25 8.878 -12.808 -9.052 204 HE1 TRP 25 HE1 TRP 25 8.122 -12.851 -11.510 205 HE3 TRP 25 HE3 TRP 25 4.461 -10.278 -8.579 206 HZ2 TRP 25 HZ2 TRP 25 5.935 -11.928 -13.045 207 HZ3 TRP 25 HZ3 TRP 25 3.095 -9.897 -10.590 208 HH2 TRP 25 HH2 TRP 25 3.821 -10.704 -12.781 209 H THR 26 H THR 26 10.000 -9.638 -5.817 210 HA THR 26 HA THR 26 9.273 -9.987 -3.031 211 HB THR 26 HB THR 26 11.237 -8.015 -4.204 212 HG1 THR 26 HG1 THR 26 11.346 -10.762 -3.975 213 HG21 THR 26 3HG2 THR 26 11.025 -9.294 -1.474 214 HG22 THR 26 1HG2 THR 26 10.620 -7.623 -1.866 215 HG23 THR 26 2HG2 THR 26 12.289 -8.178 -1.992 216 H LYS 27 H LYS 27 8.197 -8.521 -1.798 217 HA LYS 27 HA LYS 27 6.929 -6.292 -3.252 218 HB2 LYS 27 2HB LYS 27 5.372 -8.130 -2.782 219 HB3 LYS 27 3HB LYS 27 5.793 -8.061 -1.077 220 HG2 LYS 27 2HG LYS 27 4.881 -5.755 -0.999 221 HG3 LYS 27 3HG LYS 27 4.353 -5.951 -2.674 222 HD2 LYS 27 2HD LYS 27 3.506 -7.665 -0.338 223 HD3 LYS 27 3HD LYS 27 2.536 -6.402 -1.098 224 HE2 LYS 27 2HE LYS 27 2.431 -7.620 -3.149 225 HE3 LYS 27 3HE LYS 27 3.599 -8.805 -2.567 226 HZ1 LYS 27 3HZ LYS 27 1.980 -9.471 -0.866 227 HZ2 LYS 27 1HZ LYS 27 1.389 -9.703 -2.439 228 HZ3 LYS 27 2HZ LYS 27 0.850 -8.385 -1.523 229 H GLU 28 H GLU 28 7.508 -4.355 -2.470 230 HA GLU 28 HA GLU 28 7.544 -3.937 0.364 231 HB2 GLU 28 2HB GLU 28 9.823 -3.158 0.569 232 HB3 GLU 28 3HB GLU 28 9.798 -4.826 0.031 233 HG2 GLU 28 2HG GLU 28 10.197 -4.025 -2.283 234 HG3 GLU 28 3HG GLU 28 10.370 -2.393 -1.635 235 H ILE 29 H ILE 29 8.240 -1.636 0.868 236 HA ILE 29 HA ILE 29 6.882 0.091 -1.093 237 HB ILE 29 HB ILE 29 7.102 0.413 1.907 238 HG12 ILE 29 2HG1 ILE 29 4.724 -0.379 0.210 239 HG13 ILE 29 3HG1 ILE 29 5.690 -1.503 1.157 240 HG21 ILE 29 1HG2 ILE 29 5.505 1.963 -0.135 241 HG22 ILE 29 2HG2 ILE 29 6.934 2.544 0.720 242 HG23 ILE 29 3HG2 ILE 29 5.452 2.200 1.612 243 HD11 ILE 29 3HD1 ILE 29 5.032 -0.321 3.197 244 HD12 ILE 29 1HD1 ILE 29 3.643 -0.949 2.310 245 HD13 ILE 29 2HD1 ILE 29 4.036 0.768 2.233 246 H ASN 30 H ASN 30 8.027 1.709 -1.974 247 HA ASN 30 HA ASN 30 10.403 2.700 -0.597 248 HB2 ASN 30 2HB ASN 30 11.801 2.382 -2.618 249 HB3 ASN 30 3HB ASN 30 11.262 0.858 -1.925 250 HD21 ASN 30 1HD2 ASN 30 9.708 -0.362 -3.015 251 HD22 ASN 30 2HD2 ASN 30 9.351 -0.096 -4.682 252 H ARG 31 H ARG 31 11.463 4.450 -2.013 253 HA ARG 31 HA ARG 31 9.349 6.136 -3.183 254 HB2 ARG 31 2HB ARG 31 11.883 6.920 -1.733 255 HB3 ARG 31 3HB ARG 31 10.801 8.055 -2.529 256 HG2 ARG 31 2HG ARG 31 9.030 7.528 -1.000 257 HG3 ARG 31 3HG ARG 31 9.987 6.234 -0.275 258 HD2 ARG 31 2HD ARG 31 10.015 8.228 1.123 259 HD3 ARG 31 3HD ARG 31 11.623 7.867 0.501 260 HE ARG 31 HE ARG 31 10.022 9.827 -0.965 261 HH11 ARG 31 1HH1 ARG 31 12.649 9.159 1.274 262 HH12 ARG 31 2HH1 ARG 31 13.365 10.737 1.087 263 HH21 ARG 31 1HH2 ARG 31 10.947 11.924 -1.161 264 HH22 ARG 31 2HH2 ARG 31 12.395 12.305 -0.277 265 H VAL 32 H VAL 32 9.536 6.569 -5.265 266 HA VAL 32 HA VAL 32 12.109 6.001 -6.584 267 HB VAL 32 HB VAL 32 9.348 6.060 -7.817 268 HG11 VAL 32 1HG1 VAL 32 11.122 6.603 -9.406 269 HG12 VAL 32 2HG1 VAL 32 10.422 5.022 -9.755 270 HG13 VAL 32 3HG1 VAL 32 11.988 5.135 -8.952 271 HG21 VAL 32 3HG2 VAL 32 11.061 3.696 -7.057 272 HG22 VAL 32 1HG2 VAL 32 9.526 3.624 -7.922 273 HG23 VAL 32 2HG2 VAL 32 9.572 4.202 -6.255 274 H SER 33 H SER 33 13.146 7.573 -7.646 275 HA SER 33 HA SER 33 11.922 10.220 -7.805 276 HB2 SER 33 2HB SER 33 14.235 9.972 -6.897 277 HB3 SER 33 3HB SER 33 14.754 9.355 -8.465 278 HG SER 33 HG SER 33 15.023 11.714 -7.964 279 H PHE 34 H PHE 34 11.085 10.968 -9.652 280 HA PHE 34 HA PHE 34 11.513 9.385 -12.082 281 HB2 PHE 34 2HB PHE 34 9.315 11.347 -11.389 282 HB3 PHE 34 3HB PHE 34 9.454 10.491 -12.922 283 HD1 PHE 34 HD1 PHE 34 9.202 8.023 -12.972 284 HD2 PHE 34 HD2 PHE 34 8.391 10.312 -9.477 285 HE1 PHE 34 HE1 PHE 34 7.918 6.141 -12.036 286 HE2 PHE 34 HE2 PHE 34 7.110 8.437 -8.537 287 HZ PHE 34 HZ PHE 34 6.872 6.344 -9.819 288 H ASN 35 H ASN 35 13.271 10.174 -13.030 289 HA ASN 35 HA ASN 35 14.658 11.516 -14.188 290 HB2 ASN 35 2HB ASN 35 12.347 13.467 -14.354 291 HB3 ASN 35 3HB ASN 35 13.790 13.470 -15.359 292 HD21 ASN 35 1HD2 ASN 35 10.690 12.123 -14.824 293 HD22 ASN 35 2HD2 ASN 35 10.646 11.106 -16.219 294 H GLY 36 H GLY 36 12.851 14.183 -12.742 295 HA2 GLY 36 2HA GLY 36 14.976 14.609 -10.781 296 HA3 GLY 36 3HA GLY 36 14.703 15.885 -11.963 297 H ALA 37 H ALA 37 12.911 13.856 -9.677 298 HA ALA 37 HA ALA 37 11.438 16.206 -8.767 299 HB1 ALA 37 3HB ALA 37 10.059 15.236 -10.543 300 HB2 ALA 37 1HB ALA 37 9.288 15.058 -8.968 301 HB3 ALA 37 2HB ALA 37 10.086 13.675 -9.720 302 HA PRO 38 HA PRO 38 11.829 14.470 -4.705 303 HB2 PRO 38 2HB PRO 38 9.179 14.605 -3.829 304 HB3 PRO 38 3HB PRO 38 10.376 15.897 -3.697 305 HG2 PRO 38 2HG PRO 38 8.223 15.507 -5.719 306 HG3 PRO 38 3HG PRO 38 8.833 17.008 -5.000 307 HD2 PRO 38 2HD PRO 38 9.499 16.280 -7.490 308 HD3 PRO 38 3HD PRO 38 10.661 17.095 -6.421 309 H ALA 39 H ALA 39 12.000 12.429 -4.076 310 HA ALA 39 HA ALA 39 11.040 10.298 -5.574 311 HB1 ALA 39 3HB ALA 39 11.910 8.860 -3.838 312 HB2 ALA 39 1HB ALA 39 11.970 10.216 -2.711 313 HB3 ALA 39 2HB ALA 39 13.022 10.200 -4.125 314 H LYS 40 H LYS 40 9.026 9.735 -5.835 315 HA LYS 40 HA LYS 40 7.009 10.361 -3.863 316 HB2 LYS 40 2HB LYS 40 6.757 10.590 -6.387 317 HB3 LYS 40 3HB LYS 40 6.652 8.837 -6.445 318 HG2 LYS 40 2HG LYS 40 4.444 9.633 -6.482 319 HG3 LYS 40 3HG LYS 40 4.712 9.020 -4.852 320 HD2 LYS 40 2HD LYS 40 3.546 11.081 -4.637 321 HD3 LYS 40 3HD LYS 40 5.217 11.387 -4.156 322 HE2 LYS 40 2HE LYS 40 4.316 11.871 -6.976 323 HE3 LYS 40 3HE LYS 40 4.014 13.070 -5.722 324 HZ1 LYS 40 3HZ LYS 40 6.727 12.000 -6.193 325 HZ2 LYS 40 1HZ LYS 40 6.276 13.435 -5.414 326 HZ3 LYS 40 2HZ LYS 40 6.127 13.296 -7.099 327 H PHE 41 H PHE 41 5.646 8.829 -2.858 328 HA PHE 41 HA PHE 41 7.006 6.426 -2.076 329 HB2 PHE 41 2HB PHE 41 4.219 7.378 -1.379 330 HB3 PHE 41 3HB PHE 41 5.115 6.103 -0.561 331 HD1 PHE 41 HD2 PHE 41 7.032 6.647 0.854 332 HD2 PHE 41 HD1 PHE 41 4.667 9.688 -0.952 333 HE1 PHE 41 HE2 PHE 41 7.983 8.302 2.405 334 HE2 PHE 41 HE1 PHE 41 5.618 11.350 0.592 335 HZ PHE 41 HZ PHE 41 7.278 10.659 2.274 336 H ASP 42 H ASP 42 6.725 4.430 -2.879 337 HA ASP 42 HA ASP 42 4.327 3.892 -4.487 338 HB2 ASP 42 2HB ASP 42 6.321 4.564 -5.922 339 HB3 ASP 42 3HB ASP 42 7.102 3.087 -5.375 340 H ILE 43 H ILE 43 3.384 2.097 -3.821 341 HA ILE 43 HA ILE 43 4.948 0.087 -2.349 342 HB ILE 43 HB ILE 43 1.940 0.339 -2.600 343 HG12 ILE 43 2HG1 ILE 43 3.761 1.112 -0.309 344 HG13 ILE 43 3HG1 ILE 43 2.914 2.235 -1.368 345 HG21 ILE 43 1HG2 ILE 43 1.918 -1.244 -0.692 346 HG22 ILE 43 2HG2 ILE 43 3.665 -1.415 -0.860 347 HG23 ILE 43 3HG2 ILE 43 2.598 -1.933 -2.165 348 HD11 ILE 43 3HD1 ILE 43 1.632 0.283 0.529 349 HD12 ILE 43 1HD1 ILE 43 0.776 1.395 -0.540 350 HD13 ILE 43 2HD1 ILE 43 1.784 2.025 0.762 351 H ARG 44 H ARG 44 5.761 -1.438 -3.713 352 HA ARG 44 HA ARG 44 4.019 -2.414 -5.862 353 HB2 ARG 44 2HB ARG 44 5.793 -2.175 -7.525 354 HB3 ARG 44 3HB ARG 44 5.370 -0.612 -6.839 355 HG2 ARG 44 2HG ARG 44 7.331 -0.673 -5.416 356 HG3 ARG 44 3HG ARG 44 7.742 -2.276 -6.024 357 HD2 ARG 44 2HD ARG 44 9.087 -0.581 -7.121 358 HD3 ARG 44 3HD ARG 44 7.995 -1.344 -8.277 359 HE ARG 44 HE ARG 44 6.671 0.892 -7.334 360 HH11 ARG 44 1HH1 ARG 44 9.689 0.255 -9.009 361 HH12 ARG 44 2HH1 ARG 44 9.668 1.750 -9.877 362 HH21 ARG 44 1HH2 ARG 44 6.645 2.860 -8.472 363 HH22 ARG 44 2HH2 ARG 44 7.930 3.235 -9.576 364 H ALA 45 H ALA 45 4.555 -4.428 -6.711 365 HA ALA 45 HA ALA 45 6.520 -6.000 -5.207 366 HB1 ALA 45 3HB ALA 45 4.477 -6.884 -7.252 367 HB2 ALA 45 1HB ALA 45 4.265 -6.955 -5.498 368 HB3 ALA 45 2HB ALA 45 5.503 -7.941 -6.277 369 H TRP 46 H TRP 46 8.512 -6.258 -6.081 370 HA TRP 46 HA TRP 46 8.750 -5.674 -8.947 371 HB2 TRP 46 2HB TRP 46 11.095 -5.064 -8.530 372 HB3 TRP 46 3HB TRP 46 9.970 -4.063 -7.631 373 HD1 TRP 46 HD1 TRP 46 9.850 -4.531 -4.919 374 HE1 TRP 46 HE1 TRP 46 11.710 -5.326 -3.312 375 HE3 TRP 46 HE3 TRP 46 13.077 -6.522 -8.352 376 HZ2 TRP 46 HZ2 TRP 46 14.203 -6.633 -3.496 377 HZ3 TRP 46 HZ3 TRP 46 15.179 -7.519 -7.552 378 HH2 TRP 46 HH2 TRP 46 15.727 -7.571 -5.177 379 H SER 47 H SER 47 10.947 -6.724 -9.795 380 HA SER 47 HA SER 47 10.851 -9.573 -9.133 381 HB2 SER 47 2HB SER 47 10.478 -10.037 -11.615 382 HB3 SER 47 3HB SER 47 9.085 -9.395 -10.741 383 HG SER 47 HG SER 47 10.353 -7.286 -11.574 384 HA PRO 48 HA PRO 48 15.081 -9.479 -10.399 385 HB2 PRO 48 2HB PRO 48 15.491 -11.788 -11.740 386 HB3 PRO 48 3HB PRO 48 15.180 -11.744 -10.001 387 HG2 PRO 48 2HG PRO 48 13.319 -12.388 -12.248 388 HG3 PRO 48 3HG PRO 48 13.466 -13.155 -10.655 389 HD2 PRO 48 2HD PRO 48 11.539 -11.319 -11.296 390 HD3 PRO 48 3HD PRO 48 12.128 -11.594 -9.649 391 H ASP 49 H ASP 49 12.704 -9.503 -12.845 392 HA ASP 49 HA ASP 49 14.724 -8.820 -14.878 393 HB2 ASP 49 2HB ASP 49 12.104 -10.272 -15.182 394 HB3 ASP 49 3HB ASP 49 12.948 -9.556 -16.549 395 H HIS 50 H HIS 50 11.705 -7.942 -13.398 396 HA HIS 50 HA HIS 50 10.432 -6.064 -13.452 397 HB2 HIS 50 2HB HIS 50 12.563 -4.773 -13.576 398 HB3 HIS 50 3HB HIS 50 12.506 -4.891 -15.330 399 HD1 HIS 50 HD1 HIS 50 11.373 -3.015 -16.502 400 HD2 HIS 50 HD2 HIS 50 10.224 -3.283 -12.510 401 HE1 HIS 50 HE1 HIS 50 9.915 -1.010 -16.080 402 HE2 HIS 50 HE2 HIS 50 9.080 -1.294 -13.713 403 H THR 51 H THR 51 10.889 -8.181 -15.813 404 HA THR 51 HA THR 51 9.448 -6.987 -17.971 405 HB THR 51 HB THR 51 9.872 -9.940 -17.485 406 HG1 THR 51 HG1 THR 51 11.821 -9.663 -18.626 407 HG21 THR 51 3HG2 THR 51 9.744 -10.083 -19.927 408 HG22 THR 51 1HG2 THR 51 9.486 -8.341 -20.025 409 HG23 THR 51 2HG2 THR 51 8.273 -9.373 -19.265 410 H LYS 52 H LYS 52 7.646 -6.167 -16.945 411 HA LYS 52 HA LYS 52 5.275 -7.561 -17.088 412 HB2 LYS 52 2HB LYS 52 4.649 -7.848 -14.713 413 HB3 LYS 52 3HB LYS 52 6.002 -8.879 -15.154 414 HG2 LYS 52 2HG LYS 52 7.550 -7.467 -14.029 415 HG3 LYS 52 3HG LYS 52 6.325 -6.221 -13.785 416 HD2 LYS 52 2HD LYS 52 5.069 -7.761 -12.343 417 HD3 LYS 52 3HD LYS 52 6.319 -8.986 -12.574 418 HE2 LYS 52 2HE LYS 52 7.948 -7.618 -11.474 419 HE3 LYS 52 3HE LYS 52 6.829 -6.258 -11.404 420 HZ1 LYS 52 3HZ LYS 52 6.512 -8.846 -9.979 421 HZ2 LYS 52 1HZ LYS 52 5.402 -7.567 -9.944 422 HZ3 LYS 52 2HZ LYS 52 6.943 -7.364 -9.280 423 H MET 53 H MET 53 3.532 -6.290 -15.622 424 HA MET 53 HA MET 53 4.072 -3.479 -16.085 425 HB2 MET 53 2HB MET 53 1.600 -4.958 -15.199 426 HB3 MET 53 3HB MET 53 1.685 -3.203 -15.235 427 HG2 MET 53 2HG MET 53 2.256 -3.334 -17.648 428 HG3 MET 53 3HG MET 53 1.991 -5.075 -17.570 429 HE1 MET 53 3HE MET 53 0.310 -4.740 -19.625 430 HE2 MET 53 1HE MET 53 0.490 -2.988 -19.588 431 HE3 MET 53 2HE MET 53 -1.119 -3.709 -19.565 432 H GLY 54 H GLY 54 4.107 -5.712 -13.482 433 HA2 GLY 54 2HA GLY 54 5.651 -4.913 -11.705 434 HA3 GLY 54 3HA GLY 54 4.670 -3.460 -11.661 435 H LYS 55 H LYS 55 2.184 -4.144 -11.416 436 HA LYS 55 HA LYS 55 0.635 -4.698 -9.870 437 HB2 LYS 55 2HB LYS 55 2.550 -6.942 -9.410 438 HB3 LYS 55 3HB LYS 55 1.330 -6.620 -8.185 439 HG2 LYS 55 2HG LYS 55 0.669 -7.001 -11.087 440 HG3 LYS 55 3HG LYS 55 0.721 -8.331 -9.926 441 HD2 LYS 55 2HD LYS 55 -0.992 -7.244 -8.578 442 HD3 LYS 55 3HD LYS 55 -1.011 -5.868 -9.682 443 HE2 LYS 55 2HE LYS 55 -2.891 -7.396 -10.074 444 HE3 LYS 55 3HE LYS 55 -1.827 -7.278 -11.473 445 HZ1 LYS 55 3HZ LYS 55 -0.922 -9.386 -11.034 446 HZ2 LYS 55 1HZ LYS 55 -2.594 -9.570 -10.850 447 HZ3 LYS 55 2HZ LYS 55 -1.597 -9.464 -9.481 448 H GLY 56 H GLY 56 1.094 -2.641 -9.197 449 HA2 GLY 56 2HA GLY 56 1.626 -2.348 -6.444 450 HA3 GLY 56 3HA GLY 56 3.024 -1.822 -7.374 451 H ILE 57 H ILE 57 1.853 0.090 -5.906 452 HA ILE 57 HA ILE 57 0.554 1.744 -7.923 453 HB ILE 57 HB ILE 57 -1.283 0.583 -6.743 454 HG12 ILE 57 2HG1 ILE 57 -1.223 3.516 -6.030 455 HG13 ILE 57 3HG1 ILE 57 -1.519 2.912 -7.656 456 HG21 ILE 57 1HG2 ILE 57 -0.248 0.260 -4.582 457 HG22 ILE 57 2HG2 ILE 57 -1.766 1.136 -4.397 458 HG23 ILE 57 3HG2 ILE 57 -0.232 2.000 -4.301 459 HD11 ILE 57 3HD1 ILE 57 -3.515 1.767 -6.889 460 HD12 ILE 57 1HD1 ILE 57 -3.588 3.487 -6.494 461 HD13 ILE 57 2HD1 ILE 57 -3.205 2.308 -5.239 462 H THR 58 H THR 58 0.931 3.896 -7.700 463 HA THR 58 HA THR 58 2.962 4.671 -5.777 464 HB THR 58 HB THR 58 1.762 6.397 -7.939 465 HG1 THR 58 HG1 THR 58 3.819 4.422 -8.107 466 HG21 THR 58 3HG2 THR 58 3.949 7.488 -7.885 467 HG22 THR 58 1HG2 THR 58 4.483 6.367 -6.632 468 HG23 THR 58 2HG2 THR 58 3.192 7.518 -6.292 469 H LEU 59 H LEU 59 2.659 6.094 -4.120 470 HA LEU 59 HA LEU 59 -0.068 7.162 -3.761 471 HB2 LEU 59 2HB LEU 59 1.835 6.142 -1.654 472 HB3 LEU 59 3HB LEU 59 0.341 6.988 -1.308 473 HG LEU 59 HG LEU 59 -0.771 5.067 -2.669 474 HD11 LEU 59 1HD1 LEU 59 0.396 2.935 -2.493 475 HD12 LEU 59 2HD1 LEU 59 1.818 3.761 -1.857 476 HD13 LEU 59 3HD1 LEU 59 1.285 4.071 -3.510 477 HD21 LEU 59 3HD2 LEU 59 -1.109 5.471 -0.290 478 HD22 LEU 59 1HD2 LEU 59 0.381 4.602 0.077 479 HD23 LEU 59 2HD2 LEU 59 -0.987 3.745 -0.631 480 H SER 60 H SER 60 -0.272 9.171 -2.719 481 HA SER 60 HA SER 60 2.013 10.930 -3.009 482 HB2 SER 60 2HB SER 60 -0.205 11.722 -3.696 483 HB3 SER 60 3HB SER 60 -0.817 11.472 -2.064 484 HG SER 60 HG SER 60 0.367 13.629 -3.059 485 H ASN 61 H ASN 61 2.595 12.413 -1.226 486 HA ASN 61 HA ASN 61 3.417 11.079 1.089 487 HB2 ASN 61 2HB ASN 61 4.486 13.139 0.314 488 HB3 ASN 61 3HB ASN 61 3.007 14.045 0.608 489 HD21 ASN 61 1HD2 ASN 61 3.778 15.447 2.066 490 HD22 ASN 61 2HD2 ASN 61 4.352 14.996 3.640 491 H GLU 62 H GLU 62 0.644 13.149 0.462 492 HA GLU 62 HA GLU 62 -0.365 13.363 3.064 493 HB2 GLU 62 2HB GLU 62 -0.995 14.518 0.769 494 HB3 GLU 62 3HB GLU 62 -2.187 13.233 0.690 495 HG2 GLU 62 2HG GLU 62 -1.931 15.172 2.976 496 HG3 GLU 62 3HG GLU 62 -3.028 15.376 1.612 497 H GLU 63 H GLU 63 -1.090 11.041 0.478 498 HA GLU 63 HA GLU 63 -3.024 9.543 1.882 499 HB2 GLU 63 2HB GLU 63 -1.171 8.560 -0.292 500 HB3 GLU 63 3HB GLU 63 -2.717 7.864 0.169 501 HG2 GLU 63 2HG GLU 63 -3.847 9.897 -0.592 502 HG3 GLU 63 3HG GLU 63 -2.290 10.567 -1.079 503 H PHE 64 H PHE 64 0.454 9.178 1.472 504 HA PHE 64 HA PHE 64 0.790 6.669 2.631 505 HB2 PHE 64 2HB PHE 64 2.433 8.276 1.361 506 HB3 PHE 64 3HB PHE 64 2.844 8.821 2.984 507 HD1 PHE 64 HD1 PHE 64 2.636 5.787 0.854 508 HD2 PHE 64 HD2 PHE 64 4.380 7.629 4.272 509 HE1 PHE 64 HE1 PHE 64 4.195 3.899 1.075 510 HE2 PHE 64 HE2 PHE 64 5.937 5.739 4.498 511 HZ PHE 64 HZ PHE 64 5.849 3.876 2.900 512 H GLN 65 H GLN 65 1.119 9.887 4.133 513 HA GLN 65 HA GLN 65 1.580 8.971 6.752 514 HB2 GLN 65 2HB GLN 65 2.081 11.246 6.152 515 HB3 GLN 65 3HB GLN 65 0.407 11.557 5.713 516 HG2 GLN 65 2HG GLN 65 0.931 12.578 7.833 517 HG3 GLN 65 3HG GLN 65 -0.252 11.291 8.051 518 HE21 GLN 65 1HE2 GLN 65 0.219 11.003 10.193 519 HE22 GLN 65 2HE2 GLN 65 1.700 10.282 10.738 520 H THR 66 H THR 66 -1.404 9.646 4.991 521 HA THR 66 HA THR 66 -3.198 9.580 7.131 522 HB THR 66 HB THR 66 -3.656 8.766 4.254 523 HG1 THR 66 HG1 THR 66 -3.093 10.908 4.309 524 HG21 THR 66 3HG2 THR 66 -5.417 7.882 5.705 525 HG22 THR 66 1HG2 THR 66 -6.028 9.202 4.709 526 HG23 THR 66 2HG2 THR 66 -5.651 9.484 6.409 527 H MET 67 H MET 67 -2.048 6.908 5.046 528 HA MET 67 HA MET 67 -3.739 4.980 6.269 529 HB2 MET 67 2HB MET 67 -2.583 3.322 5.028 530 HB3 MET 67 3HB MET 67 -2.657 4.743 3.998 531 HG2 MET 67 2HG MET 67 -0.352 5.274 4.516 532 HG3 MET 67 3HG MET 67 -0.271 3.909 5.631 533 HE1 MET 67 3HE MET 67 2.015 2.565 2.836 534 HE2 MET 67 1HE MET 67 1.808 2.836 4.566 535 HE3 MET 67 2HE MET 67 1.938 4.210 3.468 536 H VAL 68 H VAL 68 -0.478 6.112 6.930 537 HA VAL 68 HA VAL 68 0.336 4.156 8.746 538 HB VAL 68 HB VAL 68 0.976 7.113 8.748 539 HG11 VAL 68 1HG1 VAL 68 2.943 6.508 10.089 540 HG12 VAL 68 2HG1 VAL 68 2.352 4.850 10.194 541 HG13 VAL 68 3HG1 VAL 68 1.435 6.160 10.938 542 HG21 VAL 68 3HG2 VAL 68 3.050 6.427 7.643 543 HG22 VAL 68 1HG2 VAL 68 1.635 5.977 6.695 544 HG23 VAL 68 2HG2 VAL 68 2.491 4.754 7.635 545 H ASP 69 H ASP 69 -1.384 7.207 9.364 546 HA ASP 69 HA ASP 69 -1.622 6.816 12.156 547 HB2 ASP 69 2HB ASP 69 -1.839 9.024 11.115 548 HB3 ASP 69 3HB ASP 69 -3.310 8.507 10.299 549 H ALA 70 H ALA 70 -3.735 6.024 9.442 550 HA ALA 70 HA ALA 70 -6.037 5.376 10.905 551 HB1 ALA 70 3HB ALA 70 -6.018 5.741 8.484 552 HB2 ALA 70 1HB ALA 70 -6.777 4.209 8.914 553 HB3 ALA 70 2HB ALA 70 -5.135 4.229 8.269 554 H PHE 71 H PHE 71 -3.311 3.351 9.860 555 HA PHE 71 HA PHE 71 -4.487 1.042 11.170 556 HB2 PHE 71 2HB PHE 71 -1.889 1.334 9.649 557 HB3 PHE 71 3HB PHE 71 -2.526 -0.184 10.284 558 HD1 PHE 71 HD2 PHE 71 -5.128 -0.524 9.605 559 HD2 PHE 71 HD1 PHE 71 -2.228 1.684 7.410 560 HE1 PHE 71 HE2 PHE 71 -6.462 -0.813 7.559 561 HE2 PHE 71 HE1 PHE 71 -3.559 1.404 5.362 562 HZ PHE 71 HZ PHE 71 -5.678 0.153 5.437 563 H LYS 72 H LYS 72 -2.453 3.589 11.996 564 HA LYS 72 HA LYS 72 -0.960 2.399 14.081 565 HB2 LYS 72 2HB LYS 72 -0.534 4.662 13.180 566 HB3 LYS 72 3HB LYS 72 -2.062 5.212 13.849 567 HG2 LYS 72 2HG LYS 72 -1.159 4.610 16.116 568 HG3 LYS 72 3HG LYS 72 0.405 4.362 15.332 569 HD2 LYS 72 2HD LYS 72 0.328 6.663 14.484 570 HD3 LYS 72 3HD LYS 72 -1.212 6.909 15.307 571 HE2 LYS 72 2HE LYS 72 -0.017 6.321 17.448 572 HE3 LYS 72 3HE LYS 72 1.490 6.418 16.535 573 HZ1 LYS 72 3HZ LYS 72 1.093 8.511 17.592 574 HZ2 LYS 72 1HZ LYS 72 -0.477 8.599 16.968 575 HZ3 LYS 72 2HZ LYS 72 0.858 8.725 15.927 576 H GLY 73 H GLY 73 -4.228 3.607 13.780 577 HA2 GLY 73 2HA GLY 73 -4.781 2.952 16.586 578 HA3 GLY 73 3HA GLY 73 -5.841 3.849 15.509 579 H ASN 74 H ASN 74 -5.877 2.079 13.323 580 HA ASN 74 HA ASN 74 -7.563 -0.032 14.478 581 HB2 ASN 74 2HB ASN 74 -7.441 1.025 11.642 582 HB3 ASN 74 3HB ASN 74 -8.558 -0.204 12.226 583 HD21 ASN 74 1HD2 ASN 74 -7.723 3.157 12.248 584 HD22 ASN 74 2HD2 ASN 74 -9.212 3.734 12.917 585 H LEU 75 H LEU 75 -7.460 -2.181 13.616 586 HA LEU 75 HA LEU 75 -6.490 -4.066 12.822 587 HB2 LEU 75 2HB LEU 75 -6.082 -3.021 10.711 588 HB3 LEU 75 3HB LEU 75 -4.708 -2.136 11.346 589 HG LEU 75 HG LEU 75 -3.424 -4.205 11.539 590 HD11 LEU 75 1HD1 LEU 75 -5.302 -5.708 12.035 591 HD12 LEU 75 2HD1 LEU 75 -4.280 -6.315 10.733 592 HD13 LEU 75 3HD1 LEU 75 -5.836 -5.573 10.359 593 HD21 LEU 75 3HD2 LEU 75 -3.143 -4.691 9.185 594 HD22 LEU 75 1HD2 LEU 75 -3.409 -2.960 9.405 595 HD23 LEU 75 2HD2 LEU 75 -4.722 -3.985 8.826 596 H GLU 76 H GLU 76 -4.219 -1.621 13.991 597 HA GLU 76 HA GLU 76 -2.297 -3.462 14.969 598 HB2 GLU 76 2HB GLU 76 -2.177 -0.864 14.569 599 HB3 GLU 76 3HB GLU 76 -2.745 -0.780 16.230 600 HG2 GLU 76 2HG GLU 76 -0.301 -2.318 15.407 601 HG3 GLU 76 3HG GLU 76 -0.261 -0.629 15.901 602 H HIS 77 H HIS 77 -3.069 -5.043 16.217 603 HA HIS 77 HA HIS 77 -4.786 -4.335 18.503 604 HB2 HIS 77 2HB HIS 77 -5.912 -5.609 16.679 605 HB3 HIS 77 3HB HIS 77 -4.750 -6.907 16.900 606 HD1 HIS 77 HD1 HIS 77 -7.604 -5.194 18.703 607 HD2 HIS 77 HD2 HIS 77 -5.426 -8.740 18.823 608 HE1 HIS 77 HE1 HIS 77 -8.798 -6.678 20.356 609 HE2 HIS 77 HE2 HIS 77 -7.491 -8.835 20.382 610 H HIS 78 H HIS 78 -1.723 -4.806 18.070 611 HA HIS 78 HA HIS 78 -1.388 -7.144 19.805 612 HB2 HIS 78 2HB HIS 78 0.630 -5.592 18.184 613 HB3 HIS 78 3HB HIS 78 1.042 -6.929 19.254 614 HD1 HIS 78 HD1 HIS 78 1.446 -6.855 16.099 615 HD2 HIS 78 HD2 HIS 78 -1.617 -8.779 18.158 616 HE1 HIS 78 HE1 HIS 78 0.621 -8.665 14.559 617 HE2 HIS 78 HE2 HIS 78 -1.276 -9.775 15.788 618 H HIS 79 H HIS 79 -2.217 -6.042 21.629 619 HA HIS 79 HA HIS 79 -0.103 -4.522 23.006 620 HB2 HIS 79 2HB HIS 79 -3.090 -4.061 23.180 621 HB3 HIS 79 3HB HIS 79 -1.924 -3.363 24.298 622 HD1 HIS 79 HD1 HIS 79 -1.100 -1.118 23.683 623 HD2 HIS 79 HD2 HIS 79 -2.520 -3.209 20.388 624 HE1 HIS 79 HE1 HIS 79 -0.957 0.487 21.747 625 HE2 HIS 79 HE2 HIS 79 -1.543 -0.914 19.734 626 H HIS 80 H HIS 80 -3.042 -6.456 23.419 627 HA HIS 80 HA HIS 80 -2.184 -7.403 26.004 628 HB2 HIS 80 2HB HIS 80 -4.620 -7.443 24.459 629 HB3 HIS 80 3HB HIS 80 -4.245 -9.064 25.043 630 HD1 HIS 80 HD1 HIS 80 -5.448 -9.498 27.154 631 HD2 HIS 80 HD2 HIS 80 -4.173 -5.542 26.870 632 HE1 HIS 80 HE1 HIS 80 -6.175 -8.386 29.297 633 HE2 HIS 80 HE2 HIS 80 -5.348 -6.008 29.124 634 H HIS 81 H HIS 81 -1.400 -9.406 26.499 635 HA HIS 81 HA HIS 81 -0.227 -10.908 24.287 636 HB2 HIS 81 2HB HIS 81 0.053 -11.221 27.288 637 HB3 HIS 81 3HB HIS 81 0.909 -12.197 26.097 638 HD1 HIS 81 HD1 HIS 81 2.954 -11.144 24.955 639 HD2 HIS 81 HD2 HIS 81 0.944 -8.552 27.518 640 HE1 HIS 81 HE1 HIS 81 4.443 -9.128 25.194 641 HE2 HIS 81 HE2 HIS 81 3.159 -7.531 26.662 642 H HIS 82 H HIS 82 -2.828 -10.993 26.503 643 HA HIS 82 HA HIS 82 -3.787 -13.442 25.235 644 HB2 HIS 82 2HB HIS 82 -4.722 -14.269 27.359 645 HB3 HIS 82 3HB HIS 82 -2.969 -14.166 27.426 646 HD1 HIS 82 HD1 HIS 82 -6.059 -12.904 29.045 647 HD2 HIS 82 HD2 HIS 82 -1.976 -12.096 29.120 648 HE1 HIS 82 HE1 HIS 82 -5.673 -11.540 31.122 649 HE2 HIS 82 HE2 HIS 82 -3.220 -10.946 31.079 650 H1 MET 1 1H MET 1 -26.154 -27.120 -5.518 651 H2 MET 1 2H MET 1 -25.681 -25.562 -5.980 652 H3 MET 1 3H MET 1 -24.760 -26.421 -4.847 653 HA MET 1 HA MET 1 -24.235 -28.085 -6.522 654 HB2 MET 1 2HB MET 1 -26.188 -27.753 -7.959 655 HB3 MET 1 3HB MET 1 -25.636 -26.130 -8.361 656 HG2 MET 1 2HG MET 1 -23.662 -27.066 -9.448 657 HG3 MET 1 3HG MET 1 -24.200 -28.692 -9.035 658 HE1 MET 1 3HE MET 1 -26.484 -25.918 -11.945 659 HE2 MET 1 1HE MET 1 -25.002 -25.451 -11.112 660 HE3 MET 1 2HE MET 1 -26.489 -25.689 -10.195 661 H LYS 2 H LYS 2 -22.127 -27.875 -6.660 662 HA LYS 2 HA LYS 2 -20.978 -25.375 -7.658 663 HB2 LYS 2 2HB LYS 2 -20.331 -26.670 -5.015 664 HB3 LYS 2 3HB LYS 2 -19.161 -25.661 -5.848 665 HG2 LYS 2 2HG LYS 2 -21.908 -24.773 -4.995 666 HG3 LYS 2 3HG LYS 2 -20.412 -24.445 -4.120 667 HD2 LYS 2 2HD LYS 2 -19.548 -23.256 -6.102 668 HD3 LYS 2 3HD LYS 2 -21.087 -23.536 -6.917 669 HE2 LYS 2 2HE LYS 2 -20.695 -21.980 -4.364 670 HE3 LYS 2 3HE LYS 2 -20.962 -21.286 -5.963 671 HZ1 LYS 2 3HZ LYS 2 -22.862 -22.911 -4.363 672 HZ2 LYS 2 1HZ LYS 2 -23.117 -22.511 -5.992 673 HZ3 LYS 2 2HZ LYS 2 -23.024 -21.292 -4.826 674 H LYS 3 H LYS 3 -20.020 -26.076 -9.451 675 HA LYS 3 HA LYS 3 -18.572 -28.617 -9.428 676 HB2 LYS 3 2HB LYS 3 -19.264 -26.693 -11.647 677 HB3 LYS 3 3HB LYS 3 -18.240 -28.100 -11.882 678 HG2 LYS 3 2HG LYS 3 -21.084 -28.190 -10.900 679 HG3 LYS 3 3HG LYS 3 -20.576 -28.468 -12.568 680 HD2 LYS 3 2HD LYS 3 -19.162 -30.342 -11.773 681 HD3 LYS 3 3HD LYS 3 -19.805 -30.097 -10.148 682 HE2 LYS 3 2HE LYS 3 -20.989 -31.902 -11.246 683 HE3 LYS 3 3HE LYS 3 -22.073 -30.534 -11.002 684 HZ1 LYS 3 3HZ LYS 3 -21.813 -29.918 -13.300 685 HZ2 LYS 3 1HZ LYS 3 -22.286 -31.544 -13.218 686 HZ3 LYS 3 2HZ LYS 3 -20.676 -31.149 -13.552 687 H MET 4 H MET 4 -17.833 -25.428 -10.822 688 HA MET 4 HA MET 4 -15.237 -25.504 -9.450 689 HB2 MET 4 2HB MET 4 -15.735 -25.174 -12.384 690 HB3 MET 4 3HB MET 4 -14.362 -24.367 -11.639 691 HG2 MET 4 2HG MET 4 -14.907 -27.329 -11.618 692 HG3 MET 4 3HG MET 4 -13.716 -26.492 -12.617 693 HE1 MET 4 3HE MET 4 -11.458 -28.422 -10.062 694 HE2 MET 4 1HE MET 4 -11.769 -28.093 -11.767 695 HE3 MET 4 2HE MET 4 -12.958 -28.977 -10.808 696 H ALA 5 H ALA 5 -17.821 -23.671 -10.918 697 HA ALA 5 HA ALA 5 -18.439 -21.484 -10.818 698 HB1 ALA 5 3HB ALA 5 -16.868 -21.497 -8.238 699 HB2 ALA 5 1HB ALA 5 -18.543 -22.014 -8.413 700 HB3 ALA 5 2HB ALA 5 -18.105 -20.330 -8.704 701 H GLU 6 H GLU 6 -16.604 -19.465 -9.396 702 HA GLU 6 HA GLU 6 -14.257 -19.464 -11.070 703 HB2 GLU 6 2HB GLU 6 -14.712 -17.299 -12.098 704 HB3 GLU 6 3HB GLU 6 -15.924 -18.482 -12.565 705 HG2 GLU 6 2HG GLU 6 -17.433 -17.526 -10.838 706 HG3 GLU 6 3HG GLU 6 -16.227 -16.271 -10.547 707 H PHE 7 H PHE 7 -13.110 -17.189 -10.672 708 HA PHE 7 HA PHE 7 -12.603 -17.142 -7.869 709 HB2 PHE 7 2HB PHE 7 -11.622 -15.349 -10.099 710 HB3 PHE 7 3HB PHE 7 -11.058 -15.255 -8.432 711 HD1 PHE 7 HD2 PHE 7 -9.721 -17.060 -7.470 712 HD2 PHE 7 HD1 PHE 7 -10.892 -17.096 -11.559 713 HE1 PHE 7 HE2 PHE 7 -8.024 -18.778 -7.936 714 HE2 PHE 7 HE1 PHE 7 -9.197 -18.816 -12.032 715 HZ PHE 7 HZ PHE 7 -7.759 -19.659 -10.223 716 H THR 8 H THR 8 -14.183 -16.410 -6.629 717 HA THR 8 HA THR 8 -15.614 -13.980 -7.403 718 HB THR 8 HB THR 8 -16.225 -15.882 -5.129 719 HG1 THR 8 HG1 THR 8 -16.342 -16.661 -7.458 720 HG21 THR 8 3HG2 THR 8 -18.439 -14.836 -5.168 721 HG22 THR 8 1HG2 THR 8 -17.920 -13.765 -6.470 722 HG23 THR 8 2HG2 THR 8 -17.183 -13.632 -4.873 723 H PHE 9 H PHE 9 -14.894 -12.120 -6.609 724 HA PHE 9 HA PHE 9 -13.485 -12.143 -4.035 725 HB2 PHE 9 2HB PHE 9 -12.580 -9.931 -4.714 726 HB3 PHE 9 3HB PHE 9 -12.140 -11.213 -5.833 727 HD1 PHE 9 HD2 PHE 9 -13.447 -11.401 -8.008 728 HD2 PHE 9 HD1 PHE 9 -13.666 -8.003 -5.449 729 HE1 PHE 9 HE2 PHE 9 -14.332 -10.060 -9.869 730 HE2 PHE 9 HE1 PHE 9 -14.549 -6.656 -7.313 731 HZ PHE 9 HZ PHE 9 -14.884 -7.685 -9.524 732 H GLU 10 H GLU 10 -14.584 -11.509 -2.348 733 HA GLU 10 HA GLU 10 -16.973 -9.856 -2.726 734 HB2 GLU 10 2HB GLU 10 -16.033 -11.570 -0.423 735 HB3 GLU 10 3HB GLU 10 -17.444 -10.526 -0.338 736 HG2 GLU 10 2HG GLU 10 -17.104 -12.751 -2.337 737 HG3 GLU 10 3HG GLU 10 -17.958 -12.907 -0.801 738 H ILE 11 H ILE 11 -16.964 -7.774 -2.164 739 HA ILE 11 HA ILE 11 -14.627 -6.656 -0.873 740 HB ILE 11 HB ILE 11 -17.186 -5.256 -1.680 741 HG12 ILE 11 2HG1 ILE 11 -14.541 -5.478 -3.146 742 HG13 ILE 11 3HG1 ILE 11 -16.036 -6.285 -3.609 743 HG21 ILE 11 1HG2 ILE 11 -15.805 -3.215 -1.549 744 HG22 ILE 11 2HG2 ILE 11 -14.460 -4.183 -0.943 745 HG23 ILE 11 3HG2 ILE 11 -15.938 -4.032 0.007 746 HD11 ILE 11 3HD1 ILE 11 -15.577 -3.312 -3.539 747 HD12 ILE 11 1HD1 ILE 11 -17.081 -4.111 -3.997 748 HD13 ILE 11 2HD1 ILE 11 -15.632 -4.327 -4.980 749 H GLU 12 H GLU 12 -14.462 -7.012 1.221 750 HA GLU 12 HA GLU 12 -16.746 -7.535 2.865 751 HB2 GLU 12 2HB GLU 12 -13.822 -7.232 3.556 752 HB3 GLU 12 3HB GLU 12 -15.064 -7.792 4.667 753 HG2 GLU 12 2HG GLU 12 -14.335 -9.158 2.091 754 HG3 GLU 12 3HG GLU 12 -13.723 -9.608 3.683 755 H GLU 13 H GLU 13 -14.110 -5.165 3.235 756 HA GLU 13 HA GLU 13 -15.987 -3.174 4.204 757 HB2 GLU 13 2HB GLU 13 -15.652 -4.430 6.214 758 HB3 GLU 13 3HB GLU 13 -13.916 -4.496 5.957 759 HG2 GLU 13 2HG GLU 13 -13.713 -2.145 6.411 760 HG3 GLU 13 3HG GLU 13 -15.466 -1.982 6.529 761 H HIS 14 H HIS 14 -15.319 -1.187 3.665 762 HA HIS 14 HA HIS 14 -12.685 -0.820 2.515 763 HB2 HIS 14 2HB HIS 14 -14.930 1.157 3.012 764 HB3 HIS 14 3HB HIS 14 -13.433 1.537 2.169 765 HD1 HIS 14 HD1 HIS 14 -13.187 0.737 -0.261 766 HD2 HIS 14 HD2 HIS 14 -16.767 -0.411 1.546 767 HE1 HIS 14 HE1 HIS 14 -14.658 -0.121 -2.122 768 HE2 HIS 14 HE2 HIS 14 -16.772 -0.917 -0.989 769 H LEU 15 H LEU 15 -10.961 -0.387 3.716 770 HA LEU 15 HA LEU 15 -11.200 0.036 6.521 771 HB2 LEU 15 2HB LEU 15 -8.715 0.297 4.826 772 HB3 LEU 15 3HB LEU 15 -8.791 -0.017 6.550 773 HG LEU 15 HG LEU 15 -9.749 -1.917 4.402 774 HD11 LEU 15 1HD1 LEU 15 -7.266 -1.998 6.107 775 HD12 LEU 15 2HD1 LEU 15 -7.325 -1.657 4.377 776 HD13 LEU 15 3HD1 LEU 15 -7.794 -3.248 4.980 777 HD21 LEU 15 3HD2 LEU 15 -10.970 -2.180 6.490 778 HD22 LEU 15 1HD2 LEU 15 -9.450 -2.277 7.380 779 HD23 LEU 15 2HD2 LEU 15 -9.878 -3.545 6.228 780 H LEU 16 H LEU 16 -9.789 2.036 3.921 781 HA LEU 16 HA LEU 16 -11.023 4.395 4.933 782 HB2 LEU 16 2HB LEU 16 -9.119 5.667 5.588 783 HB3 LEU 16 3HB LEU 16 -9.100 4.179 6.514 784 HG LEU 16 HG LEU 16 -7.493 4.284 4.001 785 HD11 LEU 16 1HD1 LEU 16 -5.616 5.286 5.195 786 HD12 LEU 16 2HD1 LEU 16 -6.639 5.541 6.608 787 HD13 LEU 16 3HD1 LEU 16 -6.976 6.405 5.107 788 HD21 LEU 16 3HD2 LEU 16 -7.664 2.218 5.304 789 HD22 LEU 16 1HD2 LEU 16 -7.034 3.062 6.720 790 HD23 LEU 16 2HD2 LEU 16 -6.016 2.848 5.297 791 H THR 17 H THR 17 -10.795 6.177 3.551 792 HA THR 17 HA THR 17 -9.747 5.528 0.892 793 HB THR 17 HB THR 17 -11.421 7.908 1.723 794 HG1 THR 17 HG1 THR 17 -12.169 5.412 1.706 795 HG21 THR 17 3HG2 THR 17 -10.226 8.197 -0.395 796 HG22 THR 17 1HG2 THR 17 -11.962 8.038 -0.667 797 HG23 THR 17 2HG2 THR 17 -10.891 6.672 -0.983 798 H LEU 18 H LEU 18 -8.048 6.646 -0.005 799 HA LEU 18 HA LEU 18 -6.558 8.354 1.830 800 HB2 LEU 18 2HB LEU 18 -5.764 7.191 -0.843 801 HB3 LEU 18 3HB LEU 18 -4.706 8.085 0.234 802 HG LEU 18 HG LEU 18 -5.994 5.428 0.883 803 HD11 LEU 18 1HD1 LEU 18 -3.739 4.524 0.668 804 HD12 LEU 18 2HD1 LEU 18 -3.147 6.104 0.162 805 HD13 LEU 18 3HD1 LEU 18 -4.293 5.228 -0.851 806 HD21 LEU 18 3HD2 LEU 18 -3.964 7.078 2.387 807 HD22 LEU 18 1HD2 LEU 18 -4.486 5.449 2.818 808 HD23 LEU 18 2HD2 LEU 18 -5.636 6.785 2.868 809 H SER 19 H SER 19 -7.055 8.477 -1.708 810 HA SER 19 HA SER 19 -8.320 11.022 -1.660 811 HB2 SER 19 2HB SER 19 -6.589 12.459 -2.497 812 HB3 SER 19 3HB SER 19 -5.949 11.679 -1.052 813 HG SER 19 HG SER 19 -4.975 10.113 -2.552 814 H GLU 20 H GLU 20 -8.023 12.018 -4.073 815 HA GLU 20 HA GLU 20 -8.150 9.708 -5.887 816 HB2 GLU 20 2HB GLU 20 -9.705 10.908 -7.285 817 HB3 GLU 20 3HB GLU 20 -10.322 10.867 -5.641 818 HG2 GLU 20 2HG GLU 20 -9.620 13.153 -5.293 819 HG3 GLU 20 3HG GLU 20 -8.901 13.194 -6.903 820 H ASN 21 H ASN 21 -6.966 9.701 -7.651 821 HA ASN 21 HA ASN 21 -4.919 11.763 -7.931 822 HB2 ASN 21 2HB ASN 21 -4.149 9.451 -7.748 823 HB3 ASN 21 3HB ASN 21 -5.158 8.979 -9.110 824 HD21 ASN 21 1HD2 ASN 21 -4.481 9.425 -11.178 825 HD22 ASN 21 2HD2 ASN 21 -2.881 9.982 -11.545 826 H GLU 22 H GLU 22 -4.616 12.917 -9.761 827 HA GLU 22 HA GLU 22 -5.147 14.059 -11.641 828 HB2 GLU 22 2HB GLU 22 -4.674 11.878 -12.713 829 HB3 GLU 22 3HB GLU 22 -6.360 11.425 -12.520 830 HG2 GLU 22 2HG GLU 22 -7.058 13.106 -14.060 831 HG3 GLU 22 3HG GLU 22 -5.435 13.792 -14.124 832 H LYS 23 H LYS 23 -7.983 12.090 -12.134 833 HA LYS 23 HA LYS 23 -9.679 13.721 -10.507 834 HB2 LYS 23 2HB LYS 23 -9.469 15.134 -12.538 835 HB3 LYS 23 3HB LYS 23 -10.081 13.796 -13.506 836 HG2 LYS 23 2HG LYS 23 -12.202 13.892 -12.447 837 HG3 LYS 23 3HG LYS 23 -11.608 15.019 -11.228 838 HD2 LYS 23 2HD LYS 23 -11.210 16.677 -13.031 839 HD3 LYS 23 3HD LYS 23 -11.958 15.556 -14.172 840 HE2 LYS 23 2HE LYS 23 -13.543 17.255 -13.379 841 HE3 LYS 23 3HE LYS 23 -14.032 15.623 -12.918 842 HZ1 LYS 23 3HZ LYS 23 -14.303 17.179 -11.088 843 HZ2 LYS 23 1HZ LYS 23 -12.658 17.580 -11.150 844 HZ3 LYS 23 2HZ LYS 23 -13.131 16.016 -10.706 845 H GLY 24 H GLY 24 -10.763 12.153 -9.540 846 HA2 GLY 24 2HA GLY 24 -12.519 10.594 -9.515 847 HA3 GLY 24 3HA GLY 24 -12.266 10.305 -11.227 848 H TRP 25 H TRP 25 -9.231 9.992 -10.486 849 HA TRP 25 HA TRP 25 -9.435 7.118 -10.276 850 HB2 TRP 25 2HB TRP 25 -6.993 8.910 -10.276 851 HB3 TRP 25 3HB TRP 25 -6.957 7.155 -10.378 852 HD1 TRP 25 HD1 TRP 25 -8.346 10.143 -12.425 853 HE1 TRP 25 HE1 TRP 25 -8.183 9.532 -14.915 854 HE3 TRP 25 HE3 TRP 25 -6.602 5.366 -11.963 855 HZ2 TRP 25 HZ2 TRP 25 -7.422 7.308 -16.480 856 HZ3 TRP 25 HZ3 TRP 25 -6.175 4.065 -14.007 857 HH2 TRP 25 HH2 TRP 25 -6.576 5.017 -16.216 858 H THR 26 H THR 26 -10.382 6.841 -8.199 859 HA THR 26 HA THR 26 -9.155 8.226 -5.971 860 HB THR 26 HB THR 26 -11.467 6.284 -5.904 861 HG1 THR 26 HG1 THR 26 -11.513 8.374 -7.299 862 HG21 THR 26 3HG2 THR 26 -10.619 8.511 -4.043 863 HG22 THR 26 1HG2 THR 26 -10.487 6.782 -3.723 864 HG23 THR 26 2HG2 THR 26 -12.076 7.529 -3.869 865 H LYS 27 H LYS 27 -7.982 7.340 -4.392 866 HA LYS 27 HA LYS 27 -7.300 4.487 -4.655 867 HB2 LYS 27 2HB LYS 27 -5.437 6.078 -5.157 868 HB3 LYS 27 3HB LYS 27 -5.592 6.715 -3.523 869 HG2 LYS 27 2HG LYS 27 -5.143 4.385 -2.691 870 HG3 LYS 27 3HG LYS 27 -4.732 3.957 -4.349 871 HD2 LYS 27 2HD LYS 27 -3.381 6.060 -2.658 872 HD3 LYS 27 3HD LYS 27 -2.728 4.472 -3.062 873 HE2 LYS 27 2HE LYS 27 -1.668 5.778 -4.616 874 HE3 LYS 27 3HE LYS 27 -3.098 5.292 -5.521 875 HZ1 LYS 27 3HZ LYS 27 -2.741 7.868 -4.076 876 HZ2 LYS 27 1HZ LYS 27 -4.132 7.403 -4.926 877 HZ3 LYS 27 2HZ LYS 27 -2.680 7.648 -5.756 878 H GLU 28 H GLU 28 -8.000 3.291 -3.053 879 HA GLU 28 HA GLU 28 -7.858 4.309 -0.340 880 HB2 GLU 28 2HB GLU 28 -10.141 3.434 0.181 881 HB3 GLU 28 3HB GLU 28 -10.133 4.846 -0.859 882 HG2 GLU 28 2HG GLU 28 -11.724 3.534 -1.856 883 HG3 GLU 28 3HG GLU 28 -10.289 3.105 -2.781 884 H ILE 29 H ILE 29 -8.424 2.429 1.205 885 HA ILE 29 HA ILE 29 -7.267 -0.038 0.076 886 HB ILE 29 HB ILE 29 -6.956 0.898 2.937 887 HG12 ILE 29 2HG1 ILE 29 -4.926 1.043 0.693 888 HG13 ILE 29 3HG1 ILE 29 -5.798 2.425 1.347 889 HG21 ILE 29 1HG2 ILE 29 -5.250 -0.851 3.047 890 HG22 ILE 29 2HG2 ILE 29 -5.576 -1.281 1.370 891 HG23 ILE 29 3HG2 ILE 29 -6.818 -1.518 2.600 892 HD11 ILE 29 3HD1 ILE 29 -4.751 2.049 3.520 893 HD12 ILE 29 1HD1 ILE 29 -3.556 2.308 2.249 894 HD13 ILE 29 2HD1 ILE 29 -3.864 0.678 2.850 895 H ASN 30 H ASN 30 -8.724 -1.641 0.061 896 HA ASN 30 HA ASN 30 -10.706 -1.672 2.230 897 HB2 ASN 30 2HB ASN 30 -12.458 -2.354 0.725 898 HB3 ASN 30 3HB ASN 30 -11.738 -0.877 0.100 899 HD21 ASN 30 1HD2 ASN 30 -10.553 -0.938 -1.809 900 HD22 ASN 30 2HD2 ASN 30 -10.612 -2.310 -2.867 901 H ARG 31 H ARG 31 -11.658 -3.763 2.627 902 HA ARG 31 HA ARG 31 -9.618 -5.841 2.486 903 HB2 ARG 31 2HB ARG 31 -10.601 -5.275 4.670 904 HB3 ARG 31 3HB ARG 31 -12.201 -5.663 4.055 905 HG2 ARG 31 2HG ARG 31 -11.230 -7.992 3.592 906 HG3 ARG 31 3HG ARG 31 -9.933 -7.497 4.683 907 HD2 ARG 31 2HD ARG 31 -12.715 -7.050 5.583 908 HD3 ARG 31 3HD ARG 31 -12.145 -8.716 5.528 909 HE ARG 31 HE ARG 31 -10.456 -8.144 7.116 910 HH11 ARG 31 1HH1 ARG 31 -12.821 -5.633 6.563 911 HH12 ARG 31 2HH1 ARG 31 -12.585 -4.873 8.106 912 HH21 ARG 31 1HH2 ARG 31 -10.140 -7.205 9.139 913 HH22 ARG 31 2HH2 ARG 31 -11.027 -5.768 9.583 914 H VAL 32 H VAL 32 -9.746 -7.365 0.954 915 HA VAL 32 HA VAL 32 -12.381 -7.928 -0.249 916 HB VAL 32 HB VAL 32 -9.669 -8.451 -1.482 917 HG11 VAL 32 1HG1 VAL 32 -12.450 -8.529 -2.645 918 HG12 VAL 32 2HG1 VAL 32 -11.403 -9.913 -2.336 919 HG13 VAL 32 3HG1 VAL 32 -10.957 -8.728 -3.563 920 HG21 VAL 32 3HG2 VAL 32 -10.118 -6.522 -2.924 921 HG22 VAL 32 1HG2 VAL 32 -10.005 -6.055 -1.228 922 HG23 VAL 32 2HG2 VAL 32 -11.585 -6.181 -2.004 923 H SER 33 H SER 33 -13.168 -9.954 -0.192 924 HA SER 33 HA SER 33 -11.497 -12.035 1.036 925 HB2 SER 33 2HB SER 33 -13.849 -11.316 1.936 926 HB3 SER 33 3HB SER 33 -14.462 -12.279 0.594 927 HG SER 33 HG SER 33 -13.805 -14.072 1.548 928 H PHE 34 H PHE 34 -10.459 -13.166 -0.496 929 HA PHE 34 HA PHE 34 -11.654 -13.518 -3.119 930 HB2 PHE 34 2HB PHE 34 -8.942 -14.304 -2.039 931 HB3 PHE 34 3HB PHE 34 -9.467 -14.579 -3.695 932 HD1 PHE 34 HD2 PHE 34 -10.062 -12.575 -5.110 933 HD2 PHE 34 HD1 PHE 34 -8.012 -12.262 -1.395 934 HE1 PHE 34 HE2 PHE 34 -9.260 -10.340 -5.749 935 HE2 PHE 34 HE1 PHE 34 -7.199 -10.028 -2.028 936 HZ PHE 34 HZ PHE 34 -7.821 -9.064 -4.209 937 H ASN 35 H ASN 35 -12.903 -15.149 -3.553 938 HA ASN 35 HA ASN 35 -13.619 -17.259 -3.899 939 HB2 ASN 35 2HB ASN 35 -11.024 -18.018 -2.570 940 HB3 ASN 35 3HB ASN 35 -12.169 -19.203 -3.189 941 HD21 ASN 35 1HD2 ASN 35 -9.432 -18.676 -4.009 942 HD22 ASN 35 2HD2 ASN 35 -9.503 -18.290 -5.692 943 H GLY 36 H GLY 36 -12.172 -17.260 -0.626 944 HA2 GLY 36 2HA GLY 36 -14.715 -18.443 0.307 945 HA3 GLY 36 3HA GLY 36 -13.148 -18.879 0.967 946 H ALA 37 H ALA 37 -13.626 -18.347 3.046 947 HA ALA 37 HA ALA 37 -14.752 -15.802 3.735 948 HB1 ALA 37 3HB ALA 37 -15.312 -17.822 4.985 949 HB2 ALA 37 1HB ALA 37 -14.640 -16.563 6.023 950 HB3 ALA 37 2HB ALA 37 -13.639 -17.932 5.534 951 HA PRO 38 HA PRO 38 -10.117 -15.311 5.529 952 HB2 PRO 38 2HB PRO 38 -8.443 -15.882 3.353 953 HB3 PRO 38 3HB PRO 38 -8.598 -16.834 4.830 954 HG2 PRO 38 2HG PRO 38 -9.897 -17.231 2.176 955 HG3 PRO 38 3HG PRO 38 -9.293 -18.440 3.323 956 HD2 PRO 38 2HD PRO 38 -11.905 -17.971 3.097 957 HD3 PRO 38 3HD PRO 38 -11.174 -18.254 4.692 958 H ALA 39 H ALA 39 -10.576 -13.181 5.423 959 HA ALA 39 HA ALA 39 -10.653 -11.809 2.865 960 HB1 ALA 39 3HB ALA 39 -12.273 -11.277 4.678 961 HB2 ALA 39 1HB ALA 39 -11.360 -9.875 4.116 962 HB3 ALA 39 2HB ALA 39 -10.935 -10.651 5.643 963 H LYS 40 H LYS 40 -9.187 -10.353 2.155 964 HA LYS 40 HA LYS 40 -6.729 -10.025 3.748 965 HB2 LYS 40 2HB LYS 40 -7.058 -10.234 0.748 966 HB3 LYS 40 3HB LYS 40 -5.555 -9.793 1.548 967 HG2 LYS 40 2HG LYS 40 -5.369 -11.939 2.561 968 HG3 LYS 40 3HG LYS 40 -6.999 -12.381 2.052 969 HD2 LYS 40 2HD LYS 40 -6.323 -12.366 -0.266 970 HD3 LYS 40 3HD LYS 40 -4.714 -11.789 0.175 971 HE2 LYS 40 2HE LYS 40 -4.773 -14.212 -0.301 972 HE3 LYS 40 3HE LYS 40 -4.249 -13.849 1.341 973 HZ1 LYS 40 3HZ LYS 40 -5.854 -15.714 1.175 974 HZ2 LYS 40 1HZ LYS 40 -7.030 -14.623 0.623 975 HZ3 LYS 40 2HZ LYS 40 -6.382 -14.457 2.182 976 H PHE 41 H PHE 41 -5.496 -7.980 2.700 977 HA PHE 41 HA PHE 41 -7.530 -5.854 2.507 978 HB2 PHE 41 2HB PHE 41 -4.828 -5.557 3.830 979 HB3 PHE 41 3HB PHE 41 -6.170 -4.420 3.866 980 HD1 PHE 41 HD1 PHE 41 -8.209 -4.987 5.188 981 HD2 PHE 41 HD2 PHE 41 -4.651 -7.308 5.378 982 HE1 PHE 41 HE1 PHE 41 -8.981 -5.986 7.297 983 HE2 PHE 41 HE2 PHE 41 -5.418 -8.319 7.484 984 HZ PHE 41 HZ PHE 41 -7.583 -7.659 8.448 985 H ASP 42 H ASP 42 -7.395 -4.907 0.551 986 HA ASP 42 HA ASP 42 -4.779 -4.990 -0.801 987 HB2 ASP 42 2HB ASP 42 -7.489 -5.414 -2.078 988 HB3 ASP 42 3HB ASP 42 -5.936 -5.426 -2.910 989 H ILE 43 H ILE 43 -4.096 -3.190 -1.764 990 HA ILE 43 HA ILE 43 -5.697 -0.774 -1.410 991 HB ILE 43 HB ILE 43 -2.846 -1.037 -2.390 992 HG12 ILE 43 2HG1 ILE 43 -3.865 -0.380 0.385 993 HG13 ILE 43 3HG1 ILE 43 -3.136 -1.909 -0.091 994 HG21 ILE 43 1HG2 ILE 43 -3.921 1.050 -3.049 995 HG22 ILE 43 2HG2 ILE 43 -2.676 1.339 -1.834 996 HG23 ILE 43 3HG2 ILE 43 -4.379 1.356 -1.373 997 HD11 ILE 43 3HD1 ILE 43 -1.540 -0.541 1.087 998 HD12 ILE 43 1HD1 ILE 43 -1.782 0.776 -0.062 999 HD13 ILE 43 2HD1 ILE 43 -1.042 -0.734 -0.594 1000 H ARG 44 H ARG 44 -6.951 -0.107 -3.041 1001 HA ARG 44 HA ARG 44 -6.162 -0.893 -5.765 1002 HB2 ARG 44 2HB ARG 44 -8.918 -0.937 -4.540 1003 HB3 ARG 44 3HB ARG 44 -8.605 -1.124 -6.259 1004 HG2 ARG 44 2HG ARG 44 -7.289 -3.134 -5.797 1005 HG3 ARG 44 3HG ARG 44 -7.623 -2.946 -4.072 1006 HD2 ARG 44 2HD ARG 44 -9.108 -4.592 -5.142 1007 HD3 ARG 44 3HD ARG 44 -9.994 -3.225 -4.468 1008 HE ARG 44 HE ARG 44 -9.660 -2.464 -7.025 1009 HH11 ARG 44 1HH1 ARG 44 -10.770 -5.485 -5.637 1010 HH12 ARG 44 2HH1 ARG 44 -11.844 -5.839 -6.952 1011 HH21 ARG 44 1HH2 ARG 44 -11.065 -2.926 -8.752 1012 HH22 ARG 44 2HH2 ARG 44 -12.012 -4.390 -8.734 1013 H ALA 45 H ALA 45 -6.601 0.485 -7.423 1014 HA ALA 45 HA ALA 45 -7.514 3.183 -6.693 1015 HB1 ALA 45 3HB ALA 45 -5.332 3.060 -7.805 1016 HB2 ALA 45 1HB ALA 45 -6.514 3.903 -8.805 1017 HB3 ALA 45 2HB ALA 45 -6.075 2.236 -9.175 1018 H TRP 46 H TRP 46 -9.463 3.825 -7.332 1019 HA TRP 46 HA TRP 46 -10.945 2.083 -9.182 1020 HB2 TRP 46 2HB TRP 46 -12.024 4.016 -7.117 1021 HB3 TRP 46 3HB TRP 46 -12.979 2.927 -8.118 1022 HD1 TRP 46 HD1 TRP 46 -10.618 2.920 -5.096 1023 HE1 TRP 46 HE1 TRP 46 -10.919 0.709 -3.806 1024 HE3 TRP 46 HE3 TRP 46 -13.709 0.506 -8.379 1025 HZ2 TRP 46 HZ2 TRP 46 -12.294 -1.738 -4.157 1026 HZ3 TRP 46 HZ3 TRP 46 -14.470 -1.767 -7.826 1027 HH2 TRP 46 HH2 TRP 46 -13.775 -2.864 -5.759 1028 H SER 47 H SER 47 -11.430 2.865 -11.100 1029 HA SER 47 HA SER 47 -10.807 5.575 -11.796 1030 HB2 SER 47 2HB SER 47 -11.694 4.808 -14.059 1031 HB3 SER 47 3HB SER 47 -10.321 3.898 -13.425 1032 HG SER 47 HG SER 47 -12.834 3.054 -14.009 1033 HA PRO 48 HA PRO 48 -14.802 7.393 -11.188 1034 HB2 PRO 48 2HB PRO 48 -14.933 9.140 -13.282 1035 HB3 PRO 48 3HB PRO 48 -13.951 9.422 -11.841 1036 HG2 PRO 48 2HG PRO 48 -13.127 8.392 -14.527 1037 HG3 PRO 48 3HG PRO 48 -12.304 9.555 -13.470 1038 HD2 PRO 48 2HD PRO 48 -11.545 6.966 -13.648 1039 HD3 PRO 48 3HD PRO 48 -11.396 7.898 -12.145 1040 H ASP 49 H ASP 49 -13.977 5.926 -14.199 1041 HA ASP 49 HA ASP 49 -16.606 4.816 -14.532 1042 HB2 ASP 49 2HB ASP 49 -16.825 7.043 -15.642 1043 HB3 ASP 49 3HB ASP 49 -15.465 6.633 -16.681 1044 H HIS 50 H HIS 50 -16.490 3.455 -16.713 1045 HA HIS 50 HA HIS 50 -14.079 1.891 -16.584 1046 HB2 HIS 50 2HB HIS 50 -15.184 0.558 -18.432 1047 HB3 HIS 50 3HB HIS 50 -16.070 0.641 -16.918 1048 HD1 HIS 50 HD1 HIS 50 -18.346 1.846 -16.931 1049 HD2 HIS 50 HD2 HIS 50 -16.405 1.848 -20.616 1050 HE1 HIS 50 HE1 HIS 50 -20.067 2.584 -18.614 1051 HE2 HIS 50 HE2 HIS 50 -18.931 2.341 -20.852 1052 H THR 51 H THR 51 -12.965 4.035 -17.122 1053 HA THR 51 HA THR 51 -12.907 4.743 -19.933 1054 HB THR 51 HB THR 51 -11.121 5.840 -17.767 1055 HG1 THR 51 HG1 THR 51 -13.758 6.727 -18.447 1056 HG21 THR 51 3HG2 THR 51 -12.229 7.019 -20.318 1057 HG22 THR 51 1HG2 THR 51 -10.566 6.500 -20.043 1058 HG23 THR 51 2HG2 THR 51 -11.219 7.875 -19.153 1059 H LYS 52 H LYS 52 -10.379 3.939 -17.534 1060 HA LYS 52 HA LYS 52 -8.847 2.696 -19.719 1061 HB2 LYS 52 2HB LYS 52 -7.821 4.361 -17.414 1062 HB3 LYS 52 3HB LYS 52 -6.784 3.401 -18.457 1063 HG2 LYS 52 2HG LYS 52 -7.429 4.723 -20.378 1064 HG3 LYS 52 3HG LYS 52 -8.561 5.649 -19.388 1065 HD2 LYS 52 2HD LYS 52 -6.762 6.569 -18.088 1066 HD3 LYS 52 3HD LYS 52 -5.591 5.516 -18.881 1067 HE2 LYS 52 2HE LYS 52 -7.227 7.618 -20.292 1068 HE3 LYS 52 3HE LYS 52 -5.579 7.860 -19.716 1069 HZ1 LYS 52 3HZ LYS 52 -5.587 7.297 -22.053 1070 HZ2 LYS 52 1HZ LYS 52 -6.449 5.866 -21.744 1071 HZ3 LYS 52 2HZ LYS 52 -4.864 6.044 -21.164 1072 H MET 53 H MET 53 -8.061 2.837 -16.283 1073 HA MET 53 HA MET 53 -8.809 0.102 -15.809 1074 HB2 MET 53 2HB MET 53 -6.569 -0.748 -15.404 1075 HB3 MET 53 3HB MET 53 -6.677 -0.166 -17.058 1076 HG2 MET 53 2HG MET 53 -5.512 1.872 -16.442 1077 HG3 MET 53 3HG MET 53 -5.451 1.347 -14.761 1078 HE1 MET 53 3HE MET 53 -1.709 1.071 -15.830 1079 HE2 MET 53 1HE MET 53 -2.860 1.753 -14.680 1080 HE3 MET 53 2HE MET 53 -2.867 2.293 -16.359 1081 H GLY 54 H GLY 54 -7.630 -0.538 -13.585 1082 HA2 GLY 54 2HA GLY 54 -7.479 1.844 -11.852 1083 HA3 GLY 54 3HA GLY 54 -8.509 0.490 -11.401 1084 H LYS 55 H LYS 55 -7.482 -1.596 -11.113 1085 HA LYS 55 HA LYS 55 -5.952 -3.030 -10.271 1086 HB2 LYS 55 2HB LYS 55 -3.955 -1.128 -11.501 1087 HB3 LYS 55 3HB LYS 55 -3.605 -2.757 -10.944 1088 HG2 LYS 55 2HG LYS 55 -5.173 -3.649 -12.606 1089 HG3 LYS 55 3HG LYS 55 -5.459 -2.008 -13.188 1090 HD2 LYS 55 2HD LYS 55 -3.097 -1.796 -13.757 1091 HD3 LYS 55 3HD LYS 55 -2.803 -3.432 -13.164 1092 HE2 LYS 55 2HE LYS 55 -4.394 -4.281 -14.855 1093 HE3 LYS 55 3HE LYS 55 -4.560 -2.641 -15.481 1094 HZ1 LYS 55 3HZ LYS 55 -2.150 -2.663 -15.929 1095 HZ2 LYS 55 1HZ LYS 55 -2.990 -3.844 -16.806 1096 HZ3 LYS 55 2HZ LYS 55 -2.082 -4.283 -15.443 1097 H GLY 56 H GLY 56 -3.388 -2.581 -9.204 1098 HA2 GLY 56 2HA GLY 56 -2.879 -0.658 -7.408 1099 HA3 GLY 56 3HA GLY 56 -4.151 -1.577 -6.607 1100 H ILE 57 H ILE 57 -2.965 -2.516 -4.988 1101 HA ILE 57 HA ILE 57 -1.180 -4.643 -5.890 1102 HB ILE 57 HB ILE 57 0.349 -2.841 -5.292 1103 HG12 ILE 57 2HG1 ILE 57 0.327 -5.008 -3.180 1104 HG13 ILE 57 3HG1 ILE 57 0.948 -5.200 -4.814 1105 HG21 ILE 57 1HG2 ILE 57 0.486 -1.975 -3.012 1106 HG22 ILE 57 2HG2 ILE 57 -0.945 -2.907 -2.573 1107 HG23 ILE 57 3HG2 ILE 57 -1.070 -1.602 -3.754 1108 HD11 ILE 57 3HD1 ILE 57 2.741 -4.850 -3.218 1109 HD12 ILE 57 1HD1 ILE 57 2.023 -3.314 -2.733 1110 HD13 ILE 57 2HD1 ILE 57 2.652 -3.515 -4.369 1111 H THR 58 H THR 58 -1.404 -6.499 -4.774 1112 HA THR 58 HA THR 58 -3.553 -6.593 -2.830 1113 HB THR 58 HB THR 58 -3.183 -9.111 -3.073 1114 HG1 THR 58 HG1 THR 58 -1.225 -9.367 -3.981 1115 HG21 THR 58 3HG2 THR 58 -4.980 -7.888 -4.219 1116 HG22 THR 58 1HG2 THR 58 -4.343 -9.196 -5.221 1117 HG23 THR 58 2HG2 THR 58 -3.879 -7.527 -5.551 1118 H LEU 59 H LEU 59 -3.357 -7.220 -0.729 1119 HA LEU 59 HA LEU 59 -0.674 -7.924 0.245 1120 HB2 LEU 59 2HB LEU 59 -2.468 -5.780 1.386 1121 HB3 LEU 59 3HB LEU 59 -1.060 -6.419 2.213 1122 HG LEU 59 HG LEU 59 -0.947 -5.035 -0.469 1123 HD11 LEU 59 1HD1 LEU 59 -0.086 -3.098 0.726 1124 HD12 LEU 59 2HD1 LEU 59 -0.336 -3.920 2.265 1125 HD13 LEU 59 3HD1 LEU 59 -1.721 -3.488 1.264 1126 HD21 LEU 59 3HD2 LEU 59 1.445 -4.895 0.008 1127 HD22 LEU 59 1HD2 LEU 59 0.894 -6.570 -0.043 1128 HD23 LEU 59 2HD2 LEU 59 1.199 -5.787 1.508 1129 H SER 60 H SER 60 -0.674 -9.564 1.636 1130 HA SER 60 HA SER 60 -3.237 -10.586 2.575 1131 HB2 SER 60 2HB SER 60 -1.815 -12.535 3.355 1132 HB3 SER 60 3HB SER 60 -1.823 -12.252 1.614 1133 HG SER 60 HG SER 60 0.176 -11.114 1.897 1134 H ASN 61 H ASN 61 -2.829 -11.725 4.928 1135 HA ASN 61 HA ASN 61 -3.177 -9.592 6.691 1136 HB2 ASN 61 2HB ASN 61 -2.525 -12.490 7.243 1137 HB3 ASN 61 3HB ASN 61 -2.962 -11.337 8.498 1138 HD21 ASN 61 1HD2 ASN 61 -4.260 -13.806 7.525 1139 HD22 ASN 61 2HD2 ASN 61 -5.881 -13.345 7.126 1140 H GLU 62 H GLU 62 -0.388 -11.776 6.390 1141 HA GLU 62 HA GLU 62 1.110 -10.599 8.460 1142 HB2 GLU 62 2HB GLU 62 2.045 -12.212 6.083 1143 HB3 GLU 62 3HB GLU 62 3.011 -11.855 7.509 1144 HG2 GLU 62 2HG GLU 62 1.491 -13.103 8.901 1145 HG3 GLU 62 3HG GLU 62 0.417 -13.376 7.532 1146 H GLU 63 H GLU 63 1.167 -10.105 4.950 1147 HA GLU 63 HA GLU 63 3.347 -8.331 4.871 1148 HB2 GLU 63 2HB GLU 63 0.958 -8.405 3.014 1149 HB3 GLU 63 3HB GLU 63 2.530 -7.702 2.662 1150 HG2 GLU 63 2HG GLU 63 3.568 -9.858 2.672 1151 HG3 GLU 63 3HG GLU 63 2.082 -10.621 3.237 1152 H PHE 64 H PHE 64 -0.122 -7.801 5.197 1153 HA PHE 64 HA PHE 64 -0.011 -4.970 5.032 1154 HB2 PHE 64 2HB PHE 64 -1.985 -6.646 4.675 1155 HB3 PHE 64 3HB PHE 64 -2.216 -6.470 6.410 1156 HD1 PHE 64 HD1 PHE 64 -1.962 -4.508 3.270 1157 HD2 PHE 64 HD2 PHE 64 -3.464 -4.713 7.242 1158 HE1 PHE 64 HE1 PHE 64 -3.289 -2.477 2.869 1159 HE2 PHE 64 HE2 PHE 64 -4.793 -2.686 6.850 1160 HZ PHE 64 HZ PHE 64 -4.714 -1.563 4.660 1161 H GLN 65 H GLN 65 -0.305 -7.226 7.765 1162 HA GLN 65 HA GLN 65 -0.402 -5.384 9.850 1163 HB2 GLN 65 2HB GLN 65 -0.529 -8.045 9.706 1164 HB3 GLN 65 3HB GLN 65 1.143 -7.902 10.219 1165 HG2 GLN 65 2HG GLN 65 -1.212 -6.731 11.682 1166 HG3 GLN 65 3HG GLN 65 -0.438 -8.261 12.075 1167 HE21 GLN 65 1HE2 GLN 65 -0.258 -4.830 12.283 1168 HE22 GLN 65 2HE2 GLN 65 1.145 -4.750 13.304 1169 H THR 66 H THR 66 2.422 -6.826 8.236 1170 HA THR 66 HA THR 66 4.426 -5.732 9.848 1171 HB THR 66 HB THR 66 4.568 -6.266 6.869 1172 HG1 THR 66 HG1 THR 66 4.011 -8.174 7.852 1173 HG21 THR 66 3HG2 THR 66 6.448 -4.929 7.691 1174 HG22 THR 66 1HG2 THR 66 6.971 -6.558 7.265 1175 HG23 THR 66 2HG2 THR 66 6.749 -6.119 8.959 1176 H MET 67 H MET 67 2.756 -4.423 7.034 1177 HA MET 67 HA MET 67 4.142 -2.024 6.721 1178 HB2 MET 67 2HB MET 67 2.584 -2.774 5.059 1179 HB3 MET 67 3HB MET 67 1.264 -2.779 6.216 1180 HG2 MET 67 2HG MET 67 2.670 -0.235 5.508 1181 HG3 MET 67 3HG MET 67 1.407 -0.895 4.475 1182 HE1 MET 67 3HE MET 67 -0.582 -2.200 6.582 1183 HE2 MET 67 1HE MET 67 -1.094 -1.218 5.207 1184 HE3 MET 67 2HE MET 67 -1.705 -0.859 6.822 1185 H VAL 68 H VAL 68 1.516 -2.904 8.862 1186 HA VAL 68 HA VAL 68 0.744 -0.360 9.718 1187 HB VAL 68 HB VAL 68 0.591 -3.000 11.179 1188 HG11 VAL 68 1HG1 VAL 68 0.279 -1.159 12.735 1189 HG12 VAL 68 2HG1 VAL 68 -1.249 -1.995 12.446 1190 HG13 VAL 68 3HG1 VAL 68 -0.930 -0.443 11.668 1191 HG21 VAL 68 3HG2 VAL 68 -1.401 -1.581 9.423 1192 HG22 VAL 68 1HG2 VAL 68 -1.686 -3.081 10.305 1193 HG23 VAL 68 2HG2 VAL 68 -0.493 -3.036 9.008 1194 H ASP 69 H ASP 69 2.735 -2.725 11.525 1195 HA ASP 69 HA ASP 69 3.233 -0.858 13.610 1196 HB2 ASP 69 2HB ASP 69 4.264 -3.586 12.966 1197 HB3 ASP 69 3HB ASP 69 5.074 -2.628 14.201 1198 H ALA 70 H ALA 70 5.065 -1.804 10.770 1199 HA ALA 70 HA ALA 70 7.527 -0.689 11.565 1200 HB1 ALA 70 3HB ALA 70 8.166 -0.831 9.238 1201 HB2 ALA 70 1HB ALA 70 6.483 -1.051 8.769 1202 HB3 ALA 70 2HB ALA 70 7.299 -2.290 9.723 1203 H PHE 71 H PHE 71 4.877 0.670 9.591 1204 HA PHE 71 HA PHE 71 6.190 3.214 9.389 1205 HB2 PHE 71 2HB PHE 71 3.419 2.286 8.670 1206 HB3 PHE 71 3HB PHE 71 3.923 3.965 8.501 1207 HD1 PHE 71 HD1 PHE 71 6.776 3.419 7.659 1208 HD2 PHE 71 HD2 PHE 71 3.066 1.769 6.397 1209 HE1 PHE 71 HE1 PHE 71 7.752 2.929 5.456 1210 HE2 PHE 71 HE2 PHE 71 4.035 1.272 4.195 1211 HZ PHE 71 HZ PHE 71 6.378 1.850 3.719 1212 H LYS 72 H LYS 72 3.806 1.785 11.502 1213 HA LYS 72 HA LYS 72 2.780 3.940 12.864 1214 HB2 LYS 72 2HB LYS 72 2.018 1.743 13.392 1215 HB3 LYS 72 3HB LYS 72 3.632 1.210 13.834 1216 HG2 LYS 72 2HG LYS 72 3.543 2.752 15.777 1217 HG3 LYS 72 3HG LYS 72 1.862 3.100 15.361 1218 HD2 LYS 72 2HD LYS 72 1.222 0.830 15.724 1219 HD3 LYS 72 3HD LYS 72 2.904 0.317 15.862 1220 HE2 LYS 72 2HE LYS 72 3.109 1.728 17.891 1221 HE3 LYS 72 3HE LYS 72 1.390 2.092 17.770 1222 HZ1 LYS 72 3HZ LYS 72 0.844 -0.177 18.155 1223 HZ2 LYS 72 1HZ LYS 72 1.967 0.271 19.344 1224 HZ3 LYS 72 2HZ LYS 72 2.461 -0.663 18.023 1225 H GLY 73 H GLY 73 5.943 2.402 13.270 1226 HA2 GLY 73 2HA GLY 73 6.705 4.673 15.002 1227 HA3 GLY 73 3HA GLY 73 7.450 3.085 15.078 1228 H ASN 74 H ASN 74 6.680 5.040 12.215 1229 HA ASN 74 HA ASN 74 9.540 5.497 11.786 1230 HB2 ASN 74 2HB ASN 74 8.872 3.366 10.614 1231 HB3 ASN 74 3HB ASN 74 7.798 4.333 9.608 1232 HD21 ASN 74 1HD2 ASN 74 8.917 3.802 7.728 1233 HD22 ASN 74 2HD2 ASN 74 10.482 4.447 7.370 1234 H LEU 75 H LEU 75 6.218 6.123 10.698 1235 HA LEU 75 HA LEU 75 7.124 8.717 9.667 1236 HB2 LEU 75 2HB LEU 75 4.699 7.053 9.166 1237 HB3 LEU 75 3HB LEU 75 4.585 8.789 8.968 1238 HG LEU 75 HG LEU 75 6.693 8.466 7.446 1239 HD11 LEU 75 1HD1 LEU 75 7.024 6.117 7.970 1240 HD12 LEU 75 2HD1 LEU 75 6.671 6.342 6.256 1241 HD13 LEU 75 3HD1 LEU 75 5.418 5.741 7.344 1242 HD21 LEU 75 3HD2 LEU 75 3.917 7.663 6.584 1243 HD22 LEU 75 1HD2 LEU 75 5.215 8.210 5.521 1244 HD23 LEU 75 2HD2 LEU 75 4.528 9.314 6.713 1245 H GLU 76 H GLU 76 4.923 10.241 9.907 1246 HA GLU 76 HA GLU 76 3.819 11.650 11.296 1247 HB2 GLU 76 2HB GLU 76 2.713 9.686 12.239 1248 HB3 GLU 76 3HB GLU 76 4.082 9.394 13.299 1249 HG2 GLU 76 2HG GLU 76 3.624 11.590 14.381 1250 HG3 GLU 76 3HG GLU 76 2.159 11.702 13.403 1251 H HIS 77 H HIS 77 4.454 13.379 12.571 1252 HA HIS 77 HA HIS 77 7.176 13.494 13.432 1253 HB2 HIS 77 2HB HIS 77 5.828 15.490 12.694 1254 HB3 HIS 77 3HB HIS 77 4.925 15.368 14.198 1255 HD1 HIS 77 HD1 HIS 77 5.683 17.132 15.732 1256 HD2 HIS 77 HD2 HIS 77 8.845 15.512 13.562 1257 HE1 HIS 77 HE1 HIS 77 7.746 18.325 16.540 1258 HE2 HIS 77 HE2 HIS 77 9.664 17.187 15.360 1259 H HIS 78 H HIS 78 7.392 11.753 14.774 1260 HA HIS 78 HA HIS 78 5.742 11.658 17.215 1261 HB2 HIS 78 2HB HIS 78 5.551 9.797 15.459 1262 HB3 HIS 78 3HB HIS 78 7.185 9.337 15.919 1263 HD1 HIS 78 HD1 HIS 78 3.654 9.110 16.953 1264 HD2 HIS 78 HD2 HIS 78 7.388 8.205 18.546 1265 HE1 HIS 78 HE1 HIS 78 3.209 7.620 18.933 1266 HE2 HIS 78 HE2 HIS 78 5.457 7.307 20.018 1267 H HIS 79 H HIS 79 8.698 12.530 16.156 1268 HA HIS 79 HA HIS 79 10.748 12.814 17.093 1269 HB2 HIS 79 2HB HIS 79 9.634 13.557 19.121 1270 HB3 HIS 79 3HB HIS 79 9.324 11.897 19.608 1271 HD1 HIS 79 HD1 HIS 79 11.303 10.567 20.607 1272 HD2 HIS 79 HD2 HIS 79 12.188 14.522 19.696 1273 HE1 HIS 79 HE1 HIS 79 13.472 11.058 21.774 1274 HE2 HIS 79 HE2 HIS 79 13.838 13.525 21.422 1275 H HIS 80 H HIS 80 11.915 11.349 15.976 1276 HA HIS 80 HA HIS 80 11.557 8.568 16.153 1277 HB2 HIS 80 2HB HIS 80 13.499 8.336 14.751 1278 HB3 HIS 80 3HB HIS 80 12.551 9.702 14.192 1279 HD1 HIS 80 HD1 HIS 80 15.845 8.866 14.263 1280 HD2 HIS 80 HD2 HIS 80 13.803 12.144 15.811 1281 HE1 HIS 80 HE1 HIS 80 17.563 10.692 14.487 1282 HE2 HIS 80 HE2 HIS 80 16.239 12.734 15.165 1283 H HIS 81 H HIS 81 13.451 7.038 16.633 1284 HA HIS 81 HA HIS 81 13.414 6.826 19.389 1285 HB2 HIS 81 2HB HIS 81 15.210 5.501 17.366 1286 HB3 HIS 81 3HB HIS 81 15.215 5.070 19.072 1287 HD1 HIS 81 HD1 HIS 81 13.822 3.990 16.002 1288 HD2 HIS 81 HD2 HIS 81 12.370 4.362 19.886 1289 HE1 HIS 81 HE1 HIS 81 11.811 2.483 16.126 1290 HE2 HIS 81 HE2 HIS 81 11.069 2.576 18.535 1291 H HIS 82 H HIS 82 14.416 7.837 20.934 1292 HA HIS 82 HA HIS 82 17.263 8.424 20.678 1293 HB2 HIS 82 2HB HIS 82 15.991 10.530 20.168 1294 HB3 HIS 82 3HB HIS 82 15.273 10.431 21.773 1295 HD1 HIS 82 HD1 HIS 82 16.876 10.879 23.814 1296 HD2 HIS 82 HD2 HIS 82 18.586 11.504 20.074 1297 HE1 HIS 82 HE1 HIS 82 18.961 12.216 24.237 1298 HE2 HIS 82 HE2 HIS 82 19.938 12.661 21.956 Start of MODEL 15 1 H1 MET 1 1H MET 1 22.047 3.599 -21.687 2 H2 MET 1 2H MET 1 22.909 2.237 -21.165 3 H3 MET 1 3H MET 1 21.728 2.928 -20.160 4 HA MET 1 HA MET 1 21.230 1.650 -22.782 5 HB2 MET 1 2HB MET 1 20.744 0.684 -19.958 6 HB3 MET 1 3HB MET 1 20.041 -0.069 -21.382 7 HG2 MET 1 2HG MET 1 21.930 -1.348 -20.738 8 HG3 MET 1 3HG MET 1 22.344 -0.490 -22.217 9 HE1 MET 1 3HE MET 1 25.738 -0.702 -20.234 10 HE2 MET 1 1HE MET 1 24.909 -1.100 -21.739 11 HE3 MET 1 2HE MET 1 24.447 -1.904 -20.239 12 H LYS 2 H LYS 2 19.817 3.132 -23.608 13 HA LYS 2 HA LYS 2 17.211 3.181 -22.375 14 HB2 LYS 2 2HB LYS 2 17.011 5.672 -22.540 15 HB3 LYS 2 3HB LYS 2 18.098 5.114 -21.278 16 HG2 LYS 2 2HG LYS 2 20.009 5.572 -22.780 17 HG3 LYS 2 3HG LYS 2 18.877 6.234 -23.961 18 HD2 LYS 2 2HD LYS 2 18.210 7.964 -22.422 19 HD3 LYS 2 3HD LYS 2 19.192 7.253 -21.140 20 HE2 LYS 2 2HE LYS 2 21.202 7.636 -22.570 21 HE3 LYS 2 3HE LYS 2 20.165 8.511 -23.696 22 HZ1 LYS 2 3HZ LYS 2 21.394 9.918 -22.053 23 HZ2 LYS 2 1HZ LYS 2 20.424 9.246 -20.836 24 HZ3 LYS 2 2HZ LYS 2 19.715 10.158 -22.078 25 H LYS 3 H LYS 3 15.908 2.636 -23.925 26 HA LYS 3 HA LYS 3 16.170 3.910 -26.558 27 HB2 LYS 3 2HB LYS 3 16.009 0.965 -25.981 28 HB3 LYS 3 3HB LYS 3 15.419 1.616 -27.501 29 HG2 LYS 3 2HG LYS 3 18.229 1.959 -26.475 30 HG3 LYS 3 3HG LYS 3 17.718 0.718 -27.622 31 HD2 LYS 3 2HD LYS 3 16.872 2.602 -29.082 32 HD3 LYS 3 3HD LYS 3 17.717 3.707 -27.996 33 HE2 LYS 3 2HE LYS 3 18.991 1.451 -29.540 34 HE3 LYS 3 3HE LYS 3 19.040 3.153 -29.994 35 HZ1 LYS 3 3HZ LYS 3 21.064 2.495 -28.885 36 HZ2 LYS 3 1HZ LYS 3 20.201 1.976 -27.520 37 HZ3 LYS 3 2HZ LYS 3 20.228 3.620 -27.934 38 H MET 4 H MET 4 14.288 3.119 -23.924 39 HA MET 4 HA MET 4 11.798 2.734 -25.353 40 HB2 MET 4 2HB MET 4 12.380 2.954 -22.395 41 HB3 MET 4 3HB MET 4 10.804 2.576 -23.086 42 HG2 MET 4 2HG MET 4 11.695 0.545 -24.062 43 HG3 MET 4 3HG MET 4 13.298 0.925 -23.433 44 HE1 MET 4 3HE MET 4 12.325 -2.097 -21.194 45 HE2 MET 4 1HE MET 4 13.557 -1.381 -22.233 46 HE3 MET 4 2HE MET 4 12.006 -1.875 -22.914 47 H ALA 5 H ALA 5 13.592 5.379 -24.289 48 HA ALA 5 HA ALA 5 13.225 7.617 -24.249 49 HB1 ALA 5 3HB ALA 5 11.412 8.536 -25.592 50 HB2 ALA 5 1HB ALA 5 10.678 6.937 -25.715 51 HB3 ALA 5 2HB ALA 5 12.250 7.246 -26.455 52 H GLU 6 H GLU 6 12.173 5.870 -22.096 53 HA GLU 6 HA GLU 6 9.772 7.046 -21.110 54 HB2 GLU 6 2HB GLU 6 11.893 5.313 -19.853 55 HB3 GLU 6 3HB GLU 6 10.509 5.909 -18.946 56 HG2 GLU 6 2HG GLU 6 10.324 4.247 -21.447 57 HG3 GLU 6 3HG GLU 6 10.227 3.610 -19.805 58 H PHE 7 H PHE 7 9.657 8.213 -19.030 59 HA PHE 7 HA PHE 7 11.425 10.464 -18.987 60 HB2 PHE 7 2HB PHE 7 9.216 9.582 -17.116 61 HB3 PHE 7 3HB PHE 7 10.114 11.082 -16.922 62 HD1 PHE 7 HD2 PHE 7 7.648 9.294 -18.953 63 HD2 PHE 7 HD1 PHE 7 9.744 12.950 -18.381 64 HE1 PHE 7 HE2 PHE 7 6.077 10.433 -20.468 65 HE2 PHE 7 HE1 PHE 7 8.178 14.092 -19.890 66 HZ PHE 7 HZ PHE 7 6.340 12.835 -20.936 67 H THR 8 H THR 8 12.118 11.097 -16.532 68 HA THR 8 HA THR 8 14.008 9.009 -15.831 69 HB THR 8 HB THR 8 14.863 10.775 -14.214 70 HG1 THR 8 HG1 THR 8 12.607 11.947 -14.782 71 HG21 THR 8 3HG2 THR 8 15.949 10.389 -16.355 72 HG22 THR 8 1HG2 THR 8 15.919 12.114 -15.990 73 HG23 THR 8 2HG2 THR 8 14.778 11.441 -17.156 74 H PHE 9 H PHE 9 13.446 7.518 -14.426 75 HA PHE 9 HA PHE 9 12.221 8.312 -11.922 76 HB2 PHE 9 2HB PHE 9 10.544 6.508 -11.986 77 HB3 PHE 9 3HB PHE 9 10.268 7.692 -13.254 78 HD1 PHE 9 HD1 PHE 9 10.744 7.115 -15.608 79 HD2 PHE 9 HD2 PHE 9 11.051 4.238 -12.481 80 HE1 PHE 9 HE1 PHE 9 10.687 5.300 -17.270 81 HE2 PHE 9 HE2 PHE 9 10.996 2.423 -14.139 82 HZ PHE 9 HZ PHE 9 10.816 2.953 -16.535 83 H GLU 10 H GLU 10 13.086 7.239 -10.255 84 HA GLU 10 HA GLU 10 14.454 4.719 -10.670 85 HB2 GLU 10 2HB GLU 10 16.063 6.459 -11.442 86 HB3 GLU 10 3HB GLU 10 16.011 7.172 -9.838 87 HG2 GLU 10 2HG GLU 10 17.038 5.269 -8.869 88 HG3 GLU 10 3HG GLU 10 16.866 4.341 -10.361 89 H ILE 11 H ILE 11 14.823 3.605 -8.785 90 HA ILE 11 HA ILE 11 13.296 4.441 -6.507 91 HB ILE 11 HB ILE 11 15.142 2.062 -6.791 92 HG12 ILE 11 2HG1 ILE 11 12.144 2.257 -7.163 93 HG13 ILE 11 3HG1 ILE 11 13.315 2.097 -8.465 94 HG21 ILE 11 1HG2 ILE 11 12.958 2.662 -4.795 95 HG22 ILE 11 2HG2 ILE 11 14.690 2.613 -4.469 96 HG23 ILE 11 3HG2 ILE 11 13.836 1.138 -4.917 97 HD11 ILE 11 3HD1 ILE 11 12.272 -0.022 -7.994 98 HD12 ILE 11 1HD1 ILE 11 12.769 0.080 -6.304 99 HD13 ILE 11 2HD1 ILE 11 13.985 -0.083 -7.571 100 H GLU 12 H GLU 12 14.089 6.019 -5.297 101 HA GLU 12 HA GLU 12 16.908 6.473 -4.976 102 HB2 GLU 12 2HB GLU 12 14.477 7.803 -3.770 103 HB3 GLU 12 3HB GLU 12 16.126 8.326 -3.458 104 HG2 GLU 12 2HG GLU 12 14.934 8.172 -6.211 105 HG3 GLU 12 3HG GLU 12 14.883 9.621 -5.208 106 H GLU 13 H GLU 13 14.245 5.500 -2.843 107 HA GLU 13 HA GLU 13 16.239 4.550 -0.908 108 HB2 GLU 13 2HB GLU 13 15.410 6.790 -0.241 109 HB3 GLU 13 3HB GLU 13 13.770 6.160 -0.224 110 HG2 GLU 13 2HG GLU 13 14.656 6.290 2.014 111 HG3 GLU 13 3HG GLU 13 14.383 4.609 1.557 112 H HIS 14 H HIS 14 15.670 2.774 0.280 113 HA HIS 14 HA HIS 14 13.101 1.490 -0.398 114 HB2 HIS 14 2HB HIS 14 15.675 0.250 0.632 115 HB3 HIS 14 3HB HIS 14 14.181 -0.632 0.342 116 HD1 HIS 14 HD1 HIS 14 13.850 -1.566 -1.950 117 HD2 HIS 14 HD2 HIS 14 16.869 1.308 -1.813 118 HE1 HIS 14 HE1 HIS 14 14.935 -1.598 -4.220 119 HE2 HIS 14 HE2 HIS 14 16.759 0.140 -4.123 120 H LEU 15 H LEU 15 11.615 1.735 1.168 121 HA LEU 15 HA LEU 15 12.307 2.745 3.736 122 HB2 LEU 15 2HB LEU 15 9.702 1.619 2.703 123 HB3 LEU 15 3HB LEU 15 9.892 2.421 4.252 124 HG LEU 15 HG LEU 15 10.419 3.732 1.584 125 HD11 LEU 15 1HD1 LEU 15 8.038 3.944 3.414 126 HD12 LEU 15 2HD1 LEU 15 8.067 3.190 1.820 127 HD13 LEU 15 3HD1 LEU 15 8.328 4.925 1.979 128 HD21 LEU 15 3HD2 LEU 15 10.396 5.802 2.909 129 HD22 LEU 15 1HD2 LEU 15 11.699 4.716 3.399 130 HD23 LEU 15 2HD2 LEU 15 10.238 4.844 4.381 131 H LEU 16 H LEU 16 10.450 -0.224 3.056 132 HA LEU 16 HA LEU 16 12.290 -1.833 4.557 133 HB2 LEU 16 2HB LEU 16 10.765 -2.562 6.284 134 HB3 LEU 16 3HB LEU 16 11.001 -0.831 6.391 135 HG LEU 16 HG LEU 16 8.659 -1.546 4.797 136 HD11 LEU 16 1HD1 LEU 16 7.299 -2.271 6.704 137 HD12 LEU 16 2HD1 LEU 16 8.745 -2.332 7.710 138 HD13 LEU 16 3HD1 LEU 16 8.576 -3.430 6.341 139 HD21 LEU 16 3HD2 LEU 16 9.064 0.150 7.260 140 HD22 LEU 16 1HD2 LEU 16 7.608 0.109 6.266 141 HD23 LEU 16 2HD2 LEU 16 9.121 0.716 5.590 142 H THR 17 H THR 17 12.232 -3.886 3.896 143 HA THR 17 HA THR 17 10.394 -4.743 1.884 144 HB THR 17 HB THR 17 12.191 -6.513 3.551 145 HG1 THR 17 HG1 THR 17 12.834 -5.065 1.165 146 HG21 THR 17 3HG2 THR 17 10.586 -7.669 2.105 147 HG22 THR 17 1HG2 THR 17 12.238 -7.891 1.522 148 HG23 THR 17 2HG2 THR 17 11.164 -6.746 0.718 149 H LEU 18 H LEU 18 8.571 -5.987 2.096 150 HA LEU 18 HA LEU 18 7.569 -6.304 4.819 151 HB2 LEU 18 2HB LEU 18 6.156 -6.701 2.179 152 HB3 LEU 18 3HB LEU 18 5.403 -6.734 3.763 153 HG LEU 18 HG LEU 18 6.678 -4.332 2.450 154 HD11 LEU 18 1HD1 LEU 18 3.800 -4.985 3.061 155 HD12 LEU 18 2HD1 LEU 18 4.541 -4.939 1.461 156 HD13 LEU 18 3HD1 LEU 18 4.394 -3.458 2.409 157 HD21 LEU 18 3HD2 LEU 18 5.832 -3.080 4.365 158 HD22 LEU 18 1HD2 LEU 18 6.997 -4.306 4.870 159 HD23 LEU 18 2HD2 LEU 18 5.271 -4.579 5.105 160 H SER 19 H SER 19 7.005 -8.316 1.953 161 HA SER 19 HA SER 19 8.176 -10.672 3.107 162 HB2 SER 19 2HB SER 19 5.146 -10.485 3.003 163 HB3 SER 19 3HB SER 19 6.058 -11.951 3.340 164 HG SER 19 HG SER 19 6.779 -11.048 5.244 165 H GLU 20 H GLU 20 8.035 -12.515 1.619 166 HA GLU 20 HA GLU 20 7.340 -11.633 -1.093 167 HB2 GLU 20 2HB GLU 20 8.690 -13.487 -1.924 168 HB3 GLU 20 3HB GLU 20 9.628 -12.463 -0.846 169 HG2 GLU 20 2HG GLU 20 8.298 -14.939 0.172 170 HG3 GLU 20 3HG GLU 20 9.844 -15.022 -0.671 171 H ASN 21 H ASN 21 6.022 -12.790 -2.410 172 HA ASN 21 HA ASN 21 4.358 -14.845 -1.112 173 HB2 ASN 21 2HB ASN 21 3.584 -12.980 -3.373 174 HB3 ASN 21 3HB ASN 21 2.531 -14.143 -2.581 175 HD21 ASN 21 1HD2 ASN 21 3.466 -13.533 0.106 176 HD22 ASN 21 2HD2 ASN 21 2.816 -11.978 0.512 177 H GLU 22 H GLU 22 3.958 -16.736 -2.254 178 HA GLU 22 HA GLU 22 4.105 -18.355 -3.840 179 HB2 GLU 22 2HB GLU 22 3.034 -16.497 -5.184 180 HB3 GLU 22 3HB GLU 22 4.631 -16.122 -5.805 181 HG2 GLU 22 2HG GLU 22 4.774 -18.151 -6.970 182 HG3 GLU 22 3HG GLU 22 3.407 -18.842 -6.095 183 H LYS 23 H LYS 23 6.541 -17.130 -2.517 184 HA LYS 23 HA LYS 23 8.793 -17.291 -2.475 185 HB2 LYS 23 2HB LYS 23 8.256 -19.708 -2.629 186 HB3 LYS 23 3HB LYS 23 8.387 -19.602 -4.382 187 HG2 LYS 23 2HG LYS 23 10.752 -18.774 -4.021 188 HG3 LYS 23 3HG LYS 23 10.561 -19.259 -2.336 189 HD2 LYS 23 2HD LYS 23 11.664 -21.012 -3.613 190 HD3 LYS 23 3HD LYS 23 10.078 -21.549 -3.057 191 HE2 LYS 23 2HE LYS 23 9.123 -21.224 -5.219 192 HE3 LYS 23 3HE LYS 23 10.579 -20.417 -5.800 193 HZ1 LYS 23 3HZ LYS 23 11.780 -22.446 -5.700 194 HZ2 LYS 23 1HZ LYS 23 10.333 -22.766 -6.523 195 HZ3 LYS 23 2HZ LYS 23 10.514 -23.246 -4.906 196 H GLY 24 H GLY 24 9.282 -15.351 -3.448 197 HA2 GLY 24 2HA GLY 24 11.074 -14.862 -5.173 198 HA3 GLY 24 3HA GLY 24 9.901 -15.482 -6.324 199 H TRP 25 H TRP 25 7.557 -14.335 -5.394 200 HA TRP 25 HA TRP 25 7.915 -11.675 -6.430 201 HB2 TRP 25 2HB TRP 25 5.440 -13.045 -5.359 202 HB3 TRP 25 3HB TRP 25 5.464 -11.504 -6.214 203 HD1 TRP 25 HD1 TRP 25 5.781 -15.265 -6.803 204 HE1 TRP 25 HE1 TRP 25 5.616 -15.720 -9.328 205 HE3 TRP 25 HE3 TRP 25 5.901 -10.443 -8.501 206 HZ2 TRP 25 HZ2 TRP 25 5.543 -14.228 -11.726 207 HZ3 TRP 25 HZ3 TRP 25 5.777 -10.046 -10.924 208 HH2 TRP 25 HH2 TRP 25 5.603 -11.902 -12.499 209 H THR 26 H THR 26 9.055 -10.479 -4.960 210 HA THR 26 HA THR 26 8.315 -10.606 -2.160 211 HB THR 26 HB THR 26 10.424 -8.847 -3.421 212 HG1 THR 26 HG1 THR 26 10.488 -11.349 -3.650 213 HG21 THR 26 3HG2 THR 26 10.076 -9.929 -0.623 214 HG22 THR 26 1HG2 THR 26 9.800 -8.263 -1.130 215 HG23 THR 26 2HG2 THR 26 11.428 -8.944 -1.182 216 H LYS 27 H LYS 27 7.279 -9.060 -1.036 217 HA LYS 27 HA LYS 27 6.273 -6.755 -2.553 218 HB2 LYS 27 2HB LYS 27 4.763 -8.488 -1.292 219 HB3 LYS 27 3HB LYS 27 5.252 -7.599 0.142 220 HG2 LYS 27 2HG LYS 27 4.378 -5.529 -0.918 221 HG3 LYS 27 3HG LYS 27 3.765 -6.525 -2.242 222 HD2 LYS 27 2HD LYS 27 2.964 -6.603 0.663 223 HD3 LYS 27 3HD LYS 27 1.961 -6.180 -0.724 224 HE2 LYS 27 2HE LYS 27 3.172 -8.902 -0.256 225 HE3 LYS 27 3HE LYS 27 1.527 -8.454 0.183 226 HZ1 LYS 27 3HZ LYS 27 0.950 -8.171 -2.068 227 HZ2 LYS 27 1HZ LYS 27 1.782 -9.646 -1.975 228 HZ3 LYS 27 2HZ LYS 27 2.564 -8.272 -2.582 229 H GLU 28 H GLU 28 7.288 -4.908 -2.203 230 HA GLU 28 HA GLU 28 8.352 -4.331 0.468 231 HB2 GLU 28 2HB GLU 28 10.209 -5.227 -0.891 232 HB3 GLU 28 3HB GLU 28 9.899 -4.004 -2.114 233 HG2 GLU 28 2HG GLU 28 10.501 -2.253 -0.548 234 HG3 GLU 28 3HG GLU 28 10.749 -3.453 0.720 235 H ILE 29 H ILE 29 8.549 -2.089 0.919 236 HA ILE 29 HA ILE 29 7.050 -0.383 -0.952 237 HB ILE 29 HB ILE 29 7.472 0.072 2.007 238 HG12 ILE 29 2HG1 ILE 29 5.024 -0.934 0.532 239 HG13 ILE 29 3HG1 ILE 29 6.074 -1.922 1.542 240 HG21 ILE 29 1HG2 ILE 29 5.744 1.785 1.739 241 HG22 ILE 29 2HG2 ILE 29 5.665 1.437 0.013 242 HG23 ILE 29 3HG2 ILE 29 7.136 2.116 0.708 243 HD11 ILE 29 3HD1 ILE 29 4.038 -1.299 2.704 244 HD12 ILE 29 1HD1 ILE 29 4.417 0.408 2.473 245 HD13 ILE 29 2HD1 ILE 29 5.454 -0.599 3.486 246 H ASN 30 H ASN 30 8.291 0.895 -2.109 247 HA ASN 30 HA ASN 30 10.800 1.885 -0.918 248 HB2 ASN 30 2HB ASN 30 11.602 1.915 -3.377 249 HB3 ASN 30 3HB ASN 30 11.544 0.369 -2.536 250 HD21 ASN 30 1HD2 ASN 30 9.967 2.383 -4.937 251 HD22 ASN 30 2HD2 ASN 30 9.055 1.114 -5.680 252 H ARG 31 H ARG 31 11.664 3.798 -2.324 253 HA ARG 31 HA ARG 31 9.407 5.577 -2.988 254 HB2 ARG 31 2HB ARG 31 12.069 6.299 -1.745 255 HB3 ARG 31 3HB ARG 31 10.870 7.465 -2.287 256 HG2 ARG 31 2HG ARG 31 9.279 6.585 -0.652 257 HG3 ARG 31 3HG ARG 31 10.491 5.422 -0.109 258 HD2 ARG 31 2HD ARG 31 10.447 7.311 1.395 259 HD3 ARG 31 3HD ARG 31 11.970 7.291 0.509 260 HE ARG 31 HE ARG 31 10.075 8.929 -0.823 261 HH11 ARG 31 1HH1 ARG 31 12.196 8.854 1.967 262 HH12 ARG 31 2HH1 ARG 31 12.328 10.585 2.073 263 HH21 ARG 31 1HH2 ARG 31 10.275 11.214 -0.705 264 HH22 ARG 31 2HH2 ARG 31 11.264 11.926 0.535 265 H VAL 32 H VAL 32 9.371 6.288 -5.014 266 HA VAL 32 HA VAL 32 11.835 6.023 -6.620 267 HB VAL 32 HB VAL 32 8.982 5.852 -7.607 268 HG11 VAL 32 1HG1 VAL 32 9.996 5.057 -9.697 269 HG12 VAL 32 2HG1 VAL 32 11.599 5.352 -9.018 270 HG13 VAL 32 3HG1 VAL 32 10.495 6.699 -9.300 271 HG21 VAL 32 3HG2 VAL 32 9.435 3.459 -7.943 272 HG22 VAL 32 1HG2 VAL 32 9.515 3.921 -6.242 273 HG23 VAL 32 2HG2 VAL 32 10.999 3.661 -7.156 274 H SER 33 H SER 33 12.595 7.800 -7.586 275 HA SER 33 HA SER 33 11.196 10.314 -7.259 276 HB2 SER 33 2HB SER 33 13.654 10.115 -6.906 277 HB3 SER 33 3HB SER 33 13.842 9.720 -8.615 278 HG SER 33 HG SER 33 14.153 11.993 -7.932 279 H PHE 34 H PHE 34 10.103 11.383 -8.825 280 HA PHE 34 HA PHE 34 10.157 10.243 -11.544 281 HB2 PHE 34 2HB PHE 34 7.771 11.383 -10.069 282 HB3 PHE 34 3HB PHE 34 7.770 10.893 -11.755 283 HD1 PHE 34 HD2 PHE 34 8.221 8.455 -12.295 284 HD2 PHE 34 HD1 PHE 34 7.352 9.842 -8.367 285 HE1 PHE 34 HE2 PHE 34 7.595 6.171 -11.635 286 HE2 PHE 34 HE1 PHE 34 6.725 7.556 -7.698 287 HZ PHE 34 HZ PHE 34 6.843 5.719 -9.335 288 H ASN 35 H ASN 35 11.487 11.694 -12.500 289 HA ASN 35 HA ASN 35 12.276 13.626 -13.380 290 HB2 ASN 35 2HB ASN 35 9.303 14.026 -13.523 291 HB3 ASN 35 3HB ASN 35 10.410 15.259 -14.117 292 HD21 ASN 35 1HD2 ASN 35 9.746 15.031 -16.227 293 HD22 ASN 35 2HD2 ASN 35 10.157 13.648 -17.184 294 H GLY 36 H GLY 36 13.411 14.338 -11.526 295 HA2 GLY 36 2HA GLY 36 13.592 16.799 -10.838 296 HA3 GLY 36 3HA GLY 36 12.067 16.486 -10.027 297 H ALA 37 H ALA 37 12.100 15.711 -8.019 298 HA ALA 37 HA ALA 37 14.486 14.463 -6.959 299 HB1 ALA 37 3HB ALA 37 13.477 17.036 -5.777 300 HB2 ALA 37 1HB ALA 37 14.953 16.848 -6.721 301 HB3 ALA 37 2HB ALA 37 14.798 16.049 -5.157 302 HA PRO 38 HA PRO 38 10.685 14.338 -3.755 303 HB2 PRO 38 2HB PRO 38 8.348 14.196 -5.286 304 HB3 PRO 38 3HB PRO 38 8.856 15.563 -4.291 305 HG2 PRO 38 2HG PRO 38 9.175 15.130 -7.223 306 HG3 PRO 38 3HG PRO 38 8.819 16.626 -6.339 307 HD2 PRO 38 2HD PRO 38 11.266 16.163 -7.296 308 HD3 PRO 38 3HD PRO 38 11.043 16.921 -5.706 309 H ALA 39 H ALA 39 11.331 12.294 -3.419 310 HA ALA 39 HA ALA 39 10.760 10.207 -5.350 311 HB1 ALA 39 3HB ALA 39 11.974 10.012 -2.591 312 HB2 ALA 39 1HB ALA 39 12.872 10.165 -4.101 313 HB3 ALA 39 2HB ALA 39 11.904 8.723 -3.795 314 H LYS 40 H LYS 40 8.635 9.834 -5.477 315 HA LYS 40 HA LYS 40 6.903 9.958 -3.199 316 HB2 LYS 40 2HB LYS 40 6.367 8.939 -5.995 317 HB3 LYS 40 3HB LYS 40 5.146 9.267 -4.772 318 HG2 LYS 40 2HG LYS 40 5.857 11.638 -4.757 319 HG3 LYS 40 3HG LYS 40 6.977 11.274 -6.068 320 HD2 LYS 40 2HD LYS 40 5.089 10.578 -7.473 321 HD3 LYS 40 3HD LYS 40 3.976 10.963 -6.157 322 HE2 LYS 40 2HE LYS 40 4.831 13.307 -6.224 323 HE3 LYS 40 3HE LYS 40 5.765 12.876 -7.655 324 HZ1 LYS 40 3HZ LYS 40 3.637 12.260 -8.737 325 HZ2 LYS 40 1HZ LYS 40 3.740 13.906 -8.331 326 HZ3 LYS 40 2HZ LYS 40 2.808 12.857 -7.380 327 H PHE 41 H PHE 41 5.411 8.113 -2.713 328 HA PHE 41 HA PHE 41 7.142 5.885 -2.053 329 HB2 PHE 41 2HB PHE 41 4.314 6.482 -1.165 330 HB3 PHE 41 3HB PHE 41 5.378 5.254 -0.486 331 HD1 PHE 41 HD1 PHE 41 7.302 5.891 0.873 332 HD2 PHE 41 HD2 PHE 41 4.585 8.803 -0.621 333 HE1 PHE 41 HE1 PHE 41 8.204 7.538 2.461 334 HE2 PHE 41 HE2 PHE 41 5.480 10.456 0.968 335 HZ PHE 41 HZ PHE 41 7.294 9.823 2.512 336 H ASP 42 H ASP 42 6.989 3.888 -2.830 337 HA ASP 42 HA ASP 42 4.747 3.231 -4.612 338 HB2 ASP 42 2HB ASP 42 6.567 3.875 -6.049 339 HB3 ASP 42 3HB ASP 42 7.705 2.884 -5.144 340 H ILE 43 H ILE 43 3.725 1.637 -3.605 341 HA ILE 43 HA ILE 43 5.229 -0.385 -2.126 342 HB ILE 43 HB ILE 43 2.231 -0.134 -2.499 343 HG12 ILE 43 2HG1 ILE 43 3.998 0.706 -0.187 344 HG13 ILE 43 3HG1 ILE 43 3.175 1.793 -1.299 345 HG21 ILE 43 1HG2 ILE 43 3.840 -1.795 -0.560 346 HG22 ILE 43 2HG2 ILE 43 2.979 -2.408 -1.972 347 HG23 ILE 43 3HG2 ILE 43 2.082 -1.700 -0.629 348 HD11 ILE 43 3HD1 ILE 43 1.819 -0.119 0.586 349 HD12 ILE 43 1HD1 ILE 43 1.026 1.042 -0.479 350 HD13 ILE 43 2HD1 ILE 43 2.032 1.612 0.855 351 H ARG 44 H ARG 44 6.060 -2.004 -3.330 352 HA ARG 44 HA ARG 44 4.676 -2.606 -5.861 353 HB2 ARG 44 2HB ARG 44 6.684 -0.995 -5.899 354 HB3 ARG 44 3HB ARG 44 7.658 -2.424 -5.595 355 HG2 ARG 44 2HG ARG 44 6.863 -3.433 -7.649 356 HG3 ARG 44 3HG ARG 44 5.828 -2.032 -7.950 357 HD2 ARG 44 2HD ARG 44 8.003 -0.667 -7.750 358 HD3 ARG 44 3HD ARG 44 8.816 -2.213 -7.981 359 HE ARG 44 HE ARG 44 7.857 -2.347 -10.158 360 HH11 ARG 44 1HH1 ARG 44 7.264 0.681 -8.485 361 HH12 ARG 44 2HH1 ARG 44 6.934 1.559 -9.954 362 HH21 ARG 44 1HH2 ARG 44 7.434 -1.188 -12.084 363 HH22 ARG 44 2HH2 ARG 44 7.055 0.514 -12.000 364 H ALA 45 H ALA 45 5.079 -4.632 -6.800 365 HA ALA 45 HA ALA 45 6.229 -6.654 -5.008 366 HB1 ALA 45 3HB ALA 45 3.927 -7.068 -5.769 367 HB2 ALA 45 1HB ALA 45 5.044 -8.302 -6.352 368 HB3 ALA 45 2HB ALA 45 4.484 -7.035 -7.441 369 H TRP 46 H TRP 46 7.965 -7.832 -5.627 370 HA TRP 46 HA TRP 46 9.336 -6.938 -8.074 371 HB2 TRP 46 2HB TRP 46 10.448 -8.123 -5.515 372 HB3 TRP 46 3HB TRP 46 11.412 -7.690 -6.920 373 HD1 TRP 46 HD1 TRP 46 8.895 -5.820 -4.606 374 HE1 TRP 46 HE1 TRP 46 9.848 -3.475 -4.135 375 HE3 TRP 46 HE3 TRP 46 13.170 -6.119 -7.386 376 HZ2 TRP 46 HZ2 TRP 46 12.122 -1.956 -4.845 377 HZ3 TRP 46 HZ3 TRP 46 14.682 -4.181 -7.438 378 HH2 TRP 46 HH2 TRP 46 14.168 -2.143 -6.193 379 H SER 47 H SER 47 9.995 -8.402 -9.575 380 HA SER 47 HA SER 47 8.903 -11.089 -9.329 381 HB2 SER 47 2HB SER 47 10.292 -9.779 -11.684 382 HB3 SER 47 3HB SER 47 9.365 -11.279 -11.715 383 HG SER 47 HG SER 47 8.111 -8.970 -10.758 384 HA PRO 48 HA PRO 48 12.724 -13.247 -8.434 385 HB2 PRO 48 2HB PRO 48 11.884 -14.966 -10.729 386 HB3 PRO 48 3HB PRO 48 12.418 -15.433 -9.110 387 HG2 PRO 48 2HG PRO 48 9.840 -15.517 -9.755 388 HG3 PRO 48 3HG PRO 48 10.357 -14.972 -8.148 389 HD2 PRO 48 2HD PRO 48 9.350 -13.382 -10.458 390 HD3 PRO 48 3HD PRO 48 9.147 -13.100 -8.717 391 H ASP 49 H ASP 49 11.995 -13.256 -11.948 392 HA ASP 49 HA ASP 49 14.189 -11.506 -12.507 393 HB2 ASP 49 2HB ASP 49 15.451 -13.584 -12.226 394 HB3 ASP 49 3HB ASP 49 14.420 -14.387 -13.402 395 H HIS 50 H HIS 50 12.470 -10.341 -13.415 396 HA HIS 50 HA HIS 50 11.264 -9.518 -15.166 397 HB2 HIS 50 2HB HIS 50 13.582 -10.017 -16.201 398 HB3 HIS 50 3HB HIS 50 12.791 -11.393 -16.962 399 HD1 HIS 50 HD1 HIS 50 11.942 -10.915 -19.239 400 HD2 HIS 50 HD2 HIS 50 12.074 -7.489 -16.880 401 HE1 HIS 50 HE1 HIS 50 11.238 -9.026 -20.740 402 HE2 HIS 50 HE2 HIS 50 11.556 -6.949 -19.353 403 H THR 51 H THR 51 10.179 -11.757 -13.767 404 HA THR 51 HA THR 51 9.309 -13.870 -15.382 405 HB THR 51 HB THR 51 7.813 -12.895 -12.966 406 HG1 THR 51 HG1 THR 51 10.280 -14.349 -13.013 407 HG21 THR 51 3HG2 THR 51 7.563 -15.307 -12.548 408 HG22 THR 51 1HG2 THR 51 8.472 -15.651 -14.019 409 HG23 THR 51 2HG2 THR 51 6.908 -14.847 -14.117 410 H LYS 52 H LYS 52 7.231 -11.281 -14.032 411 HA LYS 52 HA LYS 52 5.651 -11.386 -16.508 412 HB2 LYS 52 2HB LYS 52 4.473 -11.250 -13.720 413 HB3 LYS 52 3HB LYS 52 3.571 -11.252 -15.225 414 HG2 LYS 52 2HG LYS 52 4.191 -13.521 -15.668 415 HG3 LYS 52 3HG LYS 52 5.303 -13.530 -14.297 416 HD2 LYS 52 2HD LYS 52 3.331 -13.087 -12.812 417 HD3 LYS 52 3HD LYS 52 2.294 -13.334 -14.215 418 HE2 LYS 52 2HE LYS 52 3.094 -15.606 -14.455 419 HE3 LYS 52 3HE LYS 52 4.252 -15.368 -13.147 420 HZ1 LYS 52 3HZ LYS 52 2.363 -15.008 -11.632 421 HZ2 LYS 52 1HZ LYS 52 2.338 -16.552 -12.335 422 HZ3 LYS 52 2HZ LYS 52 1.286 -15.348 -12.902 423 H MET 53 H MET 53 5.109 -9.635 -13.513 424 HA MET 53 HA MET 53 6.377 -7.230 -14.153 425 HB2 MET 53 2HB MET 53 4.652 -7.021 -15.891 426 HB3 MET 53 3HB MET 53 3.392 -7.267 -14.686 427 HG2 MET 53 2HG MET 53 4.073 -5.210 -13.561 428 HG3 MET 53 3HG MET 53 5.327 -4.964 -14.772 429 HE1 MET 53 3HE MET 53 2.719 -2.167 -15.639 430 HE2 MET 53 1HE MET 53 4.389 -2.517 -15.192 431 HE3 MET 53 2HE MET 53 3.093 -2.761 -14.019 432 H GLY 54 H GLY 54 3.404 -8.527 -12.720 433 HA2 GLY 54 2HA GLY 54 3.209 -8.961 -10.396 434 HA3 GLY 54 3HA GLY 54 4.430 -7.735 -10.087 435 H LYS 55 H LYS 55 3.306 -6.523 -8.673 436 HA LYS 55 HA LYS 55 1.113 -4.934 -9.761 437 HB2 LYS 55 2HB LYS 55 1.033 -6.428 -7.131 438 HB3 LYS 55 3HB LYS 55 -0.069 -5.121 -7.533 439 HG2 LYS 55 2HG LYS 55 0.206 -7.688 -9.081 440 HG3 LYS 55 3HG LYS 55 -1.046 -7.352 -7.884 441 HD2 LYS 55 2HD LYS 55 -1.878 -5.514 -9.230 442 HD3 LYS 55 3HD LYS 55 -0.579 -5.754 -10.401 443 HE2 LYS 55 2HE LYS 55 -2.690 -7.794 -9.723 444 HE3 LYS 55 3HE LYS 55 -2.749 -6.715 -11.114 445 HZ1 LYS 55 3HZ LYS 55 -0.617 -8.727 -10.601 446 HZ2 LYS 55 1HZ LYS 55 -0.745 -7.729 -11.964 447 HZ3 LYS 55 2HZ LYS 55 -1.910 -8.923 -11.682 448 H GLY 56 H GLY 56 0.685 -3.028 -8.261 449 HA2 GLY 56 2HA GLY 56 2.360 -2.147 -6.278 450 HA3 GLY 56 3HA GLY 56 3.189 -1.740 -7.774 451 H ILE 57 H ILE 57 2.238 0.152 -5.876 452 HA ILE 57 HA ILE 57 0.620 1.756 -7.650 453 HB ILE 57 HB ILE 57 -1.114 0.509 -6.439 454 HG12 ILE 57 2HG1 ILE 57 -0.981 3.395 -5.538 455 HG13 ILE 57 3HG1 ILE 57 -1.502 2.864 -7.133 456 HG21 ILE 57 1HG2 ILE 57 0.084 1.711 -3.952 457 HG22 ILE 57 2HG2 ILE 57 0.075 0.004 -4.400 458 HG23 ILE 57 3HG2 ILE 57 -1.440 0.828 -4.030 459 HD11 ILE 57 3HD1 ILE 57 -3.399 3.385 -5.711 460 HD12 ILE 57 1HD1 ILE 57 -2.853 2.198 -4.526 461 HD13 ILE 57 2HD1 ILE 57 -3.379 1.670 -6.123 462 H THR 58 H THR 58 1.178 3.830 -7.499 463 HA THR 58 HA THR 58 3.158 4.578 -5.520 464 HB THR 58 HB THR 58 3.254 6.712 -6.878 465 HG1 THR 58 HG1 THR 58 1.073 6.344 -7.775 466 HG21 THR 58 3HG2 THR 58 4.830 4.861 -7.234 467 HG22 THR 58 1HG2 THR 58 4.447 5.683 -8.748 468 HG23 THR 58 2HG2 THR 58 3.703 4.126 -8.375 469 H LEU 59 H LEU 59 2.868 5.963 -3.885 470 HA LEU 59 HA LEU 59 0.205 7.197 -3.591 471 HB2 LEU 59 2HB LEU 59 2.041 6.219 -1.404 472 HB3 LEU 59 3HB LEU 59 0.466 6.947 -1.174 473 HG LEU 59 HG LEU 59 1.004 4.285 -2.492 474 HD11 LEU 59 1HD1 LEU 59 -0.127 3.353 -0.539 475 HD12 LEU 59 2HD1 LEU 59 -0.264 4.969 0.155 476 HD13 LEU 59 3HD1 LEU 59 1.326 4.240 -0.077 477 HD21 LEU 59 3HD2 LEU 59 -1.602 5.676 -1.901 478 HD22 LEU 59 1HD2 LEU 59 -1.425 4.027 -2.503 479 HD23 LEU 59 2HD2 LEU 59 -0.912 5.390 -3.498 480 H SER 60 H SER 60 0.127 9.339 -3.118 481 HA SER 60 HA SER 60 2.523 10.894 -3.321 482 HB2 SER 60 2HB SER 60 -0.195 11.865 -2.417 483 HB3 SER 60 3HB SER 60 1.087 12.805 -3.180 484 HG SER 60 HG SER 60 -0.646 10.883 -4.312 485 H ASN 61 H ASN 61 3.139 12.515 -1.644 486 HA ASN 61 HA ASN 61 3.871 11.274 0.719 487 HB2 ASN 61 2HB ASN 61 3.610 14.224 0.114 488 HB3 ASN 61 3HB ASN 61 4.362 13.592 1.573 489 HD21 ASN 61 1HD2 ASN 61 6.371 14.410 1.143 490 HD22 ASN 61 2HD2 ASN 61 7.377 13.834 -0.139 491 H GLU 62 H GLU 62 1.216 13.579 0.209 492 HA GLU 62 HA GLU 62 0.280 13.597 2.867 493 HB2 GLU 62 2HB GLU 62 -0.390 15.317 1.315 494 HB3 GLU 62 3HB GLU 62 -1.147 14.136 0.256 495 HG2 GLU 62 2HG GLU 62 -2.796 13.645 2.010 496 HG3 GLU 62 3HG GLU 62 -2.050 14.869 3.036 497 H GLU 63 H GLU 63 -0.671 11.653 0.072 498 HA GLU 63 HA GLU 63 -2.843 10.340 1.297 499 HB2 GLU 63 2HB GLU 63 -1.146 9.252 -0.950 500 HB3 GLU 63 3HB GLU 63 -2.841 8.911 -0.618 501 HG2 GLU 63 2HG GLU 63 -3.405 11.234 -1.135 502 HG3 GLU 63 3HG GLU 63 -1.710 11.559 -1.496 503 H PHE 64 H PHE 64 0.556 9.475 0.894 504 HA PHE 64 HA PHE 64 0.414 6.900 2.029 505 HB2 PHE 64 2HB PHE 64 2.312 7.897 0.668 506 HB3 PHE 64 3HB PHE 64 2.795 8.757 2.126 507 HD1 PHE 64 HD1 PHE 64 2.295 5.386 0.691 508 HD2 PHE 64 HD2 PHE 64 4.092 7.705 3.773 509 HE1 PHE 64 HE1 PHE 64 3.627 3.438 1.374 510 HE2 PHE 64 HE2 PHE 64 5.422 5.755 4.465 511 HZ PHE 64 HZ PHE 64 5.194 3.623 3.263 512 H GLN 65 H GLN 65 1.195 10.064 3.425 513 HA GLN 65 HA GLN 65 1.677 9.247 6.056 514 HB2 GLN 65 2HB GLN 65 1.948 11.560 4.875 515 HB3 GLN 65 3HB GLN 65 0.293 11.834 5.384 516 HG2 GLN 65 2HG GLN 65 2.516 11.138 7.284 517 HG3 GLN 65 3HG GLN 65 2.076 12.789 6.864 518 HE21 GLN 65 1HE2 GLN 65 1.261 9.991 8.690 519 HE22 GLN 65 2HE2 GLN 65 -0.067 10.677 9.551 520 H THR 66 H THR 66 -1.321 10.153 4.420 521 HA THR 66 HA THR 66 -3.087 10.151 6.545 522 HB THR 66 HB THR 66 -3.616 9.259 3.704 523 HG1 THR 66 HG1 THR 66 -2.840 11.366 3.736 524 HG21 THR 66 3HG2 THR 66 -5.534 10.231 5.827 525 HG22 THR 66 1HG2 THR 66 -5.425 8.583 5.207 526 HG23 THR 66 2HG2 THR 66 -5.945 9.893 4.146 527 H MET 67 H MET 67 -2.053 7.362 4.555 528 HA MET 67 HA MET 67 -3.768 5.563 5.979 529 HB2 MET 67 2HB MET 67 -2.844 3.805 4.688 530 HB3 MET 67 3HB MET 67 -2.940 5.191 3.619 531 HG2 MET 67 2HG MET 67 -0.881 4.360 3.091 532 HG3 MET 67 3HG MET 67 -0.459 5.557 4.314 533 HE1 MET 67 3HE MET 67 1.935 4.266 4.448 534 HE2 MET 67 1HE MET 67 1.367 3.053 3.301 535 HE3 MET 67 2HE MET 67 2.082 2.551 4.833 536 H VAL 68 H VAL 68 -0.538 6.736 6.388 537 HA VAL 68 HA VAL 68 0.465 4.709 8.060 538 HB VAL 68 HB VAL 68 1.228 7.594 7.684 539 HG11 VAL 68 1HG1 VAL 68 2.583 5.590 9.486 540 HG12 VAL 68 2HG1 VAL 68 1.777 7.077 9.989 541 HG13 VAL 68 3HG1 VAL 68 3.246 7.156 9.015 542 HG21 VAL 68 3HG2 VAL 68 2.408 4.941 6.899 543 HG22 VAL 68 1HG2 VAL 68 3.284 6.464 6.761 544 HG23 VAL 68 2HG2 VAL 68 1.799 6.218 5.846 545 H ASP 69 H ASP 69 -1.178 7.789 8.875 546 HA ASP 69 HA ASP 69 -1.009 7.233 11.687 547 HB2 ASP 69 2HB ASP 69 -2.313 9.205 12.052 548 HB3 ASP 69 3HB ASP 69 -1.178 9.558 10.758 549 H ALA 70 H ALA 70 -3.365 6.688 9.152 550 HA ALA 70 HA ALA 70 -5.548 5.947 10.748 551 HB1 ALA 70 3HB ALA 70 -5.714 6.351 8.340 552 HB2 ALA 70 1HB ALA 70 -6.378 4.778 8.779 553 HB3 ALA 70 2HB ALA 70 -4.784 4.886 8.031 554 H PHE 71 H PHE 71 -2.952 3.960 9.328 555 HA PHE 71 HA PHE 71 -3.847 1.583 10.649 556 HB2 PHE 71 2HB PHE 71 -1.308 2.222 9.146 557 HB3 PHE 71 3HB PHE 71 -1.649 0.641 9.846 558 HD1 PHE 71 HD2 PHE 71 -4.408 0.155 9.278 559 HD2 PHE 71 HD1 PHE 71 -1.485 2.074 6.854 560 HE1 PHE 71 HE2 PHE 71 -5.680 -0.461 7.267 561 HE2 PHE 71 HE1 PHE 71 -2.756 1.462 4.838 562 HZ PHE 71 HZ PHE 71 -4.852 0.196 5.041 563 H LYS 72 H LYS 72 -1.853 4.229 11.556 564 HA LYS 72 HA LYS 72 -0.485 3.015 13.706 565 HB2 LYS 72 2HB LYS 72 0.028 5.298 12.902 566 HB3 LYS 72 3HB LYS 72 -1.536 5.848 13.480 567 HG2 LYS 72 2HG LYS 72 -0.802 5.134 15.788 568 HG3 LYS 72 3HG LYS 72 0.810 4.918 15.108 569 HD2 LYS 72 2HD LYS 72 0.788 7.279 14.388 570 HD3 LYS 72 3HD LYS 72 -0.789 7.477 15.157 571 HE2 LYS 72 2HE LYS 72 0.264 6.756 17.306 572 HE3 LYS 72 3HE LYS 72 1.826 6.798 16.491 573 HZ1 LYS 72 3HZ LYS 72 1.630 8.854 17.555 574 HZ2 LYS 72 1HZ LYS 72 0.013 9.062 17.088 575 HZ3 LYS 72 2HZ LYS 72 1.249 9.189 15.938 576 H GLY 73 H GLY 73 -3.736 4.163 13.244 577 HA2 GLY 73 2HA GLY 73 -4.405 4.072 16.051 578 HA3 GLY 73 3HA GLY 73 -5.497 4.431 14.726 579 H ASN 74 H ASN 74 -4.627 1.820 13.381 580 HA ASN 74 HA ASN 74 -6.243 0.074 15.113 581 HB2 ASN 74 2HB ASN 74 -7.689 -0.567 13.372 582 HB3 ASN 74 3HB ASN 74 -7.558 1.180 13.217 583 HD21 ASN 74 1HD2 ASN 74 -6.362 2.046 11.475 584 HD22 ASN 74 2HD2 ASN 74 -6.011 1.092 10.078 585 H LEU 75 H LEU 75 -6.262 -2.231 14.280 586 HA LEU 75 HA LEU 75 -5.295 -4.164 13.609 587 HB2 LEU 75 2HB LEU 75 -4.829 -2.930 11.488 588 HB3 LEU 75 3HB LEU 75 -3.260 -2.492 12.138 589 HG LEU 75 HG LEU 75 -2.754 -4.955 12.327 590 HD11 LEU 75 1HD1 LEU 75 -4.101 -6.489 10.993 591 HD12 LEU 75 2HD1 LEU 75 -5.243 -5.190 10.645 592 HD13 LEU 75 3HD1 LEU 75 -5.048 -5.774 12.299 593 HD21 LEU 75 3HD2 LEU 75 -1.851 -3.614 10.520 594 HD22 LEU 75 1HD2 LEU 75 -3.326 -3.847 9.581 595 HD23 LEU 75 2HD2 LEU 75 -2.281 -5.222 9.938 596 H GLU 76 H GLU 76 -3.757 -1.869 15.470 597 HA GLU 76 HA GLU 76 -1.316 -3.295 15.939 598 HB2 GLU 76 2HB GLU 76 -1.126 -0.983 16.221 599 HB3 GLU 76 3HB GLU 76 -2.601 -0.878 17.173 600 HG2 GLU 76 2HG GLU 76 -0.728 -0.522 18.607 601 HG3 GLU 76 3HG GLU 76 -1.451 -2.079 19.006 602 H HIS 77 H HIS 77 -1.327 -5.147 16.903 603 HA HIS 77 HA HIS 77 -2.236 -5.308 19.632 604 HB2 HIS 77 2HB HIS 77 -3.518 -7.373 19.371 605 HB3 HIS 77 3HB HIS 77 -4.247 -6.085 18.426 606 HD1 HIS 77 HD1 HIS 77 -3.146 -9.520 18.196 607 HD2 HIS 77 HD2 HIS 77 -3.597 -6.338 15.550 608 HE1 HIS 77 HE1 HIS 77 -3.190 -10.544 15.897 609 HE2 HIS 77 HE2 HIS 77 -3.737 -8.628 14.352 610 H HIS 78 H HIS 78 0.222 -5.188 18.233 611 HA HIS 78 HA HIS 78 1.478 -7.659 17.793 612 HB2 HIS 78 2HB HIS 78 2.179 -5.092 17.400 613 HB3 HIS 78 3HB HIS 78 3.078 -5.396 18.881 614 HD1 HIS 78 HD1 HIS 78 4.403 -4.830 16.100 615 HD2 HIS 78 HD2 HIS 78 3.812 -8.596 17.770 616 HE1 HIS 78 HE1 HIS 78 6.096 -6.332 15.005 617 HE2 HIS 78 HE2 HIS 78 5.556 -8.642 15.855 618 H HIS 79 H HIS 79 1.492 -9.225 19.309 619 HA HIS 79 HA HIS 79 2.429 -8.511 22.002 620 HB2 HIS 79 2HB HIS 79 0.088 -10.246 21.242 621 HB3 HIS 79 3HB HIS 79 0.900 -10.435 22.792 622 HD1 HIS 79 HD1 HIS 79 1.004 -6.940 22.108 623 HD2 HIS 79 HD2 HIS 79 -1.944 -9.565 23.424 624 HE1 HIS 79 HE1 HIS 79 -0.728 -5.505 23.228 625 HE2 HIS 79 HE2 HIS 79 -2.378 -7.137 24.215 626 H HIS 80 H HIS 80 2.879 -10.744 23.212 627 HA HIS 80 HA HIS 80 5.045 -11.882 21.676 628 HB2 HIS 80 2HB HIS 80 5.253 -11.251 24.088 629 HB3 HIS 80 3HB HIS 80 4.147 -12.558 24.486 630 HD1 HIS 80 HD1 HIS 80 7.651 -11.814 24.095 631 HD2 HIS 80 HD2 HIS 80 5.268 -15.199 23.719 632 HE1 HIS 80 HE1 HIS 80 9.225 -13.770 24.231 633 HE2 HIS 80 HE2 HIS 80 7.734 -15.802 24.228 634 H HIS 81 H HIS 81 2.099 -13.130 23.262 635 HA HIS 81 HA HIS 81 2.160 -15.381 21.398 636 HB2 HIS 81 2HB HIS 81 2.045 -17.067 23.034 637 HB3 HIS 81 3HB HIS 81 3.281 -15.980 23.646 638 HD1 HIS 81 HD1 HIS 81 2.701 -14.608 25.800 639 HD2 HIS 81 HD2 HIS 81 -0.260 -17.274 24.590 640 HE1 HIS 81 HE1 HIS 81 1.096 -14.765 27.725 641 HE2 HIS 81 HE2 HIS 81 -0.765 -16.261 26.922 642 H HIS 82 H HIS 82 0.113 -16.619 21.427 643 HA HIS 82 HA HIS 82 -2.152 -15.089 22.509 644 HB2 HIS 82 2HB HIS 82 -2.048 -14.726 20.067 645 HB3 HIS 82 3HB HIS 82 -2.062 -16.467 19.809 646 HD1 HIS 82 HD1 HIS 82 -4.248 -16.420 18.470 647 HD2 HIS 82 HD2 HIS 82 -4.609 -14.854 22.311 648 HE1 HIS 82 HE1 HIS 82 -6.718 -16.185 18.886 649 HE2 HIS 82 HE2 HIS 82 -6.914 -15.398 21.271 650 H1 MET 1 1H MET 1 -9.602 -11.585 -16.976 651 H2 MET 1 2H MET 1 -9.602 -13.215 -17.441 652 H3 MET 1 3H MET 1 -8.917 -12.759 -15.967 653 HA MET 1 HA MET 1 -11.040 -13.770 -15.584 654 HB2 MET 1 2HB MET 1 -10.366 -11.968 -14.082 655 HB3 MET 1 3HB MET 1 -11.037 -10.770 -15.177 656 HG2 MET 1 2HG MET 1 -13.275 -11.670 -14.793 657 HG3 MET 1 3HG MET 1 -12.603 -12.872 -13.692 658 HE1 MET 1 3HE MET 1 -14.528 -10.414 -11.313 659 HE2 MET 1 1HE MET 1 -14.362 -12.084 -11.856 660 HE3 MET 1 2HE MET 1 -14.994 -10.857 -12.955 661 H LYS 2 H LYS 2 -12.408 -14.537 -17.029 662 HA LYS 2 HA LYS 2 -14.714 -13.319 -17.789 663 HB2 LYS 2 2HB LYS 2 -13.088 -11.892 -19.206 664 HB3 LYS 2 3HB LYS 2 -12.942 -13.321 -20.221 665 HG2 LYS 2 2HG LYS 2 -15.275 -13.276 -20.735 666 HG3 LYS 2 3HG LYS 2 -15.556 -11.987 -19.564 667 HD2 LYS 2 2HD LYS 2 -13.834 -10.664 -20.979 668 HD3 LYS 2 3HD LYS 2 -14.196 -11.862 -22.225 669 HE2 LYS 2 2HE LYS 2 -15.598 -9.884 -22.482 670 HE3 LYS 2 3HE LYS 2 -16.571 -11.301 -22.079 671 HZ1 LYS 2 3HZ LYS 2 -16.720 -10.566 -19.817 672 HZ2 LYS 2 1HZ LYS 2 -17.198 -9.286 -20.822 673 HZ3 LYS 2 2HZ LYS 2 -15.664 -9.273 -20.103 674 H LYS 3 H LYS 3 -12.172 -15.475 -18.806 675 HA LYS 3 HA LYS 3 -14.061 -17.640 -19.135 676 HB2 LYS 3 2HB LYS 3 -14.130 -16.498 -21.314 677 HB3 LYS 3 3HB LYS 3 -12.388 -16.666 -21.462 678 HG2 LYS 3 2HG LYS 3 -14.003 -19.127 -21.092 679 HG3 LYS 3 3HG LYS 3 -14.069 -18.312 -22.652 680 HD2 LYS 3 2HD LYS 3 -11.573 -18.403 -22.716 681 HD3 LYS 3 3HD LYS 3 -11.624 -19.383 -21.250 682 HE2 LYS 3 2HE LYS 3 -11.422 -20.820 -23.181 683 HE3 LYS 3 3HE LYS 3 -13.004 -21.041 -22.434 684 HZ1 LYS 3 3HZ LYS 3 -13.213 -20.927 -24.816 685 HZ2 LYS 3 1HZ LYS 3 -12.419 -19.427 -24.861 686 HZ3 LYS 3 2HZ LYS 3 -13.944 -19.559 -24.130 687 H MET 4 H MET 4 -10.693 -16.579 -19.573 688 HA MET 4 HA MET 4 -9.695 -19.278 -19.404 689 HB2 MET 4 2HB MET 4 -8.658 -17.485 -20.809 690 HB3 MET 4 3HB MET 4 -8.144 -16.688 -19.331 691 HG2 MET 4 2HG MET 4 -6.776 -18.599 -18.742 692 HG3 MET 4 3HG MET 4 -7.324 -19.454 -20.183 693 HE1 MET 4 3HE MET 4 -4.887 -19.923 -21.070 694 HE2 MET 4 1HE MET 4 -4.282 -19.212 -19.575 695 HE3 MET 4 2HE MET 4 -3.619 -18.695 -21.128 696 H ALA 5 H ALA 5 -8.729 -16.425 -17.483 697 HA ALA 5 HA ALA 5 -8.550 -18.195 -15.139 698 HB1 ALA 5 3HB ALA 5 -7.133 -16.452 -14.142 699 HB2 ALA 5 1HB ALA 5 -7.320 -15.472 -15.596 700 HB3 ALA 5 2HB ALA 5 -6.480 -17.023 -15.677 701 H GLU 6 H GLU 6 -10.471 -18.208 -14.142 702 HA GLU 6 HA GLU 6 -11.941 -15.665 -13.949 703 HB2 GLU 6 2HB GLU 6 -12.934 -17.603 -15.292 704 HB3 GLU 6 3HB GLU 6 -13.152 -18.417 -13.751 705 HG2 GLU 6 2HG GLU 6 -15.206 -17.402 -14.263 706 HG3 GLU 6 3HG GLU 6 -14.469 -16.413 -13.001 707 H PHE 7 H PHE 7 -12.062 -14.828 -11.997 708 HA PHE 7 HA PHE 7 -12.404 -16.589 -9.688 709 HB2 PHE 7 2HB PHE 7 -10.406 -14.321 -9.854 710 HB3 PHE 7 3HB PHE 7 -10.908 -15.080 -8.347 711 HD1 PHE 7 HD2 PHE 7 -10.332 -17.439 -7.900 712 HD2 PHE 7 HD1 PHE 7 -8.818 -15.358 -11.291 713 HE1 PHE 7 HE2 PHE 7 -8.587 -19.153 -8.167 714 HE2 PHE 7 HE1 PHE 7 -7.070 -17.071 -11.566 715 HZ PHE 7 HZ PHE 7 -6.953 -18.968 -10.002 716 H THR 8 H THR 8 -13.411 -15.510 -7.874 717 HA THR 8 HA THR 8 -15.042 -13.215 -8.707 718 HB THR 8 HB THR 8 -16.392 -13.846 -6.628 719 HG1 THR 8 HG1 THR 8 -15.890 -15.669 -5.594 720 HG21 THR 8 3HG2 THR 8 -17.567 -15.675 -7.776 721 HG22 THR 8 1HG2 THR 8 -16.207 -15.851 -8.885 722 HG23 THR 8 2HG2 THR 8 -17.165 -14.368 -8.891 723 H PHE 9 H PHE 9 -15.062 -11.324 -7.533 724 HA PHE 9 HA PHE 9 -13.278 -11.217 -5.196 725 HB2 PHE 9 2HB PHE 9 -12.564 -8.966 -5.830 726 HB3 PHE 9 3HB PHE 9 -12.172 -10.122 -7.092 727 HD1 PHE 9 HD2 PHE 9 -13.623 -10.196 -9.153 728 HD2 PHE 9 HD1 PHE 9 -13.876 -7.077 -6.265 729 HE1 PHE 9 HE2 PHE 9 -14.754 -8.765 -10.802 730 HE2 PHE 9 HE1 PHE 9 -15.008 -5.643 -7.912 731 HZ PHE 9 HZ PHE 9 -15.449 -6.487 -10.185 732 H GLU 10 H GLU 10 -14.277 -10.665 -3.424 733 HA GLU 10 HA GLU 10 -16.845 -9.229 -3.637 734 HB2 GLU 10 2HB GLU 10 -15.909 -11.263 -1.608 735 HB3 GLU 10 3HB GLU 10 -17.406 -10.352 -1.471 736 HG2 GLU 10 2HG GLU 10 -16.773 -12.091 -3.830 737 HG3 GLU 10 3HG GLU 10 -17.593 -12.688 -2.390 738 H ILE 11 H ILE 11 -16.688 -7.194 -3.017 739 HA ILE 11 HA ILE 11 -14.589 -6.255 -1.307 740 HB ILE 11 HB ILE 11 -17.063 -4.814 -2.305 741 HG12 ILE 11 2HG1 ILE 11 -15.254 -3.569 -3.662 742 HG13 ILE 11 3HG1 ILE 11 -14.203 -4.919 -3.259 743 HG21 ILE 11 1HG2 ILE 11 -14.645 -3.708 -0.881 744 HG22 ILE 11 2HG2 ILE 11 -16.272 -3.840 -0.218 745 HG23 ILE 11 3HG2 ILE 11 -15.959 -2.753 -1.571 746 HD11 ILE 11 3HD1 ILE 11 -16.793 -5.099 -4.781 747 HD12 ILE 11 1HD1 ILE 11 -15.729 -6.450 -4.384 748 HD13 ILE 11 2HD1 ILE 11 -15.172 -5.172 -5.467 749 H GLU 12 H GLU 12 -14.630 -6.870 0.746 750 HA GLU 12 HA GLU 12 -17.159 -7.303 2.100 751 HB2 GLU 12 2HB GLU 12 -14.302 -7.767 2.963 752 HB3 GLU 12 3HB GLU 12 -15.714 -8.191 3.922 753 HG2 GLU 12 2HG GLU 12 -15.159 -9.280 1.176 754 HG3 GLU 12 3HG GLU 12 -14.690 -10.082 2.676 755 H GLU 13 H GLU 13 -14.136 -5.619 2.927 756 HA GLU 13 HA GLU 13 -15.726 -3.796 4.606 757 HB2 GLU 13 2HB GLU 13 -14.673 -5.599 5.940 758 HB3 GLU 13 3HB GLU 13 -13.101 -5.109 5.332 759 HG2 GLU 13 2HG GLU 13 -13.367 -2.934 6.422 760 HG3 GLU 13 3HG GLU 13 -14.927 -3.457 7.059 761 H HIS 14 H HIS 14 -14.979 -1.710 4.799 762 HA HIS 14 HA HIS 14 -12.748 -0.945 3.031 763 HB2 HIS 14 2HB HIS 14 -14.958 0.750 4.231 764 HB3 HIS 14 3HB HIS 14 -13.655 1.362 3.225 765 HD1 HIS 14 HD1 HIS 14 -17.016 -0.023 3.072 766 HD2 HIS 14 HD2 HIS 14 -13.798 0.413 0.478 767 HE1 HIS 14 HE1 HIS 14 -17.959 -0.348 0.766 768 HE2 HIS 14 HE2 HIS 14 -16.058 0.226 -0.782 769 H LEU 15 H LEU 15 -10.865 -0.780 4.114 770 HA LEU 15 HA LEU 15 -10.732 -0.381 6.933 771 HB2 LEU 15 2HB LEU 15 -8.598 -0.167 4.806 772 HB3 LEU 15 3HB LEU 15 -8.287 -0.124 6.533 773 HG LEU 15 HG LEU 15 -9.475 -2.462 5.034 774 HD11 LEU 15 1HD1 LEU 15 -7.343 -3.550 5.475 775 HD12 LEU 15 2HD1 LEU 15 -6.729 -2.068 6.205 776 HD13 LEU 15 3HD1 LEU 15 -7.130 -2.106 4.489 777 HD21 LEU 15 3HD2 LEU 15 -8.598 -2.209 7.911 778 HD22 LEU 15 1HD2 LEU 15 -9.177 -3.678 7.124 779 HD23 LEU 15 2HD2 LEU 15 -10.267 -2.308 7.347 780 H LEU 16 H LEU 16 -9.640 1.654 4.219 781 HA LEU 16 HA LEU 16 -10.978 3.936 5.265 782 HB2 LEU 16 2HB LEU 16 -9.042 5.369 5.635 783 HB3 LEU 16 3HB LEU 16 -9.059 4.022 6.754 784 HG LEU 16 HG LEU 16 -7.459 3.554 4.331 785 HD11 LEU 16 1HD1 LEU 16 -7.012 5.927 4.639 786 HD12 LEU 16 2HD1 LEU 16 -5.605 4.963 5.086 787 HD13 LEU 16 3HD1 LEU 16 -6.640 5.648 6.339 788 HD21 LEU 16 3HD2 LEU 16 -5.896 2.674 5.970 789 HD22 LEU 16 1HD2 LEU 16 -7.514 2.038 6.265 790 HD23 LEU 16 2HD2 LEU 16 -6.872 3.330 7.283 791 H THR 17 H THR 17 -11.392 5.365 3.702 792 HA THR 17 HA THR 17 -10.307 4.892 1.059 793 HB THR 17 HB THR 17 -12.296 6.971 2.018 794 HG1 THR 17 HG1 THR 17 -13.084 4.824 0.400 795 HG21 THR 17 3HG2 THR 17 -12.862 7.237 -0.352 796 HG22 THR 17 1HG2 THR 17 -11.596 6.088 -0.786 797 HG23 THR 17 2HG2 THR 17 -11.169 7.636 -0.057 798 H LEU 18 H LEU 18 -8.438 5.790 0.485 799 HA LEU 18 HA LEU 18 -7.096 7.668 2.122 800 HB2 LEU 18 2HB LEU 18 -6.499 6.693 -0.670 801 HB3 LEU 18 3HB LEU 18 -5.419 7.705 0.268 802 HG LEU 18 HG LEU 18 -6.295 4.921 1.032 803 HD11 LEU 18 1HD1 LEU 18 -4.802 4.981 -0.922 804 HD12 LEU 18 2HD1 LEU 18 -4.029 4.265 0.494 805 HD13 LEU 18 3HD1 LEU 18 -3.639 5.918 0.019 806 HD21 LEU 18 3HD2 LEU 18 -4.266 6.764 2.282 807 HD22 LEU 18 1HD2 LEU 18 -4.624 5.111 2.785 808 HD23 LEU 18 2HD2 LEU 18 -5.849 6.370 2.954 809 H SER 19 H SER 19 -7.880 8.009 -1.315 810 HA SER 19 HA SER 19 -9.110 10.515 -1.195 811 HB2 SER 19 2HB SER 19 -7.141 11.878 -2.063 812 HB3 SER 19 3HB SER 19 -7.064 11.439 -0.357 813 HG SER 19 HG SER 19 -5.247 10.965 -2.164 814 H GLU 20 H GLU 20 -9.321 11.480 -3.361 815 HA GLU 20 HA GLU 20 -8.877 9.447 -5.427 816 HB2 GLU 20 2HB GLU 20 -10.621 10.513 -6.717 817 HB3 GLU 20 3HB GLU 20 -11.213 10.170 -5.101 818 HG2 GLU 20 2HG GLU 20 -10.816 12.521 -4.491 819 HG3 GLU 20 3HG GLU 20 -10.323 12.838 -6.156 820 H ASN 21 H ASN 21 -7.793 9.876 -7.254 821 HA ASN 21 HA ASN 21 -6.065 12.229 -7.200 822 HB2 ASN 21 2HB ASN 21 -5.961 9.699 -8.858 823 HB3 ASN 21 3HB ASN 21 -4.824 11.034 -9.027 824 HD21 ASN 21 1HD2 ASN 21 -3.327 11.419 -7.383 825 HD22 ASN 21 2HD2 ASN 21 -2.969 10.237 -6.174 826 H GLU 22 H GLU 22 -5.866 13.647 -8.925 827 HA GLU 22 HA GLU 22 -6.746 15.144 -10.367 828 HB2 GLU 22 2HB GLU 22 -7.750 12.596 -11.637 829 HB3 GLU 22 3HB GLU 22 -8.069 14.177 -12.332 830 HG2 GLU 22 2HG GLU 22 -6.204 13.247 -13.460 831 HG3 GLU 22 3HG GLU 22 -5.615 14.556 -12.440 832 H LYS 23 H LYS 23 -9.488 13.117 -10.949 833 HA LYS 23 HA LYS 23 -11.079 13.864 -8.756 834 HB2 LYS 23 2HB LYS 23 -10.988 16.022 -10.257 835 HB3 LYS 23 3HB LYS 23 -12.104 15.125 -11.283 836 HG2 LYS 23 2HG LYS 23 -13.430 14.775 -9.072 837 HG3 LYS 23 3HG LYS 23 -12.498 16.164 -8.513 838 HD2 LYS 23 2HD LYS 23 -14.524 17.034 -9.379 839 HD3 LYS 23 3HD LYS 23 -13.286 17.369 -10.593 840 HE2 LYS 23 2HE LYS 23 -15.318 16.547 -11.645 841 HE3 LYS 23 3HE LYS 23 -13.998 15.399 -11.858 842 HZ1 LYS 23 3HZ LYS 23 -14.901 14.085 -10.028 843 HZ2 LYS 23 1HZ LYS 23 -16.045 14.272 -11.267 844 HZ3 LYS 23 2HZ LYS 23 -16.178 15.187 -9.848 845 H GLY 24 H GLY 24 -11.322 11.604 -8.847 846 HA2 GLY 24 2HA GLY 24 -13.419 10.327 -9.696 847 HA3 GLY 24 3HA GLY 24 -12.615 10.516 -11.250 848 H TRP 25 H TRP 25 -9.928 10.193 -10.218 849 HA TRP 25 HA TRP 25 -9.785 7.328 -10.229 850 HB2 TRP 25 2HB TRP 25 -7.737 9.509 -9.862 851 HB3 TRP 25 3HB TRP 25 -7.317 7.812 -9.680 852 HD1 TRP 25 HD1 TRP 25 -9.031 9.975 -12.437 853 HE1 TRP 25 HE1 TRP 25 -8.104 9.179 -14.709 854 HE3 TRP 25 HE3 TRP 25 -5.985 6.215 -10.794 855 HZ2 TRP 25 HZ2 TRP 25 -6.317 7.214 -15.664 856 HZ3 TRP 25 HZ3 TRP 25 -4.702 4.924 -12.450 857 HH2 TRP 25 HH2 TRP 25 -4.867 5.415 -14.834 858 H THR 26 H THR 26 -10.962 6.686 -8.339 859 HA THR 26 HA THR 26 -10.180 7.954 -5.846 860 HB THR 26 HB THR 26 -12.225 5.759 -6.112 861 HG1 THR 26 HG1 THR 26 -12.497 7.691 -7.587 862 HG21 THR 26 3HG2 THR 26 -13.212 7.001 -4.182 863 HG22 THR 26 1HG2 THR 26 -11.800 8.060 -4.202 864 HG23 THR 26 2HG2 THR 26 -11.610 6.341 -3.849 865 H LYS 27 H LYS 27 -9.156 6.971 -4.181 866 HA LYS 27 HA LYS 27 -7.977 4.343 -4.762 867 HB2 LYS 27 2HB LYS 27 -6.410 6.102 -5.386 868 HB3 LYS 27 3HB LYS 27 -6.586 6.851 -3.809 869 HG2 LYS 27 2HG LYS 27 -5.488 5.010 -2.747 870 HG3 LYS 27 3HG LYS 27 -5.448 4.107 -4.261 871 HD2 LYS 27 2HD LYS 27 -3.276 5.079 -3.866 872 HD3 LYS 27 3HD LYS 27 -4.031 5.885 -5.239 873 HE2 LYS 27 2HE LYS 27 -4.117 6.983 -2.435 874 HE3 LYS 27 3HE LYS 27 -2.833 7.373 -3.577 875 HZ1 LYS 27 3HZ LYS 27 -4.618 8.207 -5.101 876 HZ2 LYS 27 1HZ LYS 27 -4.438 9.104 -3.670 877 HZ3 LYS 27 2HZ LYS 27 -5.721 8.014 -3.831 878 H GLU 28 H GLU 28 -8.358 2.973 -3.175 879 HA GLU 28 HA GLU 28 -8.737 3.994 -0.441 880 HB2 GLU 28 2HB GLU 28 -10.541 1.947 -1.736 881 HB3 GLU 28 3HB GLU 28 -10.759 2.727 -0.178 882 HG2 GLU 28 2HG GLU 28 -11.206 4.833 -1.236 883 HG3 GLU 28 3HG GLU 28 -10.829 4.158 -2.819 884 H ILE 29 H ILE 29 -8.641 2.275 1.191 885 HA ILE 29 HA ILE 29 -7.163 -0.109 0.272 886 HB ILE 29 HB ILE 29 -7.016 1.140 3.026 887 HG12 ILE 29 2HG1 ILE 29 -4.995 1.247 0.771 888 HG13 ILE 29 3HG1 ILE 29 -6.006 2.593 1.284 889 HG21 ILE 29 1HG2 ILE 29 -5.376 -1.038 1.729 890 HG22 ILE 29 2HG2 ILE 29 -6.602 -1.269 2.973 891 HG23 ILE 29 3HG2 ILE 29 -5.125 -0.382 3.347 892 HD11 ILE 29 3HD1 ILE 29 -3.903 1.226 2.945 893 HD12 ILE 29 1HD1 ILE 29 -4.922 2.566 3.470 894 HD13 ILE 29 2HD1 ILE 29 -3.762 2.800 2.163 895 H ASN 30 H ASN 30 -8.333 -1.919 0.435 896 HA ASN 30 HA ASN 30 -10.651 -1.896 2.269 897 HB2 ASN 30 2HB ASN 30 -10.703 -3.322 -0.379 898 HB3 ASN 30 3HB ASN 30 -12.052 -2.800 0.619 899 HD21 ASN 30 1HD2 ASN 30 -9.755 -1.925 -1.797 900 HD22 ASN 30 2HD2 ASN 30 -10.432 -0.367 -2.163 901 H ARG 31 H ARG 31 -11.627 -4.249 2.233 902 HA ARG 31 HA ARG 31 -9.488 -6.260 2.148 903 HB2 ARG 31 2HB ARG 31 -11.745 -6.070 4.154 904 HB3 ARG 31 3HB ARG 31 -10.760 -7.510 3.931 905 HG2 ARG 31 2HG ARG 31 -8.771 -5.904 4.369 906 HG3 ARG 31 3HG ARG 31 -10.004 -4.862 5.081 907 HD2 ARG 31 2HD ARG 31 -9.537 -7.737 5.861 908 HD3 ARG 31 3HD ARG 31 -8.855 -6.354 6.711 909 HE ARG 31 HE ARG 31 -11.277 -5.686 7.078 910 HH11 ARG 31 1HH1 ARG 31 -10.269 -9.024 6.683 911 HH12 ARG 31 2HH1 ARG 31 -11.521 -9.667 7.702 912 HH21 ARG 31 1HH2 ARG 31 -12.929 -6.524 8.439 913 HH22 ARG 31 2HH2 ARG 31 -13.036 -8.245 8.698 914 H VAL 32 H VAL 32 -9.900 -7.215 0.251 915 HA VAL 32 HA VAL 32 -12.692 -7.871 -0.418 916 HB VAL 32 HB VAL 32 -10.264 -7.593 -2.200 917 HG11 VAL 32 1HG1 VAL 32 -11.776 -7.971 -4.086 918 HG12 VAL 32 2HG1 VAL 32 -13.092 -8.315 -2.964 919 HG13 VAL 32 3HG1 VAL 32 -11.691 -9.385 -3.036 920 HG21 VAL 32 3HG2 VAL 32 -11.175 -5.472 -1.466 921 HG22 VAL 32 1HG2 VAL 32 -12.794 -5.969 -1.958 922 HG23 VAL 32 2HG2 VAL 32 -11.539 -5.724 -3.174 923 H SER 33 H SER 33 -13.337 -9.924 -0.678 924 HA SER 33 HA SER 33 -11.436 -12.068 -0.130 925 HB2 SER 33 2HB SER 33 -14.444 -12.110 -0.493 926 HB3 SER 33 3HB SER 33 -13.456 -13.493 -0.016 927 HG SER 33 HG SER 33 -13.136 -11.192 1.495 928 H PHE 34 H PHE 34 -10.795 -13.573 -1.611 929 HA PHE 34 HA PHE 34 -11.766 -13.184 -4.364 930 HB2 PHE 34 2HB PHE 34 -9.003 -13.969 -3.420 931 HB3 PHE 34 3HB PHE 34 -9.516 -13.958 -5.104 932 HD1 PHE 34 HD1 PHE 34 -10.207 -11.788 -6.144 933 HD2 PHE 34 HD2 PHE 34 -8.275 -12.006 -2.361 934 HE1 PHE 34 HE1 PHE 34 -9.592 -9.416 -6.330 935 HE2 PHE 34 HE2 PHE 34 -7.653 -9.629 -2.538 936 HZ PHE 34 HZ PHE 34 -8.312 -8.332 -4.524 937 H ASN 35 H ASN 35 -12.813 -14.822 -5.188 938 HA ASN 35 HA ASN 35 -13.609 -16.889 -5.634 939 HB2 ASN 35 2HB ASN 35 -11.375 -17.496 -6.300 940 HB3 ASN 35 3HB ASN 35 -10.891 -17.755 -4.628 941 HD21 ASN 35 1HD2 ASN 35 -12.732 -19.017 -7.313 942 HD22 ASN 35 2HD2 ASN 35 -12.940 -20.615 -6.661 943 H GLY 36 H GLY 36 -11.735 -17.953 -2.833 944 HA2 GLY 36 2HA GLY 36 -14.156 -17.998 -1.193 945 HA3 GLY 36 3HA GLY 36 -13.363 -19.538 -1.508 946 H ALA 37 H ALA 37 -11.191 -16.977 -1.435 947 HA ALA 37 HA ALA 37 -10.122 -17.875 1.118 948 HB1 ALA 37 3HB ALA 37 -8.601 -17.623 -0.776 949 HB2 ALA 37 1HB ALA 37 -8.173 -16.510 0.523 950 HB3 ALA 37 2HB ALA 37 -9.027 -15.915 -0.902 951 HA PRO 38 HA PRO 38 -11.676 -14.588 3.595 952 HB2 PRO 38 2HB PRO 38 -9.439 -13.864 5.030 953 HB3 PRO 38 3HB PRO 38 -10.463 -15.254 5.401 954 HG2 PRO 38 2HG PRO 38 -7.868 -15.152 3.923 955 HG3 PRO 38 3HG PRO 38 -8.440 -16.340 5.109 956 HD2 PRO 38 2HD PRO 38 -8.476 -16.857 2.477 957 HD3 PRO 38 3HD PRO 38 -9.759 -17.445 3.557 958 H ALA 39 H ALA 39 -11.623 -12.318 3.948 959 HA ALA 39 HA ALA 39 -10.941 -10.827 1.668 960 HB1 ALA 39 3HB ALA 39 -11.601 -9.869 4.448 961 HB2 ALA 39 1HB ALA 39 -12.754 -10.192 3.153 962 HB3 ALA 39 2HB ALA 39 -11.595 -8.872 2.993 963 H LYS 40 H LYS 40 -9.034 -10.135 1.018 964 HA LYS 40 HA LYS 40 -6.897 -9.828 3.001 965 HB2 LYS 40 2HB LYS 40 -6.796 -10.200 0.006 966 HB3 LYS 40 3HB LYS 40 -5.381 -9.835 0.987 967 HG2 LYS 40 2HG LYS 40 -7.126 -12.283 1.157 968 HG3 LYS 40 3HG LYS 40 -5.452 -12.195 0.598 969 HD2 LYS 40 2HD LYS 40 -4.699 -11.578 2.800 970 HD3 LYS 40 3HD LYS 40 -6.361 -11.474 3.382 971 HE2 LYS 40 2HE LYS 40 -6.607 -13.905 2.851 972 HE3 LYS 40 3HE LYS 40 -4.876 -13.941 2.503 973 HZ1 LYS 40 3HZ LYS 40 -5.262 -14.654 4.754 974 HZ2 LYS 40 1HZ LYS 40 -6.149 -13.245 5.101 975 HZ3 LYS 40 2HZ LYS 40 -4.488 -13.155 4.784 976 H PHE 41 H PHE 41 -5.336 -8.058 2.559 977 HA PHE 41 HA PHE 41 -6.904 -5.626 2.503 978 HB2 PHE 41 2HB PHE 41 -3.942 -5.831 3.007 979 HB3 PHE 41 3HB PHE 41 -5.067 -4.607 3.588 980 HD1 PHE 41 HD2 PHE 41 -6.623 -5.137 5.423 981 HD2 PHE 41 HD1 PHE 41 -3.630 -7.884 4.171 982 HE1 PHE 41 HE2 PHE 41 -6.890 -6.374 7.529 983 HE2 PHE 41 HE1 PHE 41 -3.893 -9.135 6.273 984 HZ PHE 41 HZ PHE 41 -5.523 -8.378 7.959 985 H ASP 42 H ASP 42 -7.168 -4.567 0.640 986 HA ASP 42 HA ASP 42 -4.995 -4.732 -1.344 987 HB2 ASP 42 2HB ASP 42 -6.684 -4.462 -3.091 988 HB3 ASP 42 3HB ASP 42 -7.067 -5.853 -2.083 989 H ILE 43 H ILE 43 -4.208 -2.900 -2.209 990 HA ILE 43 HA ILE 43 -5.491 -0.366 -1.451 991 HB ILE 43 HB ILE 43 -2.725 -0.783 -2.611 992 HG12 ILE 43 2HG1 ILE 43 -3.573 -0.180 0.234 993 HG13 ILE 43 3HG1 ILE 43 -2.939 -1.719 -0.338 994 HG21 ILE 43 1HG2 ILE 43 -4.021 1.672 -1.424 995 HG22 ILE 43 2HG2 ILE 43 -3.698 1.401 -3.135 996 HG23 ILE 43 3HG2 ILE 43 -2.359 1.556 -1.999 997 HD11 ILE 43 3HD1 ILE 43 -0.813 -0.652 -0.860 998 HD12 ILE 43 1HD1 ILE 43 -1.247 -0.430 0.835 999 HD13 ILE 43 2HD1 ILE 43 -1.451 0.896 -0.308 1000 H ARG 44 H ARG 44 -6.929 0.215 -2.909 1001 HA ARG 44 HA ARG 44 -6.501 -0.588 -5.710 1002 HB2 ARG 44 2HB ARG 44 -8.290 -1.844 -4.690 1003 HB3 ARG 44 3HB ARG 44 -9.017 -0.380 -4.054 1004 HG2 ARG 44 2HG ARG 44 -9.463 0.343 -6.393 1005 HG3 ARG 44 3HG ARG 44 -8.888 -1.235 -6.935 1006 HD2 ARG 44 2HD ARG 44 -10.608 -2.343 -5.632 1007 HD3 ARG 44 3HD ARG 44 -11.158 -0.791 -5.001 1008 HE ARG 44 HE ARG 44 -11.245 -1.264 -7.902 1009 HH11 ARG 44 1HH1 ARG 44 -12.912 -0.735 -4.855 1010 HH12 ARG 44 2HH1 ARG 44 -14.473 -0.542 -5.601 1011 HH21 ARG 44 1HH2 ARG 44 -13.314 -0.986 -8.882 1012 HH22 ARG 44 2HH2 ARG 44 -14.700 -0.692 -7.872 1013 H ALA 45 H ALA 45 -6.400 0.974 -7.164 1014 HA ALA 45 HA ALA 45 -7.780 3.520 -6.606 1015 HB1 ALA 45 3HB ALA 45 -5.328 3.113 -8.324 1016 HB2 ALA 45 1HB ALA 45 -5.334 3.795 -6.695 1017 HB3 ALA 45 2HB ALA 45 -6.147 4.645 -8.009 1018 H TRP 46 H TRP 46 -9.614 3.531 -7.726 1019 HA TRP 46 HA TRP 46 -9.621 2.183 -10.333 1020 HB2 TRP 46 2HB TRP 46 -12.148 2.110 -9.986 1021 HB3 TRP 46 3HB TRP 46 -11.169 1.044 -8.989 1022 HD1 TRP 46 HD1 TRP 46 -10.932 1.719 -6.357 1023 HE1 TRP 46 HE1 TRP 46 -12.533 3.028 -4.817 1024 HE3 TRP 46 HE3 TRP 46 -13.787 3.998 -9.928 1025 HZ2 TRP 46 HZ2 TRP 46 -14.718 4.791 -5.098 1026 HZ3 TRP 46 HZ3 TRP 46 -15.611 5.479 -9.212 1027 HH2 TRP 46 HH2 TRP 46 -16.067 5.869 -6.844 1028 H SER 47 H SER 47 -10.148 3.216 -12.111 1029 HA SER 47 HA SER 47 -10.290 6.077 -12.073 1030 HB2 SER 47 2HB SER 47 -10.602 4.171 -14.408 1031 HB3 SER 47 3HB SER 47 -10.226 5.891 -14.498 1032 HG SER 47 HG SER 47 -8.439 4.802 -12.895 1033 HA PRO 48 HA PRO 48 -14.647 6.805 -12.218 1034 HB2 PRO 48 2HB PRO 48 -14.827 8.511 -14.397 1035 HB3 PRO 48 3HB PRO 48 -14.421 9.003 -12.748 1036 HG2 PRO 48 2HG PRO 48 -12.612 8.466 -15.068 1037 HG3 PRO 48 3HG PRO 48 -12.501 9.725 -13.823 1038 HD2 PRO 48 2HD PRO 48 -10.951 7.546 -13.749 1039 HD3 PRO 48 3HD PRO 48 -11.591 8.275 -12.262 1040 H ASP 49 H ASP 49 -15.877 5.173 -12.795 1041 HA ASP 49 HA ASP 49 -17.022 3.636 -13.964 1042 HB2 ASP 49 2HB ASP 49 -17.877 5.686 -15.099 1043 HB3 ASP 49 3HB ASP 49 -16.656 5.449 -16.349 1044 H HIS 50 H HIS 50 -15.285 4.452 -16.939 1045 HA HIS 50 HA HIS 50 -13.242 2.511 -16.402 1046 HB2 HIS 50 2HB HIS 50 -13.692 0.964 -18.208 1047 HB3 HIS 50 3HB HIS 50 -15.055 1.007 -17.107 1048 HD1 HIS 50 HD1 HIS 50 -17.106 2.690 -18.084 1049 HD2 HIS 50 HD2 HIS 50 -14.409 1.041 -20.786 1050 HE1 HIS 50 HE1 HIS 50 -18.261 2.736 -20.308 1051 HE2 HIS 50 HE2 HIS 50 -16.700 1.548 -21.884 1052 H THR 51 H THR 51 -11.964 4.320 -16.657 1053 HA THR 51 HA THR 51 -11.611 5.225 -19.433 1054 HB THR 51 HB THR 51 -10.566 6.519 -16.903 1055 HG1 THR 51 HG1 THR 51 -12.838 7.081 -18.537 1056 HG21 THR 51 3HG2 THR 51 -10.146 8.454 -18.357 1057 HG22 THR 51 1HG2 THR 51 -10.699 7.529 -19.750 1058 HG23 THR 51 2HG2 THR 51 -9.234 7.042 -18.897 1059 H LYS 52 H LYS 52 -9.723 4.373 -16.529 1060 HA LYS 52 HA LYS 52 -7.762 3.074 -18.296 1061 HB2 LYS 52 2HB LYS 52 -7.323 4.833 -15.920 1062 HB3 LYS 52 3HB LYS 52 -6.218 3.495 -16.178 1063 HG2 LYS 52 2HG LYS 52 -5.170 5.307 -17.181 1064 HG3 LYS 52 3HG LYS 52 -5.901 4.435 -18.528 1065 HD2 LYS 52 2HD LYS 52 -7.690 6.012 -18.675 1066 HD3 LYS 52 3HD LYS 52 -7.194 6.792 -17.169 1067 HE2 LYS 52 2HE LYS 52 -5.066 7.427 -18.244 1068 HE3 LYS 52 3HE LYS 52 -5.644 6.722 -19.754 1069 HZ1 LYS 52 3HZ LYS 52 -7.392 8.325 -19.849 1070 HZ2 LYS 52 1HZ LYS 52 -5.932 9.152 -19.612 1071 HZ3 LYS 52 2HZ LYS 52 -7.000 8.936 -18.315 1072 H MET 53 H MET 53 -6.386 1.496 -16.823 1073 HA MET 53 HA MET 53 -8.271 -0.382 -15.711 1074 HB2 MET 53 2HB MET 53 -5.256 -0.477 -15.931 1075 HB3 MET 53 3HB MET 53 -6.257 -1.805 -15.360 1076 HG2 MET 53 2HG MET 53 -7.378 -1.892 -17.529 1077 HG3 MET 53 3HG MET 53 -6.364 -0.569 -18.100 1078 HE1 MET 53 3HE MET 53 -5.623 -2.044 -20.207 1079 HE2 MET 53 1HE MET 53 -6.673 -3.337 -19.617 1080 HE3 MET 53 2HE MET 53 -5.003 -3.690 -20.058 1081 H GLY 54 H GLY 54 -6.050 1.988 -14.495 1082 HA2 GLY 54 2HA GLY 54 -6.100 2.928 -12.360 1083 HA3 GLY 54 3HA GLY 54 -7.137 1.611 -11.833 1084 H LYS 55 H LYS 55 -5.931 -0.599 -11.975 1085 HA LYS 55 HA LYS 55 -4.296 -1.999 -11.279 1086 HB2 LYS 55 2HB LYS 55 -2.552 0.438 -11.619 1087 HB3 LYS 55 3HB LYS 55 -1.928 -1.119 -11.098 1088 HG2 LYS 55 2HG LYS 55 -2.465 -2.141 -13.151 1089 HG3 LYS 55 3HG LYS 55 -3.472 -0.783 -13.650 1090 HD2 LYS 55 2HD LYS 55 -1.539 0.633 -13.881 1091 HD3 LYS 55 3HD LYS 55 -0.494 -0.621 -13.213 1092 HE2 LYS 55 2HE LYS 55 -0.853 -2.027 -15.115 1093 HE3 LYS 55 3HE LYS 55 -2.106 -0.955 -15.735 1094 HZ1 LYS 55 3HZ LYS 55 0.138 -0.782 -16.822 1095 HZ2 LYS 55 1HZ LYS 55 0.707 -0.080 -15.380 1096 HZ3 LYS 55 2HZ LYS 55 -0.521 0.679 -16.272 1097 H GLY 56 H GLY 56 -2.315 -1.854 -9.441 1098 HA2 GLY 56 2HA GLY 56 -2.409 -0.505 -7.149 1099 HA3 GLY 56 3HA GLY 56 -3.892 -1.443 -7.035 1100 H ILE 57 H ILE 57 -2.814 -2.373 -5.102 1101 HA ILE 57 HA ILE 57 -1.437 -4.813 -5.860 1102 HB ILE 57 HB ILE 57 0.443 -3.273 -5.518 1103 HG12 ILE 57 2HG1 ILE 57 0.137 -5.285 -3.274 1104 HG13 ILE 57 3HG1 ILE 57 0.703 -5.642 -4.902 1105 HG21 ILE 57 1HG2 ILE 57 0.889 -2.315 -3.295 1106 HG22 ILE 57 2HG2 ILE 57 -0.681 -2.905 -2.743 1107 HG23 ILE 57 3HG2 ILE 57 -0.595 -1.684 -4.011 1108 HD11 ILE 57 3HD1 ILE 57 2.673 -4.288 -4.539 1109 HD12 ILE 57 1HD1 ILE 57 2.524 -5.511 -3.275 1110 HD13 ILE 57 2HD1 ILE 57 2.090 -3.833 -2.939 1111 H THR 58 H THR 58 -1.781 -6.482 -4.446 1112 HA THR 58 HA THR 58 -3.546 -5.922 -2.165 1113 HB THR 58 HB THR 58 -3.057 -8.615 -3.447 1114 HG1 THR 58 HG1 THR 58 -5.209 -6.826 -3.995 1115 HG21 THR 58 3HG2 THR 58 -4.059 -8.691 -1.224 1116 HG22 THR 58 1HG2 THR 58 -5.246 -9.151 -2.445 1117 HG23 THR 58 2HG2 THR 58 -5.300 -7.542 -1.727 1118 H LEU 59 H LEU 59 -3.052 -6.669 -0.129 1119 HA LEU 59 HA LEU 59 -0.361 -7.826 0.221 1120 HB2 LEU 59 2HB LEU 59 -1.782 -5.923 2.091 1121 HB3 LEU 59 3HB LEU 59 -0.182 -6.596 2.322 1122 HG LEU 59 HG LEU 59 0.324 -5.377 0.044 1123 HD11 LEU 59 1HD1 LEU 59 -1.955 -4.660 -0.398 1124 HD12 LEU 59 2HD1 LEU 59 -0.892 -3.270 -0.174 1125 HD13 LEU 59 3HD1 LEU 59 -1.984 -3.768 1.121 1126 HD21 LEU 59 3HD2 LEU 59 0.064 -3.940 2.682 1127 HD22 LEU 59 1HD2 LEU 59 1.054 -3.418 1.319 1128 HD23 LEU 59 2HD2 LEU 59 1.433 -4.921 2.158 1129 H SER 60 H SER 60 -0.112 -9.359 1.867 1130 HA SER 60 HA SER 60 -2.604 -10.637 2.690 1131 HB2 SER 60 2HB SER 60 -0.910 -12.011 1.524 1132 HB3 SER 60 3HB SER 60 0.245 -11.660 2.807 1133 HG SER 60 HG SER 60 -0.544 -13.460 3.578 1134 H ASN 61 H ASN 61 -1.813 -11.968 4.948 1135 HA ASN 61 HA ASN 61 -2.453 -9.987 6.855 1136 HB2 ASN 61 2HB ASN 61 -3.237 -12.274 7.081 1137 HB3 ASN 61 3HB ASN 61 -1.587 -12.860 7.219 1138 HD21 ASN 61 1HD2 ASN 61 -0.552 -12.771 9.146 1139 HD22 ASN 61 2HD2 ASN 61 -1.312 -12.247 10.614 1140 H GLU 62 H GLU 62 0.550 -11.824 6.330 1141 HA GLU 62 HA GLU 62 1.845 -10.831 8.640 1142 HB2 GLU 62 2HB GLU 62 2.903 -12.164 6.152 1143 HB3 GLU 62 3HB GLU 62 3.938 -11.696 7.490 1144 HG2 GLU 62 2HG GLU 62 3.414 -14.023 7.676 1145 HG3 GLU 62 3HG GLU 62 2.618 -13.148 8.983 1146 H GLU 63 H GLU 63 2.369 -10.044 5.193 1147 HA GLU 63 HA GLU 63 4.324 -8.088 5.691 1148 HB2 GLU 63 2HB GLU 63 3.751 -7.280 3.355 1149 HB3 GLU 63 3HB GLU 63 4.259 -8.955 3.505 1150 HG2 GLU 63 2HG GLU 63 1.352 -8.384 3.599 1151 HG3 GLU 63 3HG GLU 63 2.179 -8.226 2.050 1152 H PHE 64 H PHE 64 0.822 -7.854 5.512 1153 HA PHE 64 HA PHE 64 0.692 -5.027 5.374 1154 HB2 PHE 64 2HB PHE 64 -1.170 -6.700 4.883 1155 HB3 PHE 64 3HB PHE 64 -1.390 -6.822 6.624 1156 HD1 PHE 64 HD1 PHE 64 -1.491 -4.481 3.767 1157 HD2 PHE 64 HD2 PHE 64 -2.642 -5.217 7.796 1158 HE1 PHE 64 HE1 PHE 64 -2.989 -2.534 3.690 1159 HE2 PHE 64 HE2 PHE 64 -4.142 -3.268 7.724 1160 HZ PHE 64 HZ PHE 64 -4.318 -1.926 5.670 1161 H GLN 65 H GLN 65 0.536 -7.318 8.082 1162 HA GLN 65 HA GLN 65 0.243 -5.391 10.129 1163 HB2 GLN 65 2HB GLN 65 0.202 -8.122 10.000 1164 HB3 GLN 65 3HB GLN 65 1.744 -7.844 10.793 1165 HG2 GLN 65 2HG GLN 65 -0.874 -6.719 11.759 1166 HG3 GLN 65 3HG GLN 65 -0.171 -8.230 12.328 1167 HE21 GLN 65 1HE2 GLN 65 -0.020 -4.776 12.455 1168 HE22 GLN 65 2HE2 GLN 65 1.147 -4.668 13.731 1169 H THR 66 H THR 66 3.007 -6.705 8.445 1170 HA THR 66 HA THR 66 5.051 -5.802 10.147 1171 HB THR 66 HB THR 66 5.171 -6.190 7.143 1172 HG1 THR 66 HG1 THR 66 4.490 -8.059 8.429 1173 HG21 THR 66 3HG2 THR 66 7.084 -4.932 7.997 1174 HG22 THR 66 1HG2 THR 66 7.573 -6.555 7.511 1175 HG23 THR 66 2HG2 THR 66 7.366 -6.170 9.220 1176 H MET 67 H MET 67 3.623 -4.291 7.233 1177 HA MET 67 HA MET 67 5.303 -2.011 7.339 1178 HB2 MET 67 2HB MET 67 4.032 -1.121 5.570 1179 HB3 MET 67 3HB MET 67 3.975 -2.860 5.325 1180 HG2 MET 67 2HG MET 67 1.757 -2.983 6.177 1181 HG3 MET 67 3HG MET 67 1.811 -1.308 6.712 1182 HE1 MET 67 3HE MET 67 -0.236 -0.360 5.615 1183 HE2 MET 67 1HE MET 67 -0.679 -2.032 5.262 1184 HE3 MET 67 2HE MET 67 -0.798 -0.801 4.003 1185 H VAL 68 H VAL 68 2.129 -2.732 8.687 1186 HA VAL 68 HA VAL 68 1.367 -0.108 9.302 1187 HB VAL 68 HB VAL 68 0.552 -2.751 10.497 1188 HG11 VAL 68 1HG1 VAL 68 -1.295 -1.561 11.612 1189 HG12 VAL 68 2HG1 VAL 68 -0.564 -0.021 11.150 1190 HG13 VAL 68 3HG1 VAL 68 0.281 -1.105 12.257 1191 HG21 VAL 68 3HG2 VAL 68 -0.798 -0.776 8.661 1192 HG22 VAL 68 1HG2 VAL 68 -1.550 -2.240 9.292 1193 HG23 VAL 68 2HG2 VAL 68 -0.154 -2.356 8.222 1194 H ASP 69 H ASP 69 2.754 -2.567 11.488 1195 HA ASP 69 HA ASP 69 3.171 -0.984 13.707 1196 HB2 ASP 69 2HB ASP 69 3.582 -3.492 13.446 1197 HB3 ASP 69 3HB ASP 69 5.155 -3.067 12.780 1198 H ALA 70 H ALA 70 5.330 -1.444 10.916 1199 HA ALA 70 HA ALA 70 7.499 0.049 11.828 1200 HB1 ALA 70 3HB ALA 70 6.539 -0.331 8.998 1201 HB2 ALA 70 1HB ALA 70 7.605 -1.415 9.889 1202 HB3 ALA 70 2HB ALA 70 8.148 0.212 9.476 1203 H PHE 71 H PHE 71 4.909 1.117 9.597 1204 HA PHE 71 HA PHE 71 5.808 3.806 9.558 1205 HB2 PHE 71 2HB PHE 71 3.147 2.618 8.769 1206 HB3 PHE 71 3HB PHE 71 3.620 4.286 8.464 1207 HD1 PHE 71 HD1 PHE 71 6.260 4.229 7.475 1208 HD2 PHE 71 HD2 PHE 71 3.155 1.388 6.845 1209 HE1 PHE 71 HE1 PHE 71 7.327 3.537 5.370 1210 HE2 PHE 71 HE2 PHE 71 4.214 0.693 4.740 1211 HZ PHE 71 HZ PHE 71 6.299 1.763 4.000 1212 H LYS 72 H LYS 72 3.525 2.071 11.556 1213 HA LYS 72 HA LYS 72 2.288 4.238 12.818 1214 HB2 LYS 72 2HB LYS 72 1.453 2.015 13.141 1215 HB3 LYS 72 3HB LYS 72 2.985 1.467 13.800 1216 HG2 LYS 72 2HG LYS 72 2.640 2.627 15.820 1217 HG3 LYS 72 3HG LYS 72 1.295 3.548 15.147 1218 HD2 LYS 72 2HD LYS 72 -0.089 1.611 15.052 1219 HD3 LYS 72 3HD LYS 72 1.267 0.552 15.443 1220 HE2 LYS 72 2HE LYS 72 0.335 2.713 17.304 1221 HE3 LYS 72 3HE LYS 72 -0.369 1.095 17.320 1222 HZ1 LYS 72 3HZ LYS 72 1.613 0.150 18.006 1223 HZ2 LYS 72 1HZ LYS 72 1.567 1.592 18.893 1224 HZ3 LYS 72 2HZ LYS 72 2.552 1.472 17.519 1225 H GLY 73 H GLY 73 5.471 2.870 13.162 1226 HA2 GLY 73 2HA GLY 73 6.012 4.418 15.566 1227 HA3 GLY 73 3HA GLY 73 7.103 3.298 14.776 1228 H ASN 74 H ASN 74 5.904 5.429 12.412 1229 HA ASN 74 HA ASN 74 7.738 7.579 12.999 1230 HB2 ASN 74 2HB ASN 74 9.351 7.237 11.303 1231 HB3 ASN 74 3HB ASN 74 9.197 5.693 12.128 1232 HD21 ASN 74 1HD2 ASN 74 8.217 3.958 11.055 1233 HD22 ASN 74 2HD2 ASN 74 8.015 3.962 9.339 1234 H LEU 75 H LEU 75 8.095 8.910 10.867 1235 HA LEU 75 HA LEU 75 7.363 10.140 9.136 1236 HB2 LEU 75 2HB LEU 75 6.764 8.036 8.042 1237 HB3 LEU 75 3HB LEU 75 5.186 8.084 8.808 1238 HG LEU 75 HG LEU 75 4.702 10.203 7.605 1239 HD11 LEU 75 1HD1 LEU 75 7.012 10.942 7.292 1240 HD12 LEU 75 2HD1 LEU 75 6.122 10.900 5.770 1241 HD13 LEU 75 3HD1 LEU 75 7.275 9.621 6.152 1242 HD21 LEU 75 3HD2 LEU 75 3.850 8.191 6.674 1243 HD22 LEU 75 1HD2 LEU 75 5.411 7.787 5.959 1244 HD23 LEU 75 2HD2 LEU 75 4.487 9.163 5.351 1245 H GLU 76 H GLU 76 4.463 8.985 10.878 1246 HA GLU 76 HA GLU 76 2.971 11.312 10.347 1247 HB2 GLU 76 2HB GLU 76 1.439 10.530 12.104 1248 HB3 GLU 76 3HB GLU 76 1.880 9.243 10.996 1249 HG2 GLU 76 2HG GLU 76 1.998 8.166 13.005 1250 HG3 GLU 76 3HG GLU 76 3.670 8.680 12.803 1251 H HIS 77 H HIS 77 2.367 13.038 11.771 1252 HA HIS 77 HA HIS 77 4.258 13.617 13.895 1253 HB2 HIS 77 2HB HIS 77 4.733 15.892 12.765 1254 HB3 HIS 77 3HB HIS 77 5.605 14.470 12.208 1255 HD1 HIS 77 HD1 HIS 77 5.080 13.602 9.834 1256 HD2 HIS 77 HD2 HIS 77 2.970 17.022 10.907 1257 HE1 HIS 77 HE1 HIS 77 4.090 14.485 7.697 1258 HE2 HIS 77 HE2 HIS 77 3.037 16.684 8.338 1259 H HIS 78 H HIS 78 3.826 15.719 14.937 1260 HA HIS 78 HA HIS 78 1.012 16.539 14.793 1261 HB2 HIS 78 2HB HIS 78 1.442 14.610 16.472 1262 HB3 HIS 78 3HB HIS 78 2.299 15.813 17.424 1263 HD1 HIS 78 HD1 HIS 78 0.810 17.815 18.384 1264 HD2 HIS 78 HD2 HIS 78 -1.284 14.639 16.709 1265 HE1 HIS 78 HE1 HIS 78 -1.540 18.028 19.241 1266 HE2 HIS 78 HE2 HIS 78 -2.697 15.939 18.439 1267 H HIS 79 H HIS 79 3.355 17.892 13.960 1268 HA HIS 79 HA HIS 79 3.411 20.099 15.872 1269 HB2 HIS 79 2HB HIS 79 5.819 18.569 14.933 1270 HB3 HIS 79 3HB HIS 79 5.952 20.252 15.436 1271 HD1 HIS 79 HD1 HIS 79 5.626 16.811 16.737 1272 HD2 HIS 79 HD2 HIS 79 5.417 20.693 18.209 1273 HE1 HIS 79 HE1 HIS 79 5.783 16.596 19.240 1274 HE2 HIS 79 HE2 HIS 79 5.881 18.968 20.084 1275 H HIS 80 H HIS 80 2.783 21.788 14.817 1276 HA HIS 80 HA HIS 80 4.232 22.715 12.512 1277 HB2 HIS 80 2HB HIS 80 1.532 21.568 12.201 1278 HB3 HIS 80 3HB HIS 80 1.708 23.185 11.534 1279 HD1 HIS 80 HD1 HIS 80 1.316 20.492 9.863 1280 HD2 HIS 80 HD2 HIS 80 4.882 22.550 10.469 1281 HE1 HIS 80 HE1 HIS 80 2.809 19.846 7.947 1282 HE2 HIS 80 HE2 HIS 80 5.021 20.943 8.444 1283 H HIS 81 H HIS 81 4.601 24.797 12.928 1284 HA HIS 81 HA HIS 81 2.886 26.092 14.934 1285 HB2 HIS 81 2HB HIS 81 5.681 26.730 13.982 1286 HB3 HIS 81 3HB HIS 81 4.778 27.746 15.096 1287 HD1 HIS 81 HD1 HIS 81 4.860 27.136 17.525 1288 HD2 HIS 81 HD2 HIS 81 6.343 24.132 15.058 1289 HE1 HIS 81 HE1 HIS 81 5.895 25.442 19.067 1290 HE2 HIS 81 HE2 HIS 81 6.974 23.755 17.537 1291 H HIS 82 H HIS 82 2.343 28.331 14.722 1292 HA HIS 82 HA HIS 82 2.457 29.419 11.999 1293 HB2 HIS 82 2HB HIS 82 -0.010 29.348 13.758 1294 HB3 HIS 82 3HB HIS 82 0.128 30.275 12.268 1295 HD1 HIS 82 HD1 HIS 82 -0.415 26.831 13.572 1296 HD2 HIS 82 HD2 HIS 82 0.052 28.732 9.898 1297 HE1 HIS 82 HE1 HIS 82 -1.150 25.159 11.842 1298 HE2 HIS 82 HE2 HIS 82 -0.868 26.322 9.629 Start of MODEL 16 1 H1 MET 1 1H MET 1 6.824 19.558 -31.333 2 H2 MET 1 2H MET 1 8.063 20.711 -31.280 3 H3 MET 1 3H MET 1 6.615 20.981 -30.433 4 HA MET 1 HA MET 1 8.613 18.869 -29.883 5 HB2 MET 1 2HB MET 1 7.873 21.411 -28.432 6 HB3 MET 1 3HB MET 1 8.759 20.102 -27.665 7 HG2 MET 1 2HG MET 1 10.529 20.330 -29.344 8 HG3 MET 1 3HG MET 1 9.646 21.668 -30.075 9 HE1 MET 1 3HE MET 1 12.716 23.431 -28.385 10 HE2 MET 1 1HE MET 1 11.836 23.159 -29.889 11 HE3 MET 1 2HE MET 1 12.704 21.829 -29.124 12 H LYS 2 H LYS 2 7.358 17.119 -29.648 13 HA LYS 2 HA LYS 2 5.416 17.170 -27.470 14 HB2 LYS 2 2HB LYS 2 4.047 17.503 -29.447 15 HB3 LYS 2 3HB LYS 2 4.831 16.160 -30.262 16 HG2 LYS 2 2HG LYS 2 3.852 14.592 -28.714 17 HG3 LYS 2 3HG LYS 2 3.142 15.913 -27.782 18 HD2 LYS 2 2HD LYS 2 1.714 16.517 -29.600 19 HD3 LYS 2 3HD LYS 2 2.539 15.402 -30.690 20 HE2 LYS 2 2HE LYS 2 1.758 13.514 -29.342 21 HE3 LYS 2 3HE LYS 2 0.932 14.632 -28.258 22 HZ1 LYS 2 3HZ LYS 2 0.333 14.664 -31.141 23 HZ2 LYS 2 1HZ LYS 2 -0.642 15.148 -29.839 24 HZ3 LYS 2 2HZ LYS 2 -0.385 13.496 -30.142 25 H LYS 3 H LYS 3 6.022 15.643 -26.109 26 HA LYS 3 HA LYS 3 6.782 13.021 -27.055 27 HB2 LYS 3 2HB LYS 3 8.897 14.308 -27.127 28 HB3 LYS 3 3HB LYS 3 8.711 14.669 -25.419 29 HG2 LYS 3 2HG LYS 3 8.776 12.213 -24.974 30 HG3 LYS 3 3HG LYS 3 9.177 11.977 -26.675 31 HD2 LYS 3 2HD LYS 3 11.144 13.474 -26.346 32 HD3 LYS 3 3HD LYS 3 10.774 13.502 -24.621 33 HE2 LYS 3 2HE LYS 3 12.495 11.865 -25.047 34 HE3 LYS 3 3HE LYS 3 11.009 11.045 -24.571 35 HZ1 LYS 3 3HZ LYS 3 12.143 9.992 -26.469 36 HZ2 LYS 3 1HZ LYS 3 11.899 11.404 -27.380 37 HZ3 LYS 3 2HZ LYS 3 10.571 10.497 -26.848 38 H MET 4 H MET 4 4.961 12.359 -25.916 39 HA MET 4 HA MET 4 5.141 12.587 -22.994 40 HB2 MET 4 2HB MET 4 2.877 11.740 -24.799 41 HB3 MET 4 3HB MET 4 2.827 11.563 -23.049 42 HG2 MET 4 2HG MET 4 3.148 14.148 -24.550 43 HG3 MET 4 3HG MET 4 1.666 13.571 -23.791 44 HE1 MET 4 3HE MET 4 2.844 16.449 -23.214 45 HE2 MET 4 1HE MET 4 2.700 16.542 -21.459 46 HE3 MET 4 2HE MET 4 1.400 15.827 -22.413 47 H ALA 5 H ALA 5 6.080 11.003 -21.958 48 HA ALA 5 HA ALA 5 5.913 8.269 -22.971 49 HB1 ALA 5 3HB ALA 5 8.545 9.656 -22.479 50 HB2 ALA 5 1HB ALA 5 7.882 9.250 -24.059 51 HB3 ALA 5 2HB ALA 5 8.326 7.966 -22.937 52 H GLU 6 H GLU 6 7.841 7.149 -21.340 53 HA GLU 6 HA GLU 6 6.458 7.267 -18.791 54 HB2 GLU 6 2HB GLU 6 8.667 5.421 -19.713 55 HB3 GLU 6 3HB GLU 6 7.668 5.217 -18.278 56 HG2 GLU 6 2HG GLU 6 5.701 4.922 -19.653 57 HG3 GLU 6 3HG GLU 6 6.653 5.211 -21.109 58 H PHE 7 H PHE 7 7.564 7.479 -16.791 59 HA PHE 7 HA PHE 7 9.634 9.503 -16.934 60 HB2 PHE 7 2HB PHE 7 8.391 8.382 -14.426 61 HB3 PHE 7 3HB PHE 7 9.136 9.960 -14.657 62 HD1 PHE 7 HD1 PHE 7 7.951 11.594 -16.244 63 HD2 PHE 7 HD2 PHE 7 6.101 8.117 -14.636 64 HE1 PHE 7 HE1 PHE 7 5.735 12.561 -16.712 65 HE2 PHE 7 HE2 PHE 7 3.885 9.077 -15.100 66 HZ PHE 7 HZ PHE 7 3.700 11.304 -16.142 67 H THR 8 H THR 8 11.737 9.216 -16.370 68 HA THR 8 HA THR 8 12.756 6.585 -15.936 69 HB THR 8 HB THR 8 14.223 9.189 -15.471 70 HG1 THR 8 HG1 THR 8 14.685 9.207 -17.654 71 HG21 THR 8 3HG2 THR 8 16.191 7.865 -16.138 72 HG22 THR 8 1HG2 THR 8 15.166 6.438 -16.292 73 HG23 THR 8 2HG2 THR 8 15.402 7.190 -14.713 74 H PHE 9 H PHE 9 12.721 5.537 -14.018 75 HA PHE 9 HA PHE 9 12.634 7.193 -11.591 76 HB2 PHE 9 2HB PHE 9 11.171 5.522 -10.563 77 HB3 PHE 9 3HB PHE 9 10.448 6.193 -12.018 78 HD1 PHE 9 HD1 PHE 9 10.383 4.823 -14.097 79 HD2 PHE 9 HD2 PHE 9 11.630 3.217 -10.356 80 HE1 PHE 9 HE1 PHE 9 10.025 2.546 -14.956 81 HE2 PHE 9 HE2 PHE 9 11.274 0.938 -11.212 82 HZ PHE 9 HZ PHE 9 10.472 0.601 -13.513 83 H GLU 10 H GLU 10 13.883 6.665 -9.924 84 HA GLU 10 HA GLU 10 15.333 4.131 -9.965 85 HB2 GLU 10 2HB GLU 10 16.645 6.838 -9.633 86 HB3 GLU 10 3HB GLU 10 17.438 5.302 -9.312 87 HG2 GLU 10 2HG GLU 10 17.006 4.673 -11.685 88 HG3 GLU 10 3HG GLU 10 16.422 6.315 -11.951 89 H ILE 11 H ILE 11 15.940 3.371 -7.931 90 HA ILE 11 HA ILE 11 14.194 4.271 -5.824 91 HB ILE 11 HB ILE 11 16.318 2.120 -5.749 92 HG12 ILE 11 2HG1 ILE 11 13.338 1.901 -6.221 93 HG13 ILE 11 3HG1 ILE 11 14.580 1.693 -7.451 94 HG21 ILE 11 1HG2 ILE 11 15.679 2.940 -3.529 95 HG22 ILE 11 2HG2 ILE 11 15.128 1.286 -3.793 96 HG23 ILE 11 3HG2 ILE 11 13.984 2.623 -3.903 97 HD11 ILE 11 3HD1 ILE 11 14.210 -0.039 -5.018 98 HD12 ILE 11 1HD1 ILE 11 15.436 -0.253 -6.268 99 HD13 ILE 11 2HD1 ILE 11 13.728 -0.443 -6.666 100 H GLU 12 H GLU 12 14.650 5.740 -4.379 101 HA GLU 12 HA GLU 12 17.367 6.686 -3.986 102 HB2 GLU 12 2HB GLU 12 14.633 7.658 -3.408 103 HB3 GLU 12 3HB GLU 12 15.872 8.134 -2.257 104 HG2 GLU 12 2HG GLU 12 16.113 8.564 -5.220 105 HG3 GLU 12 3HG GLU 12 15.430 9.755 -4.108 106 H GLU 13 H GLU 13 14.729 5.321 -2.049 107 HA GLU 13 HA GLU 13 16.652 4.395 -0.071 108 HB2 GLU 13 2HB GLU 13 16.061 6.665 0.642 109 HB3 GLU 13 3HB GLU 13 14.356 6.249 0.588 110 HG2 GLU 13 2HG GLU 13 14.677 4.654 2.402 111 HG3 GLU 13 3HG GLU 13 16.399 5.032 2.437 112 H HIS 14 H HIS 14 15.966 2.637 1.097 113 HA HIS 14 HA HIS 14 13.438 1.403 0.234 114 HB2 HIS 14 2HB HIS 14 15.691 0.214 1.885 115 HB3 HIS 14 3HB HIS 14 14.307 -0.657 1.241 116 HD1 HIS 14 HD1 HIS 14 14.516 -1.592 -1.101 117 HD2 HIS 14 HD2 HIS 14 17.594 1.033 -0.105 118 HE1 HIS 14 HE1 HIS 14 16.194 -1.764 -2.969 119 HE2 HIS 14 HE2 HIS 14 17.974 -0.061 -2.421 120 H LEU 15 H LEU 15 11.706 1.778 1.515 121 HA LEU 15 HA LEU 15 11.985 2.836 4.153 122 HB2 LEU 15 2HB LEU 15 9.572 1.749 2.695 123 HB3 LEU 15 3HB LEU 15 9.506 2.529 4.264 124 HG LEU 15 HG LEU 15 10.417 3.840 1.698 125 HD11 LEU 15 1HD1 LEU 15 7.996 3.352 1.802 126 HD12 LEU 15 2HD1 LEU 15 8.354 5.076 1.807 127 HD13 LEU 15 3HD1 LEU 15 7.906 4.267 3.307 128 HD21 LEU 15 3HD2 LEU 15 10.385 5.902 3.012 129 HD22 LEU 15 1HD2 LEU 15 11.549 4.746 3.660 130 HD23 LEU 15 2HD2 LEU 15 9.992 4.974 4.460 131 H LEU 16 H LEU 16 10.625 -0.219 2.943 132 HA LEU 16 HA LEU 16 12.057 -1.778 4.823 133 HB2 LEU 16 2HB LEU 16 10.290 -2.621 6.192 134 HB3 LEU 16 3HB LEU 16 10.289 -0.873 6.326 135 HG LEU 16 HG LEU 16 8.458 -2.074 4.316 136 HD11 LEU 16 1HD1 LEU 16 6.768 -2.547 5.986 137 HD12 LEU 16 2HD1 LEU 16 7.895 -2.127 7.276 138 HD13 LEU 16 3HD1 LEU 16 8.197 -3.542 6.267 139 HD21 LEU 16 3HD2 LEU 16 7.013 -0.251 5.102 140 HD22 LEU 16 1HD2 LEU 16 8.594 0.334 4.578 141 HD23 LEU 16 2HD2 LEU 16 8.235 0.186 6.298 142 H THR 17 H THR 17 12.062 -3.903 4.267 143 HA THR 17 HA THR 17 10.722 -4.662 1.815 144 HB THR 17 HB THR 17 12.351 -6.465 3.612 145 HG1 THR 17 HG1 THR 17 13.251 -4.656 1.580 146 HG21 THR 17 3HG2 THR 17 11.119 -7.555 1.798 147 HG22 THR 17 1HG2 THR 17 12.855 -7.612 1.499 148 HG23 THR 17 2HG2 THR 17 11.848 -6.452 0.630 149 H LEU 18 H LEU 18 8.632 -5.231 1.952 150 HA LEU 18 HA LEU 18 7.339 -5.913 4.356 151 HB2 LEU 18 2HB LEU 18 6.462 -6.426 1.510 152 HB3 LEU 18 3HB LEU 18 5.430 -6.559 2.922 153 HG LEU 18 HG LEU 18 6.718 -4.023 1.903 154 HD11 LEU 18 1HD1 LEU 18 3.847 -4.941 1.913 155 HD12 LEU 18 2HD1 LEU 18 4.887 -4.787 0.497 156 HD13 LEU 18 3HD1 LEU 18 4.417 -3.351 1.410 157 HD21 LEU 18 3HD2 LEU 18 4.814 -4.448 4.202 158 HD22 LEU 18 1HD2 LEU 18 5.419 -2.898 3.623 159 HD23 LEU 18 2HD2 LEU 18 6.529 -4.064 4.346 160 H SER 19 H SER 19 7.542 -8.033 1.511 161 HA SER 19 HA SER 19 8.652 -10.222 2.959 162 HB2 SER 19 2HB SER 19 5.683 -10.341 2.351 163 HB3 SER 19 3HB SER 19 6.663 -11.727 2.821 164 HG SER 19 HG SER 19 6.967 -9.648 4.547 165 H GLU 20 H GLU 20 9.019 -12.057 1.640 166 HA GLU 20 HA GLU 20 8.740 -11.542 -1.238 167 HB2 GLU 20 2HB GLU 20 10.995 -12.054 -0.556 168 HB3 GLU 20 3HB GLU 20 10.460 -13.485 0.315 169 HG2 GLU 20 2HG GLU 20 9.734 -14.459 -1.848 170 HG3 GLU 20 3HG GLU 20 10.448 -13.071 -2.664 171 H ASN 21 H ASN 21 7.403 -12.727 -2.473 172 HA ASN 21 HA ASN 21 5.861 -14.840 -1.148 173 HB2 ASN 21 2HB ASN 21 4.533 -13.031 -2.111 174 HB3 ASN 21 3HB ASN 21 5.305 -13.263 -3.672 175 HD21 ASN 21 1HD2 ASN 21 4.670 -14.948 -4.974 176 HD22 ASN 21 2HD2 ASN 21 3.247 -15.879 -4.666 177 H GLU 22 H GLU 22 6.295 -16.840 -1.546 178 HA GLU 22 HA GLU 22 7.213 -18.718 -2.414 179 HB2 GLU 22 2HB GLU 22 5.506 -17.581 -4.581 180 HB3 GLU 22 3HB GLU 22 6.365 -19.096 -4.840 181 HG2 GLU 22 2HG GLU 22 4.357 -18.498 -2.678 182 HG3 GLU 22 3HG GLU 22 4.151 -19.576 -4.059 183 H LYS 23 H LYS 23 9.143 -16.760 -2.415 184 HA LYS 23 HA LYS 23 11.289 -16.495 -3.080 185 HB2 LYS 23 2HB LYS 23 10.880 -18.871 -4.894 186 HB3 LYS 23 3HB LYS 23 12.396 -18.270 -4.242 187 HG2 LYS 23 2HG LYS 23 10.173 -19.623 -2.739 188 HG3 LYS 23 3HG LYS 23 11.791 -20.245 -3.058 189 HD2 LYS 23 2HD LYS 23 12.735 -18.439 -1.687 190 HD3 LYS 23 3HD LYS 23 11.103 -17.863 -1.344 191 HE2 LYS 23 2HE LYS 23 12.251 -20.549 -0.604 192 HE3 LYS 23 3HE LYS 23 11.934 -19.212 0.497 193 HZ1 LYS 23 3HZ LYS 23 9.897 -20.759 -1.027 194 HZ2 LYS 23 1HZ LYS 23 9.559 -19.422 -0.039 195 HZ3 LYS 23 2HZ LYS 23 10.188 -20.840 0.640 196 H GLY 24 H GLY 24 11.499 -14.653 -4.175 197 HA2 GLY 24 2HA GLY 24 12.278 -13.798 -6.313 198 HA3 GLY 24 3HA GLY 24 11.059 -14.793 -7.093 199 H TRP 25 H TRP 25 8.784 -14.194 -5.611 200 HA TRP 25 HA TRP 25 8.213 -11.608 -6.774 201 HB2 TRP 25 2HB TRP 25 6.515 -13.605 -5.278 202 HB3 TRP 25 3HB TRP 25 5.899 -12.048 -5.819 203 HD1 TRP 25 HD1 TRP 25 7.271 -15.354 -7.252 204 HE1 TRP 25 HE1 TRP 25 6.353 -15.627 -9.644 205 HE3 TRP 25 HE3 TRP 25 4.928 -10.841 -7.727 206 HZ2 TRP 25 HZ2 TRP 25 4.832 -14.112 -11.480 207 HZ3 TRP 25 HZ3 TRP 25 3.757 -10.331 -9.827 208 HH2 TRP 25 HH2 TRP 25 3.710 -11.934 -11.668 209 H THR 26 H THR 26 9.581 -10.273 -5.479 210 HA THR 26 HA THR 26 9.056 -10.301 -2.607 211 HB THR 26 HB THR 26 11.078 -8.586 -4.040 212 HG1 THR 26 HG1 THR 26 11.243 -10.943 -4.471 213 HG21 THR 26 3HG2 THR 26 10.995 -9.715 -1.238 214 HG22 THR 26 1HG2 THR 26 10.583 -8.057 -1.677 215 HG23 THR 26 2HG2 THR 26 12.231 -8.644 -1.896 216 H LYS 27 H LYS 27 8.119 -8.672 -1.503 217 HA LYS 27 HA LYS 27 7.081 -6.432 -3.102 218 HB2 LYS 27 2HB LYS 27 5.422 -8.156 -2.228 219 HB3 LYS 27 3HB LYS 27 5.807 -7.568 -0.617 220 HG2 LYS 27 2HG LYS 27 5.053 -5.334 -1.255 221 HG3 LYS 27 3HG LYS 27 4.656 -5.932 -2.865 222 HD2 LYS 27 2HD LYS 27 3.430 -6.921 -0.291 223 HD3 LYS 27 3HD LYS 27 2.686 -5.761 -1.387 224 HE2 LYS 27 2HE LYS 27 1.685 -7.794 -1.951 225 HE3 LYS 27 3HE LYS 27 2.930 -7.577 -3.180 226 HZ1 LYS 27 3HZ LYS 27 3.429 -9.158 -0.723 227 HZ2 LYS 27 1HZ LYS 27 4.272 -9.193 -2.190 228 HZ3 LYS 27 2HZ LYS 27 2.716 -9.856 -2.094 229 H GLU 28 H GLU 28 7.664 -4.462 -2.480 230 HA GLU 28 HA GLU 28 8.559 -3.959 0.235 231 HB2 GLU 28 2HB GLU 28 10.563 -4.805 -0.923 232 HB3 GLU 28 3HB GLU 28 10.374 -3.573 -2.160 233 HG2 GLU 28 2HG GLU 28 10.820 -1.831 -0.565 234 HG3 GLU 28 3HG GLU 28 10.851 -2.996 0.754 235 H ILE 29 H ILE 29 8.684 -1.718 0.729 236 HA ILE 29 HA ILE 29 7.309 -0.004 -1.237 237 HB ILE 29 HB ILE 29 7.452 0.407 1.761 238 HG12 ILE 29 2HG1 ILE 29 5.169 -0.648 0.071 239 HG13 ILE 29 3HG1 ILE 29 6.173 -1.630 1.130 240 HG21 ILE 29 1HG2 ILE 29 5.708 2.073 1.373 241 HG22 ILE 29 2HG2 ILE 29 5.759 1.739 -0.357 242 HG23 ILE 29 3HG2 ILE 29 7.157 2.456 0.441 243 HD11 ILE 29 3HD1 ILE 29 4.042 -1.120 2.158 244 HD12 ILE 29 1HD1 ILE 29 4.360 0.606 1.994 245 HD13 ILE 29 2HD1 ILE 29 5.366 -0.379 3.056 246 H ASN 30 H ASN 30 8.427 1.672 -2.067 247 HA ASN 30 HA ASN 30 11.046 2.235 -0.830 248 HB2 ASN 30 2HB ASN 30 10.488 2.035 -3.799 249 HB3 ASN 30 3HB ASN 30 12.040 2.398 -3.057 250 HD21 ASN 30 1HD2 ASN 30 13.112 0.750 -1.911 251 HD22 ASN 30 2HD2 ASN 30 12.772 -0.926 -2.203 252 H ARG 31 H ARG 31 11.983 4.281 -1.330 253 HA ARG 31 HA ARG 31 10.074 6.346 -2.163 254 HB2 ARG 31 2HB ARG 31 12.794 6.516 -0.848 255 HB3 ARG 31 3HB ARG 31 11.913 7.924 -1.431 256 HG2 ARG 31 2HG ARG 31 10.079 7.406 0.108 257 HG3 ARG 31 3HG ARG 31 10.987 6.013 0.705 258 HD2 ARG 31 2HD ARG 31 11.226 7.931 2.196 259 HD3 ARG 31 3HD ARG 31 12.770 7.490 1.468 260 HE ARG 31 HE ARG 31 11.118 9.765 0.549 261 HH11 ARG 31 1HH1 ARG 31 14.218 8.354 1.389 262 HH12 ARG 31 2HH1 ARG 31 15.136 9.705 0.782 263 HH21 ARG 31 1HH2 ARG 31 12.314 11.575 -0.157 264 HH22 ARG 31 2HH2 ARG 31 14.052 11.545 -0.071 265 H VAL 32 H VAL 32 10.032 6.655 -4.290 266 HA VAL 32 HA VAL 32 12.520 6.195 -5.807 267 HB VAL 32 HB VAL 32 9.673 5.861 -6.769 268 HG11 VAL 32 1HG1 VAL 32 12.296 5.226 -8.116 269 HG12 VAL 32 2HG1 VAL 32 11.182 6.519 -8.560 270 HG13 VAL 32 3HG1 VAL 32 10.697 4.835 -8.749 271 HG21 VAL 32 3HG2 VAL 32 11.743 3.788 -6.048 272 HG22 VAL 32 1HG2 VAL 32 10.185 3.452 -6.802 273 HG23 VAL 32 2HG2 VAL 32 10.249 4.125 -5.173 274 H SER 33 H SER 33 13.304 7.815 -7.009 275 HA SER 33 HA SER 33 11.807 10.306 -7.196 276 HB2 SER 33 2HB SER 33 13.959 11.137 -8.237 277 HB3 SER 33 3HB SER 33 14.127 10.530 -6.589 278 HG SER 33 HG SER 33 14.474 8.693 -8.650 279 H PHE 34 H PHE 34 10.884 11.071 -9.048 280 HA PHE 34 HA PHE 34 10.961 9.230 -11.346 281 HB2 PHE 34 2HB PHE 34 8.694 10.894 -10.259 282 HB3 PHE 34 3HB PHE 34 8.649 10.142 -11.849 283 HD1 PHE 34 HD1 PHE 34 8.486 7.740 -12.084 284 HD2 PHE 34 HD2 PHE 34 8.503 9.576 -8.248 285 HE1 PHE 34 HE1 PHE 34 7.643 5.654 -11.086 286 HE2 PHE 34 HE2 PHE 34 7.662 7.494 -7.241 287 HZ PHE 34 HZ PHE 34 7.235 5.528 -8.663 288 H ASN 35 H ASN 35 12.448 10.175 -12.636 289 HA ASN 35 HA ASN 35 13.149 11.467 -14.371 290 HB2 ASN 35 2HB ASN 35 10.692 10.985 -14.947 291 HB3 ASN 35 3HB ASN 35 10.380 12.645 -14.453 292 HD21 ASN 35 1HD2 ASN 35 9.737 13.285 -16.475 293 HD22 ASN 35 2HD2 ASN 35 10.844 13.450 -17.804 294 H GLY 36 H GLY 36 13.399 12.588 -11.674 295 HA2 GLY 36 2HA GLY 36 14.660 14.650 -11.354 296 HA3 GLY 36 3HA GLY 36 13.510 15.443 -12.422 297 H ALA 37 H ALA 37 11.393 13.736 -10.941 298 HA ALA 37 HA ALA 37 10.748 15.745 -8.987 299 HB1 ALA 37 3HB ALA 37 8.992 14.689 -10.329 300 HB2 ALA 37 1HB ALA 37 8.723 14.435 -8.605 301 HB3 ALA 37 2HB ALA 37 9.368 13.129 -9.597 302 HA PRO 38 HA PRO 38 12.633 14.123 -5.363 303 HB2 PRO 38 2HB PRO 38 10.004 14.520 -4.024 304 HB3 PRO 38 3HB PRO 38 11.602 15.129 -3.576 305 HG2 PRO 38 2HG PRO 38 9.803 16.747 -4.672 306 HG3 PRO 38 3HG PRO 38 11.515 16.863 -5.116 307 HD2 PRO 38 2HD PRO 38 9.243 15.644 -6.629 308 HD3 PRO 38 3HD PRO 38 10.624 16.586 -7.230 309 H ALA 39 H ALA 39 12.617 12.366 -3.887 310 HA ALA 39 HA ALA 39 11.522 9.985 -4.956 311 HB1 ALA 39 3HB ALA 39 12.802 10.460 -2.268 312 HB2 ALA 39 1HB ALA 39 13.646 10.022 -3.755 313 HB3 ALA 39 2HB ALA 39 12.517 8.888 -3.014 314 H LYS 40 H LYS 40 9.412 9.627 -4.919 315 HA LYS 40 HA LYS 40 7.743 10.514 -2.727 316 HB2 LYS 40 2HB LYS 40 7.165 8.995 -5.269 317 HB3 LYS 40 3HB LYS 40 5.933 9.409 -4.087 318 HG2 LYS 40 2HG LYS 40 6.385 11.778 -4.442 319 HG3 LYS 40 3HG LYS 40 7.621 11.360 -5.632 320 HD2 LYS 40 2HD LYS 40 5.446 11.982 -6.652 321 HD3 LYS 40 3HD LYS 40 5.973 10.350 -7.067 322 HE2 LYS 40 2HE LYS 40 4.182 10.742 -4.714 323 HE3 LYS 40 3HE LYS 40 3.493 10.833 -6.331 324 HZ1 LYS 40 3HZ LYS 40 5.160 8.523 -5.517 325 HZ2 LYS 40 1HZ LYS 40 4.020 8.621 -6.763 326 HZ3 LYS 40 2HZ LYS 40 3.512 8.580 -5.148 327 H PHE 41 H PHE 41 6.267 9.021 -1.632 328 HA PHE 41 HA PHE 41 7.511 6.442 -1.079 329 HB2 PHE 41 2HB PHE 41 4.976 7.581 0.114 330 HB3 PHE 41 3HB PHE 41 5.942 6.255 0.741 331 HD1 PHE 41 HD2 PHE 41 8.328 6.822 1.521 332 HD2 PHE 41 HD1 PHE 41 5.299 9.738 0.864 333 HE1 PHE 41 HE2 PHE 41 9.551 8.406 2.948 334 HE2 PHE 41 HE1 PHE 41 6.517 11.326 2.296 335 HZ PHE 41 HZ PHE 41 8.646 10.663 3.341 336 H ASP 42 H ASP 42 6.985 4.790 -2.397 337 HA ASP 42 HA ASP 42 4.201 4.548 -3.287 338 HB2 ASP 42 2HB ASP 42 6.630 4.522 -5.076 339 HB3 ASP 42 3HB ASP 42 5.076 3.854 -5.568 340 H ILE 43 H ILE 43 3.454 2.483 -3.508 341 HA ILE 43 HA ILE 43 5.171 0.424 -2.309 342 HB ILE 43 HB ILE 43 2.178 0.393 -2.735 343 HG12 ILE 43 2HG1 ILE 43 3.751 0.940 -0.208 344 HG13 ILE 43 3HG1 ILE 43 2.918 2.164 -1.161 345 HG21 ILE 43 1HG2 ILE 43 3.962 -1.402 -1.096 346 HG22 ILE 43 2HG2 ILE 43 3.165 -1.832 -2.608 347 HG23 ILE 43 3HG2 ILE 43 2.203 -1.490 -1.171 348 HD11 ILE 43 3HD1 ILE 43 1.643 -0.138 0.302 349 HD12 ILE 43 1HD1 ILE 43 0.784 1.037 -0.697 350 HD13 ILE 43 2HD1 ILE 43 1.608 1.561 0.771 351 H ARG 44 H ARG 44 5.852 -1.316 -3.478 352 HA ARG 44 HA ARG 44 4.441 -1.979 -5.944 353 HB2 ARG 44 2HB ARG 44 6.364 -1.822 -7.357 354 HB3 ARG 44 3HB ARG 44 6.197 -0.281 -6.523 355 HG2 ARG 44 2HG ARG 44 7.976 -0.835 -5.014 356 HG3 ARG 44 3HG ARG 44 8.062 -2.480 -5.650 357 HD2 ARG 44 2HD ARG 44 8.568 -1.396 -7.899 358 HD3 ARG 44 3HD ARG 44 8.829 0.094 -6.996 359 HE ARG 44 HE ARG 44 10.502 -1.335 -5.685 360 HH11 ARG 44 1HH1 ARG 44 9.781 -1.734 -9.088 361 HH12 ARG 44 2HH1 ARG 44 11.349 -2.369 -9.492 362 HH21 ARG 44 1HH2 ARG 44 12.570 -2.205 -6.205 363 HH22 ARG 44 2HH2 ARG 44 12.926 -2.655 -7.844 364 H ALA 45 H ALA 45 5.430 -3.941 -6.986 365 HA ALA 45 HA ALA 45 6.971 -5.605 -5.117 366 HB1 ALA 45 3HB ALA 45 4.643 -6.386 -5.085 367 HB2 ALA 45 1HB ALA 45 5.712 -7.579 -5.827 368 HB3 ALA 45 2HB ALA 45 4.682 -6.567 -6.839 369 H TRP 46 H TRP 46 8.682 -6.648 -6.079 370 HA TRP 46 HA TRP 46 8.900 -6.230 -8.972 371 HB2 TRP 46 2HB TRP 46 11.389 -6.328 -8.651 372 HB3 TRP 46 3HB TRP 46 10.596 -4.924 -7.961 373 HD1 TRP 46 HD1 TRP 46 10.369 -4.903 -5.223 374 HE1 TRP 46 HE1 TRP 46 11.952 -5.886 -3.449 375 HE3 TRP 46 HE3 TRP 46 12.928 -8.207 -8.170 376 HZ2 TRP 46 HZ2 TRP 46 14.011 -7.808 -3.317 377 HZ3 TRP 46 HZ3 TRP 46 14.695 -9.578 -7.137 378 HH2 TRP 46 HH2 TRP 46 15.224 -9.380 -4.764 379 H SER 47 H SER 47 9.234 -7.844 -10.271 380 HA SER 47 HA SER 47 8.703 -10.481 -9.314 381 HB2 SER 47 2HB SER 47 9.548 -10.048 -12.123 382 HB3 SER 47 3HB SER 47 8.133 -10.890 -11.487 383 HG SER 47 HG SER 47 7.017 -9.069 -11.496 384 HA PRO 48 HA PRO 48 12.852 -12.154 -9.378 385 HB2 PRO 48 2HB PRO 48 12.424 -14.600 -10.522 386 HB3 PRO 48 3HB PRO 48 12.052 -14.233 -8.835 387 HG2 PRO 48 2HG PRO 48 10.231 -14.347 -11.198 388 HG3 PRO 48 3HG PRO 48 9.954 -14.909 -9.538 389 HD2 PRO 48 2HD PRO 48 8.939 -12.580 -10.483 390 HD3 PRO 48 3HD PRO 48 9.400 -12.806 -8.785 391 H ASP 49 H ASP 49 13.445 -10.532 -10.949 392 HA ASP 49 HA ASP 49 14.438 -9.819 -12.848 393 HB2 ASP 49 2HB ASP 49 15.831 -11.823 -12.576 394 HB3 ASP 49 3HB ASP 49 14.660 -12.768 -13.487 395 H HIS 50 H HIS 50 12.412 -8.902 -13.376 396 HA HIS 50 HA HIS 50 10.534 -8.501 -14.611 397 HB2 HIS 50 2HB HIS 50 11.027 -8.155 -16.964 398 HB3 HIS 50 3HB HIS 50 12.368 -7.625 -15.966 399 HD1 HIS 50 HD1 HIS 50 11.504 -9.821 -18.776 400 HD2 HIS 50 HD2 HIS 50 14.685 -9.348 -16.136 401 HE1 HIS 50 HE1 HIS 50 13.426 -11.090 -19.790 402 HE2 HIS 50 HE2 HIS 50 15.293 -10.915 -18.105 403 H THR 51 H THR 51 10.249 -11.128 -13.689 404 HA THR 51 HA THR 51 9.286 -12.639 -15.992 405 HB THR 51 HB THR 51 9.395 -13.450 -13.079 406 HG1 THR 51 HG1 THR 51 11.478 -13.491 -13.675 407 HG21 THR 51 3HG2 THR 51 7.677 -14.657 -14.369 408 HG22 THR 51 1HG2 THR 51 9.011 -15.714 -13.906 409 HG23 THR 51 2HG2 THR 51 8.900 -15.106 -15.557 410 H LYS 52 H LYS 52 7.282 -12.491 -16.637 411 HA LYS 52 HA LYS 52 5.042 -12.322 -16.715 412 HB2 LYS 52 2HB LYS 52 5.195 -12.686 -13.726 413 HB3 LYS 52 3HB LYS 52 3.690 -12.592 -14.626 414 HG2 LYS 52 2HG LYS 52 4.394 -14.574 -15.928 415 HG3 LYS 52 3HG LYS 52 5.829 -14.693 -14.906 416 HD2 LYS 52 2HD LYS 52 4.356 -14.904 -12.934 417 HD3 LYS 52 3HD LYS 52 2.955 -14.876 -13.999 418 HE2 LYS 52 2HE LYS 52 3.530 -17.155 -13.359 419 HE3 LYS 52 3HE LYS 52 3.751 -16.911 -15.093 420 HZ1 LYS 52 3HZ LYS 52 5.575 -18.152 -13.975 421 HZ2 LYS 52 1HZ LYS 52 5.959 -16.745 -13.114 422 HZ3 LYS 52 2HZ LYS 52 6.092 -16.770 -14.806 423 H MET 53 H MET 53 5.213 -10.732 -13.566 424 HA MET 53 HA MET 53 4.999 -8.098 -14.688 425 HB2 MET 53 2HB MET 53 2.711 -7.640 -13.924 426 HB3 MET 53 3HB MET 53 2.727 -8.908 -15.141 427 HG2 MET 53 2HG MET 53 2.475 -10.597 -13.419 428 HG3 MET 53 3HG MET 53 2.527 -9.355 -12.171 429 HE1 MET 53 3HE MET 53 0.242 -10.383 -11.186 430 HE2 MET 53 1HE MET 53 0.222 -11.574 -12.485 431 HE3 MET 53 2HE MET 53 -1.214 -10.604 -12.154 432 H GLY 54 H GLY 54 4.633 -6.454 -12.992 433 HA2 GLY 54 2HA GLY 54 5.118 -7.443 -10.256 434 HA3 GLY 54 3HA GLY 54 6.167 -6.201 -10.932 435 H LYS 55 H LYS 55 5.128 -4.217 -11.670 436 HA LYS 55 HA LYS 55 3.842 -2.381 -11.389 437 HB2 LYS 55 2HB LYS 55 1.626 -4.347 -10.794 438 HB3 LYS 55 3HB LYS 55 1.432 -2.671 -11.293 439 HG2 LYS 55 2HG LYS 55 2.795 -3.389 -13.372 440 HG3 LYS 55 3HG LYS 55 2.336 -5.022 -12.896 441 HD2 LYS 55 2HD LYS 55 0.431 -2.747 -13.423 442 HD3 LYS 55 3HD LYS 55 0.798 -4.054 -14.550 443 HE2 LYS 55 2HE LYS 55 -0.071 -5.674 -12.914 444 HE3 LYS 55 3HE LYS 55 -0.478 -4.337 -11.835 445 HZ1 LYS 55 3HZ LYS 55 -1.588 -4.735 -14.566 446 HZ2 LYS 55 1HZ LYS 55 -1.998 -3.481 -13.499 447 HZ3 LYS 55 2HZ LYS 55 -2.398 -5.086 -13.120 448 H GLY 56 H GLY 56 1.644 -1.896 -9.709 449 HA2 GLY 56 2HA GLY 56 1.722 -2.498 -7.071 450 HA3 GLY 56 3HA GLY 56 3.022 -1.322 -7.259 451 H ILE 57 H ILE 57 1.723 0.057 -5.847 452 HA ILE 57 HA ILE 57 -0.187 1.568 -7.476 453 HB ILE 57 HB ILE 57 -1.519 0.225 -5.929 454 HG12 ILE 57 2HG1 ILE 57 -1.511 3.116 -5.044 455 HG13 ILE 57 3HG1 ILE 57 -2.182 2.565 -6.576 456 HG21 ILE 57 1HG2 ILE 57 -1.391 0.553 -3.512 457 HG22 ILE 57 2HG2 ILE 57 -0.013 1.632 -3.729 458 HG23 ILE 57 3HG2 ILE 57 0.129 -0.072 -4.154 459 HD11 ILE 57 3HD1 ILE 57 -3.917 2.878 -4.913 460 HD12 ILE 57 1HD1 ILE 57 -3.112 1.731 -3.839 461 HD13 ILE 57 2HD1 ILE 57 -3.787 1.179 -5.373 462 H THR 58 H THR 58 0.054 3.713 -7.414 463 HA THR 58 HA THR 58 2.334 4.710 -5.918 464 HB THR 58 HB THR 58 1.915 6.776 -7.407 465 HG1 THR 58 HG1 THR 58 0.644 6.467 -9.182 466 HG21 THR 58 3HG2 THR 58 3.768 5.177 -7.690 467 HG22 THR 58 1HG2 THR 58 3.170 5.786 -9.235 468 HG23 THR 58 2HG2 THR 58 2.723 4.169 -8.694 469 H LEU 59 H LEU 59 2.258 6.320 -4.467 470 HA LEU 59 HA LEU 59 -0.403 7.375 -3.759 471 HB2 LEU 59 2HB LEU 59 1.741 6.440 -1.843 472 HB3 LEU 59 3HB LEU 59 0.243 7.223 -1.382 473 HG LEU 59 HG LEU 59 0.410 4.548 -2.771 474 HD11 LEU 59 1HD1 LEU 59 -0.117 5.209 0.121 475 HD12 LEU 59 2HD1 LEU 59 1.340 4.448 -0.515 476 HD13 LEU 59 3HD1 LEU 59 -0.207 3.606 -0.608 477 HD21 LEU 59 3HD2 LEU 59 -1.663 5.735 -3.229 478 HD22 LEU 59 1HD2 LEU 59 -1.899 6.014 -1.502 479 HD23 LEU 59 2HD2 LEU 59 -1.954 4.374 -2.148 480 H SER 60 H SER 60 -0.457 9.496 -3.065 481 HA SER 60 HA SER 60 1.875 11.127 -3.491 482 HB2 SER 60 2HB SER 60 -0.337 12.052 -3.968 483 HB3 SER 60 3HB SER 60 -0.841 11.778 -2.303 484 HG SER 60 HG SER 60 -0.073 13.984 -2.958 485 H ASN 61 H ASN 61 2.940 12.356 -1.826 486 HA ASN 61 HA ASN 61 3.672 10.869 0.421 487 HB2 ASN 61 2HB ASN 61 3.889 13.857 -0.003 488 HB3 ASN 61 3HB ASN 61 4.742 12.947 1.237 489 HD21 ASN 61 1HD2 ASN 61 5.755 14.571 -0.968 490 HD22 ASN 61 2HD2 ASN 61 6.792 13.528 -1.882 491 H GLU 62 H GLU 62 1.148 13.229 -0.025 492 HA GLU 62 HA GLU 62 0.515 13.545 2.741 493 HB2 GLU 62 2HB GLU 62 -0.044 15.241 1.052 494 HB3 GLU 62 3HB GLU 62 -1.143 14.109 0.278 495 HG2 GLU 62 2HG GLU 62 -2.563 14.097 2.227 496 HG3 GLU 62 3HG GLU 62 -1.431 15.136 3.092 497 H GLU 63 H GLU 63 -0.837 11.618 0.083 498 HA GLU 63 HA GLU 63 -2.932 10.423 1.542 499 HB2 GLU 63 2HB GLU 63 -1.397 9.207 -0.765 500 HB3 GLU 63 3HB GLU 63 -3.021 8.781 -0.241 501 HG2 GLU 63 2HG GLU 63 -3.837 10.959 -0.915 502 HG3 GLU 63 3HG GLU 63 -2.204 11.451 -1.363 503 H PHE 64 H PHE 64 0.417 9.533 0.966 504 HA PHE 64 HA PHE 64 0.453 7.027 2.199 505 HB2 PHE 64 2HB PHE 64 2.257 8.163 0.787 506 HB3 PHE 64 3HB PHE 64 2.733 9.001 2.259 507 HD1 PHE 64 HD2 PHE 64 2.459 5.712 0.635 508 HD2 PHE 64 HD1 PHE 64 3.993 7.904 3.945 509 HE1 PHE 64 HE2 PHE 64 3.879 3.797 1.240 510 HE2 PHE 64 HE1 PHE 64 5.416 5.992 4.553 511 HZ PHE 64 HZ PHE 64 5.358 3.936 3.197 512 H GLN 65 H GLN 65 1.313 10.215 3.560 513 HA GLN 65 HA GLN 65 1.718 9.382 6.197 514 HB2 GLN 65 2HB GLN 65 2.392 11.584 5.428 515 HB3 GLN 65 3HB GLN 65 0.719 12.032 5.135 516 HG2 GLN 65 2HG GLN 65 1.547 13.053 7.169 517 HG3 GLN 65 3HG GLN 65 0.254 11.910 7.523 518 HE21 GLN 65 1HE2 GLN 65 0.727 10.016 8.618 519 HE22 GLN 65 2HE2 GLN 65 2.221 9.782 9.457 520 H THR 66 H THR 66 -1.238 10.269 4.493 521 HA THR 66 HA THR 66 -3.001 10.398 6.640 522 HB THR 66 HB THR 66 -3.513 9.463 3.807 523 HG1 THR 66 HG1 THR 66 -2.808 11.619 3.934 524 HG21 THR 66 3HG2 THR 66 -5.487 10.327 5.927 525 HG22 THR 66 1HG2 THR 66 -5.290 8.688 5.310 526 HG23 THR 66 2HG2 THR 66 -5.871 9.968 4.244 527 H MET 67 H MET 67 -2.167 7.548 4.633 528 HA MET 67 HA MET 67 -3.809 5.821 6.188 529 HB2 MET 67 2HB MET 67 -2.944 4.015 4.877 530 HB3 MET 67 3HB MET 67 -3.236 5.379 3.817 531 HG2 MET 67 2HG MET 67 -1.233 4.603 3.040 532 HG3 MET 67 3HG MET 67 -0.707 5.852 4.165 533 HE1 MET 67 3HE MET 67 1.083 3.401 2.982 534 HE2 MET 67 1HE MET 67 2.012 2.991 4.424 535 HE3 MET 67 2HE MET 67 1.725 4.682 4.012 536 H VAL 68 H VAL 68 -0.408 6.731 6.322 537 HA VAL 68 HA VAL 68 0.465 4.786 8.149 538 HB VAL 68 HB VAL 68 1.388 7.646 7.800 539 HG11 VAL 68 1HG1 VAL 68 3.389 7.030 9.045 540 HG12 VAL 68 2HG1 VAL 68 2.731 5.420 9.337 541 HG13 VAL 68 3HG1 VAL 68 1.952 6.834 10.048 542 HG21 VAL 68 3HG2 VAL 68 1.727 6.253 5.844 543 HG22 VAL 68 1HG2 VAL 68 2.519 5.024 6.830 544 HG23 VAL 68 2HG2 VAL 68 3.272 6.601 6.618 545 H ASP 69 H ASP 69 -0.788 8.053 8.738 546 HA ASP 69 HA ASP 69 -0.792 7.962 11.538 547 HB2 ASP 69 2HB ASP 69 -1.078 10.071 10.491 548 HB3 ASP 69 3HB ASP 69 -2.428 9.493 9.522 549 H ALA 70 H ALA 70 -3.258 7.036 9.190 550 HA ALA 70 HA ALA 70 -5.258 6.447 11.098 551 HB1 ALA 70 3HB ALA 70 -6.464 5.435 9.263 552 HB2 ALA 70 1HB ALA 70 -5.000 5.423 8.279 553 HB3 ALA 70 2HB ALA 70 -5.733 6.956 8.748 554 H PHE 71 H PHE 71 -2.918 4.351 9.387 555 HA PHE 71 HA PHE 71 -3.948 1.965 10.587 556 HB2 PHE 71 2HB PHE 71 -1.435 2.514 9.016 557 HB3 PHE 71 3HB PHE 71 -1.817 0.924 9.670 558 HD1 PHE 71 HD1 PHE 71 -4.727 0.797 9.218 559 HD2 PHE 71 HD2 PHE 71 -1.598 2.257 6.732 560 HE1 PHE 71 HE1 PHE 71 -6.085 0.307 7.226 561 HE2 PHE 71 HE2 PHE 71 -2.947 1.770 4.739 562 HZ PHE 71 HZ PHE 71 -5.195 0.796 4.986 563 H LYS 72 H LYS 72 -1.521 4.280 11.524 564 HA LYS 72 HA LYS 72 -0.373 2.612 13.554 565 HB2 LYS 72 2HB LYS 72 0.985 4.384 12.759 566 HB3 LYS 72 3HB LYS 72 -0.282 5.579 13.003 567 HG2 LYS 72 2HG LYS 72 -0.013 5.439 15.387 568 HG3 LYS 72 3HG LYS 72 1.130 4.105 15.217 569 HD2 LYS 72 2HD LYS 72 2.725 5.528 14.136 570 HD3 LYS 72 3HD LYS 72 1.565 6.853 14.056 571 HE2 LYS 72 2HE LYS 72 2.577 5.648 16.624 572 HE3 LYS 72 3HE LYS 72 3.280 7.073 15.860 573 HZ1 LYS 72 3HZ LYS 72 1.765 7.808 17.506 574 HZ2 LYS 72 1HZ LYS 72 0.529 6.788 16.944 575 HZ3 LYS 72 2HZ LYS 72 1.038 8.108 16.005 576 H GLY 73 H GLY 73 -3.135 4.684 13.288 577 HA2 GLY 73 2HA GLY 73 -3.687 4.648 16.142 578 HA3 GLY 73 3HA GLY 73 -4.701 5.351 14.888 579 H ASN 74 H ASN 74 -5.194 3.293 13.212 580 HA ASN 74 HA ASN 74 -6.849 1.535 14.855 581 HB2 ASN 74 2HB ASN 74 -6.755 2.100 11.891 582 HB3 ASN 74 3HB ASN 74 -7.693 0.768 12.553 583 HD21 ASN 74 1HD2 ASN 74 -7.268 3.894 14.103 584 HD22 ASN 74 2HD2 ASN 74 -8.915 4.399 13.946 585 H LEU 75 H LEU 75 -7.016 -0.720 13.255 586 HA LEU 75 HA LEU 75 -6.062 -2.774 13.083 587 HB2 LEU 75 2HB LEU 75 -5.102 -1.472 11.115 588 HB3 LEU 75 3HB LEU 75 -3.636 -1.299 12.059 589 HG LEU 75 HG LEU 75 -3.306 -3.709 12.070 590 HD11 LEU 75 1HD1 LEU 75 -5.652 -4.391 12.112 591 HD12 LEU 75 2HD1 LEU 75 -4.771 -5.195 10.812 592 HD13 LEU 75 3HD1 LEU 75 -5.843 -3.842 10.447 593 HD21 LEU 75 3HD2 LEU 75 -2.560 -2.272 10.138 594 HD22 LEU 75 1HD2 LEU 75 -3.956 -2.880 9.249 595 HD23 LEU 75 2HD2 LEU 75 -2.703 -3.998 9.801 596 H GLU 76 H GLU 76 -3.116 -3.304 13.285 597 HA GLU 76 HA GLU 76 -1.688 -4.060 14.888 598 HB2 GLU 76 2HB GLU 76 -1.362 -1.585 15.085 599 HB3 GLU 76 3HB GLU 76 -2.559 -1.561 16.369 600 HG2 GLU 76 2HG GLU 76 -0.362 -1.486 17.315 601 HG3 GLU 76 3HG GLU 76 -1.105 -3.036 17.704 602 H HIS 77 H HIS 77 -4.515 -4.821 14.928 603 HA HIS 77 HA HIS 77 -5.044 -5.237 17.776 604 HB2 HIS 77 2HB HIS 77 -6.789 -5.628 15.340 605 HB3 HIS 77 3HB HIS 77 -7.274 -6.090 16.965 606 HD1 HIS 77 HD1 HIS 77 -7.133 -3.890 18.715 607 HD2 HIS 77 HD2 HIS 77 -7.671 -3.188 14.653 608 HE1 HIS 77 HE1 HIS 77 -8.130 -1.585 18.547 609 HE2 HIS 77 HE2 HIS 77 -8.593 -1.243 16.095 610 H HIS 78 H HIS 78 -3.507 -6.879 18.171 611 HA HIS 78 HA HIS 78 -3.707 -9.366 16.716 612 HB2 HIS 78 2HB HIS 78 -1.541 -8.716 17.674 613 HB3 HIS 78 3HB HIS 78 -2.244 -8.709 19.287 614 HD1 HIS 78 HD1 HIS 78 -1.170 -10.631 20.451 615 HD2 HIS 78 HD2 HIS 78 -2.363 -11.616 16.587 616 HE1 HIS 78 HE1 HIS 78 -0.754 -13.100 20.218 617 HE2 HIS 78 HE2 HIS 78 -1.569 -13.702 17.916 618 H HIS 79 H HIS 79 -5.629 -10.309 16.920 619 HA HIS 79 HA HIS 79 -6.686 -10.637 19.643 620 HB2 HIS 79 2HB HIS 79 -8.915 -11.030 18.529 621 HB3 HIS 79 3HB HIS 79 -8.286 -9.397 18.399 622 HD1 HIS 79 HD1 HIS 79 -7.664 -8.555 16.030 623 HD2 HIS 79 HD2 HIS 79 -9.196 -12.413 16.114 624 HE1 HIS 79 HE1 HIS 79 -8.207 -9.111 13.645 625 HE2 HIS 79 HE2 HIS 79 -9.398 -11.331 13.774 626 H HIS 80 H HIS 80 -5.418 -12.426 20.080 627 HA HIS 80 HA HIS 80 -4.813 -14.609 20.148 628 HB2 HIS 80 2HB HIS 80 -7.631 -14.966 19.115 629 HB3 HIS 80 3HB HIS 80 -6.614 -16.282 19.694 630 HD1 HIS 80 HD1 HIS 80 -9.045 -13.847 20.803 631 HD2 HIS 80 HD2 HIS 80 -5.891 -15.941 22.533 632 HE1 HIS 80 HE1 HIS 80 -9.429 -13.735 23.288 633 HE2 HIS 80 HE2 HIS 80 -7.394 -14.808 24.308 634 H HIS 81 H HIS 81 -6.694 -15.983 17.762 635 HA HIS 81 HA HIS 81 -6.409 -16.709 15.660 636 HB2 HIS 81 2HB HIS 81 -5.895 -15.123 14.181 637 HB3 HIS 81 3HB HIS 81 -5.465 -14.093 15.534 638 HD1 HIS 81 HD1 HIS 81 -3.907 -16.310 12.903 639 HD2 HIS 81 HD2 HIS 81 -2.780 -13.469 15.725 640 HE1 HIS 81 HE1 HIS 81 -1.504 -15.782 12.412 641 HE2 HIS 81 HE2 HIS 81 -0.928 -13.882 13.964 642 H HIS 82 H HIS 82 -5.462 -18.473 14.951 643 HA HIS 82 HA HIS 82 -2.807 -19.114 16.027 644 HB2 HIS 82 2HB HIS 82 -3.482 -21.524 15.503 645 HB3 HIS 82 3HB HIS 82 -4.288 -20.748 16.857 646 HD1 HIS 82 HD1 HIS 82 -6.804 -20.644 16.798 647 HD2 HIS 82 HD2 HIS 82 -5.162 -21.816 13.157 648 HE1 HIS 82 HE1 HIS 82 -8.744 -21.365 15.374 649 HE2 HIS 82 HE2 HIS 82 -7.746 -21.860 13.118 650 H1 MET 1 1H MET 1 -16.032 -27.645 -7.220 651 H2 MET 1 2H MET 1 -15.554 -29.270 -7.137 652 H3 MET 1 3H MET 1 -17.116 -28.816 -6.653 653 HA MET 1 HA MET 1 -16.030 -28.624 -9.406 654 HB2 MET 1 2HB MET 1 -17.527 -30.452 -9.957 655 HB3 MET 1 3HB MET 1 -16.444 -30.944 -8.661 656 HG2 MET 1 2HG MET 1 -18.220 -30.558 -7.032 657 HG3 MET 1 3HG MET 1 -19.305 -30.071 -8.333 658 HE1 MET 1 3HE MET 1 -21.137 -31.835 -7.591 659 HE2 MET 1 1HE MET 1 -20.103 -32.296 -6.240 660 HE3 MET 1 2HE MET 1 -20.782 -33.538 -7.291 661 H LYS 2 H LYS 2 -17.733 -26.916 -7.335 662 HA LYS 2 HA LYS 2 -20.119 -26.508 -8.981 663 HB2 LYS 2 2HB LYS 2 -19.357 -25.321 -6.301 664 HB3 LYS 2 3HB LYS 2 -20.912 -25.138 -7.104 665 HG2 LYS 2 2HG LYS 2 -21.424 -27.436 -6.829 666 HG3 LYS 2 3HG LYS 2 -19.781 -27.808 -6.314 667 HD2 LYS 2 2HD LYS 2 -21.160 -27.784 -4.367 668 HD3 LYS 2 3HD LYS 2 -20.157 -26.331 -4.329 669 HE2 LYS 2 2HE LYS 2 -22.014 -25.006 -5.158 670 HE3 LYS 2 3HE LYS 2 -23.018 -26.454 -5.275 671 HZ1 LYS 2 3HZ LYS 2 -21.982 -25.151 -2.823 672 HZ2 LYS 2 1HZ LYS 2 -22.627 -26.717 -2.823 673 HZ3 LYS 2 2HZ LYS 2 -23.598 -25.405 -3.268 674 H LYS 3 H LYS 3 -20.477 -24.663 -10.143 675 HA LYS 3 HA LYS 3 -18.185 -22.839 -10.330 676 HB2 LYS 3 2HB LYS 3 -20.456 -23.253 -12.284 677 HB3 LYS 3 3HB LYS 3 -19.059 -22.217 -12.530 678 HG2 LYS 3 2HG LYS 3 -18.974 -25.210 -12.210 679 HG3 LYS 3 3HG LYS 3 -18.883 -24.334 -13.738 680 HD2 LYS 3 2HD LYS 3 -16.838 -23.215 -12.944 681 HD3 LYS 3 3HD LYS 3 -16.919 -24.165 -11.456 682 HE2 LYS 3 2HE LYS 3 -15.363 -25.201 -12.978 683 HE3 LYS 3 3HE LYS 3 -16.787 -26.227 -12.810 684 HZ1 LYS 3 3HZ LYS 3 -16.094 -24.458 -15.094 685 HZ2 LYS 3 1HZ LYS 3 -17.617 -25.181 -14.912 686 HZ3 LYS 3 2HZ LYS 3 -16.237 -26.148 -15.097 687 H MET 4 H MET 4 -21.525 -22.243 -11.272 688 HA MET 4 HA MET 4 -22.979 -20.581 -10.883 689 HB2 MET 4 2HB MET 4 -21.588 -20.623 -8.229 690 HB3 MET 4 3HB MET 4 -22.872 -19.471 -8.572 691 HG2 MET 4 2HG MET 4 -23.094 -22.469 -8.678 692 HG3 MET 4 3HG MET 4 -23.736 -21.419 -7.420 693 HE1 MET 4 3HE MET 4 -26.117 -22.596 -7.743 694 HE2 MET 4 1HE MET 4 -25.445 -23.608 -9.023 695 HE3 MET 4 2HE MET 4 -26.938 -22.713 -9.299 696 H ALA 5 H ALA 5 -19.674 -19.667 -10.014 697 HA ALA 5 HA ALA 5 -19.911 -17.333 -11.728 698 HB1 ALA 5 3HB ALA 5 -19.010 -15.809 -10.023 699 HB2 ALA 5 1HB ALA 5 -19.117 -17.099 -8.823 700 HB3 ALA 5 2HB ALA 5 -20.585 -16.453 -9.556 701 H GLU 6 H GLU 6 -18.060 -16.949 -12.794 702 HA GLU 6 HA GLU 6 -15.925 -18.797 -12.699 703 HB2 GLU 6 2HB GLU 6 -15.181 -16.211 -13.844 704 HB3 GLU 6 3HB GLU 6 -15.234 -17.793 -14.600 705 HG2 GLU 6 2HG GLU 6 -16.707 -16.431 -15.817 706 HG3 GLU 6 3HG GLU 6 -17.721 -17.478 -14.827 707 H PHE 7 H PHE 7 -15.832 -15.317 -12.023 708 HA PHE 7 HA PHE 7 -14.139 -15.870 -9.693 709 HB2 PHE 7 2HB PHE 7 -13.660 -13.639 -11.681 710 HB3 PHE 7 3HB PHE 7 -12.777 -13.882 -10.179 711 HD1 PHE 7 HD1 PHE 7 -11.319 -15.887 -9.928 712 HD2 PHE 7 HD2 PHE 7 -13.095 -14.819 -13.643 713 HE1 PHE 7 HE1 PHE 7 -9.700 -17.318 -11.108 714 HE2 PHE 7 HE2 PHE 7 -11.485 -16.251 -14.830 715 HZ PHE 7 HZ PHE 7 -9.782 -17.501 -13.562 716 H THR 8 H THR 8 -15.689 -15.478 -8.210 717 HA THR 8 HA THR 8 -17.187 -12.979 -8.356 718 HB THR 8 HB THR 8 -18.532 -14.914 -7.817 719 HG1 THR 8 HG1 THR 8 -19.247 -13.109 -6.714 720 HG21 THR 8 3HG2 THR 8 -16.721 -15.339 -5.434 721 HG22 THR 8 1HG2 THR 8 -16.767 -16.343 -6.884 722 HG23 THR 8 2HG2 THR 8 -18.172 -16.268 -5.821 723 H PHE 9 H PHE 9 -16.928 -11.328 -6.907 724 HA PHE 9 HA PHE 9 -15.187 -11.625 -4.636 725 HB2 PHE 9 2HB PHE 9 -13.678 -9.748 -5.340 726 HB3 PHE 9 3HB PHE 9 -13.478 -11.223 -6.278 727 HD1 PHE 9 HD2 PHE 9 -14.211 -11.327 -8.600 728 HD2 PHE 9 HD1 PHE 9 -14.507 -7.729 -6.344 729 HE1 PHE 9 HE2 PHE 9 -14.527 -10.052 -10.681 730 HE2 PHE 9 HE1 PHE 9 -14.819 -6.449 -8.421 731 HZ PHE 9 HZ PHE 9 -14.830 -7.610 -10.593 732 H GLU 10 H GLU 10 -15.510 -10.061 -3.089 733 HA GLU 10 HA GLU 10 -17.317 -7.854 -3.749 734 HB2 GLU 10 2HB GLU 10 -18.743 -9.781 -3.112 735 HB3 GLU 10 3HB GLU 10 -17.914 -9.861 -1.565 736 HG2 GLU 10 2HG GLU 10 -20.115 -8.757 -1.450 737 HG3 GLU 10 3HG GLU 10 -18.787 -7.726 -0.919 738 H ILE 11 H ILE 11 -17.312 -6.146 -2.230 739 HA ILE 11 HA ILE 11 -14.848 -5.876 -0.773 740 HB ILE 11 HB ILE 11 -17.247 -4.031 -0.902 741 HG12 ILE 11 2HG1 ILE 11 -15.518 -2.603 -2.186 742 HG13 ILE 11 3HG1 ILE 11 -14.598 -4.094 -2.346 743 HG21 ILE 11 1HG2 ILE 11 -16.080 -3.684 1.184 744 HG22 ILE 11 2HG2 ILE 11 -15.754 -2.334 0.096 745 HG23 ILE 11 3HG2 ILE 11 -14.535 -3.585 0.339 746 HD11 ILE 11 3HD1 ILE 11 -16.465 -5.116 -3.533 747 HD12 ILE 11 1HD1 ILE 11 -15.928 -3.637 -4.330 748 HD13 ILE 11 2HD1 ILE 11 -17.397 -3.630 -3.354 749 H GLU 12 H GLU 12 -14.575 -6.860 1.079 750 HA GLU 12 HA GLU 12 -16.789 -7.719 2.701 751 HB2 GLU 12 2HB GLU 12 -14.153 -8.532 2.209 752 HB3 GLU 12 3HB GLU 12 -14.181 -8.046 3.898 753 HG2 GLU 12 2HG GLU 12 -16.168 -9.953 2.714 754 HG3 GLU 12 3HG GLU 12 -14.640 -10.460 3.428 755 H GLU 13 H GLU 13 -14.089 -5.449 3.022 756 HA GLU 13 HA GLU 13 -15.492 -3.861 4.959 757 HB2 GLU 13 2HB GLU 13 -14.725 -5.634 6.434 758 HB3 GLU 13 3HB GLU 13 -13.090 -5.499 5.807 759 HG2 GLU 13 2HG GLU 13 -12.911 -3.260 6.766 760 HG3 GLU 13 3HG GLU 13 -14.550 -3.403 7.402 761 H HIS 14 H HIS 14 -14.957 -1.830 4.353 762 HA HIS 14 HA HIS 14 -12.396 -1.430 3.018 763 HB2 HIS 14 2HB HIS 14 -13.187 0.766 2.366 764 HB3 HIS 14 3HB HIS 14 -14.391 -0.443 1.956 765 HD1 HIS 14 HD1 HIS 14 -13.945 2.724 3.707 766 HD2 HIS 14 HD2 HIS 14 -16.699 -0.390 3.741 767 HE1 HIS 14 HE1 HIS 14 -15.994 3.644 4.833 768 HE2 HIS 14 HE2 HIS 14 -17.588 1.701 4.981 769 H LEU 15 H LEU 15 -10.682 -0.655 3.975 770 HA LEU 15 HA LEU 15 -10.911 -0.057 6.818 771 HB2 LEU 15 2HB LEU 15 -8.540 -0.705 5.071 772 HB3 LEU 15 3HB LEU 15 -8.427 -0.347 6.784 773 HG LEU 15 HG LEU 15 -10.005 -2.653 5.643 774 HD11 LEU 15 1HD1 LEU 15 -8.181 -4.064 6.461 775 HD12 LEU 15 2HD1 LEU 15 -7.267 -2.624 6.908 776 HD13 LEU 15 3HD1 LEU 15 -7.624 -2.951 5.213 777 HD21 LEU 15 3HD2 LEU 15 -10.786 -1.824 7.812 778 HD22 LEU 15 1HD2 LEU 15 -9.155 -1.999 8.461 779 HD23 LEU 15 2HD2 LEU 15 -10.058 -3.424 7.947 780 H LEU 16 H LEU 16 -9.303 1.286 3.949 781 HA LEU 16 HA LEU 16 -9.219 3.884 5.325 782 HB2 LEU 16 2HB LEU 16 -6.994 2.229 4.667 783 HB3 LEU 16 3HB LEU 16 -6.949 3.637 3.627 784 HG LEU 16 HG LEU 16 -5.597 3.969 5.627 785 HD11 LEU 16 1HD1 LEU 16 -6.507 6.097 6.349 786 HD12 LEU 16 2HD1 LEU 16 -8.076 5.683 5.656 787 HD13 LEU 16 3HD1 LEU 16 -6.680 5.908 4.602 788 HD21 LEU 16 3HD2 LEU 16 -6.860 2.491 7.121 789 HD22 LEU 16 1HD2 LEU 16 -8.169 3.671 7.167 790 HD23 LEU 16 2HD2 LEU 16 -6.586 4.083 7.825 791 H THR 17 H THR 17 -10.741 4.900 4.112 792 HA THR 17 HA THR 17 -10.545 4.873 1.219 793 HB THR 17 HB THR 17 -12.253 6.651 2.982 794 HG1 THR 17 HG1 THR 17 -12.811 4.093 1.810 795 HG21 THR 17 3HG2 THR 17 -12.505 5.873 0.071 796 HG22 THR 17 1HG2 THR 17 -12.012 7.450 0.681 797 HG23 THR 17 2HG2 THR 17 -13.652 6.867 0.970 798 H LEU 18 H LEU 18 -8.630 5.774 0.632 799 HA LEU 18 HA LEU 18 -7.361 7.829 2.111 800 HB2 LEU 18 2HB LEU 18 -6.781 6.819 -0.673 801 HB3 LEU 18 3HB LEU 18 -5.725 7.852 0.273 802 HG LEU 18 HG LEU 18 -6.521 5.040 1.035 803 HD11 LEU 18 1HD1 LEU 18 -5.078 5.087 -0.935 804 HD12 LEU 18 2HD1 LEU 18 -4.216 4.466 0.472 805 HD13 LEU 18 3HD1 LEU 18 -3.935 6.117 -0.075 806 HD21 LEU 18 3HD2 LEU 18 -4.776 5.267 2.727 807 HD22 LEU 18 1HD2 LEU 18 -6.050 6.464 2.962 808 HD23 LEU 18 2HD2 LEU 18 -4.514 6.942 2.238 809 H SER 19 H SER 19 -8.166 7.979 -1.349 810 HA SER 19 HA SER 19 -9.575 10.431 -1.187 811 HB2 SER 19 2HB SER 19 -7.569 11.648 -2.467 812 HB3 SER 19 3HB SER 19 -7.701 11.680 -0.708 813 HG SER 19 HG SER 19 -5.841 10.411 -2.328 814 H GLU 20 H GLU 20 -9.716 11.481 -3.444 815 HA GLU 20 HA GLU 20 -9.545 9.339 -5.447 816 HB2 GLU 20 2HB GLU 20 -11.355 10.416 -6.661 817 HB3 GLU 20 3HB GLU 20 -11.847 10.044 -5.019 818 HG2 GLU 20 2HG GLU 20 -11.478 12.380 -4.390 819 HG3 GLU 20 3HG GLU 20 -11.026 12.740 -6.057 820 H ASN 21 H ASN 21 -8.645 9.705 -7.360 821 HA ASN 21 HA ASN 21 -6.616 11.752 -7.422 822 HB2 ASN 21 2HB ASN 21 -7.232 9.550 -9.412 823 HB3 ASN 21 3HB ASN 21 -5.787 10.554 -9.402 824 HD21 ASN 21 1HD2 ASN 21 -7.471 7.930 -7.875 825 HD22 ASN 21 2HD2 ASN 21 -6.140 7.360 -6.932 826 H GLU 22 H GLU 22 -6.199 12.856 -9.534 827 HA GLU 22 HA GLU 22 -8.015 14.831 -9.894 828 HB2 GLU 22 2HB GLU 22 -6.800 15.366 -12.007 829 HB3 GLU 22 3HB GLU 22 -5.761 15.090 -10.615 830 HG2 GLU 22 2HG GLU 22 -5.237 12.866 -11.397 831 HG3 GLU 22 3HG GLU 22 -6.351 13.050 -12.749 832 H LYS 23 H LYS 23 -7.937 11.829 -11.783 833 HA LYS 23 HA LYS 23 -9.881 12.826 -13.671 834 HB2 LYS 23 2HB LYS 23 -8.744 10.054 -13.286 835 HB3 LYS 23 3HB LYS 23 -9.800 10.530 -14.605 836 HG2 LYS 23 2HG LYS 23 -7.028 11.566 -14.061 837 HG3 LYS 23 3HG LYS 23 -7.516 10.471 -15.356 838 HD2 LYS 23 2HD LYS 23 -9.046 12.306 -16.168 839 HD3 LYS 23 3HD LYS 23 -8.248 13.373 -15.011 840 HE2 LYS 23 2HE LYS 23 -6.957 11.896 -17.299 841 HE3 LYS 23 3HE LYS 23 -7.242 13.632 -17.196 842 HZ1 LYS 23 3HZ LYS 23 -4.955 13.095 -16.685 843 HZ2 LYS 23 1HZ LYS 23 -5.433 12.056 -15.439 844 HZ3 LYS 23 2HZ LYS 23 -5.714 13.723 -15.308 845 H GLY 24 H GLY 24 -10.373 12.272 -10.634 846 HA2 GLY 24 2HA GLY 24 -12.318 11.859 -9.453 847 HA3 GLY 24 3HA GLY 24 -13.097 11.398 -10.963 848 H TRP 25 H TRP 25 -10.090 9.960 -10.039 849 HA TRP 25 HA TRP 25 -11.441 7.350 -10.022 850 HB2 TRP 25 2HB TRP 25 -8.602 8.231 -10.465 851 HB3 TRP 25 3HB TRP 25 -8.963 6.556 -10.066 852 HD1 TRP 25 HD1 TRP 25 -10.881 8.867 -12.528 853 HE1 TRP 25 HE1 TRP 25 -10.912 7.716 -14.834 854 HE3 TRP 25 HE3 TRP 25 -7.998 4.796 -11.419 855 HZ2 TRP 25 HZ2 TRP 25 -9.833 5.384 -16.014 856 HZ3 TRP 25 HZ3 TRP 25 -7.544 3.157 -13.191 857 HH2 TRP 25 HH2 TRP 25 -8.446 3.444 -15.442 858 H THR 26 H THR 26 -11.600 6.108 -8.202 859 HA THR 26 HA THR 26 -10.816 7.445 -5.746 860 HB THR 26 HB THR 26 -12.051 5.013 -5.106 861 HG1 THR 26 HG1 THR 26 -13.059 4.552 -6.930 862 HG21 THR 26 3HG2 THR 26 -12.399 7.151 -3.972 863 HG22 THR 26 1HG2 THR 26 -13.939 6.444 -4.459 864 HG23 THR 26 2HG2 THR 26 -13.246 7.775 -5.386 865 H LYS 27 H LYS 27 -9.322 6.740 -4.337 866 HA LYS 27 HA LYS 27 -7.972 4.193 -4.925 867 HB2 LYS 27 2HB LYS 27 -6.647 6.166 -5.699 868 HB3 LYS 27 3HB LYS 27 -6.618 6.750 -4.041 869 HG2 LYS 27 2HG LYS 27 -5.266 4.958 -3.328 870 HG3 LYS 27 3HG LYS 27 -5.542 4.058 -4.821 871 HD2 LYS 27 2HD LYS 27 -3.320 5.073 -4.802 872 HD3 LYS 27 3HD LYS 27 -4.323 5.764 -6.078 873 HE2 LYS 27 2HE LYS 27 -4.832 7.667 -4.584 874 HE3 LYS 27 3HE LYS 27 -3.721 6.994 -3.394 875 HZ1 LYS 27 3HZ LYS 27 -3.061 8.019 -6.096 876 HZ2 LYS 27 1HZ LYS 27 -1.970 7.138 -5.144 877 HZ3 LYS 27 2HZ LYS 27 -2.554 8.633 -4.596 878 H GLU 28 H GLU 28 -8.041 2.863 -3.255 879 HA GLU 28 HA GLU 28 -8.320 3.908 -0.552 880 HB2 GLU 28 2HB GLU 28 -10.411 2.628 -0.184 881 HB3 GLU 28 3HB GLU 28 -10.601 3.944 -1.336 882 HG2 GLU 28 2HG GLU 28 -10.428 2.342 -3.183 883 HG3 GLU 28 3HG GLU 28 -10.265 1.031 -2.017 884 H ILE 29 H ILE 29 -8.655 2.100 1.007 885 HA ILE 29 HA ILE 29 -7.166 -0.320 0.230 886 HB ILE 29 HB ILE 29 -6.952 1.376 2.713 887 HG12 ILE 29 2HG1 ILE 29 -4.840 0.306 0.834 888 HG13 ILE 29 3HG1 ILE 29 -5.539 1.916 0.726 889 HG21 ILE 29 1HG2 ILE 29 -5.963 -1.435 2.317 890 HG22 ILE 29 2HG2 ILE 29 -7.163 -0.883 3.488 891 HG23 ILE 29 3HG2 ILE 29 -5.481 -0.376 3.640 892 HD11 ILE 29 3HD1 ILE 29 -3.379 1.982 1.805 893 HD12 ILE 29 1HD1 ILE 29 -3.924 0.828 3.021 894 HD13 ILE 29 2HD1 ILE 29 -4.646 2.435 2.945 895 H ASN 30 H ASN 30 -8.238 -2.215 0.700 896 HA ASN 30 HA ASN 30 -10.298 -2.240 2.725 897 HB2 ASN 30 2HB ASN 30 -12.177 -2.644 1.325 898 HB3 ASN 30 3HB ASN 30 -11.391 -1.198 0.714 899 HD21 ASN 30 1HD2 ASN 30 -9.245 -2.783 -0.603 900 HD22 ASN 30 2HD2 ASN 30 -9.988 -3.490 -1.989 901 H ARG 31 H ARG 31 -11.517 -4.328 2.719 902 HA ARG 31 HA ARG 31 -9.756 -6.588 2.090 903 HB2 ARG 31 2HB ARG 31 -12.093 -6.199 3.948 904 HB3 ARG 31 3HB ARG 31 -11.573 -7.812 3.481 905 HG2 ARG 31 2HG ARG 31 -9.570 -7.635 4.614 906 HG3 ARG 31 3HG ARG 31 -9.616 -5.871 4.621 907 HD2 ARG 31 2HD ARG 31 -10.076 -6.976 6.831 908 HD3 ARG 31 3HD ARG 31 -11.290 -5.826 6.286 909 HE ARG 31 HE ARG 31 -12.349 -8.107 5.434 910 HH11 ARG 31 1HH1 ARG 31 -10.871 -7.294 8.490 911 HH12 ARG 31 2HH1 ARG 31 -11.862 -8.378 9.419 912 HH21 ARG 31 1HH2 ARG 31 -13.722 -9.504 6.650 913 HH22 ARG 31 2HH2 ARG 31 -13.469 -9.641 8.364 914 H VAL 32 H VAL 32 -10.240 -7.923 0.438 915 HA VAL 32 HA VAL 32 -12.990 -7.814 -0.627 916 HB VAL 32 HB VAL 32 -10.493 -8.362 -2.238 917 HG11 VAL 32 1HG1 VAL 32 -13.353 -7.892 -3.086 918 HG12 VAL 32 2HG1 VAL 32 -12.492 -9.431 -3.130 919 HG13 VAL 32 3HG1 VAL 32 -11.980 -8.105 -4.174 920 HG21 VAL 32 3HG2 VAL 32 -10.860 -6.139 -3.238 921 HG22 VAL 32 1HG2 VAL 32 -10.482 -6.049 -1.519 922 HG23 VAL 32 2HG2 VAL 32 -12.145 -5.843 -2.067 923 H SER 33 H SER 33 -14.032 -9.711 -0.853 924 HA SER 33 HA SER 33 -12.657 -12.154 -0.078 925 HB2 SER 33 2HB SER 33 -15.019 -13.117 -0.351 926 HB3 SER 33 3HB SER 33 -14.802 -11.921 0.926 927 HG SER 33 HG SER 33 -16.653 -11.440 -0.280 928 H PHE 34 H PHE 34 -11.829 -13.528 -1.521 929 HA PHE 34 HA PHE 34 -12.497 -13.058 -4.345 930 HB2 PHE 34 2HB PHE 34 -9.942 -14.017 -3.066 931 HB3 PHE 34 3HB PHE 34 -10.232 -14.067 -4.803 932 HD1 PHE 34 HD1 PHE 34 -10.879 -11.832 -5.925 933 HD2 PHE 34 HD2 PHE 34 -9.022 -12.126 -2.108 934 HE1 PHE 34 HE1 PHE 34 -10.093 -9.510 -6.135 935 HE2 PHE 34 HE2 PHE 34 -8.240 -9.803 -2.304 936 HZ PHE 34 HZ PHE 34 -8.774 -8.494 -4.318 937 H ASN 35 H ASN 35 -13.786 -14.482 -5.135 938 HA ASN 35 HA ASN 35 -14.819 -16.410 -5.680 939 HB2 ASN 35 2HB ASN 35 -13.348 -18.161 -6.579 940 HB3 ASN 35 3HB ASN 35 -12.902 -16.554 -7.123 941 HD21 ASN 35 1HD2 ASN 35 -10.925 -15.732 -6.592 942 HD22 ASN 35 2HD2 ASN 35 -9.696 -16.656 -5.806 943 H GLY 36 H GLY 36 -14.608 -16.124 -2.814 944 HA2 GLY 36 2HA GLY 36 -15.947 -18.261 -1.954 945 HA3 GLY 36 3HA GLY 36 -14.299 -18.862 -1.890 946 H ALA 37 H ALA 37 -13.903 -19.027 0.194 947 HA ALA 37 HA ALA 37 -15.014 -17.312 2.155 948 HB1 ALA 37 3HB ALA 37 -12.816 -19.337 2.471 949 HB2 ALA 37 1HB ALA 37 -14.545 -19.679 2.561 950 HB3 ALA 37 2HB ALA 37 -13.789 -18.633 3.762 951 HA PRO 38 HA PRO 38 -10.277 -15.928 2.679 952 HB2 PRO 38 2HB PRO 38 -9.208 -15.481 0.138 953 HB3 PRO 38 3HB PRO 38 -8.793 -16.809 1.220 954 HG2 PRO 38 2HG PRO 38 -10.705 -16.754 -1.069 955 HG3 PRO 38 3HG PRO 38 -9.598 -18.044 -0.558 956 HD2 PRO 38 2HD PRO 38 -12.208 -18.204 -0.030 957 HD3 PRO 38 3HD PRO 38 -11.006 -18.730 1.169 958 H ALA 39 H ALA 39 -11.122 -14.024 3.357 959 HA ALA 39 HA ALA 39 -11.392 -11.917 1.315 960 HB1 ALA 39 3HB ALA 39 -13.444 -12.203 2.624 961 HB2 ALA 39 1HB ALA 39 -12.691 -10.641 2.959 962 HB3 ALA 39 2HB ALA 39 -12.529 -11.965 4.114 963 H LYS 40 H LYS 40 -9.491 -10.881 1.166 964 HA LYS 40 HA LYS 40 -7.901 -10.608 3.627 965 HB2 LYS 40 2HB LYS 40 -5.891 -10.758 2.087 966 HB3 LYS 40 3HB LYS 40 -6.800 -12.241 2.335 967 HG2 LYS 40 2HG LYS 40 -7.894 -11.979 0.200 968 HG3 LYS 40 3HG LYS 40 -7.102 -10.423 -0.042 969 HD2 LYS 40 2HD LYS 40 -5.591 -12.993 0.339 970 HD3 LYS 40 3HD LYS 40 -6.057 -12.373 -1.248 971 HE2 LYS 40 2HE LYS 40 -4.346 -10.954 0.788 972 HE3 LYS 40 3HE LYS 40 -3.770 -11.745 -0.680 973 HZ1 LYS 40 3HZ LYS 40 -4.886 -10.157 -2.018 974 HZ2 LYS 40 1HZ LYS 40 -4.044 -9.287 -0.835 975 HZ3 LYS 40 2HZ LYS 40 -5.719 -9.498 -0.700 976 H PHE 41 H PHE 41 -5.954 -9.043 3.032 977 HA PHE 41 HA PHE 41 -7.199 -6.466 2.652 978 HB2 PHE 41 2HB PHE 41 -5.725 -6.565 4.493 979 HB3 PHE 41 3HB PHE 41 -4.499 -7.433 3.581 980 HD1 PHE 41 HD2 PHE 41 -5.959 -4.180 4.336 981 HD2 PHE 41 HD1 PHE 41 -2.972 -6.259 2.135 982 HE1 PHE 41 HE2 PHE 41 -4.824 -2.058 3.856 983 HE2 PHE 41 HE1 PHE 41 -1.829 -4.138 1.671 984 HZ PHE 41 HZ PHE 41 -2.761 -2.031 2.528 985 H ASP 42 H ASP 42 -7.131 -5.311 0.814 986 HA ASP 42 HA ASP 42 -4.916 -5.717 -1.056 987 HB2 ASP 42 2HB ASP 42 -7.840 -6.005 -1.757 988 HB3 ASP 42 3HB ASP 42 -6.602 -5.681 -2.967 989 H ILE 43 H ILE 43 -4.258 -3.890 -2.079 990 HA ILE 43 HA ILE 43 -5.704 -1.416 -1.398 991 HB ILE 43 HB ILE 43 -2.883 -1.581 -2.468 992 HG12 ILE 43 2HG1 ILE 43 -3.784 -1.528 0.422 993 HG13 ILE 43 3HG1 ILE 43 -3.002 -2.882 -0.388 994 HG21 ILE 43 1HG2 ILE 43 -3.974 0.589 -2.643 995 HG22 ILE 43 2HG2 ILE 43 -2.686 0.639 -1.438 996 HG23 ILE 43 3HG2 ILE 43 -4.370 0.544 -0.926 997 HD11 ILE 43 3HD1 ILE 43 -1.769 -0.181 0.098 998 HD12 ILE 43 1HD1 ILE 43 -0.986 -1.559 -0.675 999 HD13 ILE 43 2HD1 ILE 43 -1.452 -1.648 1.025 1000 H ARG 44 H ARG 44 -6.613 -0.191 -3.018 1001 HA ARG 44 HA ARG 44 -6.008 -0.955 -5.780 1002 HB2 ARG 44 2HB ARG 44 -8.362 -1.311 -6.311 1003 HB3 ARG 44 3HB ARG 44 -7.833 -2.430 -5.061 1004 HG2 ARG 44 2HG ARG 44 -8.917 -1.122 -3.354 1005 HG3 ARG 44 3HG ARG 44 -9.321 0.133 -4.527 1006 HD2 ARG 44 2HD ARG 44 -10.709 -1.511 -5.750 1007 HD3 ARG 44 3HD ARG 44 -10.364 -2.701 -4.494 1008 HE ARG 44 HE ARG 44 -11.375 -0.654 -3.072 1009 HH11 ARG 44 1HH1 ARG 44 -12.520 -2.296 -5.944 1010 HH12 ARG 44 2HH1 ARG 44 -14.197 -1.974 -5.628 1011 HH21 ARG 44 1HH2 ARG 44 -13.555 -0.203 -2.640 1012 HH22 ARG 44 2HH2 ARG 44 -14.784 -0.789 -3.723 1013 H ALA 45 H ALA 45 -6.460 0.558 -7.320 1014 HA ALA 45 HA ALA 45 -7.950 2.961 -6.488 1015 HB1 ALA 45 3HB ALA 45 -5.645 2.870 -8.439 1016 HB2 ALA 45 1HB ALA 45 -5.606 3.574 -6.821 1017 HB3 ALA 45 2HB ALA 45 -6.631 4.288 -8.070 1018 H TRP 46 H TRP 46 -9.871 2.886 -7.452 1019 HA TRP 46 HA TRP 46 -10.044 1.522 -10.048 1020 HB2 TRP 46 2HB TRP 46 -12.313 0.775 -9.385 1021 HB3 TRP 46 3HB TRP 46 -11.052 0.132 -8.343 1022 HD1 TRP 46 HD1 TRP 46 -10.739 1.802 -5.965 1023 HE1 TRP 46 HE1 TRP 46 -12.657 2.585 -4.423 1024 HE3 TRP 46 HE3 TRP 46 -14.657 1.286 -9.216 1025 HZ2 TRP 46 HZ2 TRP 46 -15.440 2.936 -4.579 1026 HZ3 TRP 46 HZ3 TRP 46 -16.914 1.867 -8.433 1027 HH2 TRP 46 HH2 TRP 46 -17.298 2.674 -6.161 1028 H SER 47 H SER 47 -11.913 2.137 -11.354 1029 HA SER 47 HA SER 47 -11.868 4.943 -11.759 1030 HB2 SER 47 2HB SER 47 -13.695 2.913 -13.047 1031 HB3 SER 47 3HB SER 47 -13.175 4.465 -13.710 1032 HG SER 47 HG SER 47 -10.956 3.351 -13.278 1033 HA PRO 48 HA PRO 48 -15.201 6.577 -9.443 1034 HB2 PRO 48 2HB PRO 48 -16.595 7.923 -11.468 1035 HB3 PRO 48 3HB PRO 48 -15.275 8.579 -10.497 1036 HG2 PRO 48 2HG PRO 48 -15.221 7.399 -13.232 1037 HG3 PRO 48 3HG PRO 48 -14.279 8.746 -12.571 1038 HD2 PRO 48 2HD PRO 48 -13.181 6.335 -12.932 1039 HD3 PRO 48 3HD PRO 48 -12.763 7.328 -11.516 1040 H ASP 49 H ASP 49 -16.569 5.793 -12.645 1041 HA ASP 49 HA ASP 49 -18.531 4.067 -11.305 1042 HB2 ASP 49 2HB ASP 49 -19.669 6.176 -11.682 1043 HB3 ASP 49 3HB ASP 49 -19.144 6.199 -13.363 1044 H HIS 50 H HIS 50 -17.375 5.170 -14.482 1045 HA HIS 50 HA HIS 50 -18.061 2.698 -15.768 1046 HB2 HIS 50 2HB HIS 50 -16.145 4.802 -16.800 1047 HB3 HIS 50 3HB HIS 50 -17.040 3.618 -17.744 1048 HD1 HIS 50 HD1 HIS 50 -17.042 6.988 -17.505 1049 HD2 HIS 50 HD2 HIS 50 -20.061 4.225 -16.769 1050 HE1 HIS 50 HE1 HIS 50 -19.195 8.265 -17.729 1051 HE2 HIS 50 HE2 HIS 50 -20.965 6.640 -16.970 1052 H THR 51 H THR 51 -16.988 0.882 -15.349 1053 HA THR 51 HA THR 51 -14.554 0.815 -13.952 1054 HB THR 51 HB THR 51 -14.579 -1.662 -14.684 1055 HG1 THR 51 HG1 THR 51 -17.244 -1.602 -15.168 1056 HG21 THR 51 3HG2 THR 51 -16.369 -2.156 -13.071 1057 HG22 THR 51 1HG2 THR 51 -16.878 -0.469 -13.132 1058 HG23 THR 51 2HG2 THR 51 -15.292 -0.888 -12.486 1059 H LYS 52 H LYS 52 -12.685 1.468 -14.713 1060 HA LYS 52 HA LYS 52 -11.822 0.514 -17.373 1061 HB2 LYS 52 2HB LYS 52 -10.816 2.882 -15.777 1062 HB3 LYS 52 3HB LYS 52 -10.229 2.388 -17.357 1063 HG2 LYS 52 2HG LYS 52 -12.271 2.981 -18.401 1064 HG3 LYS 52 3HG LYS 52 -13.077 3.186 -16.843 1065 HD2 LYS 52 2HD LYS 52 -11.647 5.083 -16.332 1066 HD3 LYS 52 3HD LYS 52 -10.780 4.860 -17.852 1067 HE2 LYS 52 2HE LYS 52 -13.727 5.447 -17.641 1068 HE3 LYS 52 3HE LYS 52 -12.488 6.671 -17.902 1069 HZ1 LYS 52 3HZ LYS 52 -11.840 5.433 -19.932 1070 HZ2 LYS 52 1HZ LYS 52 -13.411 6.067 -19.996 1071 HZ3 LYS 52 2HZ LYS 52 -13.177 4.416 -19.704 1072 H MET 53 H MET 53 -11.786 -0.469 -14.447 1073 HA MET 53 HA MET 53 -10.565 -1.915 -13.223 1074 HB2 MET 53 2HB MET 53 -8.653 -1.718 -15.540 1075 HB3 MET 53 3HB MET 53 -8.299 -2.680 -14.109 1076 HG2 MET 53 2HG MET 53 -10.678 -3.036 -15.920 1077 HG3 MET 53 3HG MET 53 -9.226 -4.037 -15.912 1078 HE1 MET 53 3HE MET 53 -10.848 -6.188 -15.662 1079 HE2 MET 53 1HE MET 53 -12.257 -5.125 -15.617 1080 HE3 MET 53 2HE MET 53 -12.035 -6.354 -14.369 1081 H GLY 54 H GLY 54 -7.847 -0.013 -14.524 1082 HA2 GLY 54 2HA GLY 54 -6.898 1.864 -13.388 1083 HA3 GLY 54 3HA GLY 54 -7.644 1.300 -11.899 1084 H LYS 55 H LYS 55 -6.104 0.806 -10.502 1085 HA LYS 55 HA LYS 55 -4.098 -1.144 -11.191 1086 HB2 LYS 55 2HB LYS 55 -2.184 0.261 -10.497 1087 HB3 LYS 55 3HB LYS 55 -2.951 0.839 -11.967 1088 HG2 LYS 55 2HG LYS 55 -4.147 2.538 -10.607 1089 HG3 LYS 55 3HG LYS 55 -3.233 1.993 -9.199 1090 HD2 LYS 55 2HD LYS 55 -2.037 3.089 -11.748 1091 HD3 LYS 55 3HD LYS 55 -2.233 3.987 -10.241 1092 HE2 LYS 55 2HE LYS 55 -0.725 2.513 -9.102 1093 HE3 LYS 55 3HE LYS 55 -0.640 1.445 -10.501 1094 HZ1 LYS 55 3HZ LYS 55 1.303 2.907 -10.282 1095 HZ2 LYS 55 1HZ LYS 55 0.300 4.263 -10.471 1096 HZ3 LYS 55 2HZ LYS 55 0.474 3.155 -11.739 1097 H GLY 56 H GLY 56 -2.540 -1.348 -9.170 1098 HA2 GLY 56 2HA GLY 56 -3.123 -0.685 -6.617 1099 HA3 GLY 56 3HA GLY 56 -4.307 -1.939 -6.973 1100 H ILE 57 H ILE 57 -3.074 -3.022 -5.171 1101 HA ILE 57 HA ILE 57 -1.201 -4.851 -6.375 1102 HB ILE 57 HB ILE 57 0.293 -3.021 -5.686 1103 HG12 ILE 57 2HG1 ILE 57 0.673 -5.402 -3.871 1104 HG13 ILE 57 3HG1 ILE 57 0.966 -5.457 -5.605 1105 HG21 ILE 57 1HG2 ILE 57 -1.025 -2.144 -3.827 1106 HG22 ILE 57 2HG2 ILE 57 0.633 -2.491 -3.334 1107 HG23 ILE 57 3HG2 ILE 57 -0.669 -3.593 -2.887 1108 HD11 ILE 57 3HD1 ILE 57 3.021 -5.132 -4.357 1109 HD12 ILE 57 1HD1 ILE 57 2.364 -3.655 -3.648 1110 HD13 ILE 57 2HD1 ILE 57 2.665 -3.742 -5.385 1111 H THR 58 H THR 58 -1.214 -6.823 -5.402 1112 HA THR 58 HA THR 58 -3.173 -7.140 -3.249 1113 HB THR 58 HB THR 58 -3.291 -9.505 -4.002 1114 HG1 THR 58 HG1 THR 58 -2.135 -10.179 -5.759 1115 HG21 THR 58 3HG2 THR 58 -4.438 -9.068 -6.128 1116 HG22 THR 58 1HG2 THR 58 -3.706 -7.464 -6.191 1117 HG23 THR 58 2HG2 THR 58 -4.853 -7.860 -4.911 1118 H LEU 59 H LEU 59 -2.513 -7.724 -1.275 1119 HA LEU 59 HA LEU 59 -0.143 -9.389 -0.966 1120 HB2 LEU 59 2HB LEU 59 0.823 -7.984 0.787 1121 HB3 LEU 59 3HB LEU 59 0.793 -7.163 -0.758 1122 HG LEU 59 HG LEU 59 -1.347 -6.677 1.293 1123 HD11 LEU 59 1HD1 LEU 59 -0.054 -4.766 2.085 1124 HD12 LEU 59 2HD1 LEU 59 1.297 -5.243 1.054 1125 HD13 LEU 59 3HD1 LEU 59 0.797 -6.279 2.390 1126 HD21 LEU 59 3HD2 LEU 59 -1.556 -4.563 0.115 1127 HD22 LEU 59 1HD2 LEU 59 -1.722 -5.919 -1.002 1128 HD23 LEU 59 2HD2 LEU 59 -0.217 -5.003 -0.945 1129 H SER 60 H SER 60 0.125 -9.985 1.392 1130 HA SER 60 HA SER 60 -2.490 -10.919 2.277 1131 HB2 SER 60 2HB SER 60 -1.086 -12.352 3.831 1132 HB3 SER 60 3HB SER 60 -0.818 -12.626 2.112 1133 HG SER 60 HG SER 60 1.008 -11.133 2.336 1134 H ASN 61 H ASN 61 -2.870 -10.990 4.725 1135 HA ASN 61 HA ASN 61 -2.752 -8.286 5.660 1136 HB2 ASN 61 2HB ASN 61 -3.980 -9.019 7.604 1137 HB3 ASN 61 3HB ASN 61 -4.672 -9.777 6.177 1138 HD21 ASN 61 1HD2 ASN 61 -2.844 -10.278 9.096 1139 HD22 ASN 61 2HD2 ASN 61 -2.984 -12.002 9.124 1140 H GLU 62 H GLU 62 -0.843 -11.121 6.153 1141 HA GLU 62 HA GLU 62 0.628 -10.373 8.416 1142 HB2 GLU 62 2HB GLU 62 1.420 -11.935 5.952 1143 HB3 GLU 62 3HB GLU 62 2.487 -11.732 7.332 1144 HG2 GLU 62 2HG GLU 62 1.423 -13.869 7.467 1145 HG3 GLU 62 3HG GLU 62 0.802 -12.840 8.753 1146 H GLU 63 H GLU 63 1.276 -9.772 4.983 1147 HA GLU 63 HA GLU 63 3.540 -8.135 5.340 1148 HB2 GLU 63 2HB GLU 63 1.549 -8.161 3.061 1149 HB3 GLU 63 3HB GLU 63 3.161 -7.457 3.008 1150 HG2 GLU 63 2HG GLU 63 4.186 -9.596 3.207 1151 HG3 GLU 63 3HG GLU 63 2.638 -10.365 3.554 1152 H PHE 64 H PHE 64 0.117 -7.485 5.252 1153 HA PHE 64 HA PHE 64 0.129 -4.700 5.104 1154 HB2 PHE 64 2HB PHE 64 -1.877 -6.096 4.859 1155 HB3 PHE 64 3HB PHE 64 -1.793 -6.526 6.562 1156 HD1 PHE 64 HD1 PHE 64 -1.110 -3.138 5.316 1157 HD2 PHE 64 HD2 PHE 64 -3.971 -5.734 7.098 1158 HE1 PHE 64 HE1 PHE 64 -2.546 -1.205 5.807 1159 HE2 PHE 64 HE2 PHE 64 -5.408 -3.805 7.607 1160 HZ PHE 64 HZ PHE 64 -4.698 -1.540 6.967 1161 H GLN 65 H GLN 65 -0.218 -6.698 8.045 1162 HA GLN 65 HA GLN 65 0.062 -4.649 9.913 1163 HB2 GLN 65 2HB GLN 65 -0.199 -7.446 9.951 1164 HB3 GLN 65 3HB GLN 65 1.265 -7.099 10.856 1165 HG2 GLN 65 2HG GLN 65 -1.310 -5.678 11.426 1166 HG3 GLN 65 3HG GLN 65 -0.935 -7.245 12.135 1167 HE21 GLN 65 1HE2 GLN 65 -0.180 -3.858 12.104 1168 HE22 GLN 65 2HE2 GLN 65 0.797 -3.857 13.533 1169 H THR 66 H THR 66 2.468 -6.439 8.126 1170 HA THR 66 HA THR 66 4.760 -5.760 9.577 1171 HB THR 66 HB THR 66 4.469 -6.258 6.606 1172 HG1 THR 66 HG1 THR 66 3.834 -8.055 7.819 1173 HG21 THR 66 3HG2 THR 66 6.581 -5.121 7.118 1174 HG22 THR 66 1HG2 THR 66 6.859 -6.797 6.644 1175 HG23 THR 66 2HG2 THR 66 6.942 -6.338 8.344 1176 H MET 67 H MET 67 3.274 -4.095 6.767 1177 HA MET 67 HA MET 67 5.211 -2.012 6.738 1178 HB2 MET 67 2HB MET 67 3.950 -0.983 5.049 1179 HB3 MET 67 3HB MET 67 3.621 -2.694 4.825 1180 HG2 MET 67 2HG MET 67 1.477 -2.473 5.876 1181 HG3 MET 67 3HG MET 67 1.820 -0.800 6.311 1182 HE1 MET 67 3HE MET 67 -0.239 0.339 5.253 1183 HE2 MET 67 1HE MET 67 -0.856 -1.297 5.040 1184 HE3 MET 67 2HE MET 67 -0.925 -0.146 3.704 1185 H VAL 68 H VAL 68 2.100 -2.422 8.276 1186 HA VAL 68 HA VAL 68 1.649 0.235 9.056 1187 HB VAL 68 HB VAL 68 0.697 -2.366 10.262 1188 HG11 VAL 68 1HG1 VAL 68 -1.064 -1.047 11.351 1189 HG12 VAL 68 2HG1 VAL 68 -0.303 0.437 10.776 1190 HG13 VAL 68 3HG1 VAL 68 0.539 -0.589 11.935 1191 HG21 VAL 68 3HG2 VAL 68 -1.226 -2.083 8.934 1192 HG22 VAL 68 1HG2 VAL 68 0.134 -1.746 7.871 1193 HG23 VAL 68 2HG2 VAL 68 -0.810 -0.416 8.544 1194 H ASP 69 H ASP 69 3.158 -2.473 10.799 1195 HA ASP 69 HA ASP 69 3.807 -1.137 13.149 1196 HB2 ASP 69 2HB ASP 69 4.066 -3.524 12.997 1197 HB3 ASP 69 3HB ASP 69 5.247 -3.369 11.702 1198 H ALA 70 H ALA 70 5.744 -1.461 10.176 1199 HA ALA 70 HA ALA 70 7.984 -0.041 11.099 1200 HB1 ALA 70 3HB ALA 70 8.028 -1.500 9.149 1201 HB2 ALA 70 1HB ALA 70 8.638 0.111 8.764 1202 HB3 ALA 70 2HB ALA 70 7.011 -0.358 8.269 1203 H PHE 71 H PHE 71 5.147 1.079 9.265 1204 HA PHE 71 HA PHE 71 6.116 3.762 9.060 1205 HB2 PHE 71 2HB PHE 71 3.359 2.614 8.611 1206 HB3 PHE 71 3HB PHE 71 3.816 4.276 8.249 1207 HD1 PHE 71 HD2 PHE 71 6.554 3.797 7.165 1208 HD2 PHE 71 HD1 PHE 71 2.874 1.767 6.484 1209 HE1 PHE 71 HE2 PHE 71 7.363 3.076 4.955 1210 HE2 PHE 71 HE1 PHE 71 3.680 1.045 4.276 1211 HZ PHE 71 HZ PHE 71 5.923 1.699 3.508 1212 H LYS 72 H LYS 72 4.186 2.008 11.346 1213 HA LYS 72 HA LYS 72 3.169 4.145 12.856 1214 HB2 LYS 72 2HB LYS 72 2.363 1.946 13.262 1215 HB3 LYS 72 3HB LYS 72 3.981 1.329 13.536 1216 HG2 LYS 72 2HG LYS 72 4.079 2.699 15.617 1217 HG3 LYS 72 3HG LYS 72 2.379 3.109 15.354 1218 HD2 LYS 72 2HD LYS 72 2.784 1.169 16.915 1219 HD3 LYS 72 3HD LYS 72 1.715 0.833 15.550 1220 HE2 LYS 72 2HE LYS 72 3.529 -0.210 14.343 1221 HE3 LYS 72 3HE LYS 72 4.660 0.195 15.633 1222 HZ1 LYS 72 3HZ LYS 72 3.302 -1.233 17.116 1223 HZ2 LYS 72 1HZ LYS 72 4.034 -2.080 15.839 1224 HZ3 LYS 72 2HZ LYS 72 2.380 -1.708 15.771 1225 H GLY 73 H GLY 73 6.321 2.633 12.713 1226 HA2 GLY 73 2HA GLY 73 7.334 4.212 14.935 1227 HA3 GLY 73 3HA GLY 73 8.246 3.063 13.970 1228 H ASN 74 H ASN 74 6.668 4.958 11.801 1229 HA ASN 74 HA ASN 74 8.845 6.940 11.690 1230 HB2 ASN 74 2HB ASN 74 7.849 5.108 9.541 1231 HB3 ASN 74 3HB ASN 74 8.446 6.703 9.095 1232 HD21 ASN 74 1HD2 ASN 74 10.199 5.903 7.994 1233 HD22 ASN 74 2HD2 ASN 74 11.557 5.184 8.788 1234 H LEU 75 H LEU 75 8.196 8.576 9.793 1235 HA LEU 75 HA LEU 75 6.922 10.408 9.344 1236 HB2 LEU 75 2HB LEU 75 4.932 8.168 9.057 1237 HB3 LEU 75 3HB LEU 75 4.529 9.827 8.668 1238 HG LEU 75 HG LEU 75 6.594 9.701 7.090 1239 HD11 LEU 75 1HD1 LEU 75 7.430 7.558 7.893 1240 HD12 LEU 75 2HD1 LEU 75 7.009 7.481 6.181 1241 HD13 LEU 75 3HD1 LEU 75 5.930 6.780 7.388 1242 HD21 LEU 75 3HD2 LEU 75 4.297 9.977 6.347 1243 HD22 LEU 75 1HD2 LEU 75 4.028 8.241 6.495 1244 HD23 LEU 75 2HD2 LEU 75 5.161 8.856 5.293 1245 H GLU 76 H GLU 76 4.015 10.551 9.833 1246 HA GLU 76 HA GLU 76 2.433 10.992 11.389 1247 HB2 GLU 76 2HB GLU 76 4.180 9.193 12.777 1248 HB3 GLU 76 3HB GLU 76 3.642 10.446 13.886 1249 HG2 GLU 76 2HG GLU 76 1.616 9.118 12.167 1250 HG3 GLU 76 3HG GLU 76 2.275 8.226 13.537 1251 H HIS 77 H HIS 77 2.283 12.243 13.639 1252 HA HIS 77 HA HIS 77 2.891 14.846 12.983 1253 HB2 HIS 77 2HB HIS 77 2.244 15.450 15.275 1254 HB3 HIS 77 3HB HIS 77 1.134 14.287 14.565 1255 HD1 HIS 77 HD1 HIS 77 1.289 11.807 15.492 1256 HD2 HIS 77 HD2 HIS 77 3.433 14.659 17.635 1257 HE1 HIS 77 HE1 HIS 77 1.806 10.748 17.715 1258 HE2 HIS 77 HE2 HIS 77 2.903 12.567 19.066 1259 H HIS 78 H HIS 78 4.707 15.828 12.785 1260 HA HIS 78 HA HIS 78 6.763 15.502 14.867 1261 HB2 HIS 78 2HB HIS 78 7.083 16.123 11.920 1262 HB3 HIS 78 3HB HIS 78 8.364 16.389 13.098 1263 HD1 HIS 78 HD1 HIS 78 7.332 13.979 10.712 1264 HD2 HIS 78 HD2 HIS 78 8.857 13.760 14.583 1265 HE1 HIS 78 HE1 HIS 78 8.318 11.677 10.927 1266 HE2 HIS 78 HE2 HIS 78 9.305 11.583 13.243 1267 H HIS 79 H HIS 79 7.168 17.334 16.022 1268 HA HIS 79 HA HIS 79 5.279 19.454 15.544 1269 HB2 HIS 79 2HB HIS 79 5.875 18.401 17.817 1270 HB3 HIS 79 3HB HIS 79 7.287 19.454 17.778 1271 HD1 HIS 79 HD1 HIS 79 6.096 20.500 19.972 1272 HD2 HIS 79 HD2 HIS 79 4.224 21.192 16.327 1273 HE1 HIS 79 HE1 HIS 79 4.511 22.416 20.374 1274 HE2 HIS 79 HE2 HIS 79 3.560 22.953 18.100 1275 H HIS 80 H HIS 80 8.058 19.019 14.060 1276 HA HIS 80 HA HIS 80 8.982 21.761 14.126 1277 HB2 HIS 80 2HB HIS 80 9.556 19.481 12.219 1278 HB3 HIS 80 3HB HIS 80 10.221 21.097 12.017 1279 HD1 HIS 80 HD1 HIS 80 11.881 21.915 13.975 1280 HD2 HIS 80 HD2 HIS 80 10.937 17.863 13.942 1281 HE1 HIS 80 HE1 HIS 80 13.616 20.799 15.415 1282 HE2 HIS 80 HE2 HIS 80 12.912 18.381 15.522 1283 H HIS 81 H HIS 81 6.309 20.211 13.060 1284 HA HIS 81 HA HIS 81 5.800 21.908 10.738 1285 HB2 HIS 81 2HB HIS 81 5.213 19.491 10.657 1286 HB3 HIS 81 3HB HIS 81 4.116 19.728 12.008 1287 HD1 HIS 81 HD1 HIS 81 1.853 20.900 11.507 1288 HD2 HIS 81 HD2 HIS 81 4.275 20.328 8.178 1289 HE1 HIS 81 HE1 HIS 81 0.376 21.316 9.519 1290 HE2 HIS 81 HE2 HIS 81 1.806 20.752 7.521 1291 H HIS 82 H HIS 82 4.138 23.432 10.697 1292 HA HIS 82 HA HIS 82 2.739 23.947 13.229 1293 HB2 HIS 82 2HB HIS 82 4.677 25.513 13.024 1294 HB3 HIS 82 3HB HIS 82 3.994 26.108 11.515 1295 HD1 HIS 82 HD1 HIS 82 2.303 27.947 11.675 1296 HD2 HIS 82 HD2 HIS 82 3.039 26.136 15.349 1297 HE1 HIS 82 HE1 HIS 82 1.108 29.354 13.380 1298 HE2 HIS 82 HE2 HIS 82 1.739 28.365 15.605 Start of MODEL 17 1 H1 MET 1 1H MET 1 21.455 18.237 -20.857 2 H2 MET 1 2H MET 1 23.123 18.248 -21.162 3 H3 MET 1 3H MET 1 22.028 18.074 -22.447 4 HA MET 1 HA MET 1 22.411 20.468 -20.743 5 HB2 MET 1 2HB MET 1 22.854 20.053 -23.710 6 HB3 MET 1 3HB MET 1 23.098 21.555 -22.831 7 HG2 MET 1 2HG MET 1 24.646 19.001 -22.470 8 HG3 MET 1 3HG MET 1 25.210 20.469 -23.266 9 HE1 MET 1 3HE MET 1 26.849 19.007 -20.967 10 HE2 MET 1 1HE MET 1 27.360 20.389 -19.998 11 HE3 MET 1 2HE MET 1 27.388 20.489 -21.758 12 H LYS 2 H LYS 2 20.817 19.344 -23.738 13 HA LYS 2 HA LYS 2 18.765 21.354 -23.467 14 HB2 LYS 2 2HB LYS 2 19.117 19.094 -25.439 15 HB3 LYS 2 3HB LYS 2 17.819 20.281 -25.516 16 HG2 LYS 2 2HG LYS 2 19.407 22.062 -25.816 17 HG3 LYS 2 3HG LYS 2 20.752 20.939 -25.612 18 HD2 LYS 2 2HD LYS 2 20.042 19.740 -27.627 19 HD3 LYS 2 3HD LYS 2 18.711 20.883 -27.832 20 HE2 LYS 2 2HE LYS 2 20.644 21.414 -29.265 21 HE3 LYS 2 3HE LYS 2 20.271 22.707 -28.123 22 HZ1 LYS 2 3HZ LYS 2 22.383 20.655 -27.701 23 HZ2 LYS 2 1HZ LYS 2 22.084 22.019 -26.736 24 HZ3 LYS 2 2HZ LYS 2 22.669 22.209 -28.315 25 H LYS 3 H LYS 3 16.514 20.892 -23.322 26 HA LYS 3 HA LYS 3 15.971 19.151 -21.158 27 HB2 LYS 3 2HB LYS 3 14.099 20.691 -22.956 28 HB3 LYS 3 3HB LYS 3 13.627 19.889 -21.463 29 HG2 LYS 3 2HG LYS 3 15.596 22.150 -21.710 30 HG3 LYS 3 3HG LYS 3 13.938 22.269 -21.118 31 HD2 LYS 3 2HD LYS 3 14.512 20.714 -19.292 32 HD3 LYS 3 3HD LYS 3 16.181 20.691 -19.866 33 HE2 LYS 3 2HE LYS 3 15.943 22.227 -18.000 34 HE3 LYS 3 3HE LYS 3 16.341 23.104 -19.476 35 HZ1 LYS 3 3HZ LYS 3 13.536 22.783 -18.602 36 HZ2 LYS 3 1HZ LYS 3 14.192 23.943 -19.649 37 HZ3 LYS 3 2HZ LYS 3 14.508 24.027 -17.982 38 H MET 4 H MET 4 15.589 17.100 -21.190 39 HA MET 4 HA MET 4 13.740 15.847 -22.926 40 HB2 MET 4 2HB MET 4 16.451 15.901 -23.839 41 HB3 MET 4 3HB MET 4 16.046 14.251 -23.382 42 HG2 MET 4 2HG MET 4 14.569 15.990 -25.338 43 HG3 MET 4 3HG MET 4 15.579 14.594 -25.715 44 HE1 MET 4 3HE MET 4 13.468 11.646 -24.204 45 HE2 MET 4 1HE MET 4 14.746 12.549 -23.389 46 HE3 MET 4 2HE MET 4 14.932 12.087 -25.082 47 H ALA 5 H ALA 5 12.830 14.283 -21.759 48 HA ALA 5 HA ALA 5 14.032 13.483 -19.270 49 HB1 ALA 5 3HB ALA 5 11.450 12.585 -20.542 50 HB2 ALA 5 1HB ALA 5 11.630 13.914 -19.398 51 HB3 ALA 5 2HB ALA 5 11.959 12.260 -18.886 52 H GLU 6 H GLU 6 15.905 12.475 -20.245 53 HA GLU 6 HA GLU 6 15.339 9.659 -20.855 54 HB2 GLU 6 2HB GLU 6 17.225 9.613 -22.424 55 HB3 GLU 6 3HB GLU 6 15.954 10.703 -22.952 56 HG2 GLU 6 2HG GLU 6 17.225 12.613 -22.331 57 HG3 GLU 6 3HG GLU 6 18.434 11.614 -21.522 58 H PHE 7 H PHE 7 16.103 11.170 -18.432 59 HA PHE 7 HA PHE 7 18.787 10.312 -17.825 60 HB2 PHE 7 2HB PHE 7 17.492 12.347 -16.859 61 HB3 PHE 7 3HB PHE 7 16.743 11.172 -15.784 62 HD1 PHE 7 HD2 PHE 7 20.177 12.028 -16.988 63 HD2 PHE 7 HD1 PHE 7 17.674 10.990 -13.705 64 HE1 PHE 7 HE2 PHE 7 22.101 12.224 -15.464 65 HE2 PHE 7 HE1 PHE 7 19.594 11.184 -12.179 66 HZ PHE 7 HZ PHE 7 21.809 11.800 -13.056 67 H THR 8 H THR 8 17.739 9.468 -15.022 68 HA THR 8 HA THR 8 16.719 6.834 -15.804 69 HB THR 8 HB THR 8 19.172 6.689 -15.382 70 HG1 THR 8 HG1 THR 8 18.715 5.058 -13.480 71 HG21 THR 8 3HG2 THR 8 19.982 6.865 -13.060 72 HG22 THR 8 1HG2 THR 8 18.396 7.453 -12.562 73 HG23 THR 8 2HG2 THR 8 19.385 8.411 -13.664 74 H PHE 9 H PHE 9 15.679 5.660 -14.071 75 HA PHE 9 HA PHE 9 14.620 7.406 -11.960 76 HB2 PHE 9 2HB PHE 9 12.745 5.804 -11.773 77 HB3 PHE 9 3HB PHE 9 12.851 6.510 -13.380 78 HD1 PHE 9 HD2 PHE 9 13.860 5.131 -15.240 79 HD2 PHE 9 HD1 PHE 9 12.798 3.481 -11.461 80 HE1 PHE 9 HE2 PHE 9 13.853 2.880 -16.229 81 HE2 PHE 9 HE1 PHE 9 12.791 1.228 -12.446 82 HZ PHE 9 HZ PHE 9 13.317 0.924 -14.832 83 H GLU 10 H GLU 10 15.175 6.966 -9.907 84 HA GLU 10 HA GLU 10 16.620 4.445 -9.441 85 HB2 GLU 10 2HB GLU 10 17.794 6.956 -9.647 86 HB3 GLU 10 3HB GLU 10 17.683 6.680 -7.914 87 HG2 GLU 10 2HG GLU 10 18.956 4.807 -9.895 88 HG3 GLU 10 3HG GLU 10 19.821 5.944 -8.864 89 H ILE 11 H ILE 11 16.295 3.467 -7.548 90 HA ILE 11 HA ILE 11 14.322 4.591 -5.727 91 HB ILE 11 HB ILE 11 15.727 1.900 -5.691 92 HG12 ILE 11 2HG1 ILE 11 13.312 1.107 -6.102 93 HG13 ILE 11 3HG1 ILE 11 12.966 2.773 -6.546 94 HG21 ILE 11 1HG2 ILE 11 15.185 2.628 -3.426 95 HG22 ILE 11 2HG2 ILE 11 14.165 1.275 -3.914 96 HG23 ILE 11 3HG2 ILE 11 13.514 2.913 -3.908 97 HD11 ILE 11 3HD1 ILE 11 14.617 2.640 -8.336 98 HD12 ILE 11 1HD1 ILE 11 13.378 1.397 -8.503 99 HD13 ILE 11 2HD1 ILE 11 14.973 0.972 -7.882 100 H GLU 12 H GLU 12 15.262 6.190 -4.580 101 HA GLU 12 HA GLU 12 17.986 5.896 -3.626 102 HB2 GLU 12 2HB GLU 12 17.679 8.239 -2.827 103 HB3 GLU 12 3HB GLU 12 17.405 8.035 -4.552 104 HG2 GLU 12 2HG GLU 12 15.034 8.145 -4.262 105 HG3 GLU 12 3HG GLU 12 15.201 8.113 -2.507 106 H GLU 13 H GLU 13 14.744 5.725 -2.390 107 HA GLU 13 HA GLU 13 15.853 5.415 0.313 108 HB2 GLU 13 2HB GLU 13 14.682 7.577 0.065 109 HB3 GLU 13 3HB GLU 13 13.222 6.715 -0.399 110 HG2 GLU 13 2HG GLU 13 13.160 7.412 1.934 111 HG3 GLU 13 3HG GLU 13 13.116 5.655 1.774 112 H HIS 14 H HIS 14 15.068 3.813 1.554 113 HA HIS 14 HA HIS 14 13.004 2.090 0.363 114 HB2 HIS 14 2HB HIS 14 14.092 0.151 1.391 115 HB3 HIS 14 3HB HIS 14 15.205 0.982 0.314 116 HD1 HIS 14 HD1 HIS 14 17.131 2.397 1.497 117 HD2 HIS 14 HD2 HIS 14 14.939 -0.107 3.994 118 HE1 HIS 14 HE1 HIS 14 18.482 2.191 3.608 119 HE2 HIS 14 HE2 HIS 14 17.247 0.486 5.000 120 H LEU 15 H LEU 15 11.208 2.011 1.514 121 HA LEU 15 HA LEU 15 11.153 3.125 4.174 122 HB2 LEU 15 2HB LEU 15 8.939 1.835 2.571 123 HB3 LEU 15 3HB LEU 15 8.738 2.796 4.025 124 HG LEU 15 HG LEU 15 9.907 3.881 1.464 125 HD11 LEU 15 1HD1 LEU 15 7.745 4.933 1.097 126 HD12 LEU 15 2HD1 LEU 15 7.092 4.093 2.504 127 HD13 LEU 15 3HD1 LEU 15 7.612 3.175 1.095 128 HD21 LEU 15 3HD2 LEU 15 10.547 5.112 3.464 129 HD22 LEU 15 1HD2 LEU 15 8.853 5.236 3.943 130 HD23 LEU 15 2HD2 LEU 15 9.419 6.051 2.485 131 H LEU 16 H LEU 16 10.135 0.028 2.741 132 HA LEU 16 HA LEU 16 11.672 -1.510 4.532 133 HB2 LEU 16 2HB LEU 16 10.021 -2.547 5.896 134 HB3 LEU 16 3HB LEU 16 9.848 -0.816 6.100 135 HG LEU 16 HG LEU 16 8.115 -2.120 4.062 136 HD11 LEU 16 1HD1 LEU 16 7.979 -3.684 5.927 137 HD12 LEU 16 2HD1 LEU 16 6.487 -2.753 5.781 138 HD13 LEU 16 3HD1 LEU 16 7.659 -2.351 7.036 139 HD21 LEU 16 3HD2 LEU 16 6.526 -0.464 4.873 140 HD22 LEU 16 1HD2 LEU 16 8.059 0.298 4.447 141 HD23 LEU 16 2HD2 LEU 16 7.654 0.016 6.140 142 H THR 17 H THR 17 11.617 -3.721 4.022 143 HA THR 17 HA THR 17 10.102 -4.418 1.616 144 HB THR 17 HB THR 17 12.273 -6.001 3.021 145 HG1 THR 17 HG1 THR 17 12.583 -4.575 0.572 146 HG21 THR 17 3HG2 THR 17 11.060 -6.291 0.267 147 HG22 THR 17 1HG2 THR 17 10.780 -7.368 1.636 148 HG23 THR 17 2HG2 THR 17 12.387 -7.254 0.916 149 H LEU 18 H LEU 18 8.181 -5.312 1.946 150 HA LEU 18 HA LEU 18 7.220 -5.989 4.501 151 HB2 LEU 18 2HB LEU 18 6.044 -6.795 1.840 152 HB3 LEU 18 3HB LEU 18 5.196 -6.681 3.371 153 HG LEU 18 HG LEU 18 6.436 -4.320 1.953 154 HD11 LEU 18 1HD1 LEU 18 4.573 -5.358 0.672 155 HD12 LEU 18 2HD1 LEU 18 4.246 -3.714 1.215 156 HD13 LEU 18 3HD1 LEU 18 3.525 -5.081 2.063 157 HD21 LEU 18 3HD2 LEU 18 4.520 -4.510 4.269 158 HD22 LEU 18 1HD2 LEU 18 5.050 -3.017 3.493 159 HD23 LEU 18 2HD2 LEU 18 6.213 -4.026 4.352 160 H SER 19 H SER 19 7.387 -8.175 1.699 161 HA SER 19 HA SER 19 8.897 -10.170 3.000 162 HB2 SER 19 2HB SER 19 7.086 -11.889 3.220 163 HB3 SER 19 3HB SER 19 6.933 -10.553 4.360 164 HG SER 19 HG SER 19 5.061 -10.150 3.531 165 H GLU 20 H GLU 20 8.528 -12.372 1.711 166 HA GLU 20 HA GLU 20 8.651 -11.600 -1.102 167 HB2 GLU 20 2HB GLU 20 10.541 -12.873 -0.186 168 HB3 GLU 20 3HB GLU 20 9.453 -14.179 0.266 169 HG2 GLU 20 2HG GLU 20 8.875 -14.427 -2.145 170 HG3 GLU 20 3HG GLU 20 10.143 -13.257 -2.506 171 H ASN 21 H ASN 21 7.166 -12.157 -2.545 172 HA ASN 21 HA ASN 21 5.139 -14.155 -1.776 173 HB2 ASN 21 2HB ASN 21 4.881 -11.507 -3.100 174 HB3 ASN 21 3HB ASN 21 3.839 -12.797 -3.686 175 HD21 ASN 21 1HD2 ASN 21 4.885 -12.672 -0.371 176 HD22 ASN 21 2HD2 ASN 21 3.348 -12.253 0.302 177 H GLU 22 H GLU 22 4.348 -15.526 -3.388 178 HA GLU 22 HA GLU 22 4.365 -16.831 -5.238 179 HB2 GLU 22 2HB GLU 22 5.712 -14.447 -6.519 180 HB3 GLU 22 3HB GLU 22 5.035 -15.817 -7.387 181 HG2 GLU 22 2HG GLU 22 3.499 -13.889 -5.659 182 HG3 GLU 22 3HG GLU 22 3.529 -13.911 -7.422 183 H LYS 23 H LYS 23 6.901 -16.399 -3.453 184 HA LYS 23 HA LYS 23 8.975 -17.273 -3.233 185 HB2 LYS 23 2HB LYS 23 8.096 -19.157 -5.427 186 HB3 LYS 23 3HB LYS 23 9.432 -19.413 -4.310 187 HG2 LYS 23 2HG LYS 23 7.950 -19.623 -2.462 188 HG3 LYS 23 3HG LYS 23 6.574 -19.088 -3.430 189 HD2 LYS 23 2HD LYS 23 7.009 -21.121 -4.892 190 HD3 LYS 23 3HD LYS 23 8.095 -21.677 -3.614 191 HE2 LYS 23 2HE LYS 23 5.836 -22.633 -3.411 192 HE3 LYS 23 3HE LYS 23 6.283 -21.655 -2.014 193 HZ1 LYS 23 3HZ LYS 23 4.674 -20.601 -4.274 194 HZ2 LYS 23 1HZ LYS 23 4.915 -19.896 -2.750 195 HZ3 LYS 23 2HZ LYS 23 3.980 -21.303 -2.892 196 H GLY 24 H GLY 24 9.792 -15.271 -4.043 197 HA2 GLY 24 2HA GLY 24 11.927 -15.150 -5.495 198 HA3 GLY 24 3HA GLY 24 10.771 -15.338 -6.806 199 H TRP 25 H TRP 25 8.684 -13.752 -5.865 200 HA TRP 25 HA TRP 25 9.821 -11.168 -6.556 201 HB2 TRP 25 2HB TRP 25 6.986 -12.175 -6.301 202 HB3 TRP 25 3HB TRP 25 7.371 -10.490 -6.624 203 HD1 TRP 25 HD1 TRP 25 8.275 -13.917 -8.233 204 HE1 TRP 25 HE1 TRP 25 8.218 -13.628 -10.792 205 HE3 TRP 25 HE3 TRP 25 7.127 -8.946 -8.444 206 HZ2 TRP 25 HZ2 TRP 25 7.740 -11.554 -12.647 207 HZ3 TRP 25 HZ3 TRP 25 6.888 -7.883 -10.650 208 HH2 TRP 25 HH2 TRP 25 7.189 -9.163 -12.711 209 H THR 26 H THR 26 10.344 -9.685 -5.053 210 HA THR 26 HA THR 26 9.371 -10.083 -2.343 211 HB THR 26 HB THR 26 10.845 -8.080 -1.830 212 HG1 THR 26 HG1 THR 26 11.547 -7.016 -3.509 213 HG21 THR 26 3HG2 THR 26 11.586 -10.377 -1.443 214 HG22 THR 26 1HG2 THR 26 12.923 -9.364 -1.984 215 HG23 THR 26 2HG2 THR 26 12.153 -10.480 -3.111 216 H LYS 27 H LYS 27 7.896 -8.822 -1.336 217 HA LYS 27 HA LYS 27 6.653 -6.705 -2.958 218 HB2 LYS 27 2HB LYS 27 5.226 -8.636 -2.184 219 HB3 LYS 27 3HB LYS 27 5.521 -8.115 -0.531 220 HG2 LYS 27 2HG LYS 27 4.449 -5.974 -1.016 221 HG3 LYS 27 3HG LYS 27 4.141 -6.507 -2.669 222 HD2 LYS 27 2HD LYS 27 3.089 -7.842 -0.177 223 HD3 LYS 27 3HD LYS 27 2.168 -6.756 -1.217 224 HE2 LYS 27 2HE LYS 27 2.435 -8.307 -3.083 225 HE3 LYS 27 3HE LYS 27 3.388 -9.381 -2.063 226 HZ1 LYS 27 3HZ LYS 27 0.503 -8.723 -1.788 227 HZ2 LYS 27 1HZ LYS 27 1.391 -9.541 -0.587 228 HZ3 LYS 27 2HZ LYS 27 1.203 -10.231 -2.121 229 H GLU 28 H GLU 28 7.125 -4.673 -2.368 230 HA GLU 28 HA GLU 28 7.592 -4.007 0.396 231 HB2 GLU 28 2HB GLU 28 9.911 -3.209 0.014 232 HB3 GLU 28 3HB GLU 28 9.743 -4.955 -0.114 233 HG2 GLU 28 2HG GLU 28 9.536 -4.545 -2.638 234 HG3 GLU 28 3HG GLU 28 10.188 -2.946 -2.285 235 H ILE 29 H ILE 29 8.401 -1.679 0.565 236 HA ILE 29 HA ILE 29 7.145 -0.051 -1.543 237 HB ILE 29 HB ILE 29 6.917 0.592 1.398 238 HG12 ILE 29 2HG1 ILE 29 4.855 -0.771 -0.355 239 HG13 ILE 29 3HG1 ILE 29 5.788 -1.569 0.904 240 HG21 ILE 29 1HG2 ILE 29 6.676 2.433 -0.232 241 HG22 ILE 29 2HG2 ILE 29 5.191 2.125 0.665 242 HG23 ILE 29 3HG2 ILE 29 5.355 1.555 -0.996 243 HD11 ILE 29 3HD1 ILE 29 3.817 0.666 1.325 244 HD12 ILE 29 1HD1 ILE 29 4.740 -0.154 2.586 245 HD13 ILE 29 2HD1 ILE 29 3.538 -1.045 1.650 246 H ASN 30 H ASN 30 8.299 1.703 -2.144 247 HA ASN 30 HA ASN 30 10.522 2.617 -0.478 248 HB2 ASN 30 2HB ASN 30 12.139 2.395 -2.303 249 HB3 ASN 30 3HB ASN 30 11.453 0.823 -1.904 250 HD21 ASN 30 1HD2 ASN 30 10.085 -0.191 -3.374 251 HD22 ASN 30 2HD2 ASN 30 9.946 0.332 -5.014 252 H ARG 31 H ARG 31 11.706 4.466 -1.904 253 HA ARG 31 HA ARG 31 9.568 6.055 -3.167 254 HB2 ARG 31 2HB ARG 31 11.953 7.053 -1.603 255 HB3 ARG 31 3HB ARG 31 10.864 8.084 -2.517 256 HG2 ARG 31 2HG ARG 31 9.015 7.039 -1.040 257 HG3 ARG 31 3HG ARG 31 10.357 6.576 0.013 258 HD2 ARG 31 2HD ARG 31 9.723 9.376 -0.917 259 HD3 ARG 31 3HD ARG 31 9.361 8.720 0.676 260 HE ARG 31 HE ARG 31 11.837 8.491 0.945 261 HH11 ARG 31 1HH1 ARG 31 10.509 10.814 -1.316 262 HH12 ARG 31 2HH1 ARG 31 11.860 11.903 -1.193 263 HH21 ARG 31 1HH2 ARG 31 13.608 9.937 1.135 264 HH22 ARG 31 2HH2 ARG 31 13.640 11.387 0.165 265 H VAL 32 H VAL 32 9.837 6.481 -5.236 266 HA VAL 32 HA VAL 32 12.461 5.927 -6.437 267 HB VAL 32 HB VAL 32 9.782 6.145 -7.826 268 HG11 VAL 32 1HG1 VAL 32 12.441 5.090 -8.779 269 HG12 VAL 32 2HG1 VAL 32 11.663 6.585 -9.300 270 HG13 VAL 32 3HG1 VAL 32 10.931 5.028 -9.688 271 HG21 VAL 32 3HG2 VAL 32 11.282 3.672 -6.970 272 HG22 VAL 32 1HG2 VAL 32 9.824 3.696 -7.960 273 HG23 VAL 32 2HG2 VAL 32 9.765 4.256 -6.288 274 H SER 33 H SER 33 13.610 7.492 -7.382 275 HA SER 33 HA SER 33 12.405 10.155 -7.659 276 HB2 SER 33 2HB SER 33 14.521 9.965 -6.366 277 HB3 SER 33 3HB SER 33 15.320 9.337 -7.807 278 HG SER 33 HG SER 33 14.448 11.927 -7.227 279 H PHE 34 H PHE 34 11.941 10.944 -9.626 280 HA PHE 34 HA PHE 34 12.723 9.325 -11.944 281 HB2 PHE 34 2HB PHE 34 10.456 11.299 -11.608 282 HB3 PHE 34 3HB PHE 34 10.805 10.406 -13.084 283 HD1 PHE 34 HD2 PHE 34 10.556 7.935 -13.109 284 HD2 PHE 34 HD1 PHE 34 9.265 10.315 -9.826 285 HE1 PHE 34 HE2 PHE 34 9.146 6.079 -12.323 286 HE2 PHE 34 HE1 PHE 34 7.854 8.463 -9.033 287 HZ PHE 34 HZ PHE 34 7.790 6.342 -10.282 288 H ASN 35 H ASN 35 14.599 10.115 -12.697 289 HA ASN 35 HA ASN 35 15.967 11.440 -13.924 290 HB2 ASN 35 2HB ASN 35 13.360 12.858 -14.359 291 HB3 ASN 35 3HB ASN 35 14.857 13.571 -14.947 292 HD21 ASN 35 1HD2 ASN 35 14.264 10.114 -14.819 293 HD22 ASN 35 2HD2 ASN 35 14.199 9.873 -16.534 294 H GLY 36 H GLY 36 15.483 11.922 -10.995 295 HA2 GLY 36 2HA GLY 36 16.759 13.245 -9.542 296 HA3 GLY 36 3HA GLY 36 17.060 14.366 -10.866 297 H ALA 37 H ALA 37 14.567 13.241 -8.637 298 HA ALA 37 HA ALA 37 13.598 15.933 -8.255 299 HB1 ALA 37 3HB ALA 37 11.295 15.448 -8.940 300 HB2 ALA 37 1HB ALA 37 11.789 13.844 -9.481 301 HB3 ALA 37 2HB ALA 37 12.406 15.282 -10.298 302 HA PRO 38 HA PRO 38 12.271 14.495 -4.204 303 HB2 PRO 38 2HB PRO 38 9.493 15.186 -5.067 304 HB3 PRO 38 3HB PRO 38 10.338 15.594 -3.568 305 HG2 PRO 38 2HG PRO 38 10.030 17.407 -5.495 306 HG3 PRO 38 3HG PRO 38 11.530 17.319 -4.553 307 HD2 PRO 38 2HD PRO 38 11.002 16.483 -7.352 308 HD3 PRO 38 3HD PRO 38 12.499 17.082 -6.615 309 H ALA 39 H ALA 39 12.055 12.417 -3.663 310 HA ALA 39 HA ALA 39 11.046 10.566 -5.623 311 HB1 ALA 39 3HB ALA 39 11.902 8.841 -4.146 312 HB2 ALA 39 1HB ALA 39 12.183 10.039 -2.883 313 HB3 ALA 39 2HB ALA 39 13.104 10.108 -4.386 314 H LYS 40 H LYS 40 9.105 9.708 -5.702 315 HA LYS 40 HA LYS 40 7.279 10.134 -3.442 316 HB2 LYS 40 2HB LYS 40 6.651 10.975 -5.713 317 HB3 LYS 40 3HB LYS 40 6.647 9.315 -6.287 318 HG2 LYS 40 2HG LYS 40 4.756 8.762 -5.026 319 HG3 LYS 40 3HG LYS 40 4.908 10.196 -4.008 320 HD2 LYS 40 2HD LYS 40 4.300 10.261 -6.964 321 HD3 LYS 40 3HD LYS 40 3.077 10.347 -5.694 322 HE2 LYS 40 2HE LYS 40 4.076 12.386 -4.839 323 HE3 LYS 40 3HE LYS 40 5.367 12.283 -6.035 324 HZ1 LYS 40 3HZ LYS 40 3.815 12.658 -7.780 325 HZ2 LYS 40 1HZ LYS 40 3.563 13.859 -6.610 326 HZ3 LYS 40 2HZ LYS 40 2.488 12.547 -6.729 327 H PHE 41 H PHE 41 5.940 8.345 -2.703 328 HA PHE 41 HA PHE 41 7.572 5.962 -2.620 329 HB2 PHE 41 2HB PHE 41 6.518 5.410 -0.651 330 HB3 PHE 41 3HB PHE 41 6.339 7.153 -0.635 331 HD1 PHE 41 HD2 PHE 41 4.107 8.029 -1.755 332 HD2 PHE 41 HD1 PHE 41 4.706 4.142 -0.147 333 HE1 PHE 41 HE2 PHE 41 1.679 7.772 -1.494 334 HE2 PHE 41 HE1 PHE 41 2.274 3.868 0.111 335 HZ PHE 41 HZ PHE 41 0.758 5.688 -0.559 336 H ASP 42 H ASP 42 6.947 3.909 -3.158 337 HA ASP 42 HA ASP 42 4.539 3.614 -4.797 338 HB2 ASP 42 2HB ASP 42 6.258 4.176 -6.382 339 HB3 ASP 42 3HB ASP 42 7.381 3.041 -5.650 340 H ILE 43 H ILE 43 3.588 1.646 -4.626 341 HA ILE 43 HA ILE 43 4.909 -0.321 -2.856 342 HB ILE 43 HB ILE 43 1.934 0.034 -3.281 343 HG12 ILE 43 2HG1 ILE 43 3.607 0.972 -0.940 344 HG13 ILE 43 3HG1 ILE 43 2.924 2.021 -2.178 345 HG21 ILE 43 1HG2 ILE 43 2.566 -2.202 -2.581 346 HG22 ILE 43 2HG2 ILE 43 1.731 -1.360 -1.275 347 HG23 ILE 43 3HG2 ILE 43 3.482 -1.536 -1.226 348 HD11 ILE 43 3HD1 ILE 43 0.671 1.331 -1.485 349 HD12 ILE 43 1HD1 ILE 43 1.578 2.085 -0.175 350 HD13 ILE 43 2HD1 ILE 43 1.384 0.333 -0.218 351 H ARG 44 H ARG 44 5.636 -2.034 -4.031 352 HA ARG 44 HA ARG 44 3.811 -3.244 -5.972 353 HB2 ARG 44 2HB ARG 44 6.635 -2.458 -6.699 354 HB3 ARG 44 3HB ARG 44 5.589 -3.470 -7.677 355 HG2 ARG 44 2HG ARG 44 4.023 -1.568 -7.882 356 HG3 ARG 44 3HG ARG 44 5.191 -0.569 -7.013 357 HD2 ARG 44 2HD ARG 44 6.849 -1.448 -8.830 358 HD3 ARG 44 3HD ARG 44 5.370 -1.763 -9.740 359 HE ARG 44 HE ARG 44 5.558 0.896 -8.628 360 HH11 ARG 44 1HH1 ARG 44 6.230 -1.166 -11.377 361 HH12 ARG 44 2HH1 ARG 44 6.450 0.158 -12.483 362 HH21 ARG 44 1HH2 ARG 44 5.817 2.631 -10.073 363 HH22 ARG 44 2HH2 ARG 44 6.207 2.322 -11.737 364 H ALA 45 H ALA 45 4.748 -5.277 -6.877 365 HA ALA 45 HA ALA 45 6.586 -6.613 -5.009 366 HB1 ALA 45 3HB ALA 45 4.762 -7.821 -7.102 367 HB2 ALA 45 1HB ALA 45 4.463 -7.800 -5.364 368 HB3 ALA 45 2HB ALA 45 5.822 -8.716 -6.013 369 H TRP 46 H TRP 46 8.609 -7.057 -5.739 370 HA TRP 46 HA TRP 46 9.178 -6.075 -8.448 371 HB2 TRP 46 2HB TRP 46 10.922 -6.125 -5.976 372 HB3 TRP 46 3HB TRP 46 11.466 -5.600 -7.569 373 HD1 TRP 46 HD1 TRP 46 9.410 -4.468 -4.583 374 HE1 TRP 46 HE1 TRP 46 8.778 -1.990 -4.883 375 HE3 TRP 46 HE3 TRP 46 10.968 -3.811 -9.408 376 HZ2 TRP 46 HZ2 TRP 46 8.929 -0.013 -6.899 377 HZ3 TRP 46 HZ3 TRP 46 10.689 -1.596 -10.449 378 HH2 TRP 46 HH2 TRP 46 9.689 0.261 -9.220 379 H SER 47 H SER 47 10.588 -7.117 -9.764 380 HA SER 47 HA SER 47 10.393 -9.949 -9.642 381 HB2 SER 47 2HB SER 47 11.717 -9.726 -11.829 382 HB3 SER 47 3HB SER 47 10.134 -8.947 -11.769 383 HG SER 47 HG SER 47 11.387 -7.352 -12.517 384 HA PRO 48 HA PRO 48 14.457 -10.854 -7.899 385 HB2 PRO 48 2HB PRO 48 14.452 -13.488 -8.659 386 HB3 PRO 48 3HB PRO 48 13.641 -12.894 -7.205 387 HG2 PRO 48 2HG PRO 48 12.492 -13.535 -9.888 388 HG3 PRO 48 3HG PRO 48 11.835 -13.873 -8.276 389 HD2 PRO 48 2HD PRO 48 10.948 -11.820 -9.793 390 HD3 PRO 48 3HD PRO 48 11.015 -11.731 -8.021 391 H ASP 49 H ASP 49 13.491 -12.397 -10.949 392 HA ASP 49 HA ASP 49 16.001 -11.677 -12.225 393 HB2 ASP 49 2HB ASP 49 14.613 -13.856 -12.609 394 HB3 ASP 49 3HB ASP 49 13.597 -12.840 -13.623 395 H HIS 50 H HIS 50 16.198 -9.624 -12.965 396 HA HIS 50 HA HIS 50 13.783 -8.036 -12.749 397 HB2 HIS 50 2HB HIS 50 16.022 -7.502 -11.618 398 HB3 HIS 50 3HB HIS 50 16.540 -6.926 -13.201 399 HD1 HIS 50 HD1 HIS 50 13.522 -6.349 -10.940 400 HD2 HIS 50 HD2 HIS 50 16.085 -4.274 -13.473 401 HE1 HIS 50 HE1 HIS 50 12.770 -3.949 -10.846 402 HE2 HIS 50 HE2 HIS 50 14.464 -2.687 -12.228 403 H THR 51 H THR 51 14.442 -9.677 -15.245 404 HA THR 51 HA THR 51 14.491 -7.655 -17.292 405 HB THR 51 HB THR 51 13.719 -9.495 -18.796 406 HG1 THR 51 HG1 THR 51 12.636 -10.963 -17.691 407 HG21 THR 51 3HG2 THR 51 16.076 -10.164 -17.033 408 HG22 THR 51 1HG2 THR 51 16.103 -9.119 -18.453 409 HG23 THR 51 2HG2 THR 51 15.766 -10.842 -18.633 410 H LYS 52 H LYS 52 12.218 -9.008 -15.160 411 HA LYS 52 HA LYS 52 9.892 -8.046 -16.643 412 HB2 LYS 52 2HB LYS 52 9.809 -9.242 -13.885 413 HB3 LYS 52 3HB LYS 52 8.598 -9.318 -15.158 414 HG2 LYS 52 2HG LYS 52 9.933 -10.886 -16.407 415 HG3 LYS 52 3HG LYS 52 11.255 -10.732 -15.249 416 HD2 LYS 52 2HD LYS 52 10.252 -12.680 -14.534 417 HD3 LYS 52 3HD LYS 52 9.445 -11.481 -13.521 418 HE2 LYS 52 2HE LYS 52 7.750 -12.917 -14.342 419 HE3 LYS 52 3HE LYS 52 7.620 -11.420 -15.267 420 HZ1 LYS 52 3HZ LYS 52 8.726 -12.437 -17.103 421 HZ2 LYS 52 1HZ LYS 52 7.470 -13.465 -16.627 422 HZ3 LYS 52 2HZ LYS 52 9.073 -13.833 -16.212 423 H MET 53 H MET 53 8.476 -6.443 -15.724 424 HA MET 53 HA MET 53 9.957 -4.359 -14.426 425 HB2 MET 53 2HB MET 53 7.077 -4.538 -15.305 426 HB3 MET 53 3HB MET 53 7.763 -3.112 -14.540 427 HG2 MET 53 2HG MET 53 9.386 -2.927 -16.366 428 HG3 MET 53 3HG MET 53 8.659 -4.335 -17.137 429 HE1 MET 53 3HE MET 53 7.566 -1.309 -19.416 430 HE2 MET 53 1HE MET 53 8.372 -2.878 -19.384 431 HE3 MET 53 2HE MET 53 9.093 -1.499 -18.556 432 H GLY 54 H GLY 54 6.742 -5.623 -13.537 433 HA2 GLY 54 2HA GLY 54 6.504 -6.513 -11.212 434 HA3 GLY 54 3HA GLY 54 7.498 -5.150 -10.715 435 H LYS 55 H LYS 55 4.470 -6.180 -10.586 436 HA LYS 55 HA LYS 55 3.201 -3.699 -11.456 437 HB2 LYS 55 2HB LYS 55 1.062 -4.963 -10.990 438 HB3 LYS 55 3HB LYS 55 2.053 -5.579 -12.304 439 HG2 LYS 55 2HG LYS 55 2.885 -7.353 -10.883 440 HG3 LYS 55 3HG LYS 55 1.989 -6.701 -9.509 441 HD2 LYS 55 2HD LYS 55 -0.107 -7.182 -10.562 442 HD3 LYS 55 3HD LYS 55 0.693 -7.620 -12.074 443 HE2 LYS 55 2HE LYS 55 1.089 -9.074 -9.460 444 HE3 LYS 55 3HE LYS 55 -0.062 -9.567 -10.701 445 HZ1 LYS 55 3HZ LYS 55 2.805 -9.205 -11.321 446 HZ2 LYS 55 1HZ LYS 55 1.641 -10.085 -12.183 447 HZ3 LYS 55 2HZ LYS 55 2.221 -10.668 -10.697 448 H GLY 56 H GLY 56 1.888 -2.466 -10.155 449 HA2 GLY 56 2HA GLY 56 1.193 -2.945 -7.503 450 HA3 GLY 56 3HA GLY 56 2.749 -2.121 -7.484 451 H ILE 57 H ILE 57 1.996 -0.201 -6.600 452 HA ILE 57 HA ILE 57 0.502 1.478 -8.453 453 HB ILE 57 HB ILE 57 -1.250 0.479 -7.086 454 HG12 ILE 57 2HG1 ILE 57 -0.856 3.343 -6.219 455 HG13 ILE 57 3HG1 ILE 57 -1.389 2.881 -7.833 456 HG21 ILE 57 1HG2 ILE 57 -0.004 -0.083 -5.102 457 HG22 ILE 57 2HG2 ILE 57 -1.386 0.924 -4.669 458 HG23 ILE 57 3HG2 ILE 57 0.229 1.627 -4.731 459 HD11 ILE 57 3HD1 ILE 57 -3.256 3.532 -6.411 460 HD12 ILE 57 1HD1 ILE 57 -2.830 2.259 -5.266 461 HD13 ILE 57 2HD1 ILE 57 -3.373 1.832 -6.891 462 H THR 58 H THR 58 1.270 3.494 -8.499 463 HA THR 58 HA THR 58 3.041 4.415 -6.357 464 HB THR 58 HB THR 58 2.400 5.828 -8.959 465 HG1 THR 58 HG1 THR 58 4.301 3.803 -8.337 466 HG21 THR 58 3HG2 THR 58 3.408 7.221 -7.206 467 HG22 THR 58 1HG2 THR 58 4.521 6.975 -8.552 468 HG23 THR 58 2HG2 THR 58 4.734 6.066 -7.054 469 H LEU 59 H LEU 59 2.405 6.007 -4.933 470 HA LEU 59 HA LEU 59 -0.320 7.058 -5.328 471 HB2 LEU 59 2HB LEU 59 0.635 6.313 -2.598 472 HB3 LEU 59 3HB LEU 59 -1.004 6.460 -3.196 473 HG LEU 59 HG LEU 59 -0.364 4.358 -4.628 474 HD11 LEU 59 1HD1 LEU 59 1.192 2.869 -3.397 475 HD12 LEU 59 2HD1 LEU 59 1.622 4.228 -2.352 476 HD13 LEU 59 3HD1 LEU 59 1.988 4.290 -4.075 477 HD21 LEU 59 3HD2 LEU 59 -0.874 4.186 -1.662 478 HD22 LEU 59 1HD2 LEU 59 -1.242 2.948 -2.862 479 HD23 LEU 59 2HD2 LEU 59 -2.096 4.490 -2.898 480 H SER 60 H SER 60 -0.822 8.829 -3.729 481 HA SER 60 HA SER 60 1.257 10.809 -3.844 482 HB2 SER 60 2HB SER 60 -1.014 11.693 -2.354 483 HB3 SER 60 3HB SER 60 -0.532 12.140 -3.992 484 HG SER 60 HG SER 60 -2.675 10.856 -3.378 485 H ASN 61 H ASN 61 2.146 11.913 -2.072 486 HA ASN 61 HA ASN 61 2.901 10.132 0.023 487 HB2 ASN 61 2HB ASN 61 4.359 11.968 0.766 488 HB3 ASN 61 3HB ASN 61 4.516 11.665 -0.959 489 HD21 ASN 61 1HD2 ASN 61 5.088 14.052 0.672 490 HD22 ASN 61 2HD2 ASN 61 4.178 15.338 -0.061 491 H GLU 62 H GLU 62 0.635 12.774 -0.189 492 HA GLU 62 HA GLU 62 0.433 13.269 2.597 493 HB2 GLU 62 2HB GLU 62 -1.496 13.804 0.340 494 HB3 GLU 62 3HB GLU 62 -1.738 14.359 1.993 495 HG2 GLU 62 2HG GLU 62 0.328 15.653 1.860 496 HG3 GLU 62 3HG GLU 62 0.563 15.096 0.201 497 H GLU 63 H GLU 63 -1.660 11.423 0.378 498 HA GLU 63 HA GLU 63 -3.304 10.327 2.374 499 HB2 GLU 63 2HB GLU 63 -2.594 9.212 -0.344 500 HB3 GLU 63 3HB GLU 63 -3.904 8.628 0.670 501 HG2 GLU 63 2HG GLU 63 -5.079 10.007 -0.689 502 HG3 GLU 63 3HG GLU 63 -4.646 11.157 0.572 503 H PHE 64 H PHE 64 -0.152 9.483 1.240 504 HA PHE 64 HA PHE 64 0.137 6.921 2.309 505 HB2 PHE 64 2HB PHE 64 1.773 8.118 0.850 506 HB3 PHE 64 3HB PHE 64 2.209 9.123 2.224 507 HD1 PHE 64 HD1 PHE 64 1.471 5.623 2.855 508 HD2 PHE 64 HD2 PHE 64 4.537 8.418 1.888 509 HE1 PHE 64 HE1 PHE 64 3.179 3.964 3.473 510 HE2 PHE 64 HE2 PHE 64 6.245 6.760 2.507 511 HZ PHE 64 HZ PHE 64 5.563 4.532 3.303 512 H GLN 65 H GLN 65 0.861 10.081 3.788 513 HA GLN 65 HA GLN 65 1.473 9.124 6.356 514 HB2 GLN 65 2HB GLN 65 0.350 11.795 5.489 515 HB3 GLN 65 3HB GLN 65 0.966 11.456 7.099 516 HG2 GLN 65 2HG GLN 65 2.721 10.973 4.743 517 HG3 GLN 65 3HG GLN 65 2.455 12.623 5.300 518 HE21 GLN 65 1HE2 GLN 65 2.467 9.960 7.552 519 HE22 GLN 65 2HE2 GLN 65 3.978 10.345 8.294 520 H THR 66 H THR 66 -1.559 9.912 4.799 521 HA THR 66 HA THR 66 -3.255 9.977 7.007 522 HB THR 66 HB THR 66 -3.842 9.006 4.204 523 HG1 THR 66 HG1 THR 66 -4.168 11.577 5.405 524 HG21 THR 66 3HG2 THR 66 -5.580 8.318 5.796 525 HG22 THR 66 1HG2 THR 66 -6.171 9.556 4.687 526 HG23 THR 66 2HG2 THR 66 -5.739 9.988 6.341 527 H MET 67 H MET 67 -2.440 7.174 4.912 528 HA MET 67 HA MET 67 -4.068 5.430 6.476 529 HB2 MET 67 2HB MET 67 -3.389 3.668 5.033 530 HB3 MET 67 3HB MET 67 -3.593 5.101 4.043 531 HG2 MET 67 2HG MET 67 -1.667 4.222 3.185 532 HG3 MET 67 3HG MET 67 -1.019 5.351 4.371 533 HE1 MET 67 3HE MET 67 1.273 3.880 3.963 534 HE2 MET 67 1HE MET 67 0.426 2.685 2.979 535 HE3 MET 67 2HE MET 67 1.390 2.166 4.360 536 H VAL 68 H VAL 68 -0.633 6.175 6.421 537 HA VAL 68 HA VAL 68 0.301 4.139 8.097 538 HB VAL 68 HB VAL 68 1.271 6.962 7.667 539 HG11 VAL 68 1HG1 VAL 68 2.653 4.774 9.223 540 HG12 VAL 68 2HG1 VAL 68 2.006 6.274 9.895 541 HG13 VAL 68 3HG1 VAL 68 3.363 6.324 8.766 542 HG21 VAL 68 3HG2 VAL 68 2.109 4.248 6.682 543 HG22 VAL 68 1HG2 VAL 68 3.096 5.695 6.484 544 HG23 VAL 68 2HG2 VAL 68 1.499 5.607 5.739 545 H ASP 69 H ASP 69 -1.088 7.301 8.875 546 HA ASP 69 HA ASP 69 -0.787 7.021 11.688 547 HB2 ASP 69 2HB ASP 69 -1.041 9.227 10.751 548 HB3 ASP 69 3HB ASP 69 -2.589 8.795 10.036 549 H ALA 70 H ALA 70 -3.424 6.348 9.432 550 HA ALA 70 HA ALA 70 -5.412 5.801 11.345 551 HB1 ALA 70 3HB ALA 70 -5.891 6.238 8.978 552 HB2 ALA 70 1HB ALA 70 -6.630 4.734 9.534 553 HB3 ALA 70 2HB ALA 70 -5.165 4.686 8.553 554 H PHE 71 H PHE 71 -3.213 3.587 9.610 555 HA PHE 71 HA PHE 71 -4.267 1.263 10.885 556 HB2 PHE 71 2HB PHE 71 -1.728 1.711 9.320 557 HB3 PHE 71 3HB PHE 71 -2.242 0.137 9.921 558 HD1 PHE 71 HD1 PHE 71 -4.979 -0.116 9.389 559 HD2 PHE 71 HD2 PHE 71 -2.047 1.905 7.066 560 HE1 PHE 71 HE1 PHE 71 -6.361 -0.428 7.378 561 HE2 PHE 71 HE2 PHE 71 -3.421 1.596 5.053 562 HZ PHE 71 HZ PHE 71 -5.579 0.426 5.205 563 H LYS 72 H LYS 72 -1.598 3.437 11.577 564 HA LYS 72 HA LYS 72 -0.340 1.936 13.584 565 HB2 LYS 72 2HB LYS 72 0.608 4.010 12.640 566 HB3 LYS 72 3HB LYS 72 -0.665 4.942 13.417 567 HG2 LYS 72 2HG LYS 72 0.171 4.111 15.614 568 HG3 LYS 72 3HG LYS 72 1.530 3.383 14.761 569 HD2 LYS 72 2HD LYS 72 2.310 5.452 15.581 570 HD3 LYS 72 3HD LYS 72 2.020 5.699 13.858 571 HE2 LYS 72 2HE LYS 72 -0.009 6.389 15.966 572 HE3 LYS 72 3HE LYS 72 1.224 7.528 15.430 573 HZ1 LYS 72 3HZ LYS 72 -0.741 6.230 13.627 574 HZ2 LYS 72 1HZ LYS 72 0.356 7.457 13.223 575 HZ3 LYS 72 2HZ LYS 72 -0.931 7.775 14.282 576 H GLY 73 H GLY 73 -3.192 3.970 13.614 577 HA2 GLY 73 2HA GLY 73 -3.665 4.148 16.358 578 HA3 GLY 73 3HA GLY 73 -4.910 4.160 15.118 579 H ASN 74 H ASN 74 -4.780 1.669 14.055 580 HA ASN 74 HA ASN 74 -4.466 -0.438 15.890 581 HB2 ASN 74 2HB ASN 74 -6.415 0.517 17.014 582 HB3 ASN 74 3HB ASN 74 -7.327 0.477 15.507 583 HD21 ASN 74 1HD2 ASN 74 -8.248 -1.403 14.836 584 HD22 ASN 74 2HD2 ASN 74 -8.229 -2.869 15.765 585 H LEU 75 H LEU 75 -3.979 -2.069 14.612 586 HA LEU 75 HA LEU 75 -5.900 -2.764 12.506 587 HB2 LEU 75 2HB LEU 75 -3.912 -2.002 11.324 588 HB3 LEU 75 3HB LEU 75 -2.895 -3.042 12.308 589 HG LEU 75 HG LEU 75 -4.235 -4.996 11.353 590 HD11 LEU 75 1HD1 LEU 75 -6.110 -3.774 10.486 591 HD12 LEU 75 2HD1 LEU 75 -5.267 -4.587 9.167 592 HD13 LEU 75 3HD1 LEU 75 -5.055 -2.857 9.413 593 HD21 LEU 75 3HD2 LEU 75 -2.634 -3.462 9.332 594 HD22 LEU 75 1HD2 LEU 75 -2.834 -5.205 9.457 595 HD23 LEU 75 2HD2 LEU 75 -1.910 -4.333 10.683 596 H GLU 76 H GLU 76 -3.041 -4.067 14.156 597 HA GLU 76 HA GLU 76 -4.325 -6.646 14.417 598 HB2 GLU 76 2HB GLU 76 -1.934 -6.442 13.756 599 HB3 GLU 76 3HB GLU 76 -1.581 -5.743 15.328 600 HG2 GLU 76 2HG GLU 76 -0.977 -8.115 15.195 601 HG3 GLU 76 3HG GLU 76 -2.191 -7.800 16.434 602 H HIS 77 H HIS 77 -2.233 -5.516 16.971 603 HA HIS 77 HA HIS 77 -4.424 -4.901 18.772 604 HB2 HIS 77 2HB HIS 77 -2.599 -7.277 19.223 605 HB3 HIS 77 3HB HIS 77 -3.562 -6.540 20.495 606 HD1 HIS 77 HD1 HIS 77 -6.198 -6.779 20.254 607 HD2 HIS 77 HD2 HIS 77 -3.936 -9.066 17.614 608 HE1 HIS 77 HE1 HIS 77 -7.778 -8.495 19.314 609 HE2 HIS 77 HE2 HIS 77 -6.440 -9.733 17.576 610 H HIS 78 H HIS 78 -3.512 -4.251 20.974 611 HA HIS 78 HA HIS 78 -0.874 -2.975 20.599 612 HB2 HIS 78 2HB HIS 78 -3.059 -2.128 22.519 613 HB3 HIS 78 3HB HIS 78 -1.575 -1.257 22.156 614 HD1 HIS 78 HD1 HIS 78 -4.983 -1.988 20.833 615 HD2 HIS 78 HD2 HIS 78 -1.636 0.250 19.778 616 HE1 HIS 78 HE1 HIS 78 -5.748 -0.449 18.993 617 HE2 HIS 78 HE2 HIS 78 -3.743 0.975 18.450 618 H HIS 79 H HIS 79 0.731 -3.497 22.018 619 HA HIS 79 HA HIS 79 -0.056 -5.125 24.354 620 HB2 HIS 79 2HB HIS 79 1.358 -6.226 22.505 621 HB3 HIS 79 3HB HIS 79 2.671 -5.194 23.066 622 HD1 HIS 79 HD1 HIS 79 1.371 -8.471 23.508 623 HD2 HIS 79 HD2 HIS 79 3.078 -5.643 26.043 624 HE1 HIS 79 HE1 HIS 79 2.125 -9.746 25.545 625 HE2 HIS 79 HE2 HIS 79 3.084 -8.009 27.102 626 H HIS 80 H HIS 80 -0.362 -3.149 25.525 627 HA HIS 80 HA HIS 80 2.149 -1.787 26.249 628 HB2 HIS 80 2HB HIS 80 0.166 -0.425 25.406 629 HB3 HIS 80 3HB HIS 80 -0.658 -0.868 26.897 630 HD1 HIS 80 HD1 HIS 80 0.310 0.141 29.126 631 HD2 HIS 80 HD2 HIS 80 2.054 1.598 25.641 632 HE1 HIS 80 HE1 HIS 80 1.577 2.201 29.811 633 HE2 HIS 80 HE2 HIS 80 2.699 3.022 27.711 634 H HIS 81 H HIS 81 -0.393 -3.832 27.347 635 HA HIS 81 HA HIS 81 0.953 -4.003 29.958 636 HB2 HIS 81 2HB HIS 81 -1.124 -4.340 31.110 637 HB3 HIS 81 3HB HIS 81 -1.299 -2.879 30.147 638 HD1 HIS 81 HD1 HIS 81 -2.485 -6.445 30.356 639 HD2 HIS 81 HD2 HIS 81 -3.274 -2.979 28.188 640 HE1 HIS 81 HE1 HIS 81 -4.593 -6.912 29.067 641 HE2 HIS 81 HE2 HIS 81 -4.997 -4.847 27.685 642 H HIS 82 H HIS 82 0.286 -6.147 31.057 643 HA HIS 82 HA HIS 82 0.590 -8.275 29.084 644 HB2 HIS 82 2HB HIS 82 2.089 -8.132 31.116 645 HB3 HIS 82 3HB HIS 82 0.677 -8.511 32.100 646 HD1 HIS 82 HD1 HIS 82 3.248 -10.041 29.948 647 HD2 HIS 82 HD2 HIS 82 -0.333 -11.166 31.731 648 HE1 HIS 82 HE1 HIS 82 3.179 -12.549 29.796 649 HE2 HIS 82 HE2 HIS 82 0.916 -13.181 30.703 650 H1 MET 1 1H MET 1 -25.756 -13.343 -21.217 651 H2 MET 1 2H MET 1 -26.244 -14.083 -19.774 652 H3 MET 1 3H MET 1 -25.024 -14.788 -20.712 653 HA MET 1 HA MET 1 -23.618 -12.836 -20.333 654 HB2 MET 1 2HB MET 1 -25.414 -11.233 -19.899 655 HB3 MET 1 3HB MET 1 -25.852 -12.095 -18.431 656 HG2 MET 1 2HG MET 1 -23.587 -11.579 -17.538 657 HG3 MET 1 3HG MET 1 -23.310 -10.581 -18.964 658 HE1 MET 1 3HE MET 1 -26.190 -9.331 -19.439 659 HE2 MET 1 1HE MET 1 -24.710 -8.375 -19.521 660 HE3 MET 1 2HE MET 1 -26.069 -7.820 -18.541 661 H LYS 2 H LYS 2 -25.619 -14.628 -18.006 662 HA LYS 2 HA LYS 2 -23.280 -14.896 -16.264 663 HB2 LYS 2 2HB LYS 2 -26.191 -15.513 -15.715 664 HB3 LYS 2 3HB LYS 2 -24.883 -15.588 -14.541 665 HG2 LYS 2 2HG LYS 2 -24.513 -13.191 -14.784 666 HG3 LYS 2 3HG LYS 2 -25.801 -13.108 -15.984 667 HD2 LYS 2 2HD LYS 2 -26.750 -12.367 -13.951 668 HD3 LYS 2 3HD LYS 2 -27.347 -14.006 -14.192 669 HE2 LYS 2 2HE LYS 2 -24.942 -13.389 -12.496 670 HE3 LYS 2 3HE LYS 2 -26.579 -13.388 -11.849 671 HZ1 LYS 2 3HZ LYS 2 -26.803 -15.704 -12.538 672 HZ2 LYS 2 1HZ LYS 2 -25.508 -15.501 -11.464 673 HZ3 LYS 2 2HZ LYS 2 -25.213 -15.702 -13.118 674 H LYS 3 H LYS 3 -22.077 -16.569 -16.896 675 HA LYS 3 HA LYS 3 -23.410 -19.192 -17.034 676 HB2 LYS 3 2HB LYS 3 -21.363 -17.995 -18.826 677 HB3 LYS 3 3HB LYS 3 -21.191 -19.700 -18.444 678 HG2 LYS 3 2HG LYS 3 -23.572 -19.989 -19.229 679 HG3 LYS 3 3HG LYS 3 -23.474 -18.334 -19.842 680 HD2 LYS 3 2HD LYS 3 -21.605 -18.924 -21.253 681 HD3 LYS 3 3HD LYS 3 -21.556 -20.546 -20.567 682 HE2 LYS 3 2HE LYS 3 -23.855 -20.915 -21.463 683 HE3 LYS 3 3HE LYS 3 -23.738 -19.348 -22.267 684 HZ1 LYS 3 3HZ LYS 3 -23.164 -21.246 -23.716 685 HZ2 LYS 3 1HZ LYS 3 -21.853 -21.605 -22.702 686 HZ3 LYS 3 2HZ LYS 3 -21.892 -20.140 -23.556 687 H MET 4 H MET 4 -20.201 -17.700 -16.637 688 HA MET 4 HA MET 4 -19.553 -19.875 -14.762 689 HB2 MET 4 2HB MET 4 -17.683 -18.285 -16.524 690 HB3 MET 4 3HB MET 4 -17.202 -19.553 -15.409 691 HG2 MET 4 2HG MET 4 -18.439 -21.190 -16.708 692 HG3 MET 4 3HG MET 4 -18.980 -19.924 -17.807 693 HE1 MET 4 3HE MET 4 -17.644 -22.532 -18.890 694 HE2 MET 4 1HE MET 4 -16.479 -21.899 -20.055 695 HE3 MET 4 2HE MET 4 -18.089 -21.191 -19.946 696 H ALA 5 H ALA 5 -19.779 -19.091 -12.746 697 HA ALA 5 HA ALA 5 -18.720 -16.475 -12.063 698 HB1 ALA 5 3HB ALA 5 -19.320 -17.085 -9.750 699 HB2 ALA 5 1HB ALA 5 -19.793 -18.689 -10.309 700 HB3 ALA 5 2HB ALA 5 -20.680 -17.266 -10.858 701 H GLU 6 H GLU 6 -16.566 -16.616 -12.621 702 HA GLU 6 HA GLU 6 -14.924 -18.843 -12.158 703 HB2 GLU 6 2HB GLU 6 -14.532 -16.935 -13.794 704 HB3 GLU 6 3HB GLU 6 -13.949 -15.999 -12.422 705 HG2 GLU 6 2HG GLU 6 -12.073 -16.925 -13.553 706 HG3 GLU 6 3HG GLU 6 -12.256 -17.759 -12.008 707 H PHE 7 H PHE 7 -14.351 -15.676 -10.662 708 HA PHE 7 HA PHE 7 -14.041 -17.037 -8.079 709 HB2 PHE 7 2HB PHE 7 -12.205 -14.935 -9.243 710 HB3 PHE 7 3HB PHE 7 -12.178 -15.438 -7.555 711 HD1 PHE 7 HD1 PHE 7 -11.762 -17.917 -7.082 712 HD2 PHE 7 HD2 PHE 7 -10.955 -16.070 -10.825 713 HE1 PHE 7 HE1 PHE 7 -10.230 -19.753 -7.646 714 HE2 PHE 7 HE2 PHE 7 -9.417 -17.906 -11.400 715 HZ PHE 7 HZ PHE 7 -9.056 -19.751 -9.809 716 H THR 8 H THR 8 -15.676 -16.341 -6.908 717 HA THR 8 HA THR 8 -16.959 -13.835 -7.350 718 HB THR 8 HB THR 8 -17.224 -15.510 -4.856 719 HG1 THR 8 HG1 THR 8 -18.106 -17.049 -6.004 720 HG21 THR 8 3HG2 THR 8 -19.172 -13.788 -6.397 721 HG22 THR 8 1HG2 THR 8 -18.399 -13.367 -4.868 722 HG23 THR 8 2HG2 THR 8 -19.548 -14.705 -4.937 723 H PHE 9 H PHE 9 -16.181 -11.927 -6.726 724 HA PHE 9 HA PHE 9 -14.385 -11.859 -4.411 725 HB2 PHE 9 2HB PHE 9 -13.737 -9.581 -5.291 726 HB3 PHE 9 3HB PHE 9 -13.290 -10.943 -6.309 727 HD1 PHE 9 HD2 PHE 9 -14.565 -11.388 -8.391 728 HD2 PHE 9 HD1 PHE 9 -15.199 -7.885 -6.063 729 HE1 PHE 9 HE2 PHE 9 -15.670 -10.318 -10.312 730 HE2 PHE 9 HE1 PHE 9 -16.304 -6.806 -7.979 731 HZ PHE 9 HZ PHE 9 -16.540 -8.024 -10.107 732 H GLU 10 H GLU 10 -15.137 -11.186 -2.585 733 HA GLU 10 HA GLU 10 -17.566 -9.532 -2.549 734 HB2 GLU 10 2HB GLU 10 -16.582 -11.753 -0.896 735 HB3 GLU 10 3HB GLU 10 -17.238 -10.409 0.024 736 HG2 GLU 10 2HG GLU 10 -18.673 -11.844 -2.192 737 HG3 GLU 10 3HG GLU 10 -18.894 -12.154 -0.471 738 H ILE 11 H ILE 11 -17.383 -7.489 -1.964 739 HA ILE 11 HA ILE 11 -14.956 -6.506 -0.740 740 HB ILE 11 HB ILE 11 -17.520 -5.002 -1.318 741 HG12 ILE 11 2HG1 ILE 11 -14.977 -5.173 -2.958 742 HG13 ILE 11 3HG1 ILE 11 -16.484 -5.994 -3.352 743 HG21 ILE 11 1HG2 ILE 11 -14.723 -4.031 -0.723 744 HG22 ILE 11 2HG2 ILE 11 -16.120 -3.907 0.345 745 HG23 ILE 11 3HG2 ILE 11 -16.085 -3.007 -1.170 746 HD11 ILE 11 3HD1 ILE 11 -17.589 -3.821 -3.591 747 HD12 ILE 11 1HD1 ILE 11 -16.216 -3.994 -4.686 748 HD13 ILE 11 2HD1 ILE 11 -16.064 -3.016 -3.226 749 H GLU 12 H GLU 12 -14.755 -7.218 1.281 750 HA GLU 12 HA GLU 12 -16.862 -7.681 3.095 751 HB2 GLU 12 2HB GLU 12 -13.924 -7.213 3.633 752 HB3 GLU 12 3HB GLU 12 -15.073 -7.899 4.774 753 HG2 GLU 12 2HG GLU 12 -14.516 -9.147 2.106 754 HG3 GLU 12 3HG GLU 12 -13.564 -9.507 3.545 755 H GLU 13 H GLU 13 -14.395 -5.132 3.033 756 HA GLU 13 HA GLU 13 -16.157 -3.127 4.020 757 HB2 GLU 13 2HB GLU 13 -15.832 -4.399 6.104 758 HB3 GLU 13 3HB GLU 13 -14.090 -4.274 5.920 759 HG2 GLU 13 2HG GLU 13 -14.932 -2.711 7.578 760 HG3 GLU 13 3HG GLU 13 -14.215 -1.863 6.207 761 H HIS 14 H HIS 14 -15.148 -1.070 4.039 762 HA HIS 14 HA HIS 14 -12.509 -1.040 2.759 763 HB2 HIS 14 2HB HIS 14 -12.977 1.118 1.929 764 HB3 HIS 14 3HB HIS 14 -14.471 0.224 1.715 765 HD1 HIS 14 HD1 HIS 14 -16.506 0.947 3.230 766 HD2 HIS 14 HD2 HIS 14 -13.108 3.324 3.580 767 HE1 HIS 14 HE1 HIS 14 -17.253 3.034 4.411 768 HE2 HIS 14 HE2 HIS 14 -15.233 4.543 4.401 769 H LEU 15 H LEU 15 -10.765 -0.380 3.860 770 HA LEU 15 HA LEU 15 -11.038 -0.123 6.693 771 HB2 LEU 15 2HB LEU 15 -8.610 0.203 4.929 772 HB3 LEU 15 3HB LEU 15 -8.583 0.068 6.679 773 HG LEU 15 HG LEU 15 -9.555 -2.075 4.782 774 HD11 LEU 15 1HD1 LEU 15 -7.160 -1.795 4.625 775 HD12 LEU 15 2HD1 LEU 15 -7.542 -3.287 5.481 776 HD13 LEU 15 3HD1 LEU 15 -7.011 -1.864 6.379 777 HD21 LEU 15 3HD2 LEU 15 -10.717 -2.150 6.915 778 HD22 LEU 15 1HD2 LEU 15 -9.179 -2.107 7.774 779 HD23 LEU 15 2HD2 LEU 15 -9.594 -3.500 6.776 780 H LEU 16 H LEU 16 -9.668 2.042 4.219 781 HA LEU 16 HA LEU 16 -11.158 4.233 5.276 782 HB2 LEU 16 2HB LEU 16 -9.373 5.699 5.895 783 HB3 LEU 16 3HB LEU 16 -9.232 4.229 6.835 784 HG LEU 16 HG LEU 16 -7.612 4.443 4.342 785 HD11 LEU 16 1HD1 LEU 16 -7.288 6.617 5.391 786 HD12 LEU 16 2HD1 LEU 16 -5.845 5.620 5.569 787 HD13 LEU 16 3HD1 LEU 16 -6.944 5.836 6.931 788 HD21 LEU 16 3HD2 LEU 16 -7.599 2.395 5.675 789 HD22 LEU 16 1HD2 LEU 16 -7.095 3.319 7.090 790 HD23 LEU 16 2HD2 LEU 16 -6.022 3.183 5.698 791 H THR 17 H THR 17 -11.394 5.859 3.837 792 HA THR 17 HA THR 17 -10.377 5.422 1.157 793 HB THR 17 HB THR 17 -12.052 7.747 2.123 794 HG1 THR 17 HG1 THR 17 -12.861 5.108 1.347 795 HG21 THR 17 3HG2 THR 17 -11.089 7.988 -0.112 796 HG22 THR 17 1HG2 THR 17 -12.837 7.787 -0.202 797 HG23 THR 17 2HG2 THR 17 -11.775 6.433 -0.585 798 H LEU 18 H LEU 18 -8.495 6.285 0.494 799 HA LEU 18 HA LEU 18 -7.063 8.107 2.178 800 HB2 LEU 18 2HB LEU 18 -6.414 7.168 -0.617 801 HB3 LEU 18 3HB LEU 18 -5.313 7.993 0.470 802 HG LEU 18 HG LEU 18 -6.475 5.236 0.868 803 HD11 LEU 18 1HD1 LEU 18 -4.747 5.324 -0.840 804 HD12 LEU 18 2HD1 LEU 18 -4.162 4.497 0.604 805 HD13 LEU 18 3HD1 LEU 18 -3.668 6.159 0.278 806 HD21 LEU 18 3HD2 LEU 18 -6.219 6.411 2.996 807 HD22 LEU 18 1HD2 LEU 18 -4.542 6.780 2.593 808 HD23 LEU 18 2HD2 LEU 18 -5.043 5.106 2.832 809 H SER 19 H SER 19 -8.233 8.320 -1.175 810 HA SER 19 HA SER 19 -9.103 11.027 -0.815 811 HB2 SER 19 2HB SER 19 -6.623 11.293 -1.141 812 HB3 SER 19 3HB SER 19 -6.799 10.549 -2.726 813 HG SER 19 HG SER 19 -6.814 12.844 -2.820 814 H GLU 20 H GLU 20 -9.881 11.898 -3.016 815 HA GLU 20 HA GLU 20 -10.595 9.775 -4.867 816 HB2 GLU 20 2HB GLU 20 -12.393 9.825 -3.161 817 HB3 GLU 20 3HB GLU 20 -12.689 11.513 -3.551 818 HG2 GLU 20 2HG GLU 20 -13.455 10.967 -5.724 819 HG3 GLU 20 3HG GLU 20 -12.890 9.303 -5.574 820 H ASN 21 H ASN 21 -9.741 10.588 -6.656 821 HA ASN 21 HA ASN 21 -9.578 13.421 -7.122 822 HB2 ASN 21 2HB ASN 21 -8.904 11.102 -8.954 823 HB3 ASN 21 3HB ASN 21 -8.448 12.783 -9.209 824 HD21 ASN 21 1HD2 ASN 21 -6.758 13.650 -8.055 825 HD22 ASN 21 2HD2 ASN 21 -5.693 12.687 -7.086 826 H GLU 22 H GLU 22 -11.087 14.607 -8.017 827 HA GLU 22 HA GLU 22 -12.789 15.345 -9.301 828 HB2 GLU 22 2HB GLU 22 -12.200 12.945 -11.036 829 HB3 GLU 22 3HB GLU 22 -13.107 14.374 -11.509 830 HG2 GLU 22 2HG GLU 22 -11.030 15.715 -11.075 831 HG3 GLU 22 3HG GLU 22 -10.176 14.185 -10.882 832 H LYS 23 H LYS 23 -13.136 12.978 -7.297 833 HA LYS 23 HA LYS 23 -14.831 11.755 -6.420 834 HB2 LYS 23 2HB LYS 23 -16.061 13.900 -6.666 835 HB3 LYS 23 3HB LYS 23 -16.585 13.397 -8.265 836 HG2 LYS 23 2HG LYS 23 -17.951 11.676 -7.372 837 HG3 LYS 23 3HG LYS 23 -17.236 11.848 -5.769 838 HD2 LYS 23 2HD LYS 23 -18.243 13.996 -5.472 839 HD3 LYS 23 3HD LYS 23 -18.797 14.023 -7.148 840 HE2 LYS 23 2HE LYS 23 -19.665 11.883 -5.221 841 HE3 LYS 23 3HE LYS 23 -20.506 13.427 -5.339 842 HZ1 LYS 23 3HZ LYS 23 -21.402 11.535 -6.728 843 HZ2 LYS 23 1HZ LYS 23 -20.034 11.716 -7.710 844 HZ3 LYS 23 2HZ LYS 23 -21.131 13.000 -7.536 845 H GLY 24 H GLY 24 -13.472 11.110 -9.054 846 HA2 GLY 24 2HA GLY 24 -15.346 8.977 -9.872 847 HA3 GLY 24 3HA GLY 24 -14.366 9.852 -11.043 848 H TRP 25 H TRP 25 -11.953 9.968 -9.660 849 HA TRP 25 HA TRP 25 -11.173 7.141 -9.702 850 HB2 TRP 25 2HB TRP 25 -9.658 9.690 -10.217 851 HB3 TRP 25 3HB TRP 25 -8.812 8.192 -9.835 852 HD1 TRP 25 HD1 TRP 25 -11.191 9.629 -12.529 853 HE1 TRP 25 HE1 TRP 25 -10.778 8.337 -14.721 854 HE3 TRP 25 HE3 TRP 25 -7.887 6.133 -10.796 855 HZ2 TRP 25 HZ2 TRP 25 -9.254 6.123 -15.590 856 HZ3 TRP 25 HZ3 TRP 25 -6.998 4.466 -12.369 857 HH2 TRP 25 HH2 TRP 25 -7.669 4.462 -14.717 858 H THR 26 H THR 26 -11.684 6.549 -7.632 859 HA THR 26 HA THR 26 -10.743 8.121 -5.383 860 HB THR 26 HB THR 26 -11.992 5.383 -5.217 861 HG1 THR 26 HG1 THR 26 -13.720 7.536 -5.022 862 HG21 THR 26 3HG2 THR 26 -11.139 6.362 -3.134 863 HG22 THR 26 1HG2 THR 26 -12.899 6.243 -3.111 864 HG23 THR 26 2HG2 THR 26 -12.126 7.799 -3.406 865 H LYS 27 H LYS 27 -9.289 7.259 -3.759 866 HA LYS 27 HA LYS 27 -7.822 4.839 -4.567 867 HB2 LYS 27 2HB LYS 27 -6.557 7.102 -4.856 868 HB3 LYS 27 3HB LYS 27 -6.448 7.075 -3.100 869 HG2 LYS 27 2HG LYS 27 -5.304 4.924 -3.195 870 HG3 LYS 27 3HG LYS 27 -5.434 4.932 -4.954 871 HD2 LYS 27 2HD LYS 27 -3.876 6.858 -3.232 872 HD3 LYS 27 3HD LYS 27 -3.219 5.648 -4.333 873 HE2 LYS 27 2HE LYS 27 -4.753 8.144 -5.036 874 HE3 LYS 27 3HE LYS 27 -3.069 7.775 -5.397 875 HZ1 LYS 27 3HZ LYS 27 -5.363 6.251 -6.489 876 HZ2 LYS 27 1HZ LYS 27 -3.733 6.105 -6.936 877 HZ3 LYS 27 2HZ LYS 27 -4.600 7.515 -7.302 878 H GLU 28 H GLU 28 -8.014 3.304 -3.048 879 HA GLU 28 HA GLU 28 -8.481 4.080 -0.281 880 HB2 GLU 28 2HB GLU 28 -10.679 4.235 -1.366 881 HB3 GLU 28 3HB GLU 28 -10.521 2.580 -1.932 882 HG2 GLU 28 2HG GLU 28 -10.584 1.758 0.331 883 HG3 GLU 28 3HG GLU 28 -10.610 3.406 0.957 884 H ILE 29 H ILE 29 -8.410 2.329 1.200 885 HA ILE 29 HA ILE 29 -7.188 -0.129 0.125 886 HB ILE 29 HB ILE 29 -6.949 0.995 2.928 887 HG12 ILE 29 2HG1 ILE 29 -4.935 0.954 0.666 888 HG13 ILE 29 3HG1 ILE 29 -5.775 2.385 1.252 889 HG21 ILE 29 1HG2 ILE 29 -5.234 -0.722 3.224 890 HG22 ILE 29 2HG2 ILE 29 -5.534 -1.310 1.590 891 HG23 ILE 29 3HG2 ILE 29 -6.793 -1.444 2.818 892 HD11 ILE 29 3HD1 ILE 29 -3.824 0.709 2.812 893 HD12 ILE 29 1HD1 ILE 29 -4.671 2.133 3.415 894 HD13 ILE 29 2HD1 ILE 29 -3.509 2.291 2.097 895 H ASN 30 H ASN 30 -8.365 -1.953 0.317 896 HA ASN 30 HA ASN 30 -10.579 -1.999 2.237 897 HB2 ASN 30 2HB ASN 30 -12.204 -2.698 0.576 898 HB3 ASN 30 3HB ASN 30 -11.528 -1.147 0.111 899 HD21 ASN 30 1HD2 ASN 30 -9.090 -2.136 -1.012 900 HD22 ASN 30 2HD2 ASN 30 -9.485 -2.989 -2.456 901 H ARG 31 H ARG 31 -11.634 -4.183 2.319 902 HA ARG 31 HA ARG 31 -9.600 -6.269 1.903 903 HB2 ARG 31 2HB ARG 31 -11.915 -6.186 3.845 904 HB3 ARG 31 3HB ARG 31 -10.847 -7.564 3.623 905 HG2 ARG 31 2HG ARG 31 -8.945 -6.046 4.266 906 HG3 ARG 31 3HG ARG 31 -10.166 -4.857 4.729 907 HD2 ARG 31 2HD ARG 31 -9.471 -6.121 6.671 908 HD3 ARG 31 3HD ARG 31 -11.147 -6.497 6.276 909 HE ARG 31 HE ARG 31 -9.270 -8.328 5.100 910 HH11 ARG 31 1HH1 ARG 31 -11.104 -7.584 7.994 911 HH12 ARG 31 2HH1 ARG 31 -11.104 -9.231 8.558 912 HH21 ARG 31 1HH2 ARG 31 -9.267 -10.486 5.845 913 HH22 ARG 31 2HH2 ARG 31 -10.061 -10.872 7.345 914 H VAL 32 H VAL 32 -9.984 -7.771 0.425 915 HA VAL 32 HA VAL 32 -12.760 -8.131 -0.503 916 HB VAL 32 HB VAL 32 -10.275 -8.348 -2.215 917 HG11 VAL 32 1HG1 VAL 32 -13.208 -8.447 -2.913 918 HG12 VAL 32 2HG1 VAL 32 -12.058 -9.784 -2.987 919 HG13 VAL 32 3HG1 VAL 32 -11.885 -8.412 -4.080 920 HG21 VAL 32 3HG2 VAL 32 -10.988 -6.273 -3.277 921 HG22 VAL 32 1HG2 VAL 32 -10.689 -6.025 -1.556 922 HG23 VAL 32 2HG2 VAL 32 -12.344 -6.152 -2.154 923 H SER 33 H SER 33 -13.513 -10.136 -0.384 924 HA SER 33 HA SER 33 -11.652 -12.333 0.140 925 HB2 SER 33 2HB SER 33 -13.591 -12.119 1.642 926 HB3 SER 33 3HB SER 33 -14.682 -12.241 0.260 927 HG SER 33 HG SER 33 -12.846 -14.237 1.134 928 H PHE 34 H PHE 34 -11.072 -13.672 -1.443 929 HA PHE 34 HA PHE 34 -12.558 -13.556 -3.974 930 HB2 PHE 34 2HB PHE 34 -9.702 -14.372 -3.400 931 HB3 PHE 34 3HB PHE 34 -10.464 -14.492 -4.980 932 HD1 PHE 34 HD1 PHE 34 -11.123 -12.433 -6.188 933 HD2 PHE 34 HD2 PHE 34 -8.864 -12.314 -2.584 934 HE1 PHE 34 HE1 PHE 34 -10.443 -10.127 -6.701 935 HE2 PHE 34 HE2 PHE 34 -8.180 -10.001 -3.088 936 HZ PHE 34 HZ PHE 34 -8.968 -8.906 -5.148 937 H ASN 35 H ASN 35 -13.909 -15.186 -4.278 938 HA ASN 35 HA ASN 35 -14.595 -17.291 -4.778 939 HB2 ASN 35 2HB ASN 35 -12.463 -17.820 -5.696 940 HB3 ASN 35 3HB ASN 35 -11.740 -17.987 -4.101 941 HD21 ASN 35 1HD2 ASN 35 -13.939 -19.427 -6.411 942 HD22 ASN 35 2HD2 ASN 35 -13.861 -21.037 -5.766 943 H GLY 36 H GLY 36 -13.129 -16.695 -1.693 944 HA2 GLY 36 2HA GLY 36 -14.933 -17.437 0.057 945 HA3 GLY 36 3HA GLY 36 -14.439 -19.029 -0.506 946 H ALA 37 H ALA 37 -11.720 -17.417 -0.868 947 HA ALA 37 HA ALA 37 -10.531 -18.323 1.565 948 HB1 ALA 37 3HB ALA 37 -9.416 -16.521 -0.590 949 HB2 ALA 37 1HB ALA 37 -9.301 -18.280 -0.555 950 HB3 ALA 37 2HB ALA 37 -8.484 -17.318 0.678 951 HA PRO 38 HA PRO 38 -11.168 -14.957 4.361 952 HB2 PRO 38 2HB PRO 38 -8.210 -15.089 4.740 953 HB3 PRO 38 3HB PRO 38 -9.497 -15.073 5.951 954 HG2 PRO 38 2HG PRO 38 -8.250 -17.338 5.350 955 HG3 PRO 38 3HG PRO 38 -9.998 -17.314 5.646 956 HD2 PRO 38 2HD PRO 38 -8.516 -17.556 3.072 957 HD3 PRO 38 3HD PRO 38 -10.067 -18.270 3.557 958 H ALA 39 H ALA 39 -11.330 -12.835 4.051 959 HA ALA 39 HA ALA 39 -10.473 -11.620 1.703 960 HB1 ALA 39 3HB ALA 39 -11.328 -10.287 4.263 961 HB2 ALA 39 1HB ALA 39 -12.398 -10.864 2.987 962 HB3 ALA 39 2HB ALA 39 -11.281 -9.537 2.668 963 H LYS 40 H LYS 40 -8.607 -10.850 1.073 964 HA LYS 40 HA LYS 40 -6.505 -10.259 2.999 965 HB2 LYS 40 2HB LYS 40 -6.634 -10.848 0.110 966 HB3 LYS 40 3HB LYS 40 -5.442 -9.637 0.557 967 HG2 LYS 40 2HG LYS 40 -4.485 -11.881 0.474 968 HG3 LYS 40 3HG LYS 40 -4.398 -11.195 2.095 969 HD2 LYS 40 2HD LYS 40 -6.413 -12.483 2.707 970 HD3 LYS 40 3HD LYS 40 -6.396 -13.221 1.103 971 HE2 LYS 40 2HE LYS 40 -4.205 -14.182 1.548 972 HE3 LYS 40 3HE LYS 40 -4.164 -13.395 3.125 973 HZ1 LYS 40 3HZ LYS 40 -4.803 -15.703 3.330 974 HZ2 LYS 40 1HZ LYS 40 -6.102 -15.476 2.260 975 HZ3 LYS 40 2HZ LYS 40 -6.100 -14.705 3.774 976 H PHE 41 H PHE 41 -5.132 -8.234 2.217 977 HA PHE 41 HA PHE 41 -7.046 -6.005 2.308 978 HB2 PHE 41 2HB PHE 41 -4.121 -6.000 3.084 979 HB3 PHE 41 3HB PHE 41 -5.298 -4.728 3.394 980 HD1 PHE 41 HD2 PHE 41 -4.085 -8.019 4.413 981 HD2 PHE 41 HD1 PHE 41 -6.928 -4.948 5.161 982 HE1 PHE 41 HE2 PHE 41 -4.584 -9.022 6.601 983 HE2 PHE 41 HE1 PHE 41 -7.431 -5.942 7.354 984 HZ PHE 41 HZ PHE 41 -6.259 -7.984 8.075 985 H ASP 42 H ASP 42 -7.293 -4.953 0.440 986 HA ASP 42 HA ASP 42 -5.087 -5.101 -1.501 987 HB2 ASP 42 2HB ASP 42 -7.069 -6.294 -2.248 988 HB3 ASP 42 3HB ASP 42 -8.065 -4.869 -1.969 989 H ILE 43 H ILE 43 -4.177 -3.300 -2.197 990 HA ILE 43 HA ILE 43 -5.440 -0.734 -1.479 991 HB ILE 43 HB ILE 43 -2.511 -1.215 -2.078 992 HG12 ILE 43 2HG1 ILE 43 -3.929 -1.022 0.592 993 HG13 ILE 43 3HG1 ILE 43 -3.084 -2.428 -0.052 994 HG21 ILE 43 1HG2 ILE 43 -2.219 1.004 -1.062 995 HG22 ILE 43 2HG2 ILE 43 -3.966 1.135 -0.865 996 HG23 ILE 43 3HG2 ILE 43 -3.266 1.061 -2.480 997 HD11 ILE 43 3HD1 ILE 43 -1.765 -1.293 1.638 998 HD12 ILE 43 1HD1 ILE 43 -1.813 0.195 0.692 999 HD13 ILE 43 2HD1 ILE 43 -0.975 -1.225 0.062 1000 H ARG 44 H ARG 44 -6.455 0.083 -3.234 1001 HA ARG 44 HA ARG 44 -4.942 0.366 -5.676 1002 HB2 ARG 44 2HB ARG 44 -6.366 -0.836 -7.134 1003 HB3 ARG 44 3HB ARG 44 -5.995 -1.922 -5.805 1004 HG2 ARG 44 2HG ARG 44 -8.187 -1.419 -4.807 1005 HG3 ARG 44 3HG ARG 44 -8.554 -0.385 -6.192 1006 HD2 ARG 44 2HD ARG 44 -8.121 -2.392 -7.653 1007 HD3 ARG 44 3HD ARG 44 -8.074 -3.357 -6.181 1008 HE ARG 44 HE ARG 44 -10.407 -2.140 -7.415 1009 HH11 ARG 44 1HH1 ARG 44 -9.048 -3.777 -4.623 1010 HH12 ARG 44 2HH1 ARG 44 -10.596 -4.355 -4.067 1011 HH21 ARG 44 1HH2 ARG 44 -12.418 -2.939 -6.719 1012 HH22 ARG 44 2HH2 ARG 44 -12.510 -3.874 -5.258 1013 H ALA 45 H ALA 45 -6.831 1.121 -7.415 1014 HA ALA 45 HA ALA 45 -8.030 3.447 -6.089 1015 HB1 ALA 45 3HB ALA 45 -7.848 4.588 -8.238 1016 HB2 ALA 45 1HB ALA 45 -7.167 3.132 -8.965 1017 HB3 ALA 45 2HB ALA 45 -6.274 3.991 -7.708 1018 H TRP 46 H TRP 46 -10.038 4.229 -6.980 1019 HA TRP 46 HA TRP 46 -11.687 2.130 -8.218 1020 HB2 TRP 46 2HB TRP 46 -12.498 4.584 -6.631 1021 HB3 TRP 46 3HB TRP 46 -13.631 3.524 -7.458 1022 HD1 TRP 46 HD1 TRP 46 -11.915 3.977 -4.195 1023 HE1 TRP 46 HE1 TRP 46 -12.404 1.975 -2.642 1024 HE3 TRP 46 HE3 TRP 46 -13.928 0.768 -7.630 1025 HZ2 TRP 46 HZ2 TRP 46 -13.483 -0.617 -2.858 1026 HZ3 TRP 46 HZ3 TRP 46 -14.664 -1.454 -6.871 1027 HH2 TRP 46 HH2 TRP 46 -14.445 -2.130 -4.536 1028 H SER 47 H SER 47 -12.954 2.710 -10.028 1029 HA SER 47 HA SER 47 -12.353 5.268 -11.294 1030 HB2 SER 47 2HB SER 47 -11.938 2.628 -12.721 1031 HB3 SER 47 3HB SER 47 -11.577 4.243 -13.334 1032 HG SER 47 HG SER 47 -10.234 4.145 -11.158 1033 HA PRO 48 HA PRO 48 -16.520 5.057 -12.926 1034 HB2 PRO 48 2HB PRO 48 -15.327 5.234 -15.653 1035 HB3 PRO 48 3HB PRO 48 -16.612 6.205 -14.924 1036 HG2 PRO 48 2HG PRO 48 -14.155 7.189 -15.214 1037 HG3 PRO 48 3HG PRO 48 -15.118 7.554 -13.772 1038 HD2 PRO 48 2HD PRO 48 -12.814 5.688 -14.091 1039 HD3 PRO 48 3HD PRO 48 -13.280 6.682 -12.696 1040 H ASP 49 H ASP 49 -17.075 2.975 -12.493 1041 HA ASP 49 HA ASP 49 -15.941 0.708 -13.740 1042 HB2 ASP 49 2HB ASP 49 -16.875 0.394 -11.589 1043 HB3 ASP 49 3HB ASP 49 -18.403 1.135 -12.053 1044 H HIS 50 H HIS 50 -17.003 -0.828 -15.132 1045 HA HIS 50 HA HIS 50 -17.978 -1.398 -17.101 1046 HB2 HIS 50 2HB HIS 50 -19.854 0.787 -16.254 1047 HB3 HIS 50 3HB HIS 50 -19.971 0.122 -17.877 1048 HD1 HIS 50 HD1 HIS 50 -19.986 -1.185 -14.274 1049 HD2 HIS 50 HD2 HIS 50 -21.601 -2.027 -18.026 1050 HE1 HIS 50 HE1 HIS 50 -21.572 -3.103 -13.925 1051 HE2 HIS 50 HE2 HIS 50 -22.524 -3.616 -16.197 1052 H THR 51 H THR 51 -16.035 1.052 -16.616 1053 HA THR 51 HA THR 51 -15.776 1.580 -19.476 1054 HB THR 51 HB THR 51 -15.776 3.791 -17.409 1055 HG1 THR 51 HG1 THR 51 -17.782 2.673 -18.660 1056 HG21 THR 51 3HG2 THR 51 -14.138 4.157 -19.220 1057 HG22 THR 51 1HG2 THR 51 -15.477 5.304 -19.297 1058 HG23 THR 51 2HG2 THR 51 -15.423 3.935 -20.406 1059 H LYS 52 H LYS 52 -14.255 2.567 -16.377 1060 HA LYS 52 HA LYS 52 -11.702 1.554 -17.450 1061 HB2 LYS 52 2HB LYS 52 -12.104 4.145 -15.940 1062 HB3 LYS 52 3HB LYS 52 -10.541 3.440 -16.318 1063 HG2 LYS 52 2HG LYS 52 -11.127 3.620 -18.735 1064 HG3 LYS 52 3HG LYS 52 -12.581 4.499 -18.259 1065 HD2 LYS 52 2HD LYS 52 -11.172 6.176 -17.137 1066 HD3 LYS 52 3HD LYS 52 -9.734 5.308 -17.673 1067 HE2 LYS 52 2HE LYS 52 -10.466 5.654 -20.021 1068 HE3 LYS 52 3HE LYS 52 -11.804 6.633 -19.422 1069 HZ1 LYS 52 3HZ LYS 52 -8.901 7.217 -19.213 1070 HZ2 LYS 52 1HZ LYS 52 -10.077 8.068 -18.337 1071 HZ3 LYS 52 2HZ LYS 52 -10.086 8.113 -20.032 1072 H MET 53 H MET 53 -10.253 0.702 -15.924 1073 HA MET 53 HA MET 53 -11.169 0.582 -13.139 1074 HB2 MET 53 2HB MET 53 -10.384 -1.813 -14.808 1075 HB3 MET 53 3HB MET 53 -10.589 -1.844 -13.064 1076 HG2 MET 53 2HG MET 53 -12.939 -1.225 -13.335 1077 HG3 MET 53 3HG MET 53 -12.725 -1.209 -15.084 1078 HE1 MET 53 3HE MET 53 -14.740 -2.891 -15.411 1079 HE2 MET 53 1HE MET 53 -15.003 -2.888 -13.667 1080 HE3 MET 53 2HE MET 53 -14.892 -4.417 -14.541 1081 H GLY 54 H GLY 54 -9.520 1.842 -12.365 1082 HA2 GLY 54 2HA GLY 54 -6.760 1.092 -12.905 1083 HA3 GLY 54 3HA GLY 54 -7.305 2.390 -11.848 1084 H LYS 55 H LYS 55 -5.270 0.665 -11.033 1085 HA LYS 55 HA LYS 55 -6.441 -0.428 -8.651 1086 HB2 LYS 55 2HB LYS 55 -5.640 -2.729 -8.979 1087 HB3 LYS 55 3HB LYS 55 -6.902 -2.294 -10.126 1088 HG2 LYS 55 2HG LYS 55 -5.373 -2.128 -11.902 1089 HG3 LYS 55 3HG LYS 55 -3.985 -2.114 -10.810 1090 HD2 LYS 55 2HD LYS 55 -4.517 -4.430 -10.155 1091 HD3 LYS 55 3HD LYS 55 -5.844 -4.433 -11.321 1092 HE2 LYS 55 2HE LYS 55 -4.331 -4.192 -13.151 1093 HE3 LYS 55 3HE LYS 55 -2.974 -3.898 -12.064 1094 HZ1 LYS 55 3HZ LYS 55 -3.029 -6.167 -12.984 1095 HZ2 LYS 55 1HZ LYS 55 -4.495 -6.446 -12.184 1096 HZ3 LYS 55 2HZ LYS 55 -3.087 -6.143 -11.291 1097 H GLY 56 H GLY 56 -4.568 -2.003 -7.678 1098 HA2 GLY 56 2HA GLY 56 -1.949 -0.795 -8.100 1099 HA3 GLY 56 3HA GLY 56 -2.646 -0.684 -6.487 1100 H ILE 57 H ILE 57 -2.558 -2.446 -5.138 1101 HA ILE 57 HA ILE 57 -1.723 -5.011 -6.192 1102 HB ILE 57 HB ILE 57 0.401 -3.762 -6.022 1103 HG12 ILE 57 2HG1 ILE 57 0.235 -5.913 -3.906 1104 HG13 ILE 57 3HG1 ILE 57 0.240 -6.248 -5.634 1105 HG21 ILE 57 1HG2 ILE 57 1.287 -3.188 -3.787 1106 HG22 ILE 57 2HG2 ILE 57 -0.286 -3.583 -3.091 1107 HG23 ILE 57 3HG2 ILE 57 -0.138 -2.244 -4.227 1108 HD11 ILE 57 3HD1 ILE 57 2.441 -5.248 -5.835 1109 HD12 ILE 57 1HD1 ILE 57 2.440 -6.549 -4.643 1110 HD13 ILE 57 2HD1 ILE 57 2.435 -4.867 -4.112 1111 H THR 58 H THR 58 -2.114 -6.704 -4.815 1112 HA THR 58 HA THR 58 -3.705 -6.069 -2.453 1113 HB THR 58 HB THR 58 -3.250 -8.810 -3.627 1114 HG1 THR 58 HG1 THR 58 -5.111 -6.774 -4.412 1115 HG21 THR 58 3HG2 THR 58 -5.526 -7.612 -2.040 1116 HG22 THR 58 1HG2 THR 58 -4.303 -8.719 -1.420 1117 HG23 THR 58 2HG2 THR 58 -5.450 -9.268 -2.639 1118 H LEU 59 H LEU 59 -3.061 -6.501 -0.416 1119 HA LEU 59 HA LEU 59 -0.429 -7.784 -0.062 1120 HB2 LEU 59 2HB LEU 59 -1.827 -5.958 1.893 1121 HB3 LEU 59 3HB LEU 59 -0.168 -6.512 1.958 1122 HG LEU 59 HG LEU 59 -1.333 -4.548 -0.017 1123 HD11 LEU 59 1HD1 LEU 59 0.666 -4.239 2.217 1124 HD12 LEU 59 2HD1 LEU 59 -0.983 -3.614 2.187 1125 HD13 LEU 59 3HD1 LEU 59 0.219 -2.982 1.063 1126 HD21 LEU 59 3HD2 LEU 59 0.941 -4.313 -0.873 1127 HD22 LEU 59 1HD2 LEU 59 0.349 -5.960 -1.090 1128 HD23 LEU 59 2HD2 LEU 59 1.487 -5.598 0.207 1129 H SER 60 H SER 60 -0.242 -9.482 1.374 1130 HA SER 60 HA SER 60 -2.707 -10.658 2.340 1131 HB2 SER 60 2HB SER 60 0.088 -11.641 2.922 1132 HB3 SER 60 3HB SER 60 -1.410 -12.577 2.865 1133 HG SER 60 HG SER 60 0.203 -11.638 0.788 1134 H ASN 61 H ASN 61 -2.469 -11.591 4.710 1135 HA ASN 61 HA ASN 61 -2.720 -9.453 6.457 1136 HB2 ASN 61 2HB ASN 61 -2.071 -12.337 7.101 1137 HB3 ASN 61 3HB ASN 61 -2.594 -11.142 8.280 1138 HD21 ASN 61 1HD2 ASN 61 -4.440 -12.185 8.849 1139 HD22 ASN 61 2HD2 ASN 61 -5.802 -12.375 7.785 1140 H GLU 62 H GLU 62 0.069 -11.476 5.770 1141 HA GLU 62 HA GLU 62 1.698 -10.589 7.876 1142 HB2 GLU 62 2HB GLU 62 2.172 -12.632 6.610 1143 HB3 GLU 62 3HB GLU 62 2.519 -11.674 5.176 1144 HG2 GLU 62 2HG GLU 62 4.463 -10.744 6.162 1145 HG3 GLU 62 3HG GLU 62 4.045 -11.394 7.748 1146 H GLU 63 H GLU 63 1.820 -9.632 4.419 1147 HA GLU 63 HA GLU 63 3.752 -7.642 4.706 1148 HB2 GLU 63 2HB GLU 63 1.457 -7.545 2.740 1149 HB3 GLU 63 3HB GLU 63 2.999 -6.723 2.598 1150 HG2 GLU 63 2HG GLU 63 3.379 -8.458 1.212 1151 HG3 GLU 63 3HG GLU 63 3.926 -9.182 2.724 1152 H PHE 64 H PHE 64 0.255 -7.447 5.046 1153 HA PHE 64 HA PHE 64 0.093 -4.638 5.070 1154 HB2 PHE 64 2HB PHE 64 -1.744 -6.453 4.749 1155 HB3 PHE 64 3HB PHE 64 -1.885 -6.367 6.502 1156 HD1 PHE 64 HD2 PHE 64 -1.909 -4.254 3.460 1157 HD2 PHE 64 HD1 PHE 64 -3.222 -4.736 7.477 1158 HE1 PHE 64 HE2 PHE 64 -3.350 -2.276 3.220 1159 HE2 PHE 64 HE1 PHE 64 -4.663 -2.759 7.244 1160 HZ PHE 64 HZ PHE 64 -4.727 -1.526 5.114 1161 H GLN 65 H GLN 65 0.006 -6.973 7.777 1162 HA GLN 65 HA GLN 65 -0.043 -5.001 9.794 1163 HB2 GLN 65 2HB GLN 65 -0.712 -7.228 10.354 1164 HB3 GLN 65 3HB GLN 65 0.822 -7.897 9.819 1165 HG2 GLN 65 2HG GLN 65 0.600 -7.837 12.262 1166 HG3 GLN 65 3HG GLN 65 1.968 -6.897 11.677 1167 HE21 GLN 65 1HE2 GLN 65 2.076 -5.630 13.498 1168 HE22 GLN 65 2HE2 GLN 65 0.888 -4.435 13.883 1169 H THR 66 H THR 66 2.568 -6.533 8.024 1170 HA THR 66 HA THR 66 4.720 -5.763 9.646 1171 HB THR 66 HB THR 66 4.674 -6.196 6.652 1172 HG1 THR 66 HG1 THR 66 4.123 -8.088 7.682 1173 HG21 THR 66 3HG2 THR 66 7.010 -6.135 8.570 1174 HG22 THR 66 1HG2 THR 66 6.660 -4.934 7.327 1175 HG23 THR 66 2HG2 THR 66 7.092 -6.581 6.865 1176 H MET 67 H MET 67 3.175 -4.079 6.905 1177 HA MET 67 HA MET 67 5.043 -1.926 6.991 1178 HB2 MET 67 2HB MET 67 3.653 -0.826 5.354 1179 HB3 MET 67 3HB MET 67 3.836 -2.517 4.931 1180 HG2 MET 67 2HG MET 67 1.623 -2.135 4.488 1181 HG3 MET 67 3HG MET 67 1.556 -2.807 6.115 1182 HE1 MET 67 3HE MET 67 -0.796 -1.161 4.672 1183 HE2 MET 67 1HE MET 67 -1.357 -0.155 6.008 1184 HE3 MET 67 2HE MET 67 -0.949 -1.846 6.289 1185 H VAL 68 H VAL 68 2.005 -2.566 8.581 1186 HA VAL 68 HA VAL 68 1.355 0.017 9.426 1187 HB VAL 68 HB VAL 68 0.823 -2.672 10.684 1188 HG11 VAL 68 1HG1 VAL 68 -0.341 -0.024 11.543 1189 HG12 VAL 68 2HG1 VAL 68 0.850 -0.951 12.453 1190 HG13 VAL 68 3HG1 VAL 68 -0.759 -1.617 12.182 1191 HG21 VAL 68 3HG2 VAL 68 -0.818 -0.720 9.093 1192 HG22 VAL 68 1HG2 VAL 68 -1.490 -2.123 9.922 1193 HG23 VAL 68 2HG2 VAL 68 -0.318 -2.343 8.623 1194 H ASP 69 H ASP 69 3.044 -2.496 11.314 1195 HA ASP 69 HA ASP 69 3.875 -0.824 13.398 1196 HB2 ASP 69 2HB ASP 69 3.953 -3.262 13.545 1197 HB3 ASP 69 3HB ASP 69 5.207 -3.314 12.312 1198 H ALA 70 H ALA 70 5.472 -1.653 10.357 1199 HA ALA 70 HA ALA 70 7.934 -0.421 10.905 1200 HB1 ALA 70 3HB ALA 70 8.374 -0.598 8.537 1201 HB2 ALA 70 1HB ALA 70 6.665 -0.892 8.219 1202 HB3 ALA 70 2HB ALA 70 7.609 -2.073 9.128 1203 H PHE 71 H PHE 71 5.105 0.820 9.085 1204 HA PHE 71 HA PHE 71 6.328 3.311 8.518 1205 HB2 PHE 71 2HB PHE 71 3.489 2.361 8.405 1206 HB3 PHE 71 3HB PHE 71 3.909 4.039 8.070 1207 HD1 PHE 71 HD1 PHE 71 6.481 3.696 6.678 1208 HD2 PHE 71 HD2 PHE 71 2.830 1.540 6.322 1209 HE1 PHE 71 HE1 PHE 71 7.062 3.101 4.365 1210 HE2 PHE 71 HE2 PHE 71 3.407 0.941 4.007 1211 HZ PHE 71 HZ PHE 71 5.526 1.721 3.027 1212 H LYS 72 H LYS 72 4.510 2.133 11.225 1213 HA LYS 72 HA LYS 72 4.005 4.534 12.571 1214 HB2 LYS 72 2HB LYS 72 3.045 2.577 13.474 1215 HB3 LYS 72 3HB LYS 72 4.584 1.726 13.496 1216 HG2 LYS 72 2HG LYS 72 5.355 3.080 15.340 1217 HG3 LYS 72 3HG LYS 72 3.890 4.065 15.267 1218 HD2 LYS 72 2HD LYS 72 3.842 2.359 17.073 1219 HD3 LYS 72 3HD LYS 72 2.531 2.182 15.907 1220 HE2 LYS 72 2HE LYS 72 3.430 0.008 16.417 1221 HE3 LYS 72 3HE LYS 72 3.842 0.428 14.757 1222 HZ1 LYS 72 3HZ LYS 72 6.052 1.153 15.630 1223 HZ2 LYS 72 1HZ LYS 72 5.750 -0.511 15.761 1224 HZ3 LYS 72 2HZ LYS 72 5.626 0.484 17.127 1225 H GLY 73 H GLY 73 6.917 2.539 12.370 1226 HA2 GLY 73 2HA GLY 73 8.382 4.408 14.079 1227 HA3 GLY 73 3HA GLY 73 9.002 2.909 13.404 1228 H ASN 74 H ASN 74 8.185 3.558 10.680 1229 HA ASN 74 HA ASN 74 10.620 4.957 10.014 1230 HB2 ASN 74 2HB ASN 74 10.102 2.918 8.829 1231 HB3 ASN 74 3HB ASN 74 8.559 3.570 8.295 1232 HD21 ASN 74 1HD2 ASN 74 11.994 3.584 7.829 1233 HD22 ASN 74 2HD2 ASN 74 11.989 4.436 6.328 1234 H LEU 75 H LEU 75 7.319 5.308 8.653 1235 HA LEU 75 HA LEU 75 8.074 7.763 7.425 1236 HB2 LEU 75 2HB LEU 75 6.440 6.241 6.400 1237 HB3 LEU 75 3HB LEU 75 5.326 6.556 7.720 1238 HG LEU 75 HG LEU 75 5.224 8.935 7.058 1239 HD11 LEU 75 1HD1 LEU 75 7.423 9.121 6.041 1240 HD12 LEU 75 2HD1 LEU 75 6.158 9.636 4.923 1241 HD13 LEU 75 3HD1 LEU 75 6.913 8.053 4.731 1242 HD21 LEU 75 3HD2 LEU 75 4.580 6.949 4.881 1243 HD22 LEU 75 1HD2 LEU 75 3.987 8.610 4.944 1244 HD23 LEU 75 2HD2 LEU 75 3.526 7.467 6.201 1245 H GLU 76 H GLU 76 5.496 7.110 9.830 1246 HA GLU 76 HA GLU 76 5.261 9.909 10.413 1247 HB2 GLU 76 2HB GLU 76 3.404 8.174 10.606 1248 HB3 GLU 76 3HB GLU 76 4.189 7.637 12.086 1249 HG2 GLU 76 2HG GLU 76 3.963 9.954 12.967 1250 HG3 GLU 76 3HG GLU 76 3.020 10.352 11.533 1251 H HIS 77 H HIS 77 6.610 7.077 11.985 1252 HA HIS 77 HA HIS 77 8.320 6.787 13.434 1253 HB2 HIS 77 2HB HIS 77 9.494 8.542 12.125 1254 HB3 HIS 77 3HB HIS 77 8.793 9.769 13.172 1255 HD1 HIS 77 HD1 HIS 77 11.386 7.039 13.137 1256 HD2 HIS 77 HD2 HIS 77 10.039 10.094 15.625 1257 HE1 HIS 77 HE1 HIS 77 13.091 7.223 14.980 1258 HE2 HIS 77 HE2 HIS 77 12.325 9.166 16.394 1259 H HIS 78 H HIS 78 8.168 6.419 15.544 1260 HA HIS 78 HA HIS 78 6.119 7.285 17.147 1261 HB2 HIS 78 2HB HIS 78 7.341 6.434 19.061 1262 HB3 HIS 78 3HB HIS 78 7.597 5.363 17.690 1263 HD1 HIS 78 HD1 HIS 78 9.354 7.553 20.090 1264 HD2 HIS 78 HD2 HIS 78 10.248 5.435 16.619 1265 HE1 HIS 78 HE1 HIS 78 11.869 7.467 19.972 1266 HE2 HIS 78 HE2 HIS 78 12.387 6.066 17.940 1267 H HIS 79 H HIS 79 5.700 9.005 18.424 1268 HA HIS 79 HA HIS 79 7.150 11.365 17.654 1269 HB2 HIS 79 2HB HIS 79 4.713 11.016 19.405 1270 HB3 HIS 79 3HB HIS 79 5.385 12.572 18.928 1271 HD1 HIS 79 HD1 HIS 79 4.661 13.502 16.722 1272 HD2 HIS 79 HD2 HIS 79 3.670 9.486 17.161 1273 HE1 HIS 79 HE1 HIS 79 3.207 12.939 14.744 1274 HE2 HIS 79 HE2 HIS 79 2.673 10.480 14.989 1275 H HIS 80 H HIS 80 9.093 11.471 18.615 1276 HA HIS 80 HA HIS 80 9.203 11.382 21.548 1277 HB2 HIS 80 2HB HIS 80 10.806 9.980 20.209 1278 HB3 HIS 80 3HB HIS 80 11.509 11.468 19.588 1279 HD1 HIS 80 HD1 HIS 80 13.561 12.132 20.799 1280 HD2 HIS 80 HD2 HIS 80 10.920 10.039 23.244 1281 HE1 HIS 80 HE1 HIS 80 14.705 11.937 23.032 1282 HE2 HIS 80 HE2 HIS 80 13.156 10.533 24.447 1283 H HIS 81 H HIS 81 9.065 13.462 18.928 1284 HA HIS 81 HA HIS 81 9.273 15.647 18.540 1285 HB2 HIS 81 2HB HIS 81 8.449 17.170 20.154 1286 HB3 HIS 81 3HB HIS 81 7.573 15.668 20.370 1287 HD1 HIS 81 HD1 HIS 81 7.618 14.624 22.656 1288 HD2 HIS 81 HD2 HIS 81 10.317 17.764 22.269 1289 HE1 HIS 81 HE1 HIS 81 8.449 15.096 24.981 1290 HE2 HIS 81 HE2 HIS 81 9.927 17.121 24.745 1291 H HIS 82 H HIS 82 10.389 17.740 19.038 1292 HA HIS 82 HA HIS 82 12.855 17.536 20.510 1293 HB2 HIS 82 2HB HIS 82 14.301 18.156 18.587 1294 HB3 HIS 82 3HB HIS 82 13.619 16.544 18.440 1295 HD1 HIS 82 HD1 HIS 82 13.715 19.870 16.812 1296 HD2 HIS 82 HD2 HIS 82 11.670 16.272 16.378 1297 HE1 HIS 82 HE1 HIS 82 12.659 19.959 14.532 1298 HE2 HIS 82 HE2 HIS 82 11.520 17.732 14.243 Start of MODEL 18 1 H1 MET 1 1H MET 1 12.013 0.269 -25.540 2 H2 MET 1 2H MET 1 13.279 0.782 -24.542 3 H3 MET 1 3H MET 1 13.239 -0.816 -25.109 4 HA MET 1 HA MET 1 14.854 0.425 -26.349 5 HB2 MET 1 2HB MET 1 12.329 -0.135 -27.924 6 HB3 MET 1 3HB MET 1 13.912 0.135 -28.639 7 HG2 MET 1 2HG MET 1 14.771 -1.853 -27.573 8 HG3 MET 1 3HG MET 1 13.241 -2.096 -26.735 9 HE1 MET 1 3HE MET 1 13.156 -4.618 -27.635 10 HE2 MET 1 1HE MET 1 14.700 -4.342 -28.439 11 HE3 MET 1 2HE MET 1 13.351 -5.039 -29.336 12 H LYS 2 H LYS 2 14.816 1.985 -28.400 13 HA LYS 2 HA LYS 2 14.227 4.551 -27.293 14 HB2 LYS 2 2HB LYS 2 15.345 3.721 -29.968 15 HB3 LYS 2 3HB LYS 2 15.148 5.400 -29.479 16 HG2 LYS 2 2HG LYS 2 16.669 5.027 -27.600 17 HG3 LYS 2 3HG LYS 2 16.859 3.343 -28.092 18 HD2 LYS 2 2HD LYS 2 17.556 5.706 -29.838 19 HD3 LYS 2 3HD LYS 2 18.716 4.844 -28.829 20 HE2 LYS 2 2HE LYS 2 18.308 2.796 -30.051 21 HE3 LYS 2 3HE LYS 2 17.057 3.582 -31.008 22 HZ1 LYS 2 3HZ LYS 2 19.239 3.373 -32.139 23 HZ2 LYS 2 1HZ LYS 2 19.903 4.435 -30.995 24 HZ3 LYS 2 2HZ LYS 2 18.676 4.968 -32.039 25 H LYS 3 H LYS 3 11.848 4.032 -27.168 26 HA LYS 3 HA LYS 3 10.656 5.665 -29.229 27 HB2 LYS 3 2HB LYS 3 8.829 4.187 -29.773 28 HB3 LYS 3 3HB LYS 3 10.348 3.393 -30.140 29 HG2 LYS 3 2HG LYS 3 10.131 1.903 -28.343 30 HG3 LYS 3 3HG LYS 3 8.877 2.881 -27.574 31 HD2 LYS 3 2HD LYS 3 7.320 2.361 -29.344 32 HD3 LYS 3 3HD LYS 3 8.572 1.512 -30.246 33 HE2 LYS 3 2HE LYS 3 7.686 0.666 -27.499 34 HE3 LYS 3 3HE LYS 3 6.914 0.079 -28.971 35 HZ1 LYS 3 3HZ LYS 3 8.559 -1.488 -28.291 36 HZ2 LYS 3 1HZ LYS 3 9.751 -0.288 -28.175 37 HZ3 LYS 3 2HZ LYS 3 9.130 -0.723 -29.691 38 H MET 4 H MET 4 11.209 5.296 -26.195 39 HA MET 4 HA MET 4 8.509 6.101 -25.337 40 HB2 MET 4 2HB MET 4 9.231 3.958 -24.334 41 HB3 MET 4 3HB MET 4 10.642 4.757 -23.663 42 HG2 MET 4 2HG MET 4 9.182 6.191 -22.315 43 HG3 MET 4 3HG MET 4 7.774 5.368 -22.979 44 HE1 MET 4 3HE MET 4 8.246 1.734 -21.577 45 HE2 MET 4 1HE MET 4 8.821 2.357 -23.123 46 HE3 MET 4 2HE MET 4 7.218 2.801 -22.536 47 H ALA 5 H ALA 5 11.540 6.305 -23.560 48 HA ALA 5 HA ALA 5 12.473 8.050 -22.414 49 HB1 ALA 5 3HB ALA 5 13.535 8.167 -24.621 50 HB2 ALA 5 1HB ALA 5 13.419 9.748 -23.849 51 HB3 ALA 5 2HB ALA 5 12.301 9.315 -25.141 52 H GLU 6 H GLU 6 10.445 8.386 -21.192 53 HA GLU 6 HA GLU 6 9.011 10.825 -21.959 54 HB2 GLU 6 2HB GLU 6 7.701 8.761 -21.461 55 HB3 GLU 6 3HB GLU 6 8.308 8.820 -19.811 56 HG2 GLU 6 2HG GLU 6 7.224 10.978 -19.479 57 HG3 GLU 6 3HG GLU 6 6.635 10.941 -21.142 58 H PHE 7 H PHE 7 9.853 9.388 -18.818 59 HA PHE 7 HA PHE 7 11.254 11.859 -18.093 60 HB2 PHE 7 2HB PHE 7 9.152 10.459 -16.419 61 HB3 PHE 7 3HB PHE 7 10.262 11.668 -15.785 62 HD1 PHE 7 HD1 PHE 7 10.218 13.980 -16.881 63 HD2 PHE 7 HD2 PHE 7 7.136 11.087 -17.346 64 HE1 PHE 7 HE1 PHE 7 8.650 15.761 -17.532 65 HE2 PHE 7 HE2 PHE 7 5.565 12.858 -18.007 66 HZ PHE 7 HZ PHE 7 6.322 15.200 -18.099 67 H THR 8 H THR 8 12.863 11.558 -16.468 68 HA THR 8 HA THR 8 13.905 8.852 -16.389 69 HB THR 8 HB THR 8 15.432 10.792 -16.785 70 HG1 THR 8 HG1 THR 8 17.045 9.918 -15.576 71 HG21 THR 8 3HG2 THR 8 14.881 11.429 -13.888 72 HG22 THR 8 1HG2 THR 8 14.379 12.403 -15.270 73 HG23 THR 8 2HG2 THR 8 16.094 12.200 -14.910 74 H PHE 9 H PHE 9 14.308 7.721 -14.449 75 HA PHE 9 HA PHE 9 13.273 8.737 -11.961 76 HB2 PHE 9 2HB PHE 9 11.705 6.793 -11.656 77 HB3 PHE 9 3HB PHE 9 11.185 7.976 -12.848 78 HD1 PHE 9 HD1 PHE 9 12.442 4.568 -12.341 79 HD2 PHE 9 HD2 PHE 9 11.041 7.420 -15.173 80 HE1 PHE 9 HE1 PHE 9 12.164 2.777 -14.004 81 HE2 PHE 9 HE2 PHE 9 10.766 5.636 -16.842 82 HZ PHE 9 HZ PHE 9 11.327 3.309 -16.258 83 H GLU 10 H GLU 10 13.793 7.364 -10.156 84 HA GLU 10 HA GLU 10 15.426 5.035 -10.610 85 HB2 GLU 10 2HB GLU 10 16.941 7.017 -11.018 86 HB3 GLU 10 3HB GLU 10 16.712 7.446 -9.329 87 HG2 GLU 10 2HG GLU 10 17.763 5.427 -8.604 88 HG3 GLU 10 3HG GLU 10 17.829 4.813 -10.258 89 H ILE 11 H ILE 11 15.721 3.811 -8.759 90 HA ILE 11 HA ILE 11 13.961 4.469 -6.539 91 HB ILE 11 HB ILE 11 15.676 2.009 -6.956 92 HG12 ILE 11 2HG1 ILE 11 12.729 2.417 -7.528 93 HG13 ILE 11 3HG1 ILE 11 13.991 2.288 -8.746 94 HG21 ILE 11 1HG2 ILE 11 14.211 0.975 -5.279 95 HG22 ILE 11 2HG2 ILE 11 13.383 2.518 -5.062 96 HG23 ILE 11 3HG2 ILE 11 15.086 2.362 -4.627 97 HD11 ILE 11 3HD1 ILE 11 12.785 0.203 -8.529 98 HD12 ILE 11 1HD1 ILE 11 13.168 0.139 -6.808 99 HD13 ILE 11 2HD1 ILE 11 14.457 0.005 -8.004 100 H GLU 12 H GLU 12 14.766 5.779 -5.024 101 HA GLU 12 HA GLU 12 17.612 5.950 -4.590 102 HB2 GLU 12 2HB GLU 12 16.988 7.689 -2.899 103 HB3 GLU 12 3HB GLU 12 16.430 8.017 -4.532 104 HG2 GLU 12 2HG GLU 12 14.216 7.580 -4.001 105 HG3 GLU 12 3HG GLU 12 14.641 6.679 -2.546 106 H GLU 13 H GLU 13 14.799 4.805 -2.760 107 HA GLU 13 HA GLU 13 16.521 3.232 -1.069 108 HB2 GLU 13 2HB GLU 13 16.586 5.496 -0.033 109 HB3 GLU 13 3HB GLU 13 14.842 5.415 0.174 110 HG2 GLU 13 2HG GLU 13 16.064 4.870 2.230 111 HG3 GLU 13 3HG GLU 13 15.060 3.533 1.663 112 H HIS 14 H HIS 14 15.403 1.787 0.285 113 HA HIS 14 HA HIS 14 12.575 1.390 -0.424 114 HB2 HIS 14 2HB HIS 14 12.860 -0.969 -0.024 115 HB3 HIS 14 3HB HIS 14 14.136 -0.449 -1.110 116 HD1 HIS 14 HD1 HIS 14 16.403 0.358 0.644 117 HD2 HIS 14 HD2 HIS 14 13.871 -2.794 1.649 118 HE1 HIS 14 HE1 HIS 14 17.714 -1.097 2.215 119 HE2 HIS 14 HE2 HIS 14 16.152 -2.964 2.865 120 H LEU 15 H LEU 15 11.095 1.457 1.184 121 HA LEU 15 HA LEU 15 11.943 2.532 3.697 122 HB2 LEU 15 2HB LEU 15 9.224 1.651 2.727 123 HB3 LEU 15 3HB LEU 15 9.515 2.477 4.247 124 HG LEU 15 HG LEU 15 10.200 3.660 1.556 125 HD11 LEU 15 1HD1 LEU 15 8.184 4.993 1.778 126 HD12 LEU 15 2HD1 LEU 15 7.770 4.143 3.269 127 HD13 LEU 15 3HD1 LEU 15 7.792 3.275 1.735 128 HD21 LEU 15 3HD2 LEU 15 11.458 4.580 3.435 129 HD22 LEU 15 1HD2 LEU 15 9.954 4.876 4.307 130 HD23 LEU 15 2HD2 LEU 15 10.299 5.756 2.818 131 H LEU 16 H LEU 16 10.148 -0.425 2.826 132 HA LEU 16 HA LEU 16 11.656 -1.966 4.728 133 HB2 LEU 16 2HB LEU 16 9.785 -2.727 6.074 134 HB3 LEU 16 3HB LEU 16 9.984 -0.993 6.224 135 HG LEU 16 HG LEU 16 8.018 -1.928 4.205 136 HD11 LEU 16 1HD1 LEU 16 7.592 -3.434 6.096 137 HD12 LEU 16 2HD1 LEU 16 6.293 -2.261 5.886 138 HD13 LEU 16 3HD1 LEU 16 7.480 -2.041 7.171 139 HD21 LEU 16 3HD2 LEU 16 6.802 0.013 5.007 140 HD22 LEU 16 1HD2 LEU 16 8.466 0.454 4.628 141 HD23 LEU 16 2HD2 LEU 16 7.971 0.234 6.308 142 H THR 17 H THR 17 11.387 -4.199 4.474 143 HA THR 17 HA THR 17 10.222 -4.998 1.933 144 HB THR 17 HB THR 17 11.703 -6.711 3.941 145 HG1 THR 17 HG1 THR 17 12.722 -5.225 1.711 146 HG21 THR 17 3HG2 THR 17 11.197 -7.034 0.983 147 HG22 THR 17 1HG2 THR 17 10.442 -7.965 2.279 148 HG23 THR 17 2HG2 THR 17 12.174 -8.115 1.979 149 H LEU 18 H LEU 18 8.289 -6.014 1.774 150 HA LEU 18 HA LEU 18 6.812 -6.470 4.232 151 HB2 LEU 18 2HB LEU 18 5.969 -6.658 1.340 152 HB3 LEU 18 3HB LEU 18 4.896 -6.904 2.706 153 HG LEU 18 HG LEU 18 6.330 -4.333 2.026 154 HD11 LEU 18 1HD1 LEU 18 4.099 -3.493 1.526 155 HD12 LEU 18 2HD1 LEU 18 3.417 -5.084 1.859 156 HD13 LEU 18 3HD1 LEU 18 4.508 -4.862 0.490 157 HD21 LEU 18 3HD2 LEU 18 4.364 -4.974 4.224 158 HD22 LEU 18 1HD2 LEU 18 4.965 -3.366 3.820 159 HD23 LEU 18 2HD2 LEU 18 6.074 -4.593 4.427 160 H SER 19 H SER 19 7.595 -8.348 1.302 161 HA SER 19 HA SER 19 8.052 -10.733 2.780 162 HB2 SER 19 2HB SER 19 6.102 -11.991 1.769 163 HB3 SER 19 3HB SER 19 5.666 -10.816 3.011 164 HG SER 19 HG SER 19 4.301 -10.625 1.201 165 H GLU 20 H GLU 20 8.266 -12.642 1.278 166 HA GLU 20 HA GLU 20 8.929 -11.844 -1.476 167 HB2 GLU 20 2HB GLU 20 11.007 -12.216 -0.206 168 HB3 GLU 20 3HB GLU 20 10.440 -13.815 0.254 169 HG2 GLU 20 2HG GLU 20 10.368 -14.397 -2.173 170 HG3 GLU 20 3HG GLU 20 11.149 -12.852 -2.502 171 H ASN 21 H ASN 21 7.957 -13.050 -2.992 172 HA ASN 21 HA ASN 21 6.439 -15.389 -2.074 173 HB2 ASN 21 2HB ASN 21 6.049 -13.565 -4.449 174 HB3 ASN 21 3HB ASN 21 5.150 -15.060 -4.226 175 HD21 ASN 21 1HD2 ASN 21 5.027 -14.726 -1.316 176 HD22 ASN 21 2HD2 ASN 21 3.837 -13.501 -1.033 177 H GLU 22 H GLU 22 7.120 -17.309 -2.582 178 HA GLU 22 HA GLU 22 7.910 -19.094 -3.715 179 HB2 GLU 22 2HB GLU 22 7.322 -17.286 -6.056 180 HB3 GLU 22 3HB GLU 22 7.742 -18.988 -6.211 181 HG2 GLU 22 2HG GLU 22 5.785 -19.644 -4.998 182 HG3 GLU 22 3HG GLU 22 5.395 -17.964 -4.632 183 H LYS 23 H LYS 23 9.819 -17.097 -2.787 184 HA LYS 23 HA LYS 23 12.030 -16.619 -2.857 185 HB2 LYS 23 2HB LYS 23 12.154 -19.123 -4.539 186 HB3 LYS 23 3HB LYS 23 13.540 -18.318 -3.822 187 HG2 LYS 23 2HG LYS 23 12.580 -18.739 -1.585 188 HG3 LYS 23 3HG LYS 23 11.268 -19.637 -2.352 189 HD2 LYS 23 2HD LYS 23 12.738 -21.332 -1.790 190 HD3 LYS 23 3HD LYS 23 13.198 -20.989 -3.456 191 HE2 LYS 23 2HE LYS 23 14.587 -20.004 -0.965 192 HE3 LYS 23 3HE LYS 23 15.171 -21.243 -2.068 193 HZ1 LYS 23 3HZ LYS 23 14.918 -18.336 -2.562 194 HZ2 LYS 23 1HZ LYS 23 15.132 -19.452 -3.824 195 HZ3 LYS 23 2HZ LYS 23 16.315 -19.294 -2.621 196 H GLY 24 H GLY 24 11.817 -14.692 -4.011 197 HA2 GLY 24 2HA GLY 24 13.392 -13.956 -5.921 198 HA3 GLY 24 3HA GLY 24 12.258 -14.867 -6.907 199 H TRP 25 H TRP 25 9.827 -14.206 -6.095 200 HA TRP 25 HA TRP 25 9.596 -11.518 -7.082 201 HB2 TRP 25 2HB TRP 25 7.545 -13.502 -6.081 202 HB3 TRP 25 3HB TRP 25 7.129 -11.915 -6.716 203 HD1 TRP 25 HD1 TRP 25 8.963 -15.117 -7.939 204 HE1 TRP 25 HE1 TRP 25 8.497 -15.385 -10.461 205 HE3 TRP 25 HE3 TRP 25 6.276 -10.843 -8.708 206 HZ2 TRP 25 HZ2 TRP 25 7.146 -13.963 -12.500 207 HZ3 TRP 25 HZ3 TRP 25 5.429 -10.370 -10.967 208 HH2 TRP 25 HH2 TRP 25 5.855 -11.897 -12.825 209 H THR 26 H THR 26 10.296 -9.994 -5.691 210 HA THR 26 HA THR 26 9.656 -10.298 -2.855 211 HB THR 26 HB THR 26 11.449 -8.200 -4.074 212 HG1 THR 26 HG1 THR 26 11.847 -10.715 -4.386 213 HG21 THR 26 3HG2 THR 26 12.521 -8.271 -1.867 214 HG22 THR 26 1HG2 THR 26 11.379 -9.508 -1.347 215 HG23 THR 26 2HG2 THR 26 10.807 -7.882 -1.727 216 H LYS 27 H LYS 27 8.378 -8.883 -1.752 217 HA LYS 27 HA LYS 27 7.156 -6.716 -3.335 218 HB2 LYS 27 2HB LYS 27 5.610 -8.592 -2.843 219 HB3 LYS 27 3HB LYS 27 5.893 -8.359 -1.126 220 HG2 LYS 27 2HG LYS 27 4.781 -6.278 -1.125 221 HG3 LYS 27 3HG LYS 27 4.766 -6.203 -2.888 222 HD2 LYS 27 2HD LYS 27 2.563 -6.803 -2.059 223 HD3 LYS 27 3HD LYS 27 3.269 -8.158 -2.940 224 HE2 LYS 27 2HE LYS 27 3.955 -9.149 -0.776 225 HE3 LYS 27 3HE LYS 27 3.142 -7.822 0.054 226 HZ1 LYS 27 3HZ LYS 27 1.740 -9.784 -0.030 227 HZ2 LYS 27 1HZ LYS 27 1.841 -9.819 -1.720 228 HZ3 LYS 27 2HZ LYS 27 1.049 -8.537 -0.952 229 H GLU 28 H GLU 28 7.738 -4.787 -2.636 230 HA GLU 28 HA GLU 28 8.214 -4.380 0.233 231 HB2 GLU 28 2HB GLU 28 10.089 -3.487 -1.963 232 HB3 GLU 28 3HB GLU 28 10.265 -3.123 -0.254 233 HG2 GLU 28 2HG GLU 28 10.500 -5.547 0.188 234 HG3 GLU 28 3HG GLU 28 10.449 -5.829 -1.552 235 H ILE 29 H ILE 29 8.464 -2.050 0.743 236 HA ILE 29 HA ILE 29 6.972 -0.323 -1.124 237 HB ILE 29 HB ILE 29 7.205 0.007 1.877 238 HG12 ILE 29 2HG1 ILE 29 4.834 -0.917 0.233 239 HG13 ILE 29 3HG1 ILE 29 5.820 -1.951 1.262 240 HG21 ILE 29 1HG2 ILE 29 6.957 2.103 0.625 241 HG22 ILE 29 2HG2 ILE 29 5.542 1.756 1.619 242 HG23 ILE 29 3HG2 ILE 29 5.488 1.473 -0.122 243 HD11 ILE 29 3HD1 ILE 29 4.115 0.353 2.184 244 HD12 ILE 29 1HD1 ILE 29 5.105 -0.674 3.219 245 HD13 ILE 29 2HD1 ILE 29 3.734 -1.361 2.348 246 H ASN 30 H ASN 30 8.267 1.118 -2.091 247 HA ASN 30 HA ASN 30 10.688 1.985 -0.655 248 HB2 ASN 30 2HB ASN 30 12.041 1.689 -2.630 249 HB3 ASN 30 3HB ASN 30 11.226 0.170 -2.279 250 HD21 ASN 30 1HD2 ASN 30 11.520 2.825 -4.467 251 HD22 ASN 30 2HD2 ASN 30 10.560 2.156 -5.736 252 H ARG 31 H ARG 31 11.798 3.750 -2.178 253 HA ARG 31 HA ARG 31 9.696 5.666 -2.956 254 HB2 ARG 31 2HB ARG 31 12.359 6.103 -1.605 255 HB3 ARG 31 3HB ARG 31 11.447 7.411 -2.347 256 HG2 ARG 31 2HG ARG 31 9.752 7.297 -0.777 257 HG3 ARG 31 3HG ARG 31 10.159 5.648 -0.304 258 HD2 ARG 31 2HD ARG 31 10.763 7.323 1.409 259 HD3 ARG 31 3HD ARG 31 12.146 6.407 0.821 260 HE ARG 31 HE ARG 31 12.732 8.379 -0.533 261 HH11 ARG 31 1HH1 ARG 31 10.558 8.813 2.190 262 HH12 ARG 31 2HH1 ARG 31 10.997 10.479 2.434 263 HH21 ARG 31 1HH2 ARG 31 13.296 10.554 -0.222 264 HH22 ARG 31 2HH2 ARG 31 12.545 11.464 1.056 265 H VAL 32 H VAL 32 9.699 6.227 -5.041 266 HA VAL 32 HA VAL 32 12.225 5.987 -6.555 267 HB VAL 32 HB VAL 32 9.415 5.812 -7.665 268 HG11 VAL 32 1HG1 VAL 32 10.516 5.112 -9.735 269 HG12 VAL 32 2HG1 VAL 32 12.091 5.361 -8.980 270 HG13 VAL 32 3HG1 VAL 32 11.018 6.734 -9.255 271 HG21 VAL 32 3HG2 VAL 32 9.933 3.443 -8.074 272 HG22 VAL 32 1HG2 VAL 32 9.913 3.835 -6.354 273 HG23 VAL 32 2HG2 VAL 32 11.449 3.638 -7.196 274 H SER 33 H SER 33 13.003 7.792 -7.480 275 HA SER 33 HA SER 33 11.438 10.240 -7.237 276 HB2 SER 33 2HB SER 33 14.339 9.865 -8.023 277 HB3 SER 33 3HB SER 33 13.548 11.402 -7.674 278 HG SER 33 HG SER 33 14.761 10.455 -5.893 279 H PHE 34 H PHE 34 10.170 10.743 -8.884 280 HA PHE 34 HA PHE 34 10.952 10.008 -11.612 281 HB2 PHE 34 2HB PHE 34 8.312 11.033 -10.540 282 HB3 PHE 34 3HB PHE 34 8.617 10.555 -12.205 283 HD1 PHE 34 HD2 PHE 34 8.919 8.204 -12.787 284 HD2 PHE 34 HD1 PHE 34 7.961 9.405 -8.816 285 HE1 PHE 34 HE2 PHE 34 8.247 5.897 -12.255 286 HE2 PHE 34 HE1 PHE 34 7.287 7.102 -8.277 287 HZ PHE 34 HZ PHE 34 7.427 5.345 -10.002 288 H ASN 35 H ASN 35 11.619 11.487 -13.033 289 HA ASN 35 HA ASN 35 11.862 13.432 -14.181 290 HB2 ASN 35 2HB ASN 35 9.488 13.877 -13.807 291 HB3 ASN 35 3HB ASN 35 9.846 14.565 -12.227 292 HD21 ASN 35 1HD2 ASN 35 11.710 15.079 -15.187 293 HD22 ASN 35 2HD2 ASN 35 11.370 16.777 -15.307 294 H GLY 36 H GLY 36 11.961 13.712 -10.677 295 HA2 GLY 36 2HA GLY 36 14.385 14.547 -10.107 296 HA3 GLY 36 3HA GLY 36 13.763 16.010 -10.857 297 H ALA 37 H ALA 37 11.152 14.624 -9.468 298 HA ALA 37 HA ALA 37 10.973 16.438 -7.307 299 HB1 ALA 37 3HB ALA 37 9.004 15.530 -8.437 300 HB2 ALA 37 1HB ALA 37 8.951 15.182 -6.709 301 HB3 ALA 37 2HB ALA 37 9.398 13.915 -7.850 302 HA PRO 38 HA PRO 38 13.024 14.260 -4.032 303 HB2 PRO 38 2HB PRO 38 10.903 14.978 -2.141 304 HB3 PRO 38 3HB PRO 38 12.577 15.535 -2.208 305 HG2 PRO 38 2HG PRO 38 10.519 17.156 -2.820 306 HG3 PRO 38 3HG PRO 38 12.085 17.271 -3.645 307 HD2 PRO 38 2HD PRO 38 9.551 15.954 -4.570 308 HD3 PRO 38 3HD PRO 38 10.671 16.997 -5.474 309 H ALA 39 H ALA 39 11.687 12.453 -5.497 310 HA ALA 39 HA ALA 39 11.064 10.284 -5.450 311 HB1 ALA 39 3HB ALA 39 11.269 10.472 -2.455 312 HB2 ALA 39 1HB ALA 39 12.606 10.112 -3.545 313 HB3 ALA 39 2HB ALA 39 11.241 8.998 -3.422 314 H LYS 40 H LYS 40 9.313 8.886 -5.113 315 HA LYS 40 HA LYS 40 6.956 10.032 -3.772 316 HB2 LYS 40 2HB LYS 40 6.925 9.982 -6.367 317 HB3 LYS 40 3HB LYS 40 6.787 8.238 -6.195 318 HG2 LYS 40 2HG LYS 40 4.607 9.224 -6.523 319 HG3 LYS 40 3HG LYS 40 4.722 8.542 -4.900 320 HD2 LYS 40 2HD LYS 40 3.641 10.693 -4.772 321 HD3 LYS 40 3HD LYS 40 5.240 10.811 -4.036 322 HE2 LYS 40 2HE LYS 40 6.077 11.693 -6.229 323 HE3 LYS 40 3HE LYS 40 4.403 11.763 -6.771 324 HZ1 LYS 40 3HZ LYS 40 5.025 13.904 -5.978 325 HZ2 LYS 40 1HZ LYS 40 5.627 13.269 -4.523 326 HZ3 LYS 40 2HZ LYS 40 3.962 13.238 -4.832 327 H PHE 41 H PHE 41 5.351 8.110 -3.302 328 HA PHE 41 HA PHE 41 6.999 6.041 -2.060 329 HB2 PHE 41 2HB PHE 41 4.141 6.848 -1.495 330 HB3 PHE 41 3HB PHE 41 5.067 5.650 -0.594 331 HD1 PHE 41 HD1 PHE 41 7.120 6.401 0.654 332 HD2 PHE 41 HD2 PHE 41 4.312 9.137 -0.997 333 HE1 PHE 41 HE1 PHE 41 7.989 8.170 2.120 334 HE2 PHE 41 HE2 PHE 41 5.179 10.914 0.471 335 HZ PHE 41 HZ PHE 41 7.018 10.429 2.034 336 H ASP 42 H ASP 42 7.075 4.100 -2.886 337 HA ASP 42 HA ASP 42 4.971 3.262 -4.775 338 HB2 ASP 42 2HB ASP 42 7.960 2.862 -4.834 339 HB3 ASP 42 3HB ASP 42 6.868 1.875 -5.795 340 H ILE 43 H ILE 43 3.832 1.574 -4.054 341 HA ILE 43 HA ILE 43 5.178 -0.458 -2.397 342 HB ILE 43 HB ILE 43 2.238 -0.245 -3.114 343 HG12 ILE 43 2HG1 ILE 43 3.668 0.489 -0.544 344 HG13 ILE 43 3HG1 ILE 43 2.980 1.631 -1.694 345 HG21 ILE 43 1HG2 ILE 43 2.963 -2.524 -2.622 346 HG22 ILE 43 2HG2 ILE 43 1.918 -1.904 -1.344 347 HG23 ILE 43 3HG2 ILE 43 3.663 -1.984 -1.096 348 HD11 ILE 43 3HD1 ILE 43 0.750 0.726 -1.238 349 HD12 ILE 43 1HD1 ILE 43 1.527 1.351 0.216 350 HD13 ILE 43 2HD1 ILE 43 1.454 -0.388 -0.067 351 H ARG 44 H ARG 44 6.142 -2.038 -3.571 352 HA ARG 44 HA ARG 44 4.948 -2.753 -6.159 353 HB2 ARG 44 2HB ARG 44 6.514 -1.032 -6.687 354 HB3 ARG 44 3HB ARG 44 7.751 -1.757 -5.677 355 HG2 ARG 44 2HG ARG 44 7.881 -3.657 -7.224 356 HG3 ARG 44 3HG ARG 44 6.663 -2.887 -8.246 357 HD2 ARG 44 2HD ARG 44 9.272 -1.578 -7.501 358 HD3 ARG 44 3HD ARG 44 9.059 -2.548 -8.956 359 HE ARG 44 HE ARG 44 7.692 -0.883 -9.867 360 HH11 ARG 44 1HH1 ARG 44 8.834 0.002 -6.663 361 HH12 ARG 44 2HH1 ARG 44 8.349 1.658 -6.819 362 HH21 ARG 44 1HH2 ARG 44 7.082 1.304 -10.060 363 HH22 ARG 44 2HH2 ARG 44 7.329 2.402 -8.731 364 H ALA 45 H ALA 45 5.154 -4.813 -6.755 365 HA ALA 45 HA ALA 45 6.947 -6.559 -5.194 366 HB1 ALA 45 3HB ALA 45 4.591 -7.179 -4.982 367 HB2 ALA 45 1HB ALA 45 5.487 -8.414 -5.864 368 HB3 ALA 45 2HB ALA 45 4.451 -7.284 -6.737 369 H TRP 46 H TRP 46 8.778 -6.938 -6.308 370 HA TRP 46 HA TRP 46 8.609 -6.794 -9.236 371 HB2 TRP 46 2HB TRP 46 11.015 -6.146 -9.177 372 HB3 TRP 46 3HB TRP 46 9.941 -4.992 -8.400 373 HD1 TRP 46 HD1 TRP 46 9.993 -4.985 -5.633 374 HE1 TRP 46 HE1 TRP 46 11.961 -5.470 -4.036 375 HE3 TRP 46 HE3 TRP 46 13.061 -7.493 -8.868 376 HZ2 TRP 46 HZ2 TRP 46 14.475 -6.746 -4.149 377 HZ3 TRP 46 HZ3 TRP 46 15.228 -8.310 -8.044 378 HH2 TRP 46 HH2 TRP 46 15.919 -7.943 -5.734 379 H SER 47 H SER 47 9.710 -8.220 -10.515 380 HA SER 47 HA SER 47 9.994 -10.867 -9.399 381 HB2 SER 47 2HB SER 47 8.843 -10.313 -11.604 382 HB3 SER 47 3HB SER 47 10.441 -9.974 -12.261 383 HG SER 47 HG SER 47 9.475 -12.439 -11.247 384 HA PRO 48 HA PRO 48 14.320 -10.974 -8.651 385 HB2 PRO 48 2HB PRO 48 14.997 -13.336 -9.981 386 HB3 PRO 48 3HB PRO 48 14.424 -13.212 -8.316 387 HG2 PRO 48 2HG PRO 48 12.906 -13.866 -10.802 388 HG3 PRO 48 3HG PRO 48 12.731 -14.536 -9.168 389 HD2 PRO 48 2HD PRO 48 10.991 -12.751 -10.111 390 HD3 PRO 48 3HD PRO 48 11.518 -12.698 -8.414 391 H ASP 49 H ASP 49 16.017 -10.028 -9.526 392 HA ASP 49 HA ASP 49 17.506 -9.176 -11.000 393 HB2 ASP 49 2HB ASP 49 16.500 -11.458 -12.696 394 HB3 ASP 49 3HB ASP 49 17.746 -10.345 -13.256 395 H HIS 50 H HIS 50 14.507 -8.527 -11.015 396 HA HIS 50 HA HIS 50 13.048 -7.174 -12.110 397 HB2 HIS 50 2HB HIS 50 14.020 -4.922 -12.626 398 HB3 HIS 50 3HB HIS 50 14.359 -5.531 -11.014 399 HD1 HIS 50 HD1 HIS 50 16.031 -4.650 -14.257 400 HD2 HIS 50 HD2 HIS 50 17.072 -6.005 -10.464 401 HE1 HIS 50 HE1 HIS 50 18.527 -4.413 -14.113 402 HE2 HIS 50 HE2 HIS 50 19.150 -5.445 -11.906 403 H THR 51 H THR 51 12.904 -8.867 -13.859 404 HA THR 51 HA THR 51 13.491 -7.545 -16.427 405 HB THR 51 HB THR 51 13.487 -10.538 -15.981 406 HG1 THR 51 HG1 THR 51 15.334 -8.934 -15.210 407 HG21 THR 51 3HG2 THR 51 12.862 -9.851 -18.246 408 HG22 THR 51 1HG2 THR 51 14.452 -10.616 -18.234 409 HG23 THR 51 2HG2 THR 51 14.319 -8.862 -18.354 410 H LYS 52 H LYS 52 11.390 -9.771 -14.654 411 HA LYS 52 HA LYS 52 9.333 -9.652 -16.687 412 HB2 LYS 52 2HB LYS 52 9.415 -10.942 -13.955 413 HB3 LYS 52 3HB LYS 52 8.051 -11.060 -15.061 414 HG2 LYS 52 2HG LYS 52 9.445 -12.175 -16.702 415 HG3 LYS 52 3HG LYS 52 10.848 -12.014 -15.646 416 HD2 LYS 52 2HD LYS 52 9.783 -13.424 -13.977 417 HD3 LYS 52 3HD LYS 52 8.337 -13.544 -14.981 418 HE2 LYS 52 2HE LYS 52 9.603 -14.669 -16.719 419 HE3 LYS 52 3HE LYS 52 11.086 -14.487 -15.783 420 HZ1 LYS 52 3HZ LYS 52 10.284 -15.975 -14.147 421 HZ2 LYS 52 1HZ LYS 52 10.014 -16.713 -15.651 422 HZ3 LYS 52 2HZ LYS 52 8.722 -16.000 -14.814 423 H MET 53 H MET 53 7.012 -9.564 -15.161 424 HA MET 53 HA MET 53 6.708 -6.731 -15.065 425 HB2 MET 53 2HB MET 53 4.801 -8.942 -14.294 426 HB3 MET 53 3HB MET 53 4.370 -7.240 -14.373 427 HG2 MET 53 2HG MET 53 4.932 -7.233 -16.766 428 HG3 MET 53 3HG MET 53 5.285 -8.958 -16.668 429 HE1 MET 53 3HE MET 53 3.315 -7.827 -18.802 430 HE2 MET 53 1HE MET 53 1.939 -8.924 -18.678 431 HE3 MET 53 2HE MET 53 3.582 -9.558 -18.607 432 H GLY 54 H GLY 54 7.239 -5.470 -13.444 433 HA2 GLY 54 2HA GLY 54 7.038 -6.489 -10.688 434 HA3 GLY 54 3HA GLY 54 7.993 -5.097 -11.192 435 H LYS 55 H LYS 55 4.738 -6.288 -10.644 436 HA LYS 55 HA LYS 55 3.449 -3.819 -11.281 437 HB2 LYS 55 2HB LYS 55 1.441 -4.905 -10.252 438 HB3 LYS 55 3HB LYS 55 2.190 -5.844 -11.535 439 HG2 LYS 55 2HG LYS 55 3.333 -7.202 -9.811 440 HG3 LYS 55 3HG LYS 55 2.452 -6.307 -8.573 441 HD2 LYS 55 2HD LYS 55 0.349 -7.111 -9.418 442 HD3 LYS 55 3HD LYS 55 1.149 -7.882 -10.789 443 HE2 LYS 55 2HE LYS 55 1.574 -8.602 -7.891 444 HE3 LYS 55 3HE LYS 55 0.543 -9.484 -9.016 445 HZ1 LYS 55 3HZ LYS 55 3.472 -9.087 -9.356 446 HZ2 LYS 55 1HZ LYS 55 2.460 -10.016 -10.352 447 HZ3 LYS 55 2HZ LYS 55 2.749 -10.498 -8.753 448 H GLY 56 H GLY 56 2.323 -2.437 -9.829 449 HA2 GLY 56 2HA GLY 56 2.567 -2.551 -7.030 450 HA3 GLY 56 3HA GLY 56 3.851 -1.540 -7.685 451 H ILE 57 H ILE 57 2.492 -0.081 -6.186 452 HA ILE 57 HA ILE 57 0.768 1.501 -7.929 453 HB ILE 57 HB ILE 57 -0.745 0.037 -6.632 454 HG12 ILE 57 2HG1 ILE 57 -0.920 2.917 -5.728 455 HG13 ILE 57 3HG1 ILE 57 -1.415 2.339 -7.317 456 HG21 ILE 57 1HG2 ILE 57 0.460 1.398 -4.230 457 HG22 ILE 57 2HG2 ILE 57 0.583 -0.312 -4.651 458 HG23 ILE 57 3HG2 ILE 57 -0.977 0.377 -4.202 459 HD11 ILE 57 3HD1 ILE 57 -3.312 2.610 -5.807 460 HD12 ILE 57 1HD1 ILE 57 -2.591 1.447 -4.693 461 HD13 ILE 57 2HD1 ILE 57 -3.104 0.929 -6.300 462 H THR 58 H THR 58 0.848 3.699 -7.507 463 HA THR 58 HA THR 58 2.984 4.521 -5.690 464 HB THR 58 HB THR 58 2.717 6.745 -6.941 465 HG1 THR 58 HG1 THR 58 1.802 6.338 -9.115 466 HG21 THR 58 3HG2 THR 58 3.612 4.286 -8.441 467 HG22 THR 58 1HG2 THR 58 4.586 5.239 -7.324 468 HG23 THR 58 2HG2 THR 58 4.047 5.946 -8.847 469 H LEU 59 H LEU 59 2.714 6.027 -4.100 470 HA LEU 59 HA LEU 59 -0.050 6.925 -3.573 471 HB2 LEU 59 2HB LEU 59 2.074 6.310 -1.514 472 HB3 LEU 59 3HB LEU 59 0.414 6.771 -1.196 473 HG LEU 59 HG LEU 59 1.262 4.189 -2.519 474 HD11 LEU 59 1HD1 LEU 59 0.329 4.745 0.295 475 HD12 LEU 59 2HD1 LEU 59 1.947 4.237 -0.191 476 HD13 LEU 59 3HD1 LEU 59 0.580 3.145 -0.404 477 HD21 LEU 59 3HD2 LEU 59 -1.069 3.527 -2.137 478 HD22 LEU 59 1HD2 LEU 59 -0.945 4.908 -3.224 479 HD23 LEU 59 2HD2 LEU 59 -1.425 5.149 -1.546 480 H SER 60 H SER 60 -0.323 9.089 -3.283 481 HA SER 60 HA SER 60 1.881 10.878 -3.608 482 HB2 SER 60 2HB SER 60 -0.456 11.387 -4.344 483 HB3 SER 60 3HB SER 60 -0.931 11.487 -2.650 484 HG SER 60 HG SER 60 -0.474 13.550 -3.528 485 H ASN 61 H ASN 61 2.489 12.533 -1.984 486 HA ASN 61 HA ASN 61 3.403 11.330 0.354 487 HB2 ASN 61 2HB ASN 61 4.398 13.349 -0.667 488 HB3 ASN 61 3HB ASN 61 3.005 14.288 -0.143 489 HD21 ASN 61 1HD2 ASN 61 2.796 14.830 2.023 490 HD22 ASN 61 2HD2 ASN 61 4.090 14.644 3.153 491 H GLU 62 H GLU 62 0.685 13.599 -0.042 492 HA GLU 62 HA GLU 62 -0.093 13.627 2.656 493 HB2 GLU 62 2HB GLU 62 -0.818 15.276 0.952 494 HB3 GLU 62 3HB GLU 62 -1.828 14.041 0.215 495 HG2 GLU 62 2HG GLU 62 -3.207 13.924 2.176 496 HG3 GLU 62 3HG GLU 62 -2.136 15.023 3.043 497 H GLU 63 H GLU 63 -1.080 11.547 -0.038 498 HA GLU 63 HA GLU 63 -3.127 10.150 1.309 499 HB2 GLU 63 2HB GLU 63 -1.310 9.091 -0.863 500 HB3 GLU 63 3HB GLU 63 -2.884 8.454 -0.417 501 HG2 GLU 63 2HG GLU 63 -3.916 10.563 -1.141 502 HG3 GLU 63 3HG GLU 63 -2.327 11.136 -1.651 503 H PHE 64 H PHE 64 0.318 9.530 0.908 504 HA PHE 64 HA PHE 64 0.491 7.072 2.217 505 HB2 PHE 64 2HB PHE 64 2.258 8.348 0.838 506 HB3 PHE 64 3HB PHE 64 2.634 9.192 2.334 507 HD1 PHE 64 HD1 PHE 64 2.537 5.872 0.729 508 HD2 PHE 64 HD2 PHE 64 4.006 8.201 3.967 509 HE1 PHE 64 HE1 PHE 64 4.074 4.051 1.334 510 HE2 PHE 64 HE2 PHE 64 5.537 6.381 4.585 511 HZ PHE 64 HZ PHE 64 5.577 4.306 3.266 512 H GLN 65 H GLN 65 0.973 10.367 3.495 513 HA GLN 65 HA GLN 65 1.390 9.667 6.168 514 HB2 GLN 65 2HB GLN 65 1.878 11.899 5.385 515 HB3 GLN 65 3HB GLN 65 0.193 12.168 4.961 516 HG2 GLN 65 2HG GLN 65 0.787 13.329 7.012 517 HG3 GLN 65 3HG GLN 65 -0.429 12.089 7.312 518 HE21 GLN 65 1HE2 GLN 65 0.046 11.879 9.461 519 HE22 GLN 65 2HE2 GLN 65 1.510 11.149 10.032 520 H THR 66 H THR 66 -1.593 10.286 4.395 521 HA THR 66 HA THR 66 -3.421 10.356 6.470 522 HB THR 66 HB THR 66 -3.803 9.189 3.701 523 HG1 THR 66 HG1 THR 66 -3.154 11.367 3.648 524 HG21 THR 66 3HG2 THR 66 -5.596 8.502 5.220 525 HG22 THR 66 1HG2 THR 66 -6.182 9.663 4.027 526 HG23 THR 66 2HG2 THR 66 -5.855 10.186 5.681 527 H MET 67 H MET 67 -2.365 7.476 4.623 528 HA MET 67 HA MET 67 -3.886 5.665 6.187 529 HB2 MET 67 2HB MET 67 -2.784 3.917 5.023 530 HB3 MET 67 3HB MET 67 -2.950 5.230 3.865 531 HG2 MET 67 2HG MET 67 -0.643 5.853 4.186 532 HG3 MET 67 3HG MET 67 -0.458 4.626 5.437 533 HE1 MET 67 3HE MET 67 1.766 3.105 2.712 534 HE2 MET 67 1HE MET 67 1.567 3.407 4.438 535 HE3 MET 67 2HE MET 67 1.637 4.761 3.314 536 H VAL 68 H VAL 68 -0.615 6.934 6.424 537 HA VAL 68 HA VAL 68 0.436 5.060 8.201 538 HB VAL 68 HB VAL 68 1.167 7.934 7.687 539 HG11 VAL 68 1HG1 VAL 68 3.218 7.560 8.989 540 HG12 VAL 68 2HG1 VAL 68 2.597 5.990 9.506 541 HG13 VAL 68 3HG1 VAL 68 1.776 7.469 10.003 542 HG21 VAL 68 3HG2 VAL 68 1.651 6.394 5.893 543 HG22 VAL 68 1HG2 VAL 68 2.452 5.291 7.013 544 HG23 VAL 68 2HG2 VAL 68 3.161 6.869 6.672 545 H ASP 69 H ASP 69 -1.075 8.234 8.945 546 HA ASP 69 HA ASP 69 -0.805 7.798 11.754 547 HB2 ASP 69 2HB ASP 69 -2.043 9.819 12.079 548 HB3 ASP 69 3HB ASP 69 -0.980 10.069 10.701 549 H ALA 70 H ALA 70 -3.328 7.178 9.413 550 HA ALA 70 HA ALA 70 -5.419 6.655 11.239 551 HB1 ALA 70 3HB ALA 70 -5.764 7.089 8.835 552 HB2 ALA 70 1HB ALA 70 -6.565 5.620 9.389 553 HB3 ALA 70 2HB ALA 70 -5.061 5.511 8.473 554 H PHE 71 H PHE 71 -3.214 4.429 9.515 555 HA PHE 71 HA PHE 71 -4.121 2.151 11.006 556 HB2 PHE 71 2HB PHE 71 -1.709 2.533 9.228 557 HB3 PHE 71 3HB PHE 71 -2.148 1.001 9.971 558 HD1 PHE 71 HD2 PHE 71 -4.849 0.506 9.570 559 HD2 PHE 71 HD1 PHE 71 -2.219 2.681 7.023 560 HE1 PHE 71 HE2 PHE 71 -6.302 0.007 7.641 561 HE2 PHE 71 HE1 PHE 71 -3.668 2.192 5.103 562 HZ PHE 71 HZ PHE 71 -5.707 0.853 5.408 563 H LYS 72 H LYS 72 -1.839 4.647 11.563 564 HA LYS 72 HA LYS 72 -0.211 3.381 13.496 565 HB2 LYS 72 2HB LYS 72 0.251 5.608 12.475 566 HB3 LYS 72 3HB LYS 72 -1.083 6.279 13.399 567 HG2 LYS 72 2HG LYS 72 0.081 5.813 15.469 568 HG3 LYS 72 3HG LYS 72 1.390 5.032 14.578 569 HD2 LYS 72 2HD LYS 72 1.794 7.174 13.398 570 HD3 LYS 72 3HD LYS 72 0.573 7.931 14.419 571 HE2 LYS 72 2HE LYS 72 3.106 6.615 15.393 572 HE3 LYS 72 3HE LYS 72 2.854 8.351 15.225 573 HZ1 LYS 72 3HZ LYS 72 1.108 8.239 16.867 574 HZ2 LYS 72 1HZ LYS 72 2.545 7.600 17.502 575 HZ3 LYS 72 2HZ LYS 72 1.302 6.562 17.007 576 H GLY 73 H GLY 73 -3.391 4.763 13.534 577 HA2 GLY 73 2HA GLY 73 -3.688 4.714 16.394 578 HA3 GLY 73 3HA GLY 73 -4.960 4.992 15.217 579 H ASN 74 H ASN 74 -5.175 2.774 13.792 580 HA ASN 74 HA ASN 74 -6.185 0.935 15.824 581 HB2 ASN 74 2HB ASN 74 -7.490 1.948 13.763 582 HB3 ASN 74 3HB ASN 74 -6.739 0.615 12.897 583 HD21 ASN 74 1HD2 ASN 74 -9.542 1.108 13.433 584 HD22 ASN 74 2HD2 ASN 74 -10.117 -0.281 14.299 585 H LEU 75 H LEU 75 -6.284 -1.451 14.823 586 HA LEU 75 HA LEU 75 -5.197 -3.388 14.398 587 HB2 LEU 75 2HB LEU 75 -4.923 -2.141 12.172 588 HB3 LEU 75 3HB LEU 75 -3.273 -1.837 12.683 589 HG LEU 75 HG LEU 75 -2.873 -4.267 12.811 590 HD11 LEU 75 1HD1 LEU 75 -5.659 -4.486 11.675 591 HD12 LEU 75 2HD1 LEU 75 -5.145 -5.000 13.283 592 HD13 LEU 75 3HD1 LEU 75 -4.508 -5.812 11.851 593 HD21 LEU 75 3HD2 LEU 75 -2.889 -4.690 10.394 594 HD22 LEU 75 1HD2 LEU 75 -2.306 -3.071 10.778 595 HD23 LEU 75 2HD2 LEU 75 -3.945 -3.295 10.165 596 H GLU 76 H GLU 76 -2.808 -4.378 14.301 597 HA GLU 76 HA GLU 76 -0.876 -4.845 15.361 598 HB2 GLU 76 2HB GLU 76 -0.025 -2.708 14.791 599 HB3 GLU 76 3HB GLU 76 -1.008 -1.907 16.003 600 HG2 GLU 76 2HG GLU 76 0.910 -3.884 17.031 601 HG3 GLU 76 3HG GLU 76 1.605 -2.441 16.285 602 H HIS 77 H HIS 77 -2.850 -2.765 17.508 603 HA HIS 77 HA HIS 77 -2.822 -5.019 19.401 604 HB2 HIS 77 2HB HIS 77 -3.175 -3.371 21.253 605 HB3 HIS 77 3HB HIS 77 -1.608 -3.246 20.474 606 HD1 HIS 77 HD1 HIS 77 -1.077 -1.075 19.204 607 HD2 HIS 77 HD2 HIS 77 -4.847 -1.126 20.962 608 HE1 HIS 77 HE1 HIS 77 -1.902 1.296 19.112 609 HE2 HIS 77 HE2 HIS 77 -4.244 1.218 20.040 610 H HIS 78 H HIS 78 -4.618 -5.911 18.409 611 HA HIS 78 HA HIS 78 -7.150 -4.675 19.124 612 HB2 HIS 78 2HB HIS 78 -6.423 -3.831 16.811 613 HB3 HIS 78 3HB HIS 78 -6.695 -5.474 16.249 614 HD1 HIS 78 HD1 HIS 78 -8.800 -5.403 14.942 615 HD2 HIS 78 HD2 HIS 78 -9.073 -3.217 18.473 616 HE1 HIS 78 HE1 HIS 78 -11.183 -4.594 15.061 617 HE2 HIS 78 HE2 HIS 78 -11.292 -3.161 17.136 618 H HIS 79 H HIS 79 -5.285 -7.217 19.260 619 HA HIS 79 HA HIS 79 -7.518 -9.135 19.057 620 HB2 HIS 79 2HB HIS 79 -4.606 -9.541 18.387 621 HB3 HIS 79 3HB HIS 79 -5.671 -10.886 18.754 622 HD1 HIS 79 HD1 HIS 79 -7.925 -10.899 17.094 623 HD2 HIS 79 HD2 HIS 79 -4.473 -8.994 15.766 624 HE1 HIS 79 HE1 HIS 79 -8.115 -10.814 14.586 625 HE2 HIS 79 HE2 HIS 79 -5.896 -9.905 13.808 626 H HIS 80 H HIS 80 -8.096 -9.018 21.222 627 HA HIS 80 HA HIS 80 -6.322 -10.595 22.882 628 HB2 HIS 80 2HB HIS 80 -6.655 -9.151 24.883 629 HB3 HIS 80 3HB HIS 80 -5.658 -8.425 23.634 630 HD1 HIS 80 HD1 HIS 80 -8.862 -8.008 25.477 631 HD2 HIS 80 HD2 HIS 80 -6.759 -6.152 22.406 632 HE1 HIS 80 HE1 HIS 80 -9.936 -5.754 25.180 633 HE2 HIS 80 HE2 HIS 80 -8.447 -4.556 23.538 634 H HIS 81 H HIS 81 -7.360 -12.180 23.720 635 HA HIS 81 HA HIS 81 -10.192 -12.407 23.349 636 HB2 HIS 81 2HB HIS 81 -8.555 -14.275 23.043 637 HB3 HIS 81 3HB HIS 81 -8.300 -14.284 24.782 638 HD1 HIS 81 HD1 HIS 81 -10.753 -15.265 22.139 639 HD2 HIS 81 HD2 HIS 81 -10.362 -15.468 26.280 640 HE1 HIS 81 HE1 HIS 81 -12.548 -16.851 22.916 641 HE2 HIS 81 HE2 HIS 81 -12.368 -16.874 25.435 642 H HIS 82 H HIS 82 -11.794 -12.395 24.856 643 HA HIS 82 HA HIS 82 -11.091 -11.311 27.477 644 HB2 HIS 82 2HB HIS 82 -13.737 -11.511 26.026 645 HB3 HIS 82 3HB HIS 82 -13.571 -10.905 27.669 646 HD1 HIS 82 HD1 HIS 82 -13.065 -8.470 27.919 647 HD2 HIS 82 HD2 HIS 82 -12.366 -9.857 24.058 648 HE1 HIS 82 HE1 HIS 82 -12.569 -6.424 26.539 649 HE2 HIS 82 HE2 HIS 82 -12.386 -7.271 24.169 650 H1 MET 1 1H MET 1 -4.749 -23.841 -24.038 651 H2 MET 1 2H MET 1 -4.257 -25.364 -23.477 652 H3 MET 1 3H MET 1 -3.121 -24.303 -24.152 653 HA MET 1 HA MET 1 -2.983 -24.404 -21.725 654 HB2 MET 1 2HB MET 1 -2.927 -21.992 -21.365 655 HB3 MET 1 3HB MET 1 -2.259 -22.396 -22.938 656 HG2 MET 1 2HG MET 1 -4.266 -21.676 -24.039 657 HG3 MET 1 3HG MET 1 -5.065 -21.414 -22.491 658 HE1 MET 1 3HE MET 1 -4.587 -17.780 -23.911 659 HE2 MET 1 1HE MET 1 -5.747 -18.996 -23.372 660 HE3 MET 1 2HE MET 1 -4.863 -19.228 -24.880 661 H LYS 2 H LYS 2 -5.834 -25.093 -22.598 662 HA LYS 2 HA LYS 2 -7.930 -25.191 -21.776 663 HB2 LYS 2 2HB LYS 2 -6.592 -24.531 -19.151 664 HB3 LYS 2 3HB LYS 2 -8.218 -25.164 -19.333 665 HG2 LYS 2 2HG LYS 2 -7.149 -27.163 -20.466 666 HG3 LYS 2 3HG LYS 2 -5.608 -26.540 -19.872 667 HD2 LYS 2 2HD LYS 2 -6.644 -26.511 -17.573 668 HD3 LYS 2 3HD LYS 2 -7.998 -27.406 -18.260 669 HE2 LYS 2 2HE LYS 2 -6.638 -29.073 -17.373 670 HE3 LYS 2 3HE LYS 2 -6.212 -29.063 -19.084 671 HZ1 LYS 2 3HZ LYS 2 -4.199 -29.137 -17.882 672 HZ2 LYS 2 1HZ LYS 2 -4.681 -27.903 -16.824 673 HZ3 LYS 2 2HZ LYS 2 -4.333 -27.543 -18.440 674 H LYS 3 H LYS 3 -7.429 -22.995 -19.206 675 HA LYS 3 HA LYS 3 -8.128 -20.571 -20.478 676 HB2 LYS 3 2HB LYS 3 -10.283 -21.879 -20.692 677 HB3 LYS 3 3HB LYS 3 -10.356 -21.926 -18.936 678 HG2 LYS 3 2HG LYS 3 -11.779 -20.176 -19.638 679 HG3 LYS 3 3HG LYS 3 -10.332 -19.414 -18.972 680 HD2 LYS 3 2HD LYS 3 -9.452 -19.110 -21.229 681 HD3 LYS 3 3HD LYS 3 -10.886 -19.888 -21.899 682 HE2 LYS 3 2HE LYS 3 -12.274 -18.107 -20.905 683 HE3 LYS 3 3HE LYS 3 -10.807 -17.314 -20.328 684 HZ1 LYS 3 3HZ LYS 3 -10.076 -17.239 -22.695 685 HZ2 LYS 3 1HZ LYS 3 -11.437 -16.283 -22.353 686 HZ3 LYS 3 2HZ LYS 3 -11.619 -17.774 -23.143 687 H MET 4 H MET 4 -7.444 -18.992 -19.082 688 HA MET 4 HA MET 4 -6.882 -19.767 -16.354 689 HB2 MET 4 2HB MET 4 -5.954 -17.463 -16.110 690 HB3 MET 4 3HB MET 4 -5.191 -18.423 -17.363 691 HG2 MET 4 2HG MET 4 -6.518 -17.227 -19.052 692 HG3 MET 4 3HG MET 4 -7.213 -16.231 -17.772 693 HE1 MET 4 3HE MET 4 -4.800 -13.722 -19.564 694 HE2 MET 4 1HE MET 4 -6.448 -14.014 -19.011 695 HE3 MET 4 2HE MET 4 -5.772 -14.985 -20.319 696 H ALA 5 H ALA 5 -8.688 -20.048 -15.269 697 HA ALA 5 HA ALA 5 -11.068 -18.596 -15.659 698 HB1 ALA 5 3HB ALA 5 -11.918 -19.823 -13.749 699 HB2 ALA 5 1HB ALA 5 -10.280 -20.313 -13.315 700 HB3 ALA 5 2HB ALA 5 -11.007 -20.894 -14.812 701 H GLU 6 H GLU 6 -11.726 -16.728 -14.895 702 HA GLU 6 HA GLU 6 -10.202 -15.267 -12.951 703 HB2 GLU 6 2HB GLU 6 -11.314 -14.127 -14.830 704 HB3 GLU 6 3HB GLU 6 -12.878 -14.650 -14.225 705 HG2 GLU 6 2HG GLU 6 -12.606 -13.304 -12.242 706 HG3 GLU 6 3HG GLU 6 -10.978 -12.849 -12.745 707 H PHE 7 H PHE 7 -10.415 -15.478 -10.843 708 HA PHE 7 HA PHE 7 -12.596 -17.035 -9.753 709 HB2 PHE 7 2HB PHE 7 -10.250 -15.758 -8.327 710 HB3 PHE 7 3HB PHE 7 -11.329 -16.989 -7.676 711 HD1 PHE 7 HD2 PHE 7 -11.364 -19.261 -8.822 712 HD2 PHE 7 HD1 PHE 7 -8.337 -16.353 -9.506 713 HE1 PHE 7 HE2 PHE 7 -9.884 -21.014 -9.706 714 HE2 PHE 7 HE1 PHE 7 -6.855 -18.101 -10.400 715 HZ PHE 7 HZ PHE 7 -7.626 -20.437 -10.499 716 H THR 8 H THR 8 -13.565 -16.222 -7.618 717 HA THR 8 HA THR 8 -14.775 -13.677 -8.202 718 HB THR 8 HB THR 8 -16.079 -14.179 -6.071 719 HG1 THR 8 HG1 THR 8 -15.165 -15.719 -4.932 720 HG21 THR 8 3HG2 THR 8 -16.162 -16.175 -8.333 721 HG22 THR 8 1HG2 THR 8 -16.976 -14.610 -8.301 722 HG23 THR 8 2HG2 THR 8 -17.461 -15.882 -7.177 723 H PHE 9 H PHE 9 -14.334 -11.791 -7.325 724 HA PHE 9 HA PHE 9 -13.034 -11.692 -4.709 725 HB2 PHE 9 2HB PHE 9 -11.699 -9.682 -5.566 726 HB3 PHE 9 3HB PHE 9 -11.166 -11.272 -6.089 727 HD1 PHE 9 HD1 PHE 9 -12.707 -8.119 -7.126 728 HD2 PHE 9 HD2 PHE 9 -11.345 -11.947 -8.397 729 HE1 PHE 9 HE1 PHE 9 -12.782 -7.367 -9.465 730 HE2 PHE 9 HE2 PHE 9 -11.425 -11.203 -10.739 731 HZ PHE 9 HZ PHE 9 -12.142 -8.909 -11.277 732 H GLU 10 H GLU 10 -14.222 -10.547 -3.361 733 HA GLU 10 HA GLU 10 -15.817 -8.307 -4.392 734 HB2 GLU 10 2HB GLU 10 -17.270 -10.300 -4.302 735 HB3 GLU 10 3HB GLU 10 -16.864 -10.516 -2.606 736 HG2 GLU 10 2HG GLU 10 -17.940 -8.423 -2.052 737 HG3 GLU 10 3HG GLU 10 -18.289 -8.130 -3.755 738 H ILE 11 H ILE 11 -16.053 -6.607 -2.948 739 HA ILE 11 HA ILE 11 -14.241 -6.668 -0.672 740 HB ILE 11 HB ILE 11 -15.802 -4.386 -1.904 741 HG12 ILE 11 2HG1 ILE 11 -13.401 -3.563 -2.334 742 HG13 ILE 11 3HG1 ILE 11 -12.901 -5.211 -1.976 743 HG21 ILE 11 1HG2 ILE 11 -13.878 -4.334 0.416 744 HG22 ILE 11 2HG2 ILE 11 -15.608 -3.999 0.473 745 HG23 ILE 11 3HG2 ILE 11 -14.527 -2.912 -0.402 746 HD11 ILE 11 3HD1 ILE 11 -14.766 -4.375 -4.188 747 HD12 ILE 11 1HD1 ILE 11 -14.257 -6.028 -3.832 748 HD13 ILE 11 2HD1 ILE 11 -13.072 -4.835 -4.364 749 H GLU 12 H GLU 12 -14.967 -7.298 1.252 750 HA GLU 12 HA GLU 12 -17.828 -7.061 1.831 751 HB2 GLU 12 2HB GLU 12 -17.394 -8.621 3.685 752 HB3 GLU 12 3HB GLU 12 -16.861 -9.270 2.141 753 HG2 GLU 12 2HG GLU 12 -14.571 -8.794 2.657 754 HG3 GLU 12 3HG GLU 12 -15.034 -7.951 4.135 755 H GLU 13 H GLU 13 -14.809 -5.660 2.700 756 HA GLU 13 HA GLU 13 -16.106 -4.071 4.774 757 HB2 GLU 13 2HB GLU 13 -15.151 -6.050 5.914 758 HB3 GLU 13 3HB GLU 13 -13.570 -5.643 5.263 759 HG2 GLU 13 2HG GLU 13 -13.571 -3.564 6.523 760 HG3 GLU 13 3HG GLU 13 -15.176 -3.935 7.152 761 H HIS 14 H HIS 14 -15.425 -2.014 4.794 762 HA HIS 14 HA HIS 14 -13.252 -1.284 2.971 763 HB2 HIS 14 2HB HIS 14 -15.611 -0.194 3.015 764 HB3 HIS 14 3HB HIS 14 -15.029 0.647 4.450 765 HD1 HIS 14 HD1 HIS 14 -13.551 2.671 4.084 766 HD2 HIS 14 HD2 HIS 14 -14.166 0.437 0.622 767 HE1 HIS 14 HE1 HIS 14 -12.564 4.027 2.203 768 HE2 HIS 14 HE2 HIS 14 -13.090 2.727 0.102 769 H LEU 15 H LEU 15 -11.432 -0.136 3.670 770 HA LEU 15 HA LEU 15 -11.020 -0.244 6.581 771 HB2 LEU 15 2HB LEU 15 -9.051 -0.537 4.322 772 HB3 LEU 15 3HB LEU 15 -8.592 -0.410 6.008 773 HG LEU 15 HG LEU 15 -10.341 -2.607 4.910 774 HD11 LEU 15 1HD1 LEU 15 -8.386 -4.016 5.004 775 HD12 LEU 15 2HD1 LEU 15 -7.402 -2.663 5.571 776 HD13 LEU 15 3HD1 LEU 15 -8.077 -2.644 3.940 777 HD21 LEU 15 3HD2 LEU 15 -8.896 -2.279 7.538 778 HD22 LEU 15 1HD2 LEU 15 -9.811 -3.701 7.034 779 HD23 LEU 15 2HD2 LEU 15 -10.640 -2.165 7.292 780 H LEU 16 H LEU 16 -9.556 1.463 3.806 781 HA LEU 16 HA LEU 16 -9.482 3.894 5.462 782 HB2 LEU 16 2HB LEU 16 -7.310 2.221 5.027 783 HB3 LEU 16 3HB LEU 16 -7.099 3.483 3.832 784 HG LEU 16 HG LEU 16 -5.858 3.930 5.898 785 HD11 LEU 16 1HD1 LEU 16 -8.121 5.862 5.426 786 HD12 LEU 16 2HD1 LEU 16 -6.592 5.814 4.547 787 HD13 LEU 16 3HD1 LEU 16 -6.610 6.221 6.263 788 HD21 LEU 16 3HD2 LEU 16 -8.579 4.029 7.179 789 HD22 LEU 16 1HD2 LEU 16 -7.069 4.523 7.940 790 HD23 LEU 16 2HD2 LEU 16 -7.315 2.838 7.487 791 H THR 17 H THR 17 -10.204 5.608 4.359 792 HA THR 17 HA THR 17 -10.067 5.561 1.430 793 HB THR 17 HB THR 17 -11.388 7.626 3.205 794 HG1 THR 17 HG1 THR 17 -12.874 6.144 3.464 795 HG21 THR 17 3HG2 THR 17 -10.822 8.404 0.941 796 HG22 THR 17 1HG2 THR 17 -12.568 8.270 1.161 797 HG23 THR 17 2HG2 THR 17 -11.696 7.033 0.255 798 H LEU 18 H LEU 18 -8.115 6.200 0.726 799 HA LEU 18 HA LEU 18 -6.428 7.890 2.290 800 HB2 LEU 18 2HB LEU 18 -6.121 6.991 -0.573 801 HB3 LEU 18 3HB LEU 18 -4.874 7.752 0.396 802 HG LEU 18 HG LEU 18 -6.094 5.029 0.843 803 HD11 LEU 18 1HD1 LEU 18 -4.452 5.185 -0.983 804 HD12 LEU 18 2HD1 LEU 18 -3.871 4.207 0.364 805 HD13 LEU 18 3HD1 LEU 18 -3.280 5.857 0.153 806 HD21 LEU 18 3HD2 LEU 18 -5.650 6.173 2.972 807 HD22 LEU 18 1HD2 LEU 18 -3.982 6.441 2.464 808 HD23 LEU 18 2HD2 LEU 18 -4.576 4.799 2.714 809 H SER 19 H SER 19 -7.365 8.366 -1.111 810 HA SER 19 HA SER 19 -8.448 10.973 -0.619 811 HB2 SER 19 2HB SER 19 -5.706 10.757 -1.893 812 HB3 SER 19 3HB SER 19 -6.726 12.192 -2.000 813 HG SER 19 HG SER 19 -6.383 11.242 0.559 814 H GLU 20 H GLU 20 -9.235 11.982 -2.570 815 HA GLU 20 HA GLU 20 -9.524 10.103 -4.789 816 HB2 GLU 20 2HB GLU 20 -11.613 11.049 -3.964 817 HB3 GLU 20 3HB GLU 20 -10.987 12.678 -4.188 818 HG2 GLU 20 2HG GLU 20 -10.895 12.326 -6.593 819 HG3 GLU 20 3HG GLU 20 -11.486 10.678 -6.384 820 H ASN 21 H ASN 21 -8.037 10.244 -6.268 821 HA ASN 21 HA ASN 21 -6.484 12.644 -6.680 822 HB2 ASN 21 2HB ASN 21 -6.451 10.094 -8.313 823 HB3 ASN 21 3HB ASN 21 -5.196 11.325 -8.235 824 HD21 ASN 21 1HD2 ASN 21 -5.396 11.641 -5.352 825 HD22 ASN 21 2HD2 ASN 21 -4.686 10.226 -4.644 826 H GLU 22 H GLU 22 -6.916 14.171 -8.143 827 HA GLU 22 HA GLU 22 -8.053 15.371 -9.707 828 HB2 GLU 22 2HB GLU 22 -8.468 12.694 -11.074 829 HB3 GLU 22 3HB GLU 22 -8.517 14.283 -11.830 830 HG2 GLU 22 2HG GLU 22 -6.160 14.589 -11.449 831 HG3 GLU 22 3HG GLU 22 -6.077 13.082 -10.540 832 H LYS 23 H LYS 23 -10.390 14.668 -11.217 833 HA LYS 23 HA LYS 23 -12.265 14.162 -9.007 834 HB2 LYS 23 2HB LYS 23 -12.635 15.619 -11.625 835 HB3 LYS 23 3HB LYS 23 -13.984 15.156 -10.596 836 HG2 LYS 23 2HG LYS 23 -11.692 16.881 -9.684 837 HG3 LYS 23 3HG LYS 23 -13.216 17.511 -10.311 838 HD2 LYS 23 2HD LYS 23 -14.432 16.440 -8.502 839 HD3 LYS 23 3HD LYS 23 -12.944 15.702 -7.907 840 HE2 LYS 23 2HE LYS 23 -12.027 17.872 -7.385 841 HE3 LYS 23 3HE LYS 23 -13.424 18.672 -8.102 842 HZ1 LYS 23 3HZ LYS 23 -13.496 18.559 -5.650 843 HZ2 LYS 23 1HZ LYS 23 -13.558 16.866 -5.743 844 HZ3 LYS 23 2HZ LYS 23 -14.821 17.800 -6.384 845 H GLY 24 H GLY 24 -12.236 11.948 -8.990 846 HA2 GLY 24 2HA GLY 24 -14.004 10.404 -10.101 847 HA3 GLY 24 3HA GLY 24 -12.939 10.577 -11.487 848 H TRP 25 H TRP 25 -10.459 10.542 -9.901 849 HA TRP 25 HA TRP 25 -10.383 7.619 -9.806 850 HB2 TRP 25 2HB TRP 25 -8.319 9.740 -10.277 851 HB3 TRP 25 3HB TRP 25 -7.834 8.111 -9.816 852 HD1 TRP 25 HD1 TRP 25 -10.114 9.698 -12.553 853 HE1 TRP 25 HE1 TRP 25 -9.782 8.342 -14.718 854 HE3 TRP 25 HE3 TRP 25 -6.806 6.215 -10.816 855 HZ2 TRP 25 HZ2 TRP 25 -8.296 6.101 -15.572 856 HZ3 TRP 25 HZ3 TRP 25 -5.972 4.502 -12.372 857 HH2 TRP 25 HH2 TRP 25 -6.710 4.446 -14.695 858 H THR 26 H THR 26 -11.184 7.258 -7.710 859 HA THR 26 HA THR 26 -9.779 8.513 -5.489 860 HB THR 26 HB THR 26 -11.963 6.429 -5.352 861 HG1 THR 26 HG1 THR 26 -12.158 8.856 -6.328 862 HG21 THR 26 3HG2 THR 26 -12.349 7.418 -3.119 863 HG22 THR 26 1HG2 THR 26 -10.956 8.470 -3.362 864 HG23 THR 26 2HG2 THR 26 -10.735 6.722 -3.268 865 H LYS 27 H LYS 27 -8.323 7.510 -4.167 866 HA LYS 27 HA LYS 27 -7.756 4.683 -4.762 867 HB2 LYS 27 2HB LYS 27 -5.936 6.192 -5.516 868 HB3 LYS 27 3HB LYS 27 -5.775 6.792 -3.869 869 HG2 LYS 27 2HG LYS 27 -4.937 4.757 -3.083 870 HG3 LYS 27 3HG LYS 27 -5.485 3.879 -4.511 871 HD2 LYS 27 2HD LYS 27 -3.083 4.157 -4.586 872 HD3 LYS 27 3HD LYS 27 -3.831 5.106 -5.866 873 HE2 LYS 27 2HE LYS 27 -3.303 6.438 -3.266 874 HE3 LYS 27 3HE LYS 27 -1.926 6.081 -4.305 875 HZ1 LYS 27 3HZ LYS 27 -2.962 7.333 -6.076 876 HZ2 LYS 27 1HZ LYS 27 -2.821 8.299 -4.688 877 HZ3 LYS 27 2HZ LYS 27 -4.320 7.642 -5.113 878 H GLU 28 H GLU 28 -7.941 3.321 -3.114 879 HA GLU 28 HA GLU 28 -7.933 4.261 -0.373 880 HB2 GLU 28 2HB GLU 28 -10.273 3.336 -0.027 881 HB3 GLU 28 3HB GLU 28 -10.166 4.856 -0.909 882 HG2 GLU 28 2HG GLU 28 -10.330 3.564 -3.028 883 HG3 GLU 28 3HG GLU 28 -10.611 2.114 -2.063 884 H ILE 29 H ILE 29 -8.611 2.392 1.109 885 HA ILE 29 HA ILE 29 -7.467 -0.121 0.071 886 HB ILE 29 HB ILE 29 -7.160 0.966 2.880 887 HG12 ILE 29 2HG1 ILE 29 -5.117 0.828 0.650 888 HG13 ILE 29 3HG1 ILE 29 -5.902 2.299 1.210 889 HG21 ILE 29 1HG2 ILE 29 -7.141 -1.465 2.776 890 HG22 ILE 29 2HG2 ILE 29 -5.529 -0.854 3.146 891 HG23 ILE 29 3HG2 ILE 29 -5.905 -1.417 1.517 892 HD11 ILE 29 3HD1 ILE 29 -4.868 2.017 3.399 893 HD12 ILE 29 1HD1 ILE 29 -3.660 2.093 2.115 894 HD13 ILE 29 2HD1 ILE 29 -4.082 0.541 2.840 895 H ASN 30 H ASN 30 -8.592 -1.944 0.465 896 HA ASN 30 HA ASN 30 -10.649 -2.011 2.518 897 HB2 ASN 30 2HB ASN 30 -12.359 -2.843 0.828 898 HB3 ASN 30 3HB ASN 30 -12.012 -1.120 0.805 899 HD21 ASN 30 1HD2 ASN 30 -9.860 -3.535 -0.598 900 HD22 ASN 30 2HD2 ASN 30 -10.139 -3.083 -2.243 901 H ARG 31 H ARG 31 -11.638 -4.232 2.708 902 HA ARG 31 HA ARG 31 -9.559 -6.201 2.153 903 HB2 ARG 31 2HB ARG 31 -11.986 -6.267 3.936 904 HB3 ARG 31 3HB ARG 31 -11.052 -7.713 3.572 905 HG2 ARG 31 2HG ARG 31 -9.033 -6.270 4.372 906 HG3 ARG 31 3HG ARG 31 -10.286 -5.315 5.170 907 HD2 ARG 31 2HD ARG 31 -9.951 -8.295 5.485 908 HD3 ARG 31 3HD ARG 31 -9.285 -7.101 6.596 909 HE ARG 31 HE ARG 31 -11.635 -6.413 7.032 910 HH11 ARG 31 1HH1 ARG 31 -10.985 -9.612 5.741 911 HH12 ARG 31 2HH1 ARG 31 -12.416 -10.311 6.423 912 HH21 ARG 31 1HH2 ARG 31 -13.489 -7.350 7.961 913 HH22 ARG 31 2HH2 ARG 31 -13.834 -9.037 7.696 914 H VAL 32 H VAL 32 -9.651 -7.491 0.492 915 HA VAL 32 HA VAL 32 -12.200 -7.788 -0.936 916 HB VAL 32 HB VAL 32 -9.382 -8.280 -1.921 917 HG11 VAL 32 1HG1 VAL 32 -12.013 -8.374 -3.390 918 HG12 VAL 32 2HG1 VAL 32 -10.973 -9.750 -3.020 919 HG13 VAL 32 3HG1 VAL 32 -10.420 -8.501 -4.136 920 HG21 VAL 32 3HG2 VAL 32 -9.859 -5.911 -1.576 921 HG22 VAL 32 1HG2 VAL 32 -11.319 -6.056 -2.554 922 HG23 VAL 32 2HG2 VAL 32 -9.735 -6.288 -3.293 923 H SER 33 H SER 33 -13.240 -9.605 -0.738 924 HA SER 33 HA SER 33 -11.984 -11.935 0.431 925 HB2 SER 33 2HB SER 33 -14.829 -11.745 -0.544 926 HB3 SER 33 3HB SER 33 -14.178 -12.717 0.778 927 HG SER 33 HG SER 33 -14.838 -11.102 1.970 928 H PHE 34 H PHE 34 -10.937 -13.307 -0.846 929 HA PHE 34 HA PHE 34 -11.669 -13.564 -3.656 930 HB2 PHE 34 2HB PHE 34 -9.375 -14.768 -2.086 931 HB3 PHE 34 3HB PHE 34 -9.616 -14.944 -3.821 932 HD1 PHE 34 HD1 PHE 34 -9.436 -12.954 -5.294 933 HD2 PHE 34 HD2 PHE 34 -8.391 -12.816 -1.171 934 HE1 PHE 34 HE1 PHE 34 -8.168 -10.883 -5.692 935 HE2 PHE 34 HE2 PHE 34 -7.123 -10.741 -1.558 936 HZ PHE 34 HZ PHE 34 -7.012 -9.774 -3.822 937 H ASN 35 H ASN 35 -12.067 -15.615 -4.618 938 HA ASN 35 HA ASN 35 -14.030 -17.155 -3.735 939 HB2 ASN 35 2HB ASN 35 -13.264 -18.991 -5.153 940 HB3 ASN 35 3HB ASN 35 -13.017 -17.443 -5.945 941 HD21 ASN 35 1HD2 ASN 35 -11.756 -20.079 -6.346 942 HD22 ASN 35 2HD2 ASN 35 -10.050 -19.810 -6.184 943 H GLY 36 H GLY 36 -14.434 -18.094 -1.889 944 HA2 GLY 36 2HA GLY 36 -13.804 -20.280 -0.750 945 HA3 GLY 36 3HA GLY 36 -12.241 -19.509 -0.518 946 H ALA 37 H ALA 37 -12.185 -17.535 0.776 947 HA ALA 37 HA ALA 37 -14.298 -16.736 2.433 948 HB1 ALA 37 3HB ALA 37 -12.412 -18.660 3.773 949 HB2 ALA 37 1HB ALA 37 -14.098 -18.985 3.372 950 HB3 ALA 37 2HB ALA 37 -13.698 -17.742 4.559 951 HA PRO 38 HA PRO 38 -9.987 -15.211 4.332 952 HB2 PRO 38 2HB PRO 38 -8.027 -15.346 2.342 953 HB3 PRO 38 3HB PRO 38 -8.137 -16.382 3.767 954 HG2 PRO 38 2HG PRO 38 -9.047 -16.889 0.972 955 HG3 PRO 38 3HG PRO 38 -8.324 -18.010 2.144 956 HD2 PRO 38 2HD PRO 38 -10.953 -18.057 1.641 957 HD3 PRO 38 3HD PRO 38 -10.335 -18.299 3.289 958 H ALA 39 H ALA 39 -10.640 -13.173 4.275 959 HA ALA 39 HA ALA 39 -10.592 -11.705 1.733 960 HB1 ALA 39 3HB ALA 39 -12.664 -11.552 3.032 961 HB2 ALA 39 1HB ALA 39 -11.869 -9.983 2.895 962 HB3 ALA 39 2HB ALA 39 -11.758 -10.898 4.398 963 H LYS 40 H LYS 40 -8.665 -10.844 1.325 964 HA LYS 40 HA LYS 40 -6.914 -10.176 3.565 965 HB2 LYS 40 2HB LYS 40 -6.342 -10.459 0.611 966 HB3 LYS 40 3HB LYS 40 -5.137 -10.047 1.828 967 HG2 LYS 40 2HG LYS 40 -5.622 -12.189 2.968 968 HG3 LYS 40 3HG LYS 40 -6.718 -12.605 1.652 969 HD2 LYS 40 2HD LYS 40 -4.890 -12.544 0.064 970 HD3 LYS 40 3HD LYS 40 -3.779 -12.005 1.326 971 HE2 LYS 40 2HE LYS 40 -4.228 -14.119 2.547 972 HE3 LYS 40 3HE LYS 40 -5.217 -14.655 1.191 973 HZ1 LYS 40 3HZ LYS 40 -3.000 -15.568 1.062 974 HZ2 LYS 40 1HZ LYS 40 -2.320 -14.016 1.083 975 HZ3 LYS 40 2HZ LYS 40 -3.269 -14.513 -0.235 976 H PHE 41 H PHE 41 -5.517 -8.240 3.296 977 HA PHE 41 HA PHE 41 -7.248 -5.953 2.895 978 HB2 PHE 41 2HB PHE 41 -4.345 -5.958 3.740 979 HB3 PHE 41 3HB PHE 41 -5.546 -4.705 4.028 980 HD1 PHE 41 HD2 PHE 41 -4.443 -8.088 5.008 981 HD2 PHE 41 HD1 PHE 41 -7.019 -4.819 5.891 982 HE1 PHE 41 HE2 PHE 41 -4.949 -9.083 7.199 983 HE2 PHE 41 HE1 PHE 41 -7.530 -5.808 8.083 984 HZ PHE 41 HZ PHE 41 -6.494 -7.942 8.740 985 H ASP 42 H ASP 42 -7.356 -4.978 0.961 986 HA ASP 42 HA ASP 42 -5.037 -5.241 -0.833 987 HB2 ASP 42 2HB ASP 42 -6.697 -6.884 -1.467 988 HB3 ASP 42 3HB ASP 42 -7.960 -5.660 -1.489 989 H ILE 43 H ILE 43 -4.605 -3.544 -2.194 990 HA ILE 43 HA ILE 43 -6.079 -1.057 -1.603 991 HB ILE 43 HB ILE 43 -3.195 -1.323 -2.481 992 HG12 ILE 43 2HG1 ILE 43 -4.314 -0.727 0.272 993 HG13 ILE 43 3HG1 ILE 43 -3.561 -2.241 -0.214 994 HG21 ILE 43 1HG2 ILE 43 -4.760 1.052 -1.472 995 HG22 ILE 43 2HG2 ILE 43 -4.242 0.778 -3.135 996 HG23 ILE 43 3HG2 ILE 43 -3.042 1.043 -1.871 997 HD11 ILE 43 3HD1 ILE 43 -2.023 -0.863 1.055 998 HD12 ILE 43 1HD1 ILE 43 -2.211 0.443 -0.115 999 HD13 ILE 43 2HD1 ILE 43 -1.456 -1.074 -0.603 1000 H ARG 44 H ARG 44 -7.161 -0.182 -3.269 1001 HA ARG 44 HA ARG 44 -6.215 -0.727 -6.000 1002 HB2 ARG 44 2HB ARG 44 -9.087 -0.930 -5.070 1003 HB3 ARG 44 3HB ARG 44 -8.569 -0.986 -6.748 1004 HG2 ARG 44 2HG ARG 44 -7.769 -2.956 -4.626 1005 HG3 ARG 44 3HG ARG 44 -9.050 -3.199 -5.814 1006 HD2 ARG 44 2HD ARG 44 -7.543 -3.323 -7.590 1007 HD3 ARG 44 3HD ARG 44 -6.255 -2.543 -6.670 1008 HE ARG 44 HE ARG 44 -6.665 -4.771 -5.244 1009 HH11 ARG 44 1HH1 ARG 44 -6.228 -4.324 -8.706 1010 HH12 ARG 44 2HH1 ARG 44 -5.450 -5.868 -8.924 1011 HH21 ARG 44 1HH2 ARG 44 -5.626 -6.747 -5.523 1012 HH22 ARG 44 2HH2 ARG 44 -5.097 -7.237 -7.106 1013 H ALA 45 H ALA 45 -6.991 0.761 -7.591 1014 HA ALA 45 HA ALA 45 -7.947 3.315 -6.503 1015 HB1 ALA 45 3HB ALA 45 -5.825 3.434 -7.771 1016 HB2 ALA 45 1HB ALA 45 -7.119 4.355 -8.539 1017 HB3 ALA 45 2HB ALA 45 -6.657 2.780 -9.182 1018 H TRP 46 H TRP 46 -9.877 4.125 -7.223 1019 HA TRP 46 HA TRP 46 -11.444 2.317 -8.934 1020 HB2 TRP 46 2HB TRP 46 -12.333 4.329 -6.857 1021 HB3 TRP 46 3HB TRP 46 -13.437 3.456 -7.915 1022 HD1 TRP 46 HD1 TRP 46 -11.010 2.846 -4.988 1023 HE1 TRP 46 HE1 TRP 46 -11.659 0.635 -3.840 1024 HE3 TRP 46 HE3 TRP 46 -14.603 1.257 -8.262 1025 HZ2 TRP 46 HZ2 TRP 46 -13.460 -1.503 -4.269 1026 HZ3 TRP 46 HZ3 TRP 46 -15.740 -0.880 -7.821 1027 HH2 TRP 46 HH2 TRP 46 -15.178 -2.231 -5.867 1028 H SER 47 H SER 47 -12.095 2.983 -10.846 1029 HA SER 47 HA SER 47 -11.694 5.816 -11.530 1030 HB2 SER 47 2HB SER 47 -11.052 3.525 -13.383 1031 HB3 SER 47 3HB SER 47 -10.559 5.215 -13.520 1032 HG SER 47 HG SER 47 -9.724 4.228 -11.176 1033 HA PRO 48 HA PRO 48 -15.678 5.251 -13.496 1034 HB2 PRO 48 2HB PRO 48 -15.836 7.679 -14.691 1035 HB3 PRO 48 3HB PRO 48 -16.115 7.445 -12.965 1036 HG2 PRO 48 2HG PRO 48 -13.751 8.563 -14.367 1037 HG3 PRO 48 3HG PRO 48 -14.414 8.970 -12.776 1038 HD2 PRO 48 2HD PRO 48 -12.199 7.339 -13.256 1039 HD3 PRO 48 3HD PRO 48 -13.112 7.426 -11.740 1040 H ASP 49 H ASP 49 -13.161 6.927 -15.364 1041 HA ASP 49 HA ASP 49 -13.018 4.990 -17.414 1042 HB2 ASP 49 2HB ASP 49 -14.026 6.248 -19.252 1043 HB3 ASP 49 3HB ASP 49 -15.227 5.951 -18.003 1044 H HIS 50 H HIS 50 -12.143 6.564 -19.510 1045 HA HIS 50 HA HIS 50 -10.509 7.906 -20.315 1046 HB2 HIS 50 2HB HIS 50 -10.427 9.037 -17.515 1047 HB3 HIS 50 3HB HIS 50 -9.442 9.636 -18.844 1048 HD1 HIS 50 HD1 HIS 50 -11.973 10.953 -17.141 1049 HD2 HIS 50 HD2 HIS 50 -11.749 9.836 -21.141 1050 HE1 HIS 50 HE1 HIS 50 -13.756 12.278 -18.318 1051 HE2 HIS 50 HE2 HIS 50 -13.753 11.406 -20.681 1052 H THR 51 H THR 51 -9.473 5.812 -20.509 1053 HA THR 51 HA THR 51 -7.664 4.441 -20.435 1054 HB THR 51 HB THR 51 -5.467 5.622 -20.411 1055 HG1 THR 51 HG1 THR 51 -6.588 7.381 -18.971 1056 HG21 THR 51 3HG2 THR 51 -5.902 6.928 -22.447 1057 HG22 THR 51 1HG2 THR 51 -7.634 6.846 -22.121 1058 HG23 THR 51 2HG2 THR 51 -6.732 5.372 -22.478 1059 H LYS 52 H LYS 52 -7.728 3.042 -18.758 1060 HA LYS 52 HA LYS 52 -7.278 3.833 -16.058 1061 HB2 LYS 52 2HB LYS 52 -7.026 1.033 -17.094 1062 HB3 LYS 52 3HB LYS 52 -7.492 1.547 -15.485 1063 HG2 LYS 52 2HG LYS 52 -9.126 1.923 -17.984 1064 HG3 LYS 52 3HG LYS 52 -9.402 0.704 -16.740 1065 HD2 LYS 52 2HD LYS 52 -9.893 2.402 -15.108 1066 HD3 LYS 52 3HD LYS 52 -9.445 3.679 -16.243 1067 HE2 LYS 52 2HE LYS 52 -11.864 3.477 -16.103 1068 HE3 LYS 52 3HE LYS 52 -11.298 3.015 -17.707 1069 HZ1 LYS 52 3HZ LYS 52 -12.943 1.456 -16.961 1070 HZ2 LYS 52 1HZ LYS 52 -12.098 1.175 -15.511 1071 HZ3 LYS 52 2HZ LYS 52 -11.440 0.674 -16.991 1072 H MET 53 H MET 53 -5.367 4.722 -15.719 1073 HA MET 53 HA MET 53 -2.944 3.220 -16.403 1074 HB2 MET 53 2HB MET 53 -3.287 6.135 -15.671 1075 HB3 MET 53 3HB MET 53 -1.741 5.358 -15.987 1076 HG2 MET 53 2HG MET 53 -2.416 4.899 -18.273 1077 HG3 MET 53 3HG MET 53 -3.998 5.609 -17.964 1078 HE1 MET 53 3HE MET 53 -0.041 7.989 -18.003 1079 HE2 MET 53 1HE MET 53 -0.160 6.245 -18.240 1080 HE3 MET 53 2HE MET 53 -0.501 6.946 -16.657 1081 H GLY 54 H GLY 54 -2.722 1.812 -14.736 1082 HA2 GLY 54 2HA GLY 54 -1.396 2.225 -12.494 1083 HA3 GLY 54 3HA GLY 54 -2.992 2.773 -11.992 1084 H LYS 55 H LYS 55 -2.101 0.799 -10.535 1085 HA LYS 55 HA LYS 55 -3.749 -1.460 -11.345 1086 HB2 LYS 55 2HB LYS 55 -0.812 -1.664 -10.679 1087 HB3 LYS 55 3HB LYS 55 -1.903 -3.033 -10.545 1088 HG2 LYS 55 2HG LYS 55 -1.339 -1.488 -13.069 1089 HG3 LYS 55 3HG LYS 55 -0.650 -3.056 -12.642 1090 HD2 LYS 55 2HD LYS 55 -2.866 -4.055 -12.642 1091 HD3 LYS 55 3HD LYS 55 -3.596 -2.485 -12.981 1092 HE2 LYS 55 2HE LYS 55 -1.687 -3.978 -14.778 1093 HE3 LYS 55 3HE LYS 55 -3.433 -3.859 -15.000 1094 HZ1 LYS 55 3HZ LYS 55 -3.166 -1.435 -15.208 1095 HZ2 LYS 55 1HZ LYS 55 -2.322 -2.284 -16.410 1096 HZ3 LYS 55 2HZ LYS 55 -1.483 -1.619 -15.098 1097 H GLY 56 H GLY 56 -3.268 -3.182 -9.345 1098 HA2 GLY 56 2HA GLY 56 -3.404 -1.646 -6.840 1099 HA3 GLY 56 3HA GLY 56 -4.630 -2.855 -7.207 1100 H ILE 57 H ILE 57 -3.242 -3.206 -4.918 1101 HA ILE 57 HA ILE 57 -1.666 -5.568 -5.539 1102 HB ILE 57 HB ILE 57 -0.036 -3.703 -5.474 1103 HG12 ILE 57 2HG1 ILE 57 0.315 -5.559 -3.114 1104 HG13 ILE 57 3HG1 ILE 57 0.527 -6.058 -4.789 1105 HG21 ILE 57 1HG2 ILE 57 0.493 -2.615 -3.350 1106 HG22 ILE 57 2HG2 ILE 57 -0.872 -3.435 -2.589 1107 HG23 ILE 57 3HG2 ILE 57 -1.153 -2.258 -3.874 1108 HD11 ILE 57 3HD1 ILE 57 2.106 -3.916 -3.381 1109 HD12 ILE 57 1HD1 ILE 57 2.324 -4.435 -5.054 1110 HD13 ILE 57 2HD1 ILE 57 2.658 -5.555 -3.729 1111 H THR 58 H THR 58 -1.773 -7.131 -3.999 1112 HA THR 58 HA THR 58 -3.707 -6.634 -1.860 1113 HB THR 58 HB THR 58 -2.780 -9.315 -2.891 1114 HG1 THR 58 HG1 THR 58 -4.849 -7.576 -3.804 1115 HG21 THR 58 3HG2 THR 58 -3.922 -9.352 -0.726 1116 HG22 THR 58 1HG2 THR 58 -4.926 -10.088 -1.977 1117 HG23 THR 58 2HG2 THR 58 -5.274 -8.454 -1.416 1118 H LEU 59 H LEU 59 -3.223 -6.876 0.239 1119 HA LEU 59 HA LEU 59 -0.599 -8.021 0.954 1120 HB2 LEU 59 2HB LEU 59 -2.124 -5.843 2.396 1121 HB3 LEU 59 3HB LEU 59 -0.578 -6.509 2.883 1122 HG LEU 59 HG LEU 59 -1.077 -4.939 0.352 1123 HD11 LEU 59 1HD1 LEU 59 0.272 -4.165 2.935 1124 HD12 LEU 59 2HD1 LEU 59 -1.252 -3.530 2.310 1125 HD13 LEU 59 3HD1 LEU 59 0.258 -3.197 1.460 1126 HD21 LEU 59 3HD2 LEU 59 1.359 -4.940 0.136 1127 HD22 LEU 59 1HD2 LEU 59 0.710 -6.579 0.091 1128 HD23 LEU 59 2HD2 LEU 59 1.488 -5.980 1.554 1129 H SER 60 H SER 60 -0.721 -9.795 2.159 1130 HA SER 60 HA SER 60 -3.252 -10.722 3.136 1131 HB2 SER 60 2HB SER 60 -0.512 -11.873 3.690 1132 HB3 SER 60 3HB SER 60 -2.063 -12.713 3.764 1133 HG SER 60 HG SER 60 -0.650 -11.781 1.497 1134 H ASN 61 H ASN 61 -2.983 -11.807 5.518 1135 HA ASN 61 HA ASN 61 -3.488 -9.694 7.245 1136 HB2 ASN 61 2HB ASN 61 -4.236 -12.071 7.520 1137 HB3 ASN 61 3HB ASN 61 -2.609 -12.480 8.042 1138 HD21 ASN 61 1HD2 ASN 61 -5.186 -12.675 9.424 1139 HD22 ASN 61 2HD2 ASN 61 -4.999 -11.785 10.895 1140 H GLU 62 H GLU 62 -0.584 -11.765 7.123 1141 HA GLU 62 HA GLU 62 0.720 -10.314 9.202 1142 HB2 GLU 62 2HB GLU 62 2.737 -11.624 8.578 1143 HB3 GLU 62 3HB GLU 62 1.326 -12.616 8.892 1144 HG2 GLU 62 2HG GLU 62 2.086 -11.828 6.107 1145 HG3 GLU 62 3HG GLU 62 2.834 -13.207 6.911 1146 H GLU 63 H GLU 63 0.777 -10.151 5.700 1147 HA GLU 63 HA GLU 63 3.078 -8.527 5.433 1148 HB2 GLU 63 2HB GLU 63 0.689 -8.614 3.577 1149 HB3 GLU 63 3HB GLU 63 2.329 -8.132 3.169 1150 HG2 GLU 63 2HG GLU 63 3.098 -10.422 3.584 1151 HG3 GLU 63 3HG GLU 63 1.443 -10.899 3.963 1152 H PHE 64 H PHE 64 -0.372 -7.791 5.628 1153 HA PHE 64 HA PHE 64 -0.154 -4.995 5.315 1154 HB2 PHE 64 2HB PHE 64 -2.239 -6.386 5.067 1155 HB3 PHE 64 3HB PHE 64 -2.296 -6.503 6.821 1156 HD1 PHE 64 HD1 PHE 64 -2.352 -4.088 4.014 1157 HD2 PHE 64 HD2 PHE 64 -3.308 -4.834 8.092 1158 HE1 PHE 64 HE1 PHE 64 -3.637 -1.991 4.093 1159 HE2 PHE 64 HE2 PHE 64 -4.593 -2.742 8.178 1160 HZ PHE 64 HZ PHE 64 -4.762 -1.318 6.178 1161 H GLN 65 H GLN 65 -0.388 -7.042 8.213 1162 HA GLN 65 HA GLN 65 -0.315 -5.002 10.121 1163 HB2 GLN 65 2HB GLN 65 -0.890 -7.333 10.647 1164 HB3 GLN 65 3HB GLN 65 0.771 -7.818 10.332 1165 HG2 GLN 65 2HG GLN 65 0.299 -7.648 12.721 1166 HG3 GLN 65 3HG GLN 65 1.543 -6.507 12.216 1167 HE21 GLN 65 1HE2 GLN 65 1.087 -4.304 12.210 1168 HE22 GLN 65 2HE2 GLN 65 -0.282 -3.651 13.040 1169 H THR 66 H THR 66 2.277 -6.641 8.403 1170 HA THR 66 HA THR 66 4.465 -5.708 9.859 1171 HB THR 66 HB THR 66 4.281 -6.297 6.898 1172 HG1 THR 66 HG1 THR 66 3.807 -8.136 8.068 1173 HG21 THR 66 3HG2 THR 66 6.264 -4.971 7.377 1174 HG22 THR 66 1HG2 THR 66 6.713 -6.637 7.012 1175 HG23 THR 66 2HG2 THR 66 6.706 -6.073 8.683 1176 H MET 67 H MET 67 2.897 -4.255 6.976 1177 HA MET 67 HA MET 67 4.708 -2.064 6.940 1178 HB2 MET 67 2HB MET 67 3.460 -1.178 5.150 1179 HB3 MET 67 3HB MET 67 3.375 -2.919 4.966 1180 HG2 MET 67 2HG MET 67 1.221 -2.312 4.511 1181 HG3 MET 67 3HG MET 67 1.109 -2.653 6.236 1182 HE1 MET 67 3HE MET 67 -1.331 0.423 5.513 1183 HE2 MET 67 1HE MET 67 -1.259 -1.252 6.060 1184 HE3 MET 67 2HE MET 67 -0.925 -0.860 4.373 1185 H VAL 68 H VAL 68 1.561 -2.574 8.412 1186 HA VAL 68 HA VAL 68 0.993 0.098 9.073 1187 HB VAL 68 HB VAL 68 0.123 -2.476 10.390 1188 HG11 VAL 68 1HG1 VAL 68 -1.640 -1.101 11.492 1189 HG12 VAL 68 2HG1 VAL 68 -0.781 0.349 10.971 1190 HG13 VAL 68 3HG1 VAL 68 -0.014 -0.777 12.090 1191 HG21 VAL 68 3HG2 VAL 68 -0.681 -2.134 8.121 1192 HG22 VAL 68 1HG2 VAL 68 -1.281 -0.534 8.558 1193 HG23 VAL 68 2HG2 VAL 68 -2.005 -1.976 9.275 1194 H ASP 69 H ASP 69 2.818 -2.392 10.799 1195 HA ASP 69 HA ASP 69 3.140 -0.869 13.180 1196 HB2 ASP 69 2HB ASP 69 3.401 -3.345 13.070 1197 HB3 ASP 69 3HB ASP 69 4.889 -3.116 12.160 1198 H ALA 70 H ALA 70 5.181 -1.404 10.334 1199 HA ALA 70 HA ALA 70 7.417 0.031 11.234 1200 HB1 ALA 70 3HB ALA 70 6.505 -0.413 8.398 1201 HB2 ALA 70 1HB ALA 70 7.488 -1.525 9.350 1202 HB3 ALA 70 2HB ALA 70 8.125 0.060 8.908 1203 H PHE 71 H PHE 71 4.495 1.069 9.547 1204 HA PHE 71 HA PHE 71 5.505 3.765 9.270 1205 HB2 PHE 71 2HB PHE 71 2.801 2.578 8.635 1206 HB3 PHE 71 3HB PHE 71 3.236 4.260 8.347 1207 HD1 PHE 71 HD2 PHE 71 5.984 3.999 7.349 1208 HD2 PHE 71 HD1 PHE 71 2.521 1.671 6.521 1209 HE1 PHE 71 HE2 PHE 71 6.929 3.373 5.163 1210 HE2 PHE 71 HE1 PHE 71 3.461 1.036 4.341 1211 HZ PHE 71 HZ PHE 71 5.667 1.889 3.660 1212 H LYS 72 H LYS 72 3.588 1.968 11.527 1213 HA LYS 72 HA LYS 72 2.326 4.107 12.837 1214 HB2 LYS 72 2HB LYS 72 1.753 1.748 13.263 1215 HB3 LYS 72 3HB LYS 72 3.327 1.503 14.010 1216 HG2 LYS 72 2HG LYS 72 2.779 2.938 15.824 1217 HG3 LYS 72 3HG LYS 72 1.304 3.480 15.028 1218 HD2 LYS 72 2HD LYS 72 1.871 0.700 16.054 1219 HD3 LYS 72 3HD LYS 72 0.785 1.884 16.783 1220 HE2 LYS 72 2HE LYS 72 -0.316 1.828 14.386 1221 HE3 LYS 72 3HE LYS 72 0.436 0.234 14.329 1222 HZ1 LYS 72 3HZ LYS 72 -0.693 -0.241 16.476 1223 HZ2 LYS 72 1HZ LYS 72 -1.761 -0.001 15.175 1224 HZ3 LYS 72 2HZ LYS 72 -1.528 1.224 16.314 1225 H GLY 73 H GLY 73 5.563 2.811 13.001 1226 HA2 GLY 73 2HA GLY 73 6.261 4.905 14.960 1227 HA3 GLY 73 3HA GLY 73 7.197 3.444 14.675 1228 H ASN 74 H ASN 74 5.850 5.818 12.377 1229 HA ASN 74 HA ASN 74 8.397 6.965 11.766 1230 HB2 ASN 74 2HB ASN 74 8.671 4.748 10.710 1231 HB3 ASN 74 3HB ASN 74 7.214 5.023 9.765 1232 HD21 ASN 74 1HD2 ASN 74 8.192 4.909 7.794 1233 HD22 ASN 74 2HD2 ASN 74 9.315 6.088 7.217 1234 H LEU 75 H LEU 75 8.211 8.788 10.475 1235 HA LEU 75 HA LEU 75 7.421 10.268 8.948 1236 HB2 LEU 75 2HB LEU 75 6.648 8.305 7.680 1237 HB3 LEU 75 3HB LEU 75 5.133 8.345 8.559 1238 HG LEU 75 HG LEU 75 4.691 10.604 7.593 1239 HD11 LEU 75 1HD1 LEU 75 6.005 11.337 5.677 1240 HD12 LEU 75 2HD1 LEU 75 7.109 9.982 5.906 1241 HD13 LEU 75 3HD1 LEU 75 7.000 11.244 7.132 1242 HD21 LEU 75 3HD2 LEU 75 5.122 8.339 5.645 1243 HD22 LEU 75 1HD2 LEU 75 4.137 9.769 5.340 1244 HD23 LEU 75 2HD2 LEU 75 3.679 8.638 6.611 1245 H GLU 76 H GLU 76 5.022 9.019 11.215 1246 HA GLU 76 HA GLU 76 3.225 11.192 10.934 1247 HB2 GLU 76 2HB GLU 76 2.937 8.755 11.918 1248 HB3 GLU 76 3HB GLU 76 3.306 9.563 13.432 1249 HG2 GLU 76 2HG GLU 76 1.086 10.387 11.579 1250 HG3 GLU 76 3HG GLU 76 0.885 9.307 12.955 1251 H HIS 77 H HIS 77 4.470 13.045 11.141 1252 HA HIS 77 HA HIS 77 4.526 14.019 13.879 1253 HB2 HIS 77 2HB HIS 77 6.948 13.929 12.097 1254 HB3 HIS 77 3HB HIS 77 6.757 15.241 13.255 1255 HD1 HIS 77 HD1 HIS 77 8.034 11.866 12.945 1256 HD2 HIS 77 HD2 HIS 77 6.527 14.238 16.018 1257 HE1 HIS 77 HE1 HIS 77 8.772 10.767 15.086 1258 HE2 HIS 77 HE2 HIS 77 7.967 12.288 16.925 1259 H HIS 78 H HIS 78 2.932 15.479 13.566 1260 HA HIS 78 HA HIS 78 2.696 16.838 11.030 1261 HB2 HIS 78 2HB HIS 78 0.843 15.958 12.779 1262 HB3 HIS 78 3HB HIS 78 0.944 17.647 13.272 1263 HD1 HIS 78 HD1 HIS 78 -0.079 15.448 10.433 1264 HD2 HIS 78 HD2 HIS 78 -0.089 19.490 11.419 1265 HE1 HIS 78 HE1 HIS 78 -1.536 16.565 8.707 1266 HE2 HIS 78 HE2 HIS 78 -1.411 19.030 9.235 1267 H HIS 79 H HIS 79 3.271 17.807 14.409 1268 HA HIS 79 HA HIS 79 4.498 20.278 13.381 1269 HB2 HIS 79 2HB HIS 79 2.554 20.110 15.698 1270 HB3 HIS 79 3HB HIS 79 3.533 21.524 15.322 1271 HD1 HIS 79 HD1 HIS 79 0.271 20.174 14.767 1272 HD2 HIS 79 HD2 HIS 79 2.928 22.453 12.519 1273 HE1 HIS 79 HE1 HIS 79 -1.115 21.255 12.972 1274 HE2 HIS 79 HE2 HIS 79 0.554 22.430 11.489 1275 H HIS 80 H HIS 80 6.111 21.202 14.791 1276 HA HIS 80 HA HIS 80 7.237 19.202 16.645 1277 HB2 HIS 80 2HB HIS 80 8.653 21.477 15.236 1278 HB3 HIS 80 3HB HIS 80 9.407 20.280 16.282 1279 HD1 HIS 80 HD1 HIS 80 9.130 21.016 12.870 1280 HD2 HIS 80 HD2 HIS 80 8.726 17.498 15.061 1281 HE1 HIS 80 HE1 HIS 80 9.495 19.144 11.228 1282 HE2 HIS 80 HE2 HIS 80 9.290 17.024 12.570 1283 H HIS 81 H HIS 81 7.448 19.712 18.758 1284 HA HIS 81 HA HIS 81 7.100 22.531 19.501 1285 HB2 HIS 81 2HB HIS 81 5.790 21.712 21.527 1286 HB3 HIS 81 3HB HIS 81 4.967 21.673 19.978 1287 HD1 HIS 81 HD1 HIS 81 4.177 19.433 19.120 1288 HD2 HIS 81 HD2 HIS 81 6.411 19.152 22.618 1289 HE1 HIS 81 HE1 HIS 81 3.888 17.064 19.923 1290 HE2 HIS 81 HE2 HIS 81 5.073 16.980 22.145 1291 H HIS 82 H HIS 82 9.237 22.832 19.881 1292 HA HIS 82 HA HIS 82 10.039 22.378 22.523 1293 HB2 HIS 82 2HB HIS 82 12.203 21.142 21.995 1294 HB3 HIS 82 3HB HIS 82 10.732 20.184 22.026 1295 HD1 HIS 82 HD1 HIS 82 12.618 22.055 19.280 1296 HD2 HIS 82 HD2 HIS 82 10.781 18.405 20.034 1297 HE1 HIS 82 HE1 HIS 82 12.964 20.683 17.197 1298 HE2 HIS 82 HE2 HIS 82 12.028 18.408 17.768 Start of MODEL 19 1 H1 MET 1 1H MET 1 -3.924 15.267 -22.808 2 H2 MET 1 2H MET 1 -4.342 13.622 -22.735 3 H3 MET 1 3H MET 1 -4.000 14.342 -24.230 4 HA MET 1 HA MET 1 -2.169 12.971 -23.447 5 HB2 MET 1 2HB MET 1 -1.683 15.959 -23.518 6 HB3 MET 1 3HB MET 1 -0.398 14.761 -23.566 7 HG2 MET 1 2HG MET 1 -1.277 13.873 -25.647 8 HG3 MET 1 3HG MET 1 -2.608 15.025 -25.593 9 HE1 MET 1 3HE MET 1 -0.725 14.665 -28.118 10 HE2 MET 1 1HE MET 1 -0.451 16.346 -28.569 11 HE3 MET 1 2HE MET 1 -2.050 15.824 -28.043 12 H LYS 2 H LYS 2 -0.088 13.375 -21.993 13 HA LYS 2 HA LYS 2 -1.079 13.712 -19.250 14 HB2 LYS 2 2HB LYS 2 1.426 12.399 -20.321 15 HB3 LYS 2 3HB LYS 2 1.048 12.561 -18.610 16 HG2 LYS 2 2HG LYS 2 -0.967 11.218 -18.927 17 HG3 LYS 2 3HG LYS 2 -0.590 11.056 -20.640 18 HD2 LYS 2 2HD LYS 2 1.163 10.085 -18.384 19 HD3 LYS 2 3HD LYS 2 0.058 9.071 -19.310 20 HE2 LYS 2 2HE LYS 2 1.324 9.796 -21.373 21 HE3 LYS 2 3HE LYS 2 2.519 10.502 -20.287 22 HZ1 LYS 2 3HZ LYS 2 2.875 8.313 -19.315 23 HZ2 LYS 2 1HZ LYS 2 3.150 8.272 -20.989 24 HZ3 LYS 2 2HZ LYS 2 1.714 7.644 -20.345 25 H LYS 3 H LYS 3 0.662 14.637 -17.705 26 HA LYS 3 HA LYS 3 1.355 17.245 -18.764 27 HB2 LYS 3 2HB LYS 3 1.721 16.085 -15.997 28 HB3 LYS 3 3HB LYS 3 2.029 17.756 -16.439 29 HG2 LYS 3 2HG LYS 3 -0.371 17.962 -17.062 30 HG3 LYS 3 3HG LYS 3 -0.623 16.338 -16.416 31 HD2 LYS 3 2HD LYS 3 0.261 17.118 -14.234 32 HD3 LYS 3 3HD LYS 3 0.383 18.747 -14.899 33 HE2 LYS 3 2HE LYS 3 -1.644 18.559 -13.614 34 HE3 LYS 3 3HE LYS 3 -2.050 18.713 -15.323 35 HZ1 LYS 3 3HZ LYS 3 -2.352 16.306 -15.410 36 HZ2 LYS 3 1HZ LYS 3 -3.390 17.025 -14.285 37 HZ3 LYS 3 2HZ LYS 3 -2.015 16.192 -13.752 38 H MET 4 H MET 4 3.045 14.565 -17.168 39 HA MET 4 HA MET 4 5.534 15.491 -18.429 40 HB2 MET 4 2HB MET 4 5.170 14.555 -15.579 41 HB3 MET 4 3HB MET 4 6.733 14.766 -16.352 42 HG2 MET 4 2HG MET 4 6.318 17.131 -16.624 43 HG3 MET 4 3HG MET 4 4.701 16.948 -15.948 44 HE1 MET 4 3HE MET 4 7.923 15.083 -14.714 45 HE2 MET 4 1HE MET 4 8.542 16.199 -13.495 46 HE3 MET 4 2HE MET 4 8.561 16.655 -15.201 47 H ALA 5 H ALA 5 6.612 13.968 -19.487 48 HA ALA 5 HA ALA 5 5.641 11.242 -19.446 49 HB1 ALA 5 3HB ALA 5 7.281 10.849 -21.209 50 HB2 ALA 5 1HB ALA 5 7.970 12.451 -20.942 51 HB3 ALA 5 2HB ALA 5 6.326 12.289 -21.556 52 H GLU 6 H GLU 6 6.619 9.528 -18.507 53 HA GLU 6 HA GLU 6 8.507 10.129 -16.416 54 HB2 GLU 6 2HB GLU 6 7.136 7.572 -17.261 55 HB3 GLU 6 3HB GLU 6 8.228 7.686 -15.885 56 HG2 GLU 6 2HG GLU 6 6.751 8.881 -14.625 57 HG3 GLU 6 3HG GLU 6 5.960 9.593 -16.030 58 H PHE 7 H PHE 7 10.368 10.713 -17.496 59 HA PHE 7 HA PHE 7 11.605 8.914 -19.397 60 HB2 PHE 7 2HB PHE 7 12.642 11.464 -18.147 61 HB3 PHE 7 3HB PHE 7 13.421 10.585 -19.455 62 HD1 PHE 7 HD1 PHE 7 11.896 10.183 -21.565 63 HD2 PHE 7 HD2 PHE 7 11.295 13.248 -18.674 64 HE1 PHE 7 HE1 PHE 7 10.624 11.490 -23.217 65 HE2 PHE 7 HE2 PHE 7 10.015 14.556 -20.318 66 HZ PHE 7 HZ PHE 7 9.679 13.677 -22.594 67 H THR 8 H THR 8 12.741 10.406 -16.379 68 HA THR 8 HA THR 8 14.392 8.020 -15.940 69 HB THR 8 HB THR 8 15.833 9.886 -16.284 70 HG1 THR 8 HG1 THR 8 16.778 8.858 -14.653 71 HG21 THR 8 3HG2 THR 8 14.247 11.367 -14.184 72 HG22 THR 8 1HG2 THR 8 14.223 11.692 -15.918 73 HG23 THR 8 2HG2 THR 8 15.699 11.959 -14.991 74 H PHE 9 H PHE 9 14.152 6.902 -14.120 75 HA PHE 9 HA PHE 9 12.865 8.144 -11.821 76 HB2 PHE 9 2HB PHE 9 11.393 6.218 -11.459 77 HB3 PHE 9 3HB PHE 9 11.050 6.983 -13.005 78 HD1 PHE 9 HD1 PHE 9 11.953 5.893 -15.110 79 HD2 PHE 9 HD2 PHE 9 11.923 3.945 -11.326 80 HE1 PHE 9 HE1 PHE 9 12.196 3.719 -16.232 81 HE2 PHE 9 HE2 PHE 9 12.168 1.765 -12.442 82 HZ PHE 9 HZ PHE 9 12.307 1.650 -14.897 83 H GLU 10 H GLU 10 13.878 7.640 -9.974 84 HA GLU 10 HA GLU 10 15.624 5.287 -9.963 85 HB2 GLU 10 2HB GLU 10 17.435 6.622 -8.945 86 HB3 GLU 10 3HB GLU 10 17.053 7.130 -10.583 87 HG2 GLU 10 2HG GLU 10 15.596 8.923 -9.504 88 HG3 GLU 10 3HG GLU 10 16.429 8.517 -8.002 89 H ILE 11 H ILE 11 16.060 4.407 -7.952 90 HA ILE 11 HA ILE 11 14.130 5.106 -5.878 91 HB ILE 11 HB ILE 11 16.010 2.741 -6.064 92 HG12 ILE 11 2HG1 ILE 11 13.030 2.888 -6.573 93 HG13 ILE 11 3HG1 ILE 11 14.255 2.805 -7.832 94 HG21 ILE 11 1HG2 ILE 11 14.667 1.776 -4.265 95 HG22 ILE 11 2HG2 ILE 11 13.700 3.250 -4.190 96 HG23 ILE 11 3HG2 ILE 11 15.409 3.295 -3.760 97 HD11 ILE 11 3HD1 ILE 11 13.257 0.638 -7.468 98 HD12 ILE 11 1HD1 ILE 11 13.688 0.703 -5.759 99 HD13 ILE 11 2HD1 ILE 11 14.952 0.616 -6.985 100 H GLU 12 H GLU 12 14.717 6.302 -4.183 101 HA GLU 12 HA GLU 12 17.533 6.902 -3.813 102 HB2 GLU 12 2HB GLU 12 15.182 8.001 -2.272 103 HB3 GLU 12 3HB GLU 12 16.814 8.654 -2.329 104 HG2 GLU 12 2HG GLU 12 16.232 8.712 -4.939 105 HG3 GLU 12 3HG GLU 12 14.610 8.879 -4.270 106 H GLU 13 H GLU 13 14.859 5.458 -2.022 107 HA GLU 13 HA GLU 13 16.659 3.867 -0.460 108 HB2 GLU 13 2HB GLU 13 16.743 6.005 0.777 109 HB3 GLU 13 3HB GLU 13 14.993 5.988 0.922 110 HG2 GLU 13 2HG GLU 13 16.061 5.284 2.985 111 HG3 GLU 13 3HG GLU 13 15.108 3.976 2.284 112 H HIS 14 H HIS 14 15.552 2.197 0.691 113 HA HIS 14 HA HIS 14 12.696 1.986 -0.007 114 HB2 HIS 14 2HB HIS 14 12.863 -0.355 -0.154 115 HB3 HIS 14 3HB HIS 14 14.313 0.231 -0.951 116 HD1 HIS 14 HD1 HIS 14 13.473 -2.511 0.844 117 HD2 HIS 14 HD2 HIS 14 16.401 0.381 1.503 118 HE1 HIS 14 HE1 HIS 14 15.192 -3.600 2.324 119 HE2 HIS 14 HE2 HIS 14 16.887 -1.802 2.811 120 H LEU 15 H LEU 15 11.228 1.428 1.599 121 HA LEU 15 HA LEU 15 12.053 2.345 4.203 122 HB2 LEU 15 2HB LEU 15 9.357 1.396 3.228 123 HB3 LEU 15 3HB LEU 15 9.666 2.202 4.756 124 HG LEU 15 HG LEU 15 10.136 3.449 2.043 125 HD11 LEU 15 1HD1 LEU 15 8.136 4.774 2.528 126 HD12 LEU 15 2HD1 LEU 15 7.861 3.817 3.985 127 HD13 LEU 15 3HD1 LEU 15 7.768 3.054 2.397 128 HD21 LEU 15 3HD2 LEU 15 10.340 5.529 3.306 129 HD22 LEU 15 1HD2 LEU 15 11.553 4.357 3.820 130 HD23 LEU 15 2HD2 LEU 15 10.126 4.642 4.815 131 H LEU 16 H LEU 16 10.263 -0.530 3.105 132 HA LEU 16 HA LEU 16 11.882 -2.277 4.705 133 HB2 LEU 16 2HB LEU 16 10.114 -3.139 6.132 134 HB3 LEU 16 3HB LEU 16 10.375 -1.435 6.441 135 HG LEU 16 HG LEU 16 8.192 -2.201 4.554 136 HD11 LEU 16 1HD1 LEU 16 7.881 -3.718 6.441 137 HD12 LEU 16 2HD1 LEU 16 6.639 -2.466 6.422 138 HD13 LEU 16 3HD1 LEU 16 7.983 -2.357 7.559 139 HD21 LEU 16 3HD2 LEU 16 8.779 0.157 4.949 140 HD22 LEU 16 1HD2 LEU 16 8.439 -0.064 6.666 141 HD23 LEU 16 2HD2 LEU 16 7.141 -0.226 5.482 142 H THR 17 H THR 17 11.423 -4.505 4.315 143 HA THR 17 HA THR 17 10.016 -4.907 1.771 144 HB THR 17 HB THR 17 11.868 -6.840 3.190 145 HG1 THR 17 HG1 THR 17 12.372 -4.789 1.269 146 HG21 THR 17 3HG2 THR 17 12.022 -7.892 0.984 147 HG22 THR 17 1HG2 THR 17 10.907 -6.695 0.326 148 HG23 THR 17 2HG2 THR 17 10.349 -7.848 1.539 149 H LEU 18 H LEU 18 8.331 -6.379 1.590 150 HA LEU 18 HA LEU 18 7.050 -6.921 4.162 151 HB2 LEU 18 2HB LEU 18 5.877 -6.906 1.386 152 HB3 LEU 18 3HB LEU 18 4.981 -7.080 2.882 153 HG LEU 18 HG LEU 18 6.544 -4.629 2.072 154 HD11 LEU 18 1HD1 LEU 18 4.570 -4.979 0.687 155 HD12 LEU 18 2HD1 LEU 18 4.363 -3.596 1.764 156 HD13 LEU 18 3HD1 LEU 18 3.577 -5.130 2.141 157 HD21 LEU 18 3HD2 LEU 18 4.722 -5.131 4.422 158 HD22 LEU 18 1HD2 LEU 18 5.440 -3.579 3.990 159 HD23 LEU 18 2HD2 LEU 18 6.471 -4.922 4.485 160 H SER 19 H SER 19 7.020 -8.568 0.982 161 HA SER 19 HA SER 19 7.608 -11.100 2.247 162 HB2 SER 19 2HB SER 19 5.469 -12.154 1.497 163 HB3 SER 19 3HB SER 19 5.247 -10.945 2.762 164 HG SER 19 HG SER 19 3.805 -10.224 1.387 165 H GLU 20 H GLU 20 7.299 -12.934 0.550 166 HA GLU 20 HA GLU 20 7.851 -11.932 -2.152 167 HB2 GLU 20 2HB GLU 20 9.659 -13.531 -2.443 168 HB3 GLU 20 3HB GLU 20 10.005 -12.472 -1.083 169 HG2 GLU 20 2HG GLU 20 9.225 -14.242 0.448 170 HG3 GLU 20 3HG GLU 20 8.994 -15.301 -0.942 171 H ASN 21 H ASN 21 7.151 -13.226 -3.820 172 HA ASN 21 HA ASN 21 5.515 -15.562 -3.044 173 HB2 ASN 21 2HB ASN 21 4.292 -13.551 -4.007 174 HB3 ASN 21 3HB ASN 21 5.136 -13.867 -5.521 175 HD21 ASN 21 1HD2 ASN 21 3.297 -14.342 -6.674 176 HD22 ASN 21 2HD2 ASN 21 2.364 -15.772 -6.407 177 H GLU 22 H GLU 22 5.688 -17.432 -4.256 178 HA GLU 22 HA GLU 22 6.933 -19.095 -5.156 179 HB2 GLU 22 2HB GLU 22 7.260 -18.972 -7.546 180 HB3 GLU 22 3HB GLU 22 5.708 -18.279 -7.114 181 HG2 GLU 22 2HG GLU 22 6.460 -16.084 -7.539 182 HG3 GLU 22 3HG GLU 22 8.146 -16.597 -7.609 183 H LYS 23 H LYS 23 8.519 -17.162 -3.630 184 HA LYS 23 HA LYS 23 10.666 -16.632 -3.143 185 HB2 LYS 23 2HB LYS 23 11.120 -19.118 -4.790 186 HB3 LYS 23 3HB LYS 23 12.416 -18.284 -3.941 187 HG2 LYS 23 2HG LYS 23 11.303 -18.658 -1.821 188 HG3 LYS 23 3HG LYS 23 9.951 -19.435 -2.647 189 HD2 LYS 23 2HD LYS 23 12.806 -20.409 -2.722 190 HD3 LYS 23 3HD LYS 23 11.555 -21.044 -1.651 191 HE2 LYS 23 2HE LYS 23 10.223 -21.679 -3.617 192 HE3 LYS 23 3HE LYS 23 11.504 -21.075 -4.665 193 HZ1 LYS 23 3HZ LYS 23 11.571 -23.500 -4.337 194 HZ2 LYS 23 1HZ LYS 23 11.849 -23.257 -2.682 195 HZ3 LYS 23 2HZ LYS 23 12.992 -22.733 -3.817 196 H GLY 24 H GLY 24 9.426 -15.550 -5.659 197 HA2 GLY 24 2HA GLY 24 11.944 -14.605 -6.860 198 HA3 GLY 24 3HA GLY 24 10.644 -15.172 -7.894 199 H TRP 25 H TRP 25 8.558 -14.034 -6.160 200 HA TRP 25 HA TRP 25 8.681 -11.324 -7.241 201 HB2 TRP 25 2HB TRP 25 6.449 -12.904 -5.955 202 HB3 TRP 25 3HB TRP 25 6.286 -11.223 -6.440 203 HD1 TRP 25 HD1 TRP 25 7.827 -14.129 -8.505 204 HE1 TRP 25 HE1 TRP 25 6.499 -14.311 -10.698 205 HE3 TRP 25 HE3 TRP 25 4.287 -10.563 -7.602 206 HZ2 TRP 25 HZ2 TRP 25 4.243 -13.092 -11.896 207 HZ3 TRP 25 HZ3 TRP 25 2.582 -10.130 -9.321 208 HH2 TRP 25 HH2 TRP 25 2.562 -11.370 -11.422 209 H THR 26 H THR 26 9.994 -10.139 -5.834 210 HA THR 26 HA THR 26 9.393 -10.256 -2.986 211 HB THR 26 HB THR 26 11.177 -8.380 -2.943 212 HG1 THR 26 HG1 THR 26 12.187 -9.408 -5.320 213 HG21 THR 26 3HG2 THR 26 11.924 -11.156 -3.869 214 HG22 THR 26 1HG2 THR 26 11.598 -10.672 -2.203 215 HG23 THR 26 2HG2 THR 26 12.996 -10.017 -3.053 216 H LYS 27 H LYS 27 8.287 -8.678 -1.869 217 HA LYS 27 HA LYS 27 7.305 -6.406 -3.457 218 HB2 LYS 27 2HB LYS 27 5.464 -7.857 -3.521 219 HB3 LYS 27 3HB LYS 27 5.710 -8.396 -1.870 220 HG2 LYS 27 2HG LYS 27 4.749 -6.477 -0.975 221 HG3 LYS 27 3HG LYS 27 4.952 -5.562 -2.468 222 HD2 LYS 27 2HD LYS 27 2.594 -6.319 -1.915 223 HD3 LYS 27 3HD LYS 27 3.188 -6.697 -3.531 224 HE2 LYS 27 2HE LYS 27 1.948 -8.557 -2.447 225 HE3 LYS 27 3HE LYS 27 3.592 -8.975 -2.919 226 HZ1 LYS 27 3HZ LYS 27 2.845 -8.148 -0.167 227 HZ2 LYS 27 1HZ LYS 27 4.304 -8.832 -0.682 228 HZ3 LYS 27 2HZ LYS 27 2.896 -9.761 -0.675 229 H GLU 28 H GLU 28 7.472 -4.508 -2.496 230 HA GLU 28 HA GLU 28 7.377 -4.210 0.351 231 HB2 GLU 28 2HB GLU 28 9.638 -3.393 0.668 232 HB3 GLU 28 3HB GLU 28 9.669 -5.044 0.075 233 HG2 GLU 28 2HG GLU 28 10.151 -4.188 -2.184 234 HG3 GLU 28 3HG GLU 28 10.205 -2.552 -1.524 235 H ILE 29 H ILE 29 8.482 -1.829 0.753 236 HA ILE 29 HA ILE 29 7.146 -0.028 -1.165 237 HB ILE 29 HB ILE 29 7.301 0.387 1.827 238 HG12 ILE 29 2HG1 ILE 29 4.920 -0.507 0.186 239 HG13 ILE 29 3HG1 ILE 29 5.869 -1.561 1.227 240 HG21 ILE 29 1HG2 ILE 29 5.763 1.814 -0.341 241 HG22 ILE 29 2HG2 ILE 29 7.143 2.443 0.557 242 HG23 ILE 29 3HG2 ILE 29 5.619 2.136 1.389 243 HD11 ILE 29 3HD1 ILE 29 4.252 0.817 2.116 244 HD12 ILE 29 1HD1 ILE 29 5.204 -0.233 3.166 245 HD13 ILE 29 2HD1 ILE 29 3.809 -0.881 2.304 246 H ASN 30 H ASN 30 8.458 1.500 -1.979 247 HA ASN 30 HA ASN 30 10.708 2.445 -0.367 248 HB2 ASN 30 2HB ASN 30 12.262 2.229 -2.285 249 HB3 ASN 30 3HB ASN 30 11.688 0.673 -1.700 250 HD21 ASN 30 1HD2 ASN 30 11.613 2.965 -4.304 251 HD22 ASN 30 2HD2 ASN 30 10.866 1.926 -5.461 252 H ARG 31 H ARG 31 11.800 4.343 -1.447 253 HA ARG 31 HA ARG 31 9.761 6.139 -2.493 254 HB2 ARG 31 2HB ARG 31 12.609 6.575 -1.600 255 HB3 ARG 31 3HB ARG 31 11.626 7.844 -2.310 256 HG2 ARG 31 2HG ARG 31 10.000 7.545 -0.458 257 HG3 ARG 31 3HG ARG 31 11.120 6.393 0.278 258 HD2 ARG 31 2HD ARG 31 12.817 8.083 0.473 259 HD3 ARG 31 3HD ARG 31 11.835 9.233 -0.429 260 HE ARG 31 HE ARG 31 11.286 8.281 2.303 261 HH11 ARG 31 1HH1 ARG 31 10.750 10.583 -0.291 262 HH12 ARG 31 2HH1 ARG 31 9.966 11.739 0.737 263 HH21 ARG 31 1HH2 ARG 31 10.269 9.812 3.634 264 HH22 ARG 31 2HH2 ARG 31 9.685 11.302 2.951 265 H VAL 32 H VAL 32 9.596 6.728 -4.565 266 HA VAL 32 HA VAL 32 11.891 6.208 -6.345 267 HB VAL 32 HB VAL 32 8.982 6.093 -7.173 268 HG11 VAL 32 1HG1 VAL 32 9.872 5.132 -9.244 269 HG12 VAL 32 2HG1 VAL 32 11.514 5.342 -8.634 270 HG13 VAL 32 3HG1 VAL 32 10.503 6.753 -8.955 271 HG21 VAL 32 3HG2 VAL 32 9.493 4.219 -5.692 272 HG22 VAL 32 1HG2 VAL 32 10.895 3.807 -6.681 273 HG23 VAL 32 2HG2 VAL 32 9.270 3.670 -7.351 274 H SER 33 H SER 33 12.620 7.927 -7.419 275 HA SER 33 HA SER 33 10.981 10.366 -7.371 276 HB2 SER 33 2HB SER 33 13.984 10.013 -7.509 277 HB3 SER 33 3HB SER 33 13.156 11.568 -7.610 278 HG SER 33 HG SER 33 13.949 10.807 -5.458 279 H PHE 34 H PHE 34 10.113 10.945 -9.233 280 HA PHE 34 HA PHE 34 11.204 9.878 -11.738 281 HB2 PHE 34 2HB PHE 34 8.505 11.129 -11.162 282 HB3 PHE 34 3HB PHE 34 9.009 10.473 -12.712 283 HD1 PHE 34 HD1 PHE 34 7.979 9.664 -9.292 284 HD2 PHE 34 HD2 PHE 34 9.069 8.105 -13.095 285 HE1 PHE 34 HE1 PHE 34 7.082 7.467 -8.642 286 HE2 PHE 34 HE2 PHE 34 8.174 5.906 -12.455 287 HZ PHE 34 HZ PHE 34 7.178 5.586 -10.227 288 H ASN 35 H ASN 35 12.405 11.183 -12.941 289 HA ASN 35 HA ASN 35 13.342 13.032 -13.869 290 HB2 ASN 35 2HB ASN 35 10.408 13.650 -13.916 291 HB3 ASN 35 3HB ASN 35 11.571 14.818 -14.537 292 HD21 ASN 35 1HD2 ASN 35 12.723 14.351 -16.386 293 HD22 ASN 35 2HD2 ASN 35 12.298 13.059 -17.448 294 H GLY 36 H GLY 36 13.349 12.967 -11.017 295 HA2 GLY 36 2HA GLY 36 14.462 15.374 -10.307 296 HA3 GLY 36 3HA GLY 36 12.745 15.544 -9.937 297 H ALA 37 H ALA 37 13.514 15.696 -7.653 298 HA ALA 37 HA ALA 37 13.604 12.953 -6.603 299 HB1 ALA 37 3HB ALA 37 15.861 13.900 -6.479 300 HB2 ALA 37 1HB ALA 37 15.183 13.582 -4.882 301 HB3 ALA 37 2HB ALA 37 15.238 15.232 -5.505 302 HA PRO 38 HA PRO 38 10.357 15.088 -4.154 303 HB2 PRO 38 2HB PRO 38 8.326 13.488 -5.365 304 HB3 PRO 38 3HB PRO 38 8.533 15.235 -5.496 305 HG2 PRO 38 2HG PRO 38 8.834 13.422 -7.577 306 HG3 PRO 38 3HG PRO 38 9.480 15.070 -7.552 307 HD2 PRO 38 2HD PRO 38 10.864 12.483 -7.003 308 HD3 PRO 38 3HD PRO 38 11.475 13.946 -7.808 309 H ALA 39 H ALA 39 11.199 11.938 -5.234 310 HA ALA 39 HA ALA 39 11.159 9.855 -4.362 311 HB1 ALA 39 3HB ALA 39 11.609 11.313 -1.769 312 HB2 ALA 39 1HB ALA 39 12.849 11.037 -2.999 313 HB3 ALA 39 2HB ALA 39 12.100 9.669 -2.180 314 H LYS 40 H LYS 40 8.730 10.028 -4.878 315 HA LYS 40 HA LYS 40 7.042 10.049 -2.532 316 HB2 LYS 40 2HB LYS 40 6.402 9.499 -5.437 317 HB3 LYS 40 3HB LYS 40 5.208 9.517 -4.142 318 HG2 LYS 40 2HG LYS 40 5.976 11.880 -3.656 319 HG3 LYS 40 3HG LYS 40 6.856 11.805 -5.181 320 HD2 LYS 40 2HD LYS 40 4.751 11.354 -6.363 321 HD3 LYS 40 3HD LYS 40 3.878 11.442 -4.832 322 HE2 LYS 40 2HE LYS 40 4.724 13.769 -4.557 323 HE3 LYS 40 3HE LYS 40 5.417 13.660 -6.173 324 HZ1 LYS 40 3HZ LYS 40 3.306 14.775 -6.245 325 HZ2 LYS 40 1HZ LYS 40 2.531 13.482 -5.478 326 HZ3 LYS 40 2HZ LYS 40 3.161 13.288 -7.042 327 H PHE 41 H PHE 41 5.534 8.183 -2.170 328 HA PHE 41 HA PHE 41 7.294 5.895 -1.832 329 HB2 PHE 41 2HB PHE 41 4.550 6.371 -0.660 330 HB3 PHE 41 3HB PHE 41 5.729 5.171 -0.141 331 HD1 PHE 41 HD2 PHE 41 7.709 5.835 1.112 332 HD2 PHE 41 HD1 PHE 41 4.752 8.674 -0.030 333 HE1 PHE 41 HE2 PHE 41 8.628 7.440 2.734 334 HE2 PHE 41 HE1 PHE 41 5.666 10.284 1.588 335 HZ PHE 41 HZ PHE 41 7.607 9.667 2.973 336 H ASP 42 H ASP 42 7.198 4.207 -3.134 337 HA ASP 42 HA ASP 42 4.664 3.662 -4.531 338 HB2 ASP 42 2HB ASP 42 6.534 4.326 -6.029 339 HB3 ASP 42 3HB ASP 42 7.465 2.955 -5.439 340 H ILE 43 H ILE 43 3.741 1.737 -4.235 341 HA ILE 43 HA ILE 43 5.220 -0.293 -2.677 342 HB ILE 43 HB ILE 43 2.218 0.072 -2.785 343 HG12 ILE 43 2HG1 ILE 43 4.147 0.951 -0.620 344 HG13 ILE 43 3HG1 ILE 43 3.284 2.025 -1.717 345 HG21 ILE 43 1HG2 ILE 43 2.977 -2.192 -2.260 346 HG22 ILE 43 2HG2 ILE 43 2.201 -1.436 -0.870 347 HG23 ILE 43 3HG2 ILE 43 3.956 -1.561 -0.936 348 HD11 ILE 43 3HD1 ILE 43 2.256 1.935 0.494 349 HD12 ILE 43 1HD1 ILE 43 2.001 0.201 0.306 350 HD13 ILE 43 2HD1 ILE 43 1.168 1.336 -0.758 351 H ARG 44 H ARG 44 5.777 -1.988 -3.978 352 HA ARG 44 HA ARG 44 3.748 -3.114 -5.702 353 HB2 ARG 44 2HB ARG 44 4.886 -2.885 -7.791 354 HB3 ARG 44 3HB ARG 44 4.726 -1.282 -7.086 355 HG2 ARG 44 2HG ARG 44 7.045 -1.340 -6.377 356 HG3 ARG 44 3HG ARG 44 7.213 -2.979 -7.009 357 HD2 ARG 44 2HD ARG 44 8.128 -1.379 -8.586 358 HD3 ARG 44 3HD ARG 44 6.687 -2.141 -9.263 359 HE ARG 44 HE ARG 44 6.270 0.394 -7.893 360 HH11 ARG 44 1HH1 ARG 44 6.750 -1.253 -10.951 361 HH12 ARG 44 2HH1 ARG 44 6.130 0.055 -11.906 362 HH21 ARG 44 1HH2 ARG 44 5.472 2.121 -9.121 363 HH22 ARG 44 2HH2 ARG 44 5.426 1.997 -10.866 364 H ALA 45 H ALA 45 4.610 -4.975 -6.981 365 HA ALA 45 HA ALA 45 6.611 -6.441 -5.411 366 HB1 ALA 45 3HB ALA 45 4.554 -7.511 -7.343 367 HB2 ALA 45 1HB ALA 45 4.400 -7.499 -5.586 368 HB3 ALA 45 2HB ALA 45 5.657 -8.469 -6.354 369 H TRP 46 H TRP 46 8.352 -7.366 -6.404 370 HA TRP 46 HA TRP 46 8.918 -6.450 -9.134 371 HB2 TRP 46 2HB TRP 46 10.833 -7.251 -6.926 372 HB3 TRP 46 3HB TRP 46 11.294 -6.667 -8.522 373 HD1 TRP 46 HD1 TRP 46 9.601 -5.407 -5.278 374 HE1 TRP 46 HE1 TRP 46 9.896 -2.850 -5.152 375 HE3 TRP 46 HE3 TRP 46 11.786 -4.616 -9.836 376 HZ2 TRP 46 HZ2 TRP 46 10.921 -0.779 -6.773 377 HZ3 TRP 46 HZ3 TRP 46 12.391 -2.320 -10.470 378 HH2 TRP 46 HH2 TRP 46 11.967 -0.441 -8.972 379 H SER 47 H SER 47 9.101 -7.922 -10.669 380 HA SER 47 HA SER 47 9.378 -10.749 -9.902 381 HB2 SER 47 2HB SER 47 7.029 -10.035 -10.560 382 HB3 SER 47 3HB SER 47 7.667 -9.692 -12.168 383 HG SER 47 HG SER 47 7.183 -12.121 -10.911 384 HA PRO 48 HA PRO 48 12.638 -11.073 -12.988 385 HB2 PRO 48 2HB PRO 48 11.117 -13.426 -14.009 386 HB3 PRO 48 3HB PRO 48 12.821 -13.297 -13.556 387 HG2 PRO 48 2HG PRO 48 11.073 -14.529 -11.965 388 HG3 PRO 48 3HG PRO 48 12.381 -13.537 -11.298 389 HD2 PRO 48 2HD PRO 48 9.474 -12.924 -11.548 390 HD3 PRO 48 3HD PRO 48 10.624 -12.454 -10.281 391 H ASP 49 H ASP 49 12.526 -9.550 -14.514 392 HA ASP 49 HA ASP 49 10.120 -8.902 -15.864 393 HB2 ASP 49 2HB ASP 49 11.837 -7.240 -15.218 394 HB3 ASP 49 3HB ASP 49 12.930 -7.931 -16.408 395 H HIS 50 H HIS 50 9.521 -10.738 -17.024 396 HA HIS 50 HA HIS 50 10.818 -10.936 -19.637 397 HB2 HIS 50 2HB HIS 50 10.087 -13.402 -18.037 398 HB3 HIS 50 3HB HIS 50 10.759 -13.371 -19.660 399 HD1 HIS 50 HD1 HIS 50 11.691 -13.656 -16.189 400 HD2 HIS 50 HD2 HIS 50 13.530 -12.338 -19.676 401 HE1 HIS 50 HE1 HIS 50 14.160 -13.653 -15.694 402 HE2 HIS 50 HE2 HIS 50 15.259 -13.051 -17.882 403 H THR 51 H THR 51 8.375 -12.910 -18.017 404 HA THR 51 HA THR 51 6.468 -12.120 -20.109 405 HB THR 51 HB THR 51 7.004 -14.472 -20.249 406 HG1 THR 51 HG1 THR 51 4.505 -13.567 -19.625 407 HG21 THR 51 3HG2 THR 51 6.515 -16.019 -18.390 408 HG22 THR 51 1HG2 THR 51 6.163 -14.634 -17.353 409 HG23 THR 51 2HG2 THR 51 7.791 -14.869 -17.988 410 H LYS 52 H LYS 52 7.091 -11.952 -16.775 411 HA LYS 52 HA LYS 52 4.337 -11.104 -16.282 412 HB2 LYS 52 2HB LYS 52 4.394 -12.263 -14.071 413 HB3 LYS 52 3HB LYS 52 4.374 -13.351 -15.449 414 HG2 LYS 52 2HG LYS 52 6.837 -13.610 -15.204 415 HG3 LYS 52 3HG LYS 52 6.744 -12.644 -13.731 416 HD2 LYS 52 2HD LYS 52 5.275 -14.278 -12.712 417 HD3 LYS 52 3HD LYS 52 5.233 -15.214 -14.206 418 HE2 LYS 52 2HE LYS 52 7.719 -15.483 -13.987 419 HE3 LYS 52 3HE LYS 52 7.588 -14.757 -12.385 420 HZ1 LYS 52 3HZ LYS 52 6.091 -17.174 -13.221 421 HZ2 LYS 52 1HZ LYS 52 6.214 -16.543 -11.653 422 HZ3 LYS 52 2HZ LYS 52 7.573 -17.228 -12.402 423 H MET 53 H MET 53 4.074 -9.589 -14.656 424 HA MET 53 HA MET 53 6.524 -8.433 -13.515 425 HB2 MET 53 2HB MET 53 4.298 -6.902 -14.880 426 HB3 MET 53 3HB MET 53 5.583 -6.159 -13.943 427 HG2 MET 53 2HG MET 53 7.233 -6.988 -15.530 428 HG3 MET 53 3HG MET 53 5.955 -7.770 -16.459 429 HE1 MET 53 3HE MET 53 6.866 -6.547 -18.635 430 HE2 MET 53 1HE MET 53 8.108 -5.730 -17.691 431 HE3 MET 53 2HE MET 53 7.064 -4.800 -18.766 432 H GLY 54 H GLY 54 6.095 -7.111 -11.599 433 HA2 GLY 54 2HA GLY 54 3.940 -8.281 -10.041 434 HA3 GLY 54 3HA GLY 54 5.215 -7.231 -9.440 435 H LYS 55 H LYS 55 2.154 -7.257 -9.270 436 HA LYS 55 HA LYS 55 1.377 -4.773 -10.467 437 HB2 LYS 55 2HB LYS 55 0.084 -6.449 -8.308 438 HB3 LYS 55 3HB LYS 55 -0.632 -4.986 -8.963 439 HG2 LYS 55 2HG LYS 55 -0.621 -6.048 -11.207 440 HG3 LYS 55 3HG LYS 55 -0.050 -7.536 -10.451 441 HD2 LYS 55 2HD LYS 55 -2.065 -7.653 -9.095 442 HD3 LYS 55 3HD LYS 55 -2.622 -6.114 -9.753 443 HE2 LYS 55 2HE LYS 55 -2.684 -7.127 -12.001 444 HE3 LYS 55 3HE LYS 55 -2.193 -8.668 -11.303 445 HZ1 LYS 55 3HZ LYS 55 -4.683 -7.209 -10.568 446 HZ2 LYS 55 1HZ LYS 55 -4.233 -8.764 -10.063 447 HZ3 LYS 55 2HZ LYS 55 -4.612 -8.481 -11.688 448 H GLY 56 H GLY 56 0.689 -2.875 -9.167 449 HA2 GLY 56 2HA GLY 56 1.501 -2.495 -6.504 450 HA3 GLY 56 3HA GLY 56 2.775 -1.915 -7.569 451 H ILE 57 H ILE 57 1.923 -0.006 -6.121 452 HA ILE 57 HA ILE 57 0.479 1.708 -7.933 453 HB ILE 57 HB ILE 57 -1.382 0.644 -6.753 454 HG12 ILE 57 2HG1 ILE 57 -0.980 3.504 -5.851 455 HG13 ILE 57 3HG1 ILE 57 -1.562 3.014 -7.438 456 HG21 ILE 57 1HG2 ILE 57 -0.287 0.015 -4.696 457 HG22 ILE 57 2HG2 ILE 57 -1.707 0.999 -4.340 458 HG23 ILE 57 3HG2 ILE 57 -0.096 1.709 -4.246 459 HD11 ILE 57 3HD1 ILE 57 -3.529 2.009 -6.411 460 HD12 ILE 57 1HD1 ILE 57 -3.389 3.717 -5.998 461 HD13 ILE 57 2HD1 ILE 57 -2.941 2.486 -4.818 462 H THR 58 H THR 58 1.161 3.762 -7.741 463 HA THR 58 HA THR 58 3.142 4.365 -5.710 464 HB THR 58 HB THR 58 2.203 6.239 -7.880 465 HG1 THR 58 HG1 THR 58 4.122 4.115 -8.067 466 HG21 THR 58 3HG2 THR 58 4.521 7.066 -7.722 467 HG22 THR 58 1HG2 THR 58 4.847 5.885 -6.454 468 HG23 THR 58 2HG2 THR 58 3.681 7.180 -6.175 469 H LEU 59 H LEU 59 2.814 5.679 -3.996 470 HA LEU 59 HA LEU 59 0.190 7.015 -3.784 471 HB2 LEU 59 2HB LEU 59 1.972 6.083 -1.530 472 HB3 LEU 59 3HB LEU 59 0.368 6.770 -1.376 473 HG LEU 59 HG LEU 59 1.059 4.083 -2.565 474 HD11 LEU 59 1HD1 LEU 59 -0.425 4.845 -0.054 475 HD12 LEU 59 2HD1 LEU 59 1.199 4.159 -0.134 476 HD13 LEU 59 3HD1 LEU 59 -0.191 3.206 -0.661 477 HD21 LEU 59 3HD2 LEU 59 -1.362 3.750 -2.734 478 HD22 LEU 59 1HD2 LEU 59 -0.808 5.069 -3.766 479 HD23 LEU 59 2HD2 LEU 59 -1.622 5.423 -2.242 480 H SER 60 H SER 60 0.129 9.136 -3.027 481 HA SER 60 HA SER 60 2.651 10.569 -3.227 482 HB2 SER 60 2HB SER 60 1.271 12.601 -3.093 483 HB3 SER 60 3HB SER 60 0.660 11.506 -4.330 484 HG SER 60 HG SER 60 -0.754 12.577 -2.511 485 H ASN 61 H ASN 61 2.909 12.414 -1.522 486 HA ASN 61 HA ASN 61 3.497 11.197 0.934 487 HB2 ASN 61 2HB ASN 61 3.228 14.116 0.189 488 HB3 ASN 61 3HB ASN 61 3.801 13.569 1.761 489 HD21 ASN 61 1HD2 ASN 61 4.523 13.842 -1.629 490 HD22 ASN 61 2HD2 ASN 61 6.211 13.470 -1.494 491 H GLU 62 H GLU 62 0.792 13.186 -0.097 492 HA GLU 62 HA GLU 62 -0.520 13.508 2.347 493 HB2 GLU 62 2HB GLU 62 -1.991 13.109 -0.255 494 HB3 GLU 62 3HB GLU 62 -2.448 14.114 1.109 495 HG2 GLU 62 2HG GLU 62 -1.772 15.659 -0.455 496 HG3 GLU 62 3HG GLU 62 -0.323 15.461 0.531 497 H GLU 63 H GLU 63 -1.054 11.054 -0.163 498 HA GLU 63 HA GLU 63 -3.094 9.661 1.190 499 HB2 GLU 63 2HB GLU 63 -1.195 8.567 -0.892 500 HB3 GLU 63 3HB GLU 63 -2.794 7.948 -0.496 501 HG2 GLU 63 2HG GLU 63 -3.849 9.865 -1.413 502 HG3 GLU 63 3HG GLU 63 -2.308 10.705 -1.580 503 H PHE 64 H PHE 64 0.396 9.117 0.956 504 HA PHE 64 HA PHE 64 0.422 6.614 2.239 505 HB2 PHE 64 2HB PHE 64 2.246 7.805 0.831 506 HB3 PHE 64 3HB PHE 64 2.728 8.536 2.358 507 HD1 PHE 64 HD2 PHE 64 2.295 5.336 0.581 508 HD2 PHE 64 HD1 PHE 64 3.981 7.314 3.949 509 HE1 PHE 64 HE2 PHE 64 3.632 3.335 1.084 510 HE2 PHE 64 HE1 PHE 64 5.316 5.316 4.456 511 HZ PHE 64 HZ PHE 64 5.146 3.324 3.020 512 H GLN 65 H GLN 65 1.026 9.894 3.504 513 HA GLN 65 HA GLN 65 1.531 9.099 6.160 514 HB2 GLN 65 2HB GLN 65 1.896 11.402 5.012 515 HB3 GLN 65 3HB GLN 65 0.221 11.722 5.441 516 HG2 GLN 65 2HG GLN 65 2.319 10.938 7.450 517 HG3 GLN 65 3HG GLN 65 1.959 12.607 7.024 518 HE21 GLN 65 1HE2 GLN 65 1.702 11.161 9.561 519 HE22 GLN 65 2HE2 GLN 65 0.049 11.302 10.048 520 H THR 66 H THR 66 -1.424 9.888 4.420 521 HA THR 66 HA THR 66 -3.268 9.963 6.494 522 HB THR 66 HB THR 66 -3.609 8.927 3.677 523 HG1 THR 66 HG1 THR 66 -3.080 11.087 3.660 524 HG21 THR 66 3HG2 THR 66 -6.024 9.356 4.017 525 HG22 THR 66 1HG2 THR 66 -5.708 9.652 5.727 526 HG23 THR 66 2HG2 THR 66 -5.414 8.051 5.039 527 H MET 67 H MET 67 -2.221 7.146 4.572 528 HA MET 67 HA MET 67 -3.910 5.322 5.901 529 HB2 MET 67 2HB MET 67 -2.855 3.624 4.685 530 HB3 MET 67 3HB MET 67 -2.701 5.033 3.647 531 HG2 MET 67 2HG MET 67 -0.416 5.335 4.287 532 HG3 MET 67 3HG MET 67 -0.546 4.062 5.497 533 HE1 MET 67 3HE MET 67 1.855 3.886 3.705 534 HE2 MET 67 1HE MET 67 1.789 2.225 3.114 535 HE3 MET 67 2HE MET 67 1.375 2.581 4.792 536 H VAL 68 H VAL 68 -0.713 6.549 6.617 537 HA VAL 68 HA VAL 68 0.121 4.610 8.454 538 HB VAL 68 HB VAL 68 0.734 7.567 8.379 539 HG11 VAL 68 1HG1 VAL 68 1.135 6.648 10.615 540 HG12 VAL 68 2HG1 VAL 68 2.640 7.075 9.803 541 HG13 VAL 68 3HG1 VAL 68 2.147 5.384 9.911 542 HG21 VAL 68 3HG2 VAL 68 1.449 6.385 6.390 543 HG22 VAL 68 1HG2 VAL 68 2.248 5.161 7.378 544 HG23 VAL 68 2HG2 VAL 68 2.849 6.818 7.369 545 H ASP 69 H ASP 69 -1.590 7.686 9.078 546 HA ASP 69 HA ASP 69 -1.943 7.212 11.855 547 HB2 ASP 69 2HB ASP 69 -2.992 9.153 9.875 548 HB3 ASP 69 3HB ASP 69 -3.982 8.903 11.308 549 H ALA 70 H ALA 70 -3.952 6.582 9.032 550 HA ALA 70 HA ALA 70 -6.282 5.813 10.428 551 HB1 ALA 70 3HB ALA 70 -6.291 6.472 8.076 552 HB2 ALA 70 1HB ALA 70 -7.033 4.889 8.309 553 HB3 ALA 70 2HB ALA 70 -5.396 5.009 7.664 554 H PHE 71 H PHE 71 -3.701 3.844 8.950 555 HA PHE 71 HA PHE 71 -4.742 1.366 9.803 556 HB2 PHE 71 2HB PHE 71 -1.935 2.154 9.057 557 HB3 PHE 71 3HB PHE 71 -2.418 0.498 9.414 558 HD1 PHE 71 HD1 PHE 71 -5.239 0.873 8.138 559 HD2 PHE 71 HD2 PHE 71 -1.273 1.639 6.796 560 HE1 PHE 71 HE1 PHE 71 -5.978 0.602 5.814 561 HE2 PHE 71 HE2 PHE 71 -2.012 1.363 4.467 562 HZ PHE 71 HZ PHE 71 -4.366 0.850 3.980 563 H LYS 72 H LYS 72 -2.803 3.742 11.486 564 HA LYS 72 HA LYS 72 -1.992 2.161 13.660 565 HB2 LYS 72 2HB LYS 72 -1.281 4.527 13.317 566 HB3 LYS 72 3HB LYS 72 -2.898 5.047 13.772 567 HG2 LYS 72 2HG LYS 72 -2.618 4.154 15.990 568 HG3 LYS 72 3HG LYS 72 -1.054 3.467 15.549 569 HD2 LYS 72 2HD LYS 72 -0.269 5.793 15.067 570 HD3 LYS 72 3HD LYS 72 -1.789 6.381 15.743 571 HE2 LYS 72 2HE LYS 72 -1.270 5.338 17.875 572 HE3 LYS 72 3HE LYS 72 0.219 4.673 17.205 573 HZ1 LYS 72 3HZ LYS 72 0.999 6.949 16.833 574 HZ2 LYS 72 1HZ LYS 72 0.689 6.645 18.476 575 HZ3 LYS 72 2HZ LYS 72 -0.411 7.554 17.554 576 H GLY 73 H GLY 73 -4.958 3.964 13.064 577 HA2 GLY 73 2HA GLY 73 -6.193 2.882 15.478 578 HA3 GLY 73 3HA GLY 73 -6.910 4.043 14.369 579 H ASN 74 H ASN 74 -5.449 1.088 13.237 580 HA ASN 74 HA ASN 74 -8.099 -0.101 12.839 581 HB2 ASN 74 2HB ASN 74 -6.262 0.838 10.743 582 HB3 ASN 74 3HB ASN 74 -6.845 -0.805 10.513 583 HD21 ASN 74 1HD2 ASN 74 -7.679 2.544 10.635 584 HD22 ASN 74 2HD2 ASN 74 -9.279 2.382 9.992 585 H LEU 75 H LEU 75 -4.579 -0.607 12.558 586 HA LEU 75 HA LEU 75 -5.093 -3.463 13.014 587 HB2 LEU 75 2HB LEU 75 -4.815 -3.070 10.636 588 HB3 LEU 75 3HB LEU 75 -3.302 -2.238 10.924 589 HG LEU 75 HG LEU 75 -2.269 -4.320 11.666 590 HD11 LEU 75 1HD1 LEU 75 -4.255 -5.359 12.639 591 HD12 LEU 75 2HD1 LEU 75 -3.445 -6.434 11.501 592 HD13 LEU 75 3HD1 LEU 75 -4.921 -5.593 11.023 593 HD21 LEU 75 3HD2 LEU 75 -3.713 -4.557 9.024 594 HD22 LEU 75 1HD2 LEU 75 -2.304 -5.498 9.510 595 HD23 LEU 75 2HD2 LEU 75 -2.169 -3.752 9.305 596 H GLU 76 H GLU 76 -4.362 -3.347 15.145 597 HA GLU 76 HA GLU 76 -1.573 -4.023 15.251 598 HB2 GLU 76 2HB GLU 76 -0.877 -2.535 16.993 599 HB3 GLU 76 3HB GLU 76 -1.528 -1.546 15.696 600 HG2 GLU 76 2HG GLU 76 -3.517 -1.113 16.915 601 HG3 GLU 76 3HG GLU 76 -3.120 -2.339 18.117 602 H HIS 77 H HIS 77 -1.072 -5.181 17.267 603 HA HIS 77 HA HIS 77 -3.548 -6.329 18.342 604 HB2 HIS 77 2HB HIS 77 -0.747 -7.422 18.185 605 HB3 HIS 77 3HB HIS 77 -1.993 -8.167 19.183 606 HD1 HIS 77 HD1 HIS 77 -0.521 -9.129 16.338 607 HD2 HIS 77 HD2 HIS 77 -4.476 -8.032 17.041 608 HE1 HIS 77 HE1 HIS 77 -1.865 -10.196 14.497 609 HE2 HIS 77 HE2 HIS 77 -4.272 -9.691 15.069 610 H HIS 78 H HIS 78 -0.327 -6.193 19.855 611 HA HIS 78 HA HIS 78 0.348 -5.451 21.907 612 HB2 HIS 78 2HB HIS 78 -0.232 -3.286 20.859 613 HB3 HIS 78 3HB HIS 78 -1.873 -3.435 21.467 614 HD1 HIS 78 HD1 HIS 78 -2.034 -1.588 23.105 615 HD2 HIS 78 HD2 HIS 78 1.468 -3.782 23.573 616 HE1 HIS 78 HE1 HIS 78 -0.954 -0.696 25.193 617 HE2 HIS 78 HE2 HIS 78 1.241 -1.928 25.369 618 H HIS 79 H HIS 79 -1.766 -7.499 21.715 619 HA HIS 79 HA HIS 79 -3.241 -8.681 22.959 620 HB2 HIS 79 2HB HIS 79 -1.968 -7.040 25.137 621 HB3 HIS 79 3HB HIS 79 -3.311 -8.119 25.489 622 HD1 HIS 79 HD1 HIS 79 -2.524 -10.275 26.374 623 HD2 HIS 79 HD2 HIS 79 0.143 -8.691 23.599 624 HE1 HIS 79 HE1 HIS 79 -0.634 -11.925 26.232 625 HE2 HIS 79 HE2 HIS 79 0.902 -11.016 24.452 626 H HIS 80 H HIS 80 -5.214 -8.208 22.196 627 HA HIS 80 HA HIS 80 -6.406 -5.651 23.015 628 HB2 HIS 80 2HB HIS 80 -7.960 -5.904 21.116 629 HB3 HIS 80 3HB HIS 80 -6.283 -5.875 20.603 630 HD1 HIS 80 HD1 HIS 80 -6.472 -7.156 18.469 631 HD2 HIS 80 HD2 HIS 80 -8.223 -9.162 21.662 632 HE1 HIS 80 HE1 HIS 80 -7.048 -9.443 17.603 633 HE2 HIS 80 HE2 HIS 80 -8.285 -10.564 19.491 634 H HIS 81 H HIS 81 -8.587 -5.564 23.657 635 HA HIS 81 HA HIS 81 -9.698 -8.137 24.600 636 HB2 HIS 81 2HB HIS 81 -10.068 -5.410 25.883 637 HB3 HIS 81 3HB HIS 81 -10.704 -6.939 26.478 638 HD1 HIS 81 HD1 HIS 81 -9.185 -8.345 27.943 639 HD2 HIS 81 HD2 HIS 81 -7.237 -5.117 26.182 640 HE1 HIS 81 HE1 HIS 81 -6.926 -8.227 29.046 641 HE2 HIS 81 HE2 HIS 81 -5.831 -6.165 28.079 642 H HIS 82 H HIS 82 -12.257 -7.430 25.177 643 HA HIS 82 HA HIS 82 -13.208 -6.247 22.665 644 HB2 HIS 82 2HB HIS 82 -15.449 -7.214 23.266 645 HB3 HIS 82 3HB HIS 82 -14.193 -8.401 22.959 646 HD1 HIS 82 HD1 HIS 82 -16.480 -7.132 25.612 647 HD2 HIS 82 HD2 HIS 82 -13.426 -9.925 25.206 648 HE1 HIS 82 HE1 HIS 82 -16.625 -8.602 27.650 649 HE2 HIS 82 HE2 HIS 82 -14.923 -10.417 27.258 650 H1 MET 1 1H MET 1 -10.466 -20.352 -2.709 651 H2 MET 1 2H MET 1 -10.357 -18.664 -2.629 652 H3 MET 1 3H MET 1 -10.721 -19.557 -1.236 653 HA MET 1 HA MET 1 -8.431 -18.798 -1.209 654 HB2 MET 1 2HB MET 1 -7.383 -20.947 -0.728 655 HB3 MET 1 3HB MET 1 -9.026 -20.916 -0.101 656 HG2 MET 1 2HG MET 1 -9.800 -22.230 -1.979 657 HG3 MET 1 3HG MET 1 -8.191 -22.201 -2.691 658 HE1 MET 1 3HE MET 1 -8.745 -25.937 -1.545 659 HE2 MET 1 1HE MET 1 -8.403 -24.879 -2.914 660 HE3 MET 1 2HE MET 1 -9.980 -24.820 -2.126 661 H LYS 2 H LYS 2 -9.493 -19.807 -4.232 662 HA LYS 2 HA LYS 2 -7.005 -20.757 -5.275 663 HB2 LYS 2 2HB LYS 2 -9.468 -19.890 -6.794 664 HB3 LYS 2 3HB LYS 2 -8.158 -20.900 -7.397 665 HG2 LYS 2 2HG LYS 2 -8.745 -22.556 -5.602 666 HG3 LYS 2 3HG LYS 2 -10.180 -21.586 -5.278 667 HD2 LYS 2 2HD LYS 2 -10.864 -23.326 -6.733 668 HD3 LYS 2 3HD LYS 2 -10.764 -21.867 -7.721 669 HE2 LYS 2 2HE LYS 2 -8.582 -22.554 -8.546 670 HE3 LYS 2 3HE LYS 2 -8.624 -23.983 -7.517 671 HZ1 LYS 2 3HZ LYS 2 -9.242 -24.603 -9.719 672 HZ2 LYS 2 1HZ LYS 2 -10.412 -23.379 -9.808 673 HZ3 LYS 2 2HZ LYS 2 -10.635 -24.689 -8.752 674 H LYS 3 H LYS 3 -5.666 -19.775 -6.786 675 HA LYS 3 HA LYS 3 -5.585 -16.857 -6.466 676 HB2 LYS 3 2HB LYS 3 -3.165 -17.101 -7.045 677 HB3 LYS 3 3HB LYS 3 -3.635 -17.955 -5.581 678 HG2 LYS 3 2HG LYS 3 -3.626 -20.056 -6.729 679 HG3 LYS 3 3HG LYS 3 -3.369 -19.259 -8.281 680 HD2 LYS 3 2HD LYS 3 -1.294 -20.219 -7.475 681 HD3 LYS 3 3HD LYS 3 -1.184 -18.459 -7.485 682 HE2 LYS 3 2HE LYS 3 -1.607 -18.406 -5.088 683 HE3 LYS 3 3HE LYS 3 -1.785 -20.161 -5.068 684 HZ1 LYS 3 3HZ LYS 3 0.498 -20.416 -5.684 685 HZ2 LYS 3 1HZ LYS 3 0.425 -19.387 -4.338 686 HZ3 LYS 3 2HZ LYS 3 0.692 -18.742 -5.884 687 H MET 4 H MET 4 -5.533 -19.421 -8.868 688 HA MET 4 HA MET 4 -5.039 -17.476 -10.995 689 HB2 MET 4 2HB MET 4 -5.189 -20.492 -11.047 690 HB3 MET 4 3HB MET 4 -4.868 -19.487 -12.453 691 HG2 MET 4 2HG MET 4 -3.169 -19.692 -9.980 692 HG3 MET 4 3HG MET 4 -2.813 -20.390 -11.560 693 HE1 MET 4 3HE MET 4 -0.398 -19.208 -11.343 694 HE2 MET 4 1HE MET 4 -0.858 -18.443 -9.822 695 HE3 MET 4 2HE MET 4 -0.182 -17.470 -11.128 696 H ALA 5 H ALA 5 -7.596 -17.998 -9.385 697 HA ALA 5 HA ALA 5 -9.364 -17.594 -11.639 698 HB1 ALA 5 3HB ALA 5 -10.972 -19.295 -10.952 699 HB2 ALA 5 1HB ALA 5 -9.880 -19.824 -9.673 700 HB3 ALA 5 2HB ALA 5 -9.424 -20.030 -11.365 701 H GLU 6 H GLU 6 -9.726 -15.545 -10.884 702 HA GLU 6 HA GLU 6 -10.585 -15.093 -8.163 703 HB2 GLU 6 2HB GLU 6 -10.523 -13.237 -10.555 704 HB3 GLU 6 3HB GLU 6 -10.865 -12.746 -8.902 705 HG2 GLU 6 2HG GLU 6 -8.671 -13.173 -8.201 706 HG3 GLU 6 3HG GLU 6 -8.301 -14.103 -9.653 707 H PHE 7 H PHE 7 -12.368 -16.657 -8.339 708 HA PHE 7 HA PHE 7 -14.550 -16.392 -10.044 709 HB2 PHE 7 2HB PHE 7 -14.426 -17.475 -7.228 710 HB3 PHE 7 3HB PHE 7 -15.840 -17.611 -8.264 711 HD1 PHE 7 HD2 PHE 7 -15.560 -18.828 -10.488 712 HD2 PHE 7 HD1 PHE 7 -12.742 -19.067 -7.307 713 HE1 PHE 7 HE2 PHE 7 -14.662 -20.912 -11.442 714 HE2 PHE 7 HE1 PHE 7 -11.846 -21.152 -8.251 715 HZ PHE 7 HZ PHE 7 -12.802 -22.077 -10.322 716 H THR 8 H THR 8 -14.850 -15.683 -6.596 717 HA THR 8 HA THR 8 -16.378 -13.277 -7.308 718 HB THR 8 HB THR 8 -17.038 -15.073 -4.971 719 HG1 THR 8 HG1 THR 8 -18.475 -16.123 -6.241 720 HG21 THR 8 3HG2 THR 8 -18.593 -12.902 -6.385 721 HG22 THR 8 1HG2 THR 8 -17.826 -12.766 -4.803 722 HG23 THR 8 2HG2 THR 8 -19.179 -13.873 -5.036 723 H PHE 9 H PHE 9 -15.626 -11.495 -6.385 724 HA PHE 9 HA PHE 9 -13.912 -11.769 -4.022 725 HB2 PHE 9 2HB PHE 9 -13.046 -9.491 -4.662 726 HB3 PHE 9 3HB PHE 9 -12.671 -10.765 -5.811 727 HD1 PHE 9 HD2 PHE 9 -13.948 -10.895 -7.949 728 HD2 PHE 9 HD1 PHE 9 -14.299 -7.597 -5.286 729 HE1 PHE 9 HE2 PHE 9 -14.924 -9.543 -9.759 730 HE2 PHE 9 HE1 PHE 9 -15.266 -6.234 -7.093 731 HZ PHE 9 HZ PHE 9 -15.581 -7.209 -9.331 732 H GLU 10 H GLU 10 -14.742 -11.162 -2.165 733 HA GLU 10 HA GLU 10 -17.177 -9.512 -2.208 734 HB2 GLU 10 2HB GLU 10 -16.149 -11.428 -0.110 735 HB3 GLU 10 3HB GLU 10 -17.626 -10.485 0.027 736 HG2 GLU 10 2HG GLU 10 -17.147 -12.434 -2.201 737 HG3 GLU 10 3HG GLU 10 -17.875 -12.897 -0.664 738 H ILE 11 H ILE 11 -17.112 -7.518 -1.423 739 HA ILE 11 HA ILE 11 -14.711 -6.567 -0.114 740 HB ILE 11 HB ILE 11 -17.300 -5.114 -0.731 741 HG12 ILE 11 2HG1 ILE 11 -15.730 -3.869 -2.339 742 HG13 ILE 11 3HG1 ILE 11 -14.609 -5.201 -2.093 743 HG21 ILE 11 1HG2 ILE 11 -16.202 -4.145 1.222 744 HG22 ILE 11 2HG2 ILE 11 -16.101 -3.059 -0.162 745 HG23 ILE 11 3HG2 ILE 11 -14.694 -4.006 0.318 746 HD11 ILE 11 3HD1 ILE 11 -16.301 -6.756 -2.951 747 HD12 ILE 11 1HD1 ILE 11 -15.870 -5.513 -4.128 748 HD13 ILE 11 2HD1 ILE 11 -17.384 -5.394 -3.232 749 H GLU 12 H GLU 12 -14.417 -7.043 1.940 750 HA GLU 12 HA GLU 12 -16.679 -7.619 3.657 751 HB2 GLU 12 2HB GLU 12 -13.713 -7.692 4.244 752 HB3 GLU 12 3HB GLU 12 -14.984 -8.340 5.272 753 HG2 GLU 12 2HG GLU 12 -14.385 -9.290 2.482 754 HG3 GLU 12 3HG GLU 12 -13.786 -10.048 3.950 755 H GLU 13 H GLU 13 -13.971 -5.354 3.556 756 HA GLU 13 HA GLU 13 -15.519 -3.276 4.776 757 HB2 GLU 13 2HB GLU 13 -14.160 -2.956 6.761 758 HB3 GLU 13 3HB GLU 13 -14.798 -4.595 6.779 759 HG2 GLU 13 2HG GLU 13 -12.659 -5.447 5.974 760 HG3 GLU 13 3HG GLU 13 -12.019 -3.806 5.930 761 H HIS 14 H HIS 14 -14.478 -1.228 4.526 762 HA HIS 14 HA HIS 14 -11.926 -1.382 3.071 763 HB2 HIS 14 2HB HIS 14 -12.394 1.021 2.402 764 HB3 HIS 14 3HB HIS 14 -13.407 -0.206 1.666 765 HD1 HIS 14 HD1 HIS 14 -13.588 2.368 4.486 766 HD2 HIS 14 HD2 HIS 14 -16.051 0.286 1.852 767 HE1 HIS 14 HE1 HIS 14 -15.877 3.370 4.750 768 HE2 HIS 14 HE2 HIS 14 -17.302 2.210 3.033 769 H LEU 15 H LEU 15 -10.144 -0.529 3.894 770 HA LEU 15 HA LEU 15 -9.987 -0.024 6.658 771 HB2 LEU 15 2HB LEU 15 -8.031 0.647 4.453 772 HB3 LEU 15 3HB LEU 15 -7.672 0.783 6.158 773 HG LEU 15 HG LEU 15 -6.643 -1.198 5.421 774 HD11 LEU 15 1HD1 LEU 15 -7.824 -3.008 6.576 775 HD12 LEU 15 2HD1 LEU 15 -9.219 -1.940 6.763 776 HD13 LEU 15 3HD1 LEU 15 -7.683 -1.533 7.536 777 HD21 LEU 15 3HD2 LEU 15 -7.731 -2.977 4.217 778 HD22 LEU 15 1HD2 LEU 15 -7.813 -1.465 3.313 779 HD23 LEU 15 2HD2 LEU 15 -9.232 -2.054 4.178 780 H LEU 16 H LEU 16 -9.308 2.190 3.963 781 HA LEU 16 HA LEU 16 -11.085 4.179 4.793 782 HB2 LEU 16 2HB LEU 16 -9.697 5.886 5.680 783 HB3 LEU 16 3HB LEU 16 -9.431 4.448 6.626 784 HG LEU 16 HG LEU 16 -7.330 5.341 6.491 785 HD11 LEU 16 1HD1 LEU 16 -5.944 4.066 4.963 786 HD12 LEU 16 2HD1 LEU 16 -7.389 3.531 4.102 787 HD13 LEU 16 3HD1 LEU 16 -7.141 3.061 5.786 788 HD21 LEU 16 3HD2 LEU 16 -6.320 6.379 4.549 789 HD22 LEU 16 1HD2 LEU 16 -7.832 7.167 5.007 790 HD23 LEU 16 2HD2 LEU 16 -7.790 6.080 3.619 791 H THR 17 H THR 17 -11.114 5.990 3.371 792 HA THR 17 HA THR 17 -10.041 5.371 0.762 793 HB THR 17 HB THR 17 -11.664 7.763 1.665 794 HG1 THR 17 HG1 THR 17 -12.791 5.613 0.226 795 HG21 THR 17 3HG2 THR 17 -10.497 8.095 -0.476 796 HG22 THR 17 1HG2 THR 17 -12.243 7.994 -0.698 797 HG23 THR 17 2HG2 THR 17 -11.223 6.611 -1.095 798 H LEU 18 H LEU 18 -8.131 6.134 0.031 799 HA LEU 18 HA LEU 18 -6.542 7.806 1.707 800 HB2 LEU 18 2HB LEU 18 -6.077 6.763 -1.083 801 HB3 LEU 18 3HB LEU 18 -4.897 7.698 -0.185 802 HG LEU 18 HG LEU 18 -5.961 4.975 0.561 803 HD11 LEU 18 1HD1 LEU 18 -3.659 4.257 0.182 804 HD12 LEU 18 2HD1 LEU 18 -3.223 5.895 -0.307 805 HD13 LEU 18 3HD1 LEU 18 -4.356 4.957 -1.280 806 HD21 LEU 18 3HD2 LEU 18 -3.935 6.706 1.976 807 HD22 LEU 18 1HD2 LEU 18 -4.385 5.059 2.417 808 HD23 LEU 18 2HD2 LEU 18 -5.569 6.361 2.544 809 H SER 19 H SER 19 -7.342 8.294 -1.739 810 HA SER 19 HA SER 19 -8.228 10.981 -1.306 811 HB2 SER 19 2HB SER 19 -5.480 10.550 -2.508 812 HB3 SER 19 3HB SER 19 -6.385 12.056 -2.649 813 HG SER 19 HG SER 19 -6.145 11.059 -0.078 814 H GLU 20 H GLU 20 -8.751 12.078 -3.334 815 HA GLU 20 HA GLU 20 -9.374 10.160 -5.471 816 HB2 GLU 20 2HB GLU 20 -11.323 11.284 -4.598 817 HB3 GLU 20 3HB GLU 20 -10.554 12.853 -4.779 818 HG2 GLU 20 2HG GLU 20 -10.484 12.372 -7.268 819 HG3 GLU 20 3HG GLU 20 -11.573 11.026 -6.929 820 H ASN 21 H ASN 21 -8.228 10.243 -7.281 821 HA ASN 21 HA ASN 21 -6.553 12.585 -7.814 822 HB2 ASN 21 2HB ASN 21 -5.587 10.249 -7.867 823 HB3 ASN 21 3HB ASN 21 -6.593 9.931 -9.273 824 HD21 ASN 21 1HD2 ASN 21 -4.988 12.987 -8.603 825 HD22 ASN 21 2HD2 ASN 21 -3.888 12.907 -9.932 826 H GLU 22 H GLU 22 -6.571 13.580 -9.897 827 HA GLU 22 HA GLU 22 -9.066 14.286 -10.828 828 HB2 GLU 22 2HB GLU 22 -6.426 14.397 -12.288 829 HB3 GLU 22 3HB GLU 22 -7.887 15.220 -12.810 830 HG2 GLU 22 2HG GLU 22 -6.823 16.910 -11.720 831 HG3 GLU 22 3HG GLU 22 -7.797 16.252 -10.408 832 H LYS 23 H LYS 23 -10.044 13.994 -12.908 833 HA LYS 23 HA LYS 23 -11.003 12.743 -14.534 834 HB2 LYS 23 2HB LYS 23 -8.690 10.842 -14.113 835 HB3 LYS 23 3HB LYS 23 -9.945 10.615 -15.323 836 HG2 LYS 23 2HG LYS 23 -9.294 12.705 -16.400 837 HG3 LYS 23 3HG LYS 23 -8.040 12.946 -15.179 838 HD2 LYS 23 2HD LYS 23 -6.938 10.890 -15.892 839 HD3 LYS 23 3HD LYS 23 -8.207 10.610 -17.085 840 HE2 LYS 23 2HE LYS 23 -6.303 12.949 -17.033 841 HE3 LYS 23 3HE LYS 23 -6.202 11.560 -18.114 842 HZ1 LYS 23 3HZ LYS 23 -7.223 13.323 -19.298 843 HZ2 LYS 23 1HZ LYS 23 -8.326 13.633 -18.044 844 HZ3 LYS 23 2HZ LYS 23 -8.444 12.199 -18.948 845 H GLY 24 H GLY 24 -10.867 12.177 -11.407 846 HA2 GLY 24 2HA GLY 24 -12.617 11.322 -10.135 847 HA3 GLY 24 3HA GLY 24 -13.211 10.488 -11.558 848 H TRP 25 H TRP 25 -9.892 9.996 -10.950 849 HA TRP 25 HA TRP 25 -10.454 7.211 -10.425 850 HB2 TRP 25 2HB TRP 25 -7.945 8.763 -10.992 851 HB3 TRP 25 3HB TRP 25 -7.865 7.102 -10.407 852 HD1 TRP 25 HD1 TRP 25 -9.454 9.073 -13.345 853 HE1 TRP 25 HE1 TRP 25 -9.545 7.514 -15.390 854 HE3 TRP 25 HE3 TRP 25 -7.648 4.807 -11.185 855 HZ2 TRP 25 HZ2 TRP 25 -8.916 4.828 -16.006 856 HZ3 TRP 25 HZ3 TRP 25 -7.424 2.787 -12.571 857 HH2 TRP 25 HH2 TRP 25 -8.046 2.798 -14.929 858 H THR 26 H THR 26 -11.057 6.725 -8.452 859 HA THR 26 HA THR 26 -10.048 8.253 -6.194 860 HB THR 26 HB THR 26 -12.032 5.980 -6.104 861 HG1 THR 26 HG1 THR 26 -12.346 8.105 -7.543 862 HG21 THR 26 3HG2 THR 26 -12.869 7.159 -4.133 863 HG22 THR 26 1HG2 THR 26 -11.669 8.427 -4.365 864 HG23 THR 26 2HG2 THR 26 -11.153 6.792 -3.950 865 H LYS 27 H LYS 27 -8.722 7.456 -4.633 866 HA LYS 27 HA LYS 27 -7.669 4.741 -5.070 867 HB2 LYS 27 2HB LYS 27 -6.083 6.637 -5.467 868 HB3 LYS 27 3HB LYS 27 -6.279 7.093 -3.780 869 HG2 LYS 27 2HG LYS 27 -5.364 4.929 -3.095 870 HG3 LYS 27 3HG LYS 27 -5.157 4.488 -4.791 871 HD2 LYS 27 2HD LYS 27 -3.834 6.805 -3.385 872 HD3 LYS 27 3HD LYS 27 -3.060 5.282 -3.823 873 HE2 LYS 27 2HE LYS 27 -3.454 5.753 -6.187 874 HE3 LYS 27 3HE LYS 27 -4.261 7.261 -5.759 875 HZ1 LYS 27 3HZ LYS 27 -2.055 7.792 -6.370 876 HZ2 LYS 27 1HZ LYS 27 -1.393 6.586 -5.383 877 HZ3 LYS 27 2HZ LYS 27 -2.127 7.947 -4.686 878 H GLU 28 H GLU 28 -8.255 3.342 -3.574 879 HA GLU 28 HA GLU 28 -8.714 4.283 -0.827 880 HB2 GLU 28 2HB GLU 28 -10.492 2.360 -2.330 881 HB3 GLU 28 3HB GLU 28 -10.674 2.825 -0.647 882 HG2 GLU 28 2HG GLU 28 -11.020 5.174 -1.427 883 HG3 GLU 28 3HG GLU 28 -11.051 4.548 -3.077 884 H ILE 29 H ILE 29 -8.880 2.421 0.705 885 HA ILE 29 HA ILE 29 -7.357 0.070 -0.190 886 HB ILE 29 HB ILE 29 -7.060 1.409 2.507 887 HG12 ILE 29 2HG1 ILE 29 -5.199 1.390 0.126 888 HG13 ILE 29 3HG1 ILE 29 -6.071 2.788 0.735 889 HG21 ILE 29 1HG2 ILE 29 -5.596 -0.893 1.228 890 HG22 ILE 29 2HG2 ILE 29 -6.729 -0.988 2.574 891 HG23 ILE 29 3HG2 ILE 29 -5.188 -0.162 2.777 892 HD11 ILE 29 3HD1 ILE 29 -4.797 2.658 2.820 893 HD12 ILE 29 1HD1 ILE 29 -3.759 2.870 1.409 894 HD13 ILE 29 2HD1 ILE 29 -3.898 1.286 2.170 895 H ASN 30 H ASN 30 -8.348 -1.832 0.322 896 HA ASN 30 HA ASN 30 -10.220 -1.913 2.539 897 HB2 ASN 30 2HB ASN 30 -12.032 -2.901 1.075 898 HB3 ASN 30 3HB ASN 30 -11.763 -1.173 0.916 899 HD21 ASN 30 1HD2 ASN 30 -9.728 -3.674 -0.535 900 HD22 ASN 30 2HD2 ASN 30 -10.137 -3.289 -2.165 901 H ARG 31 H ARG 31 -11.226 -4.122 2.756 902 HA ARG 31 HA ARG 31 -9.188 -6.156 2.152 903 HB2 ARG 31 2HB ARG 31 -11.225 -6.034 4.381 904 HB3 ARG 31 3HB ARG 31 -10.189 -7.417 4.068 905 HG2 ARG 31 2HG ARG 31 -8.218 -5.987 4.460 906 HG3 ARG 31 3HG ARG 31 -9.301 -4.654 4.864 907 HD2 ARG 31 2HD ARG 31 -8.511 -5.747 6.885 908 HD3 ARG 31 3HD ARG 31 -10.247 -5.983 6.693 909 HE ARG 31 HE ARG 31 -8.678 -8.133 5.608 910 HH11 ARG 31 1HH1 ARG 31 -10.215 -6.875 8.494 911 HH12 ARG 31 2HH1 ARG 31 -10.265 -8.422 9.293 912 HH21 ARG 31 1HH2 ARG 31 -8.774 -10.167 6.642 913 HH22 ARG 31 2HH2 ARG 31 -9.462 -10.289 8.231 914 H VAL 32 H VAL 32 -9.712 -7.658 0.732 915 HA VAL 32 HA VAL 32 -12.571 -8.143 0.179 916 HB VAL 32 HB VAL 32 -10.321 -8.230 -1.840 917 HG11 VAL 32 1HG1 VAL 32 -12.158 -9.725 -2.381 918 HG12 VAL 32 2HG1 VAL 32 -12.122 -8.357 -3.495 919 HG13 VAL 32 3HG1 VAL 32 -13.311 -8.402 -2.192 920 HG21 VAL 32 3HG2 VAL 32 -11.311 -6.175 -2.771 921 HG22 VAL 32 1HG2 VAL 32 -10.678 -5.939 -1.144 922 HG23 VAL 32 2HG2 VAL 32 -12.416 -6.105 -1.399 923 H SER 33 H SER 33 -13.217 -10.233 0.186 924 HA SER 33 HA SER 33 -11.195 -12.301 0.586 925 HB2 SER 33 2HB SER 33 -13.304 -13.737 0.960 926 HB3 SER 33 3HB SER 33 -12.941 -12.498 2.163 927 HG SER 33 HG SER 33 -14.928 -11.907 1.772 928 H PHE 34 H PHE 34 -10.779 -13.892 -0.899 929 HA PHE 34 HA PHE 34 -12.088 -13.543 -3.513 930 HB2 PHE 34 2HB PHE 34 -9.300 -14.544 -2.898 931 HB3 PHE 34 3HB PHE 34 -10.006 -14.424 -4.507 932 HD1 PHE 34 HD2 PHE 34 -10.612 -12.157 -5.399 933 HD2 PHE 34 HD1 PHE 34 -8.290 -12.695 -1.874 934 HE1 PHE 34 HE2 PHE 34 -9.817 -9.836 -5.575 935 HE2 PHE 34 HE1 PHE 34 -7.489 -10.375 -2.043 936 HZ PHE 34 HZ PHE 34 -8.252 -8.943 -3.894 937 H ASN 35 H ASN 35 -13.633 -15.016 -3.607 938 HA ASN 35 HA ASN 35 -14.782 -16.960 -3.326 939 HB2 ASN 35 2HB ASN 35 -13.744 -18.904 -4.552 940 HB3 ASN 35 3HB ASN 35 -13.871 -17.414 -5.473 941 HD21 ASN 35 1HD2 ASN 35 -12.009 -16.338 -6.080 942 HD22 ASN 35 2HD2 ASN 35 -10.446 -17.067 -5.998 943 H GLY 36 H GLY 36 -13.996 -16.416 -0.952 944 HA2 GLY 36 2HA GLY 36 -14.066 -17.841 0.999 945 HA3 GLY 36 3HA GLY 36 -13.003 -18.961 0.152 946 H ALA 37 H ALA 37 -11.788 -18.775 2.201 947 HA ALA 37 HA ALA 37 -9.897 -18.166 3.299 948 HB1 ALA 37 3HB ALA 37 -8.222 -16.833 2.151 949 HB2 ALA 37 1HB ALA 37 -9.414 -16.334 0.950 950 HB3 ALA 37 2HB ALA 37 -8.915 -18.022 1.050 951 HA PRO 38 HA PRO 38 -10.736 -14.447 5.636 952 HB2 PRO 38 2HB PRO 38 -8.212 -13.492 6.144 953 HB3 PRO 38 3HB PRO 38 -8.961 -14.820 7.038 954 HG2 PRO 38 2HG PRO 38 -7.009 -14.927 4.773 955 HG3 PRO 38 3HG PRO 38 -7.050 -15.890 6.262 956 HD2 PRO 38 2HD PRO 38 -7.927 -16.878 3.928 957 HD3 PRO 38 3HD PRO 38 -8.726 -17.281 5.460 958 H ALA 39 H ALA 39 -10.675 -12.133 5.497 959 HA ALA 39 HA ALA 39 -10.646 -11.190 2.819 960 HB1 ALA 39 3HB ALA 39 -11.320 -9.081 3.716 961 HB2 ALA 39 1HB ALA 39 -10.761 -9.530 5.328 962 HB3 ALA 39 2HB ALA 39 -12.149 -10.350 4.619 963 H LYS 40 H LYS 40 -8.834 -10.850 1.720 964 HA LYS 40 HA LYS 40 -6.382 -10.142 3.063 965 HB2 LYS 40 2HB LYS 40 -7.034 -10.553 0.139 966 HB3 LYS 40 3HB LYS 40 -5.427 -10.160 0.739 967 HG2 LYS 40 2HG LYS 40 -5.512 -12.223 2.131 968 HG3 LYS 40 3HG LYS 40 -7.034 -12.632 1.339 969 HD2 LYS 40 2HD LYS 40 -5.930 -12.718 -0.814 970 HD3 LYS 40 3HD LYS 40 -4.409 -12.195 -0.086 971 HE2 LYS 40 2HE LYS 40 -4.405 -14.227 1.303 972 HE3 LYS 40 3HE LYS 40 -5.884 -14.758 0.507 973 HZ1 LYS 40 3HZ LYS 40 -3.290 -14.267 -0.860 974 HZ2 LYS 40 1HZ LYS 40 -4.710 -14.847 -1.590 975 HZ3 LYS 40 2HZ LYS 40 -3.901 -15.790 -0.442 976 H PHE 41 H PHE 41 -5.131 -8.287 2.531 977 HA PHE 41 HA PHE 41 -6.855 -5.934 2.322 978 HB2 PHE 41 2HB PHE 41 -5.670 -5.503 4.196 979 HB3 PHE 41 3HB PHE 41 -4.430 -6.681 3.792 980 HD1 PHE 41 HD2 PHE 41 -5.522 -3.199 3.310 981 HD2 PHE 41 HD1 PHE 41 -2.382 -6.028 2.852 982 HE1 PHE 41 HE2 PHE 41 -3.959 -1.379 2.759 983 HE2 PHE 41 HE1 PHE 41 -0.815 -4.212 2.307 984 HZ PHE 41 HZ PHE 41 -1.607 -1.884 2.260 985 H ASP 42 H ASP 42 -6.790 -4.635 0.542 986 HA ASP 42 HA ASP 42 -4.374 -4.733 -1.120 987 HB2 ASP 42 2HB ASP 42 -5.573 -4.869 -3.170 988 HB3 ASP 42 3HB ASP 42 -6.186 -6.153 -2.141 989 H ILE 43 H ILE 43 -3.869 -2.898 -2.256 990 HA ILE 43 HA ILE 43 -5.267 -0.439 -1.405 991 HB ILE 43 HB ILE 43 -2.429 -0.624 -2.450 992 HG12 ILE 43 2HG1 ILE 43 -3.357 -0.605 0.429 993 HG13 ILE 43 3HG1 ILE 43 -2.625 -1.970 -0.403 994 HG21 ILE 43 1HG2 ILE 43 -2.150 1.567 -1.581 995 HG22 ILE 43 2HG2 ILE 43 -3.686 1.495 -0.728 996 HG23 ILE 43 3HG2 ILE 43 -3.663 1.576 -2.490 997 HD11 ILE 43 3HD1 ILE 43 -1.049 -0.814 1.062 998 HD12 ILE 43 1HD1 ILE 43 -1.274 0.664 0.128 999 HD13 ILE 43 2HD1 ILE 43 -0.549 -0.754 -0.630 1000 H ARG 44 H ARG 44 -6.517 0.372 -3.035 1001 HA ARG 44 HA ARG 44 -5.775 -0.414 -5.780 1002 HB2 ARG 44 2HB ARG 44 -8.101 -0.894 -6.248 1003 HB3 ARG 44 3HB ARG 44 -7.558 -1.841 -4.868 1004 HG2 ARG 44 2HG ARG 44 -8.563 0.108 -3.471 1005 HG3 ARG 44 3HG ARG 44 -9.450 0.470 -4.954 1006 HD2 ARG 44 2HD ARG 44 -9.443 -2.168 -3.494 1007 HD3 ARG 44 3HD ARG 44 -10.734 -0.973 -3.437 1008 HE ARG 44 HE ARG 44 -11.218 -1.470 -5.735 1009 HH11 ARG 44 1HH1 ARG 44 -8.880 -3.610 -4.223 1010 HH12 ARG 44 2HH1 ARG 44 -9.237 -4.941 -5.289 1011 HH21 ARG 44 1HH2 ARG 44 -11.668 -3.232 -7.139 1012 HH22 ARG 44 2HH2 ARG 44 -10.789 -4.726 -6.949 1013 H ALA 45 H ALA 45 -6.765 0.811 -7.491 1014 HA ALA 45 HA ALA 45 -7.761 3.476 -6.759 1015 HB1 ALA 45 3HB ALA 45 -5.354 3.677 -7.291 1016 HB2 ALA 45 1HB ALA 45 -6.373 4.520 -8.462 1017 HB3 ALA 45 2HB ALA 45 -5.667 2.957 -8.873 1018 H TRP 46 H TRP 46 -9.793 3.432 -7.567 1019 HA TRP 46 HA TRP 46 -10.188 1.952 -10.071 1020 HB2 TRP 46 2HB TRP 46 -12.600 1.785 -9.337 1021 HB3 TRP 46 3HB TRP 46 -11.439 0.870 -8.390 1022 HD1 TRP 46 HD1 TRP 46 -11.044 1.629 -5.857 1023 HE1 TRP 46 HE1 TRP 46 -12.456 3.074 -4.252 1024 HE3 TRP 46 HE3 TRP 46 -14.148 3.853 -9.269 1025 HZ2 TRP 46 HZ2 TRP 46 -14.580 4.909 -4.420 1026 HZ3 TRP 46 HZ3 TRP 46 -15.843 5.442 -8.455 1027 HH2 TRP 46 HH2 TRP 46 -16.054 5.957 -6.081 1028 H SER 47 H SER 47 -11.343 2.773 -11.728 1029 HA SER 47 HA SER 47 -11.420 5.613 -11.985 1030 HB2 SER 47 2HB SER 47 -12.537 4.963 -14.215 1031 HB3 SER 47 3HB SER 47 -10.883 4.410 -13.951 1032 HG SER 47 HG SER 47 -13.294 2.939 -13.844 1033 HA PRO 48 HA PRO 48 -15.438 6.749 -10.651 1034 HB2 PRO 48 2HB PRO 48 -16.483 7.918 -12.972 1035 HB3 PRO 48 3HB PRO 48 -15.538 8.742 -11.732 1036 HG2 PRO 48 2HG PRO 48 -14.672 7.639 -14.359 1037 HG3 PRO 48 3HG PRO 48 -14.114 9.092 -13.508 1038 HD2 PRO 48 2HD PRO 48 -12.633 6.861 -13.570 1039 HD3 PRO 48 3HD PRO 48 -12.691 7.888 -12.121 1040 H ASP 49 H ASP 49 -15.465 5.476 -13.960 1041 HA ASP 49 HA ASP 49 -17.840 3.883 -13.269 1042 HB2 ASP 49 2HB ASP 49 -17.876 5.404 -15.330 1043 HB3 ASP 49 3HB ASP 49 -16.696 4.307 -16.038 1044 H HIS 50 H HIS 50 -17.759 1.633 -13.527 1045 HA HIS 50 HA HIS 50 -15.093 0.566 -13.152 1046 HB2 HIS 50 2HB HIS 50 -17.834 -0.695 -12.998 1047 HB3 HIS 50 3HB HIS 50 -16.343 -1.592 -12.740 1048 HD1 HIS 50 HD1 HIS 50 -17.165 -2.085 -10.287 1049 HD2 HIS 50 HD2 HIS 50 -16.489 1.938 -11.131 1050 HE1 HIS 50 HE1 HIS 50 -17.103 -0.920 -8.060 1051 HE2 HIS 50 HE2 HIS 50 -16.808 1.519 -8.590 1052 H THR 51 H THR 51 -16.319 1.454 -15.850 1053 HA THR 51 HA THR 51 -16.243 -0.856 -17.509 1054 HB THR 51 HB THR 51 -15.877 2.061 -18.226 1055 HG1 THR 51 HG1 THR 51 -17.928 1.473 -17.247 1056 HG21 THR 51 3HG2 THR 51 -15.014 0.597 -19.983 1057 HG22 THR 51 1HG2 THR 51 -16.505 1.385 -20.497 1058 HG23 THR 51 2HG2 THR 51 -16.532 -0.303 -19.989 1059 H LYS 52 H LYS 52 -13.811 1.361 -16.306 1060 HA LYS 52 HA LYS 52 -11.857 0.349 -18.221 1061 HB2 LYS 52 2HB LYS 52 -11.756 2.626 -16.255 1062 HB3 LYS 52 3HB LYS 52 -10.346 2.082 -17.155 1063 HG2 LYS 52 2HG LYS 52 -11.842 2.419 -19.237 1064 HG3 LYS 52 3HG LYS 52 -12.829 3.406 -18.156 1065 HD2 LYS 52 2HD LYS 52 -11.168 4.732 -19.419 1066 HD3 LYS 52 3HD LYS 52 -10.934 4.832 -17.671 1067 HE2 LYS 52 2HE LYS 52 -9.121 3.272 -17.762 1068 HE3 LYS 52 3HE LYS 52 -9.422 2.937 -19.465 1069 HZ1 LYS 52 3HZ LYS 52 -8.672 5.065 -20.068 1070 HZ2 LYS 52 1HZ LYS 52 -7.529 4.477 -18.959 1071 HZ3 LYS 52 2HZ LYS 52 -8.678 5.626 -18.466 1072 H MET 53 H MET 53 -9.652 -0.069 -17.405 1073 HA MET 53 HA MET 53 -9.755 -2.155 -15.447 1074 HB2 MET 53 2HB MET 53 -7.391 -0.916 -16.868 1075 HB3 MET 53 3HB MET 53 -7.341 -2.387 -15.906 1076 HG2 MET 53 2HG MET 53 -8.800 -3.503 -17.470 1077 HG3 MET 53 3HG MET 53 -8.968 -2.020 -18.408 1078 HE1 MET 53 3HE MET 53 -6.531 -4.863 -17.244 1079 HE2 MET 53 1HE MET 53 -5.688 -3.415 -16.693 1080 HE3 MET 53 2HE MET 53 -5.014 -4.379 -18.007 1081 H GLY 54 H GLY 54 -9.955 -1.593 -13.365 1082 HA2 GLY 54 2HA GLY 54 -8.788 0.747 -12.215 1083 HA3 GLY 54 3HA GLY 54 -9.514 -0.592 -11.335 1084 H LYS 55 H LYS 55 -7.066 0.939 -10.826 1085 HA LYS 55 HA LYS 55 -4.958 -1.050 -11.237 1086 HB2 LYS 55 2HB LYS 55 -4.764 1.701 -9.990 1087 HB3 LYS 55 3HB LYS 55 -3.427 0.681 -10.495 1088 HG2 LYS 55 2HG LYS 55 -5.474 1.888 -12.345 1089 HG3 LYS 55 3HG LYS 55 -3.862 2.535 -12.048 1090 HD2 LYS 55 2HD LYS 55 -2.889 0.440 -12.903 1091 HD3 LYS 55 3HD LYS 55 -4.513 -0.160 -13.236 1092 HE2 LYS 55 2HE LYS 55 -3.453 0.739 -15.255 1093 HE3 LYS 55 3HE LYS 55 -4.892 1.656 -14.807 1094 HZ1 LYS 55 3HZ LYS 55 -3.014 3.081 -15.462 1095 HZ2 LYS 55 1HZ LYS 55 -2.096 2.469 -14.173 1096 HZ3 LYS 55 2HZ LYS 55 -3.503 3.367 -13.867 1097 H GLY 56 H GLY 56 -3.528 -1.478 -9.278 1098 HA2 GLY 56 2HA GLY 56 -3.958 -0.917 -6.697 1099 HA3 GLY 56 3HA GLY 56 -5.231 -2.085 -7.011 1100 H ILE 57 H ILE 57 -3.294 -2.508 -5.118 1101 HA ILE 57 HA ILE 57 -1.926 -4.849 -6.250 1102 HB ILE 57 HB ILE 57 -0.211 -3.162 -5.968 1103 HG12 ILE 57 2HG1 ILE 57 -0.087 -5.193 -3.731 1104 HG13 ILE 57 3HG1 ILE 57 0.372 -5.483 -5.406 1105 HG21 ILE 57 1HG2 ILE 57 -1.337 -1.728 -4.362 1106 HG22 ILE 57 2HG2 ILE 57 0.285 -2.145 -3.805 1107 HG23 ILE 57 3HG2 ILE 57 -1.121 -2.947 -3.105 1108 HD11 ILE 57 3HD1 ILE 57 2.318 -5.128 -4.016 1109 HD12 ILE 57 1HD1 ILE 57 1.701 -3.555 -3.517 1110 HD13 ILE 57 2HD1 ILE 57 2.155 -3.831 -5.198 1111 H THR 58 H THR 58 -2.167 -6.674 -5.066 1112 HA THR 58 HA THR 58 -3.758 -6.469 -2.617 1113 HB THR 58 HB THR 58 -3.199 -8.954 -4.246 1114 HG1 THR 58 HG1 THR 58 -5.291 -7.028 -4.436 1115 HG21 THR 58 3HG2 THR 58 -5.228 -9.791 -3.127 1116 HG22 THR 58 1HG2 THR 58 -5.333 -8.289 -2.211 1117 HG23 THR 58 2HG2 THR 58 -3.966 -9.376 -1.966 1118 H LEU 59 H LEU 59 -2.988 -7.088 -0.684 1119 HA LEU 59 HA LEU 59 -0.359 -8.407 -0.619 1120 HB2 LEU 59 2HB LEU 59 -1.268 -6.183 1.217 1121 HB3 LEU 59 3HB LEU 59 0.264 -7.032 1.306 1122 HG LEU 59 HG LEU 59 0.596 -6.118 -1.128 1123 HD11 LEU 59 1HD1 LEU 59 -1.640 -5.213 -1.405 1124 HD12 LEU 59 2HD1 LEU 59 -0.433 -3.927 -1.469 1125 HD13 LEU 59 3HD1 LEU 59 -1.400 -4.159 -0.014 1126 HD21 LEU 59 3HD2 LEU 59 2.017 -5.537 0.726 1127 HD22 LEU 59 1HD2 LEU 59 0.810 -4.404 1.337 1128 HD23 LEU 59 2HD2 LEU 59 1.624 -4.085 -0.194 1129 H SER 60 H SER 60 0.067 -9.332 1.662 1130 HA SER 60 HA SER 60 -2.360 -10.782 2.396 1131 HB2 SER 60 2HB SER 60 -0.137 -11.931 1.817 1132 HB3 SER 60 3HB SER 60 0.418 -11.383 3.397 1133 HG SER 60 HG SER 60 -0.696 -12.923 4.302 1134 H ASN 61 H ASN 61 -2.327 -11.442 4.861 1135 HA ASN 61 HA ASN 61 -2.921 -8.966 6.164 1136 HB2 ASN 61 2HB ASN 61 -3.068 -11.822 7.129 1137 HB3 ASN 61 3HB ASN 61 -3.605 -10.442 8.077 1138 HD21 ASN 61 1HD2 ASN 61 -4.627 -9.025 5.714 1139 HD22 ASN 61 2HD2 ASN 61 -6.093 -9.831 5.281 1140 H GLU 62 H GLU 62 -0.337 -11.336 6.427 1141 HA GLU 62 HA GLU 62 0.696 -10.482 8.907 1142 HB2 GLU 62 2HB GLU 62 2.334 -11.611 6.638 1143 HB3 GLU 62 3HB GLU 62 2.692 -11.687 8.355 1144 HG2 GLU 62 2HG GLU 62 1.891 -13.775 8.109 1145 HG3 GLU 62 3HG GLU 62 0.349 -12.959 8.365 1146 H GLU 63 H GLU 63 1.859 -9.755 5.620 1147 HA GLU 63 HA GLU 63 3.765 -7.849 6.379 1148 HB2 GLU 63 2HB GLU 63 3.765 -7.179 4.030 1149 HB3 GLU 63 3HB GLU 63 3.765 -8.930 4.196 1150 HG2 GLU 63 2HG GLU 63 1.292 -8.869 3.845 1151 HG3 GLU 63 3HG GLU 63 1.460 -7.157 3.458 1152 H PHE 64 H PHE 64 0.321 -7.535 5.739 1153 HA PHE 64 HA PHE 64 0.115 -4.763 5.589 1154 HB2 PHE 64 2HB PHE 64 -1.756 -6.449 5.298 1155 HB3 PHE 64 3HB PHE 64 -1.830 -6.559 7.052 1156 HD1 PHE 64 HD1 PHE 64 -1.051 -3.330 5.625 1157 HD2 PHE 64 HD2 PHE 64 -4.212 -5.883 6.886 1158 HE1 PHE 64 HE1 PHE 64 -2.585 -1.409 5.630 1159 HE2 PHE 64 HE2 PHE 64 -5.752 -3.960 6.914 1160 HZ PHE 64 HZ PHE 64 -4.937 -1.722 6.285 1161 H GLN 65 H GLN 65 -0.019 -6.857 8.468 1162 HA GLN 65 HA GLN 65 -0.044 -4.735 10.323 1163 HB2 GLN 65 2HB GLN 65 -0.811 -6.859 11.058 1164 HB3 GLN 65 3HB GLN 65 0.663 -7.655 10.538 1165 HG2 GLN 65 2HG GLN 65 0.824 -7.623 12.849 1166 HG3 GLN 65 3HG GLN 65 1.835 -6.278 12.339 1167 HE21 GLN 65 1HE2 GLN 65 -0.320 -4.425 11.869 1168 HE22 GLN 65 2HE2 GLN 65 -0.965 -3.998 13.403 1169 H THR 66 H THR 66 2.515 -6.607 8.841 1170 HA THR 66 HA THR 66 4.735 -5.774 10.246 1171 HB THR 66 HB THR 66 4.438 -6.311 7.285 1172 HG1 THR 66 HG1 THR 66 5.548 -8.342 8.183 1173 HG21 THR 66 3HG2 THR 66 6.955 -6.188 8.953 1174 HG22 THR 66 1HG2 THR 66 6.489 -5.058 7.681 1175 HG23 THR 66 2HG2 THR 66 6.858 -6.733 7.276 1176 H MET 67 H MET 67 3.211 -4.157 7.440 1177 HA MET 67 HA MET 67 5.128 -2.034 7.501 1178 HB2 MET 67 2HB MET 67 4.018 -1.097 5.657 1179 HB3 MET 67 3HB MET 67 3.867 -2.832 5.441 1180 HG2 MET 67 2HG MET 67 1.596 -2.803 6.109 1181 HG3 MET 67 3HG MET 67 1.715 -1.133 6.662 1182 HE1 MET 67 3HE MET 67 -0.687 -1.708 4.955 1183 HE2 MET 67 1HE MET 67 -0.605 -0.451 3.720 1184 HE3 MET 67 2HE MET 67 -0.187 -0.076 5.395 1185 H VAL 68 H VAL 68 1.811 -2.418 8.703 1186 HA VAL 68 HA VAL 68 1.243 0.223 9.362 1187 HB VAL 68 HB VAL 68 0.455 -2.275 10.873 1188 HG11 VAL 68 1HG1 VAL 68 0.244 -0.304 12.313 1189 HG12 VAL 68 2HG1 VAL 68 -1.337 -0.938 11.854 1190 HG13 VAL 68 3HG1 VAL 68 -0.704 0.510 11.066 1191 HG21 VAL 68 3HG2 VAL 68 -1.674 -1.990 9.688 1192 HG22 VAL 68 1HG2 VAL 68 -0.328 -2.244 8.578 1193 HG23 VAL 68 2HG2 VAL 68 -0.992 -0.625 8.806 1194 H ASP 69 H ASP 69 2.919 -2.234 11.320 1195 HA ASP 69 HA ASP 69 3.413 -0.567 13.544 1196 HB2 ASP 69 2HB ASP 69 3.534 -3.028 13.643 1197 HB3 ASP 69 3HB ASP 69 4.962 -2.993 12.615 1198 H ALA 70 H ALA 70 5.386 -1.363 10.700 1199 HA ALA 70 HA ALA 70 7.701 0.036 11.451 1200 HB1 ALA 70 3HB ALA 70 8.290 -0.002 9.085 1201 HB2 ALA 70 1HB ALA 70 6.635 -0.448 8.669 1202 HB3 ALA 70 2HB ALA 70 7.642 -1.561 9.594 1203 H PHE 71 H PHE 71 4.704 1.088 9.963 1204 HA PHE 71 HA PHE 71 5.719 3.787 9.625 1205 HB2 PHE 71 2HB PHE 71 2.998 2.614 9.006 1206 HB3 PHE 71 3HB PHE 71 3.491 4.267 8.644 1207 HD1 PHE 71 HD1 PHE 71 6.221 3.892 7.683 1208 HD2 PHE 71 HD2 PHE 71 2.717 1.596 6.945 1209 HE1 PHE 71 HE1 PHE 71 7.177 3.126 5.554 1210 HE2 PHE 71 HE2 PHE 71 3.672 0.824 4.812 1211 HZ PHE 71 HZ PHE 71 5.901 1.589 4.115 1212 H LYS 72 H LYS 72 4.418 2.036 12.174 1213 HA LYS 72 HA LYS 72 3.239 4.286 13.529 1214 HB2 LYS 72 2HB LYS 72 4.516 1.801 14.702 1215 HB3 LYS 72 3HB LYS 72 3.536 2.959 15.585 1216 HG2 LYS 72 2HG LYS 72 2.558 1.263 13.304 1217 HG3 LYS 72 3HG LYS 72 2.341 0.886 15.010 1218 HD2 LYS 72 2HD LYS 72 0.395 1.969 14.812 1219 HD3 LYS 72 3HD LYS 72 1.367 3.438 14.849 1220 HE2 LYS 72 2HE LYS 72 0.933 2.060 12.245 1221 HE3 LYS 72 3HE LYS 72 -0.386 3.002 12.931 1222 HZ1 LYS 72 3HZ LYS 72 1.211 4.899 13.072 1223 HZ2 LYS 72 1HZ LYS 72 0.840 4.405 11.493 1224 HZ3 LYS 72 2HZ LYS 72 2.317 3.970 12.186 1225 H GLY 73 H GLY 73 6.351 2.936 12.967 1226 HA2 GLY 73 2HA GLY 73 7.727 4.742 14.784 1227 HA3 GLY 73 3HA GLY 73 8.475 3.570 13.708 1228 H ASN 74 H ASN 74 7.629 4.268 11.244 1229 HA ASN 74 HA ASN 74 8.874 6.903 10.918 1230 HB2 ASN 74 2HB ASN 74 9.786 4.906 9.683 1231 HB3 ASN 74 3HB ASN 74 8.276 4.849 8.781 1232 HD21 ASN 74 1HD2 ASN 74 9.390 5.176 6.848 1233 HD22 ASN 74 2HD2 ASN 74 10.027 6.718 6.403 1234 H LEU 75 H LEU 75 7.920 8.534 9.691 1235 HA LEU 75 HA LEU 75 6.236 9.906 9.061 1236 HB2 LEU 75 2HB LEU 75 4.936 7.286 8.376 1237 HB3 LEU 75 3HB LEU 75 4.050 8.792 8.249 1238 HG LEU 75 HG LEU 75 6.164 9.483 6.789 1239 HD11 LEU 75 1HD1 LEU 75 5.988 6.505 6.412 1240 HD12 LEU 75 2HD1 LEU 75 7.341 7.379 7.130 1241 HD13 LEU 75 3HD1 LEU 75 6.931 7.625 5.432 1242 HD21 LEU 75 3HD2 LEU 75 3.900 7.771 5.771 1243 HD22 LEU 75 1HD2 LEU 75 4.888 8.873 4.814 1244 HD23 LEU 75 2HD2 LEU 75 3.828 9.510 6.072 1245 H GLU 76 H GLU 76 3.444 9.618 9.443 1246 HA GLU 76 HA GLU 76 1.791 9.864 10.978 1247 HB2 GLU 76 2HB GLU 76 2.659 7.646 11.828 1248 HB3 GLU 76 3HB GLU 76 3.618 8.551 12.988 1249 HG2 GLU 76 2HG GLU 76 1.586 9.472 13.962 1250 HG3 GLU 76 3HG GLU 76 0.615 8.577 12.794 1251 H HIS 77 H HIS 77 4.818 10.250 12.789 1252 HA HIS 77 HA HIS 77 3.942 12.906 13.669 1253 HB2 HIS 77 2HB HIS 77 4.737 11.355 15.414 1254 HB3 HIS 77 3HB HIS 77 6.277 11.197 14.578 1255 HD1 HIS 77 HD1 HIS 77 8.037 12.947 15.024 1256 HD2 HIS 77 HD2 HIS 77 4.325 13.926 16.637 1257 HE1 HIS 77 HE1 HIS 77 8.442 14.940 16.507 1258 HE2 HIS 77 HE2 HIS 77 6.234 15.353 17.650 1259 H HIS 78 H HIS 78 4.450 14.434 12.219 1260 HA HIS 78 HA HIS 78 7.239 14.655 11.360 1261 HB2 HIS 78 2HB HIS 78 4.939 14.151 9.587 1262 HB3 HIS 78 3HB HIS 78 5.937 15.517 9.106 1263 HD1 HIS 78 HD1 HIS 78 7.260 12.287 10.599 1264 HD2 HIS 78 HD2 HIS 78 7.247 14.382 7.003 1265 HE1 HIS 78 HE1 HIS 78 8.809 11.029 9.072 1266 HE2 HIS 78 HE2 HIS 78 8.923 12.409 6.966 1267 H HIS 79 H HIS 79 7.529 16.852 10.190 1268 HA HIS 79 HA HIS 79 6.283 18.880 11.882 1269 HB2 HIS 79 2HB HIS 79 8.550 19.045 9.885 1270 HB3 HIS 79 3HB HIS 79 7.944 20.417 10.803 1271 HD1 HIS 79 HD1 HIS 79 9.125 20.860 12.936 1272 HD2 HIS 79 HD2 HIS 79 9.611 16.928 11.674 1273 HE1 HIS 79 HE1 HIS 79 10.737 19.818 14.560 1274 HE2 HIS 79 HE2 HIS 79 11.190 17.524 13.632 1275 H HIS 80 H HIS 80 4.214 19.094 11.053 1276 HA HIS 80 HA HIS 80 4.120 20.622 8.544 1277 HB2 HIS 80 2HB HIS 80 2.193 18.432 9.361 1278 HB3 HIS 80 3HB HIS 80 1.842 19.612 8.104 1279 HD1 HIS 80 HD1 HIS 80 2.536 16.303 8.177 1280 HD2 HIS 80 HD2 HIS 80 4.489 19.465 6.305 1281 HE1 HIS 80 HE1 HIS 80 3.864 15.270 6.301 1282 HE2 HIS 80 HE2 HIS 80 5.174 17.182 5.303 1283 H HIS 81 H HIS 81 1.926 19.515 11.086 1284 HA HIS 81 HA HIS 81 1.524 22.023 12.307 1285 HB2 HIS 81 2HB HIS 81 0.407 22.449 10.087 1286 HB3 HIS 81 3HB HIS 81 -0.708 21.138 10.455 1287 HD1 HIS 81 HD1 HIS 81 -2.507 21.591 12.286 1288 HD2 HIS 81 HD2 HIS 81 -0.078 24.852 11.415 1289 HE1 HIS 81 HE1 HIS 81 -3.657 23.579 13.296 1290 HE2 HIS 81 HE2 HIS 81 -2.223 25.555 12.689 1291 H HIS 82 H HIS 82 1.135 21.305 14.313 1292 HA HIS 82 HA HIS 82 0.464 18.654 14.876 1293 HB2 HIS 82 2HB HIS 82 0.210 19.323 17.218 1294 HB3 HIS 82 3HB HIS 82 1.648 20.032 16.501 1295 HD1 HIS 82 HD1 HIS 82 -1.480 20.873 18.235 1296 HD2 HIS 82 HD2 HIS 82 1.435 22.869 16.049 1297 HE1 HIS 82 HE1 HIS 82 -1.791 23.313 18.761 1298 HE2 HIS 82 HE2 HIS 82 0.144 24.458 17.622 Start of MODEL 20 1 H1 MET 1 1H MET 1 24.630 9.727 -25.901 2 H2 MET 1 2H MET 1 22.993 9.925 -25.505 3 H3 MET 1 3H MET 1 23.579 10.486 -26.991 4 HA MET 1 HA MET 1 23.994 8.281 -27.758 5 HB2 MET 1 2HB MET 1 22.989 7.477 -25.017 6 HB3 MET 1 3HB MET 1 23.247 6.358 -26.347 7 HG2 MET 1 2HG MET 1 25.629 6.918 -26.347 8 HG3 MET 1 3HG MET 1 25.363 8.032 -25.009 9 HE1 MET 1 3HE MET 1 23.264 6.484 -23.223 10 HE2 MET 1 1HE MET 1 24.691 7.268 -22.544 11 HE3 MET 1 2HE MET 1 24.313 5.598 -22.116 12 H LYS 2 H LYS 2 22.189 6.670 -28.336 13 HA LYS 2 HA LYS 2 19.616 8.074 -28.379 14 HB2 LYS 2 2HB LYS 2 20.721 5.757 -29.959 15 HB3 LYS 2 3HB LYS 2 19.003 6.129 -29.956 16 HG2 LYS 2 2HG LYS 2 19.475 8.355 -30.829 17 HG3 LYS 2 3HG LYS 2 21.204 8.000 -30.813 18 HD2 LYS 2 2HD LYS 2 19.208 6.346 -32.339 19 HD3 LYS 2 3HD LYS 2 20.024 7.746 -33.041 20 HE2 LYS 2 2HE LYS 2 21.407 5.330 -31.869 21 HE3 LYS 2 3HE LYS 2 21.128 5.602 -33.591 22 HZ1 LYS 2 3HZ LYS 2 22.783 7.290 -31.785 23 HZ2 LYS 2 1HZ LYS 2 22.448 7.648 -33.410 24 HZ3 LYS 2 2HZ LYS 2 23.350 6.267 -33.015 25 H LYS 3 H LYS 3 18.468 7.714 -26.625 26 HA LYS 3 HA LYS 3 18.874 5.244 -25.138 27 HB2 LYS 3 2HB LYS 3 17.593 6.458 -23.347 28 HB3 LYS 3 3HB LYS 3 19.111 7.205 -23.823 29 HG2 LYS 3 2HG LYS 3 17.796 8.739 -25.295 30 HG3 LYS 3 3HG LYS 3 16.330 8.066 -24.582 31 HD2 LYS 3 2HD LYS 3 16.925 8.856 -22.419 32 HD3 LYS 3 3HD LYS 3 18.545 9.299 -22.959 33 HE2 LYS 3 2HE LYS 3 17.522 10.957 -24.495 34 HE3 LYS 3 3HE LYS 3 15.946 10.565 -23.813 35 HZ1 LYS 3 3HZ LYS 3 16.668 11.342 -21.679 36 HZ2 LYS 3 1HZ LYS 3 16.963 12.556 -22.823 37 HZ3 LYS 3 2HZ LYS 3 18.244 11.606 -22.249 38 H MET 4 H MET 4 17.406 3.748 -24.749 39 HA MET 4 HA MET 4 14.871 3.868 -26.176 40 HB2 MET 4 2HB MET 4 16.215 1.822 -26.333 41 HB3 MET 4 3HB MET 4 16.181 1.645 -24.586 42 HG2 MET 4 2HG MET 4 13.759 1.333 -24.669 43 HG3 MET 4 3HG MET 4 13.803 1.499 -26.423 44 HE1 MET 4 3HE MET 4 13.077 -2.327 -25.924 45 HE2 MET 4 1HE MET 4 12.574 -0.860 -26.765 46 HE3 MET 4 2HE MET 4 12.449 -0.956 -25.009 47 H ALA 5 H ALA 5 16.183 3.757 -22.929 48 HA ALA 5 HA ALA 5 13.518 3.904 -21.746 49 HB1 ALA 5 3HB ALA 5 14.685 3.719 -19.601 50 HB2 ALA 5 1HB ALA 5 16.234 3.783 -20.439 51 HB3 ALA 5 2HB ALA 5 15.151 2.417 -20.697 52 H GLU 6 H GLU 6 12.818 5.915 -22.338 53 HA GLU 6 HA GLU 6 14.417 8.269 -22.113 54 HB2 GLU 6 2HB GLU 6 11.423 7.978 -22.420 55 HB3 GLU 6 3HB GLU 6 12.340 9.458 -22.662 56 HG2 GLU 6 2HG GLU 6 13.454 8.531 -24.566 57 HG3 GLU 6 3HG GLU 6 12.739 6.946 -24.271 58 H PHE 7 H PHE 7 11.505 7.194 -20.370 59 HA PHE 7 HA PHE 7 11.821 9.221 -18.360 60 HB2 PHE 7 2HB PHE 7 10.016 6.798 -18.231 61 HB3 PHE 7 3HB PHE 7 9.825 8.327 -17.378 62 HD1 PHE 7 HD1 PHE 7 9.507 10.429 -18.870 63 HD2 PHE 7 HD2 PHE 7 8.873 6.439 -20.199 64 HE1 PHE 7 HE1 PHE 7 8.094 11.265 -20.701 65 HE2 PHE 7 HE2 PHE 7 7.460 7.268 -22.033 66 HZ PHE 7 HZ PHE 7 7.070 9.685 -22.288 67 H THR 8 H THR 8 13.287 9.066 -16.775 68 HA THR 8 HA THR 8 14.320 6.408 -16.127 69 HB THR 8 HB THR 8 15.421 9.120 -15.367 70 HG1 THR 8 HG1 THR 8 15.359 8.318 -17.712 71 HG21 THR 8 3HG2 THR 8 16.647 6.360 -15.220 72 HG22 THR 8 1HG2 THR 8 16.131 7.343 -13.851 73 HG23 THR 8 2HG2 THR 8 17.478 7.872 -14.858 74 H PHE 9 H PHE 9 13.456 5.420 -14.432 75 HA PHE 9 HA PHE 9 12.550 7.040 -12.164 76 HB2 PHE 9 2HB PHE 9 11.298 5.019 -11.441 77 HB3 PHE 9 3HB PHE 9 10.808 5.579 -13.034 78 HD1 PHE 9 HD1 PHE 9 11.694 4.346 -15.068 79 HD2 PHE 9 HD2 PHE 9 12.042 2.837 -11.102 80 HE1 PHE 9 HE1 PHE 9 12.058 2.082 -15.963 81 HE2 PHE 9 HE2 PHE 9 12.407 0.573 -11.992 82 HZ PHE 9 HZ PHE 9 12.416 0.193 -14.423 83 H GLU 10 H GLU 10 13.816 7.130 -10.461 84 HA GLU 10 HA GLU 10 15.991 5.169 -10.291 85 HB2 GLU 10 2HB GLU 10 17.162 6.978 -8.972 86 HB3 GLU 10 3HB GLU 10 16.888 7.323 -10.675 87 HG2 GLU 10 2HG GLU 10 14.871 8.634 -10.000 88 HG3 GLU 10 3HG GLU 10 15.361 8.409 -8.320 89 H ILE 11 H ILE 11 15.917 3.749 -8.749 90 HA ILE 11 HA ILE 11 14.141 4.120 -6.482 91 HB ILE 11 HB ILE 11 15.940 1.762 -7.123 92 HG12 ILE 11 2HG1 ILE 11 13.621 0.685 -7.599 93 HG13 ILE 11 3HG1 ILE 11 13.060 2.342 -7.779 94 HG21 ILE 11 1HG2 ILE 11 14.557 0.555 -5.490 95 HG22 ILE 11 2HG2 ILE 11 13.702 2.055 -5.123 96 HG23 ILE 11 3HG2 ILE 11 15.424 1.908 -4.762 97 HD11 ILE 11 3HD1 ILE 11 15.229 1.027 -9.391 98 HD12 ILE 11 1HD1 ILE 11 14.674 2.689 -9.576 99 HD13 ILE 11 2HD1 ILE 11 13.582 1.352 -9.927 100 H GLU 12 H GLU 12 15.061 5.695 -5.278 101 HA GLU 12 HA GLU 12 17.893 5.604 -4.664 102 HB2 GLU 12 2HB GLU 12 15.762 7.615 -3.936 103 HB3 GLU 12 3HB GLU 12 17.481 7.801 -3.615 104 HG2 GLU 12 2HG GLU 12 16.231 7.552 -6.335 105 HG3 GLU 12 3HG GLU 12 16.764 9.056 -5.581 106 H GLU 13 H GLU 13 14.838 5.005 -3.107 107 HA GLU 13 HA GLU 13 16.251 4.245 -0.666 108 HB2 GLU 13 2HB GLU 13 15.564 6.600 -0.404 109 HB3 GLU 13 3HB GLU 13 13.898 6.136 -0.711 110 HG2 GLU 13 2HG GLU 13 13.849 4.822 1.307 111 HG3 GLU 13 3HG GLU 13 15.559 5.153 1.596 112 H HIS 14 H HIS 14 15.568 2.361 0.053 113 HA HIS 14 HA HIS 14 12.989 1.313 -0.842 114 HB2 HIS 14 2HB HIS 14 15.187 -0.017 0.772 115 HB3 HIS 14 3HB HIS 14 13.732 -0.808 0.180 116 HD1 HIS 14 HD1 HIS 14 13.621 -1.389 -2.337 117 HD2 HIS 14 HD2 HIS 14 17.209 0.359 -1.139 118 HE1 HIS 14 HE1 HIS 14 15.217 -1.716 -4.252 119 HE2 HIS 14 HE2 HIS 14 17.431 -0.865 -3.413 120 H LEU 15 H LEU 15 11.364 2.133 0.341 121 HA LEU 15 HA LEU 15 11.645 3.244 2.904 122 HB2 LEU 15 2HB LEU 15 9.234 2.390 1.322 123 HB3 LEU 15 3HB LEU 15 9.098 3.136 2.901 124 HG LEU 15 HG LEU 15 10.475 4.457 0.566 125 HD11 LEU 15 1HD1 LEU 15 7.652 4.819 1.569 126 HD12 LEU 15 2HD1 LEU 15 8.111 4.049 0.050 127 HD13 LEU 15 3HD1 LEU 15 8.438 5.762 0.302 128 HD21 LEU 15 3HD2 LEU 15 9.433 5.515 3.193 129 HD22 LEU 15 1HD2 LEU 15 10.177 6.475 1.911 130 HD23 LEU 15 2HD2 LEU 15 11.130 5.268 2.777 131 H LEU 16 H LEU 16 10.087 0.197 1.908 132 HA LEU 16 HA LEU 16 10.493 -0.858 4.594 133 HB2 LEU 16 2HB LEU 16 8.215 0.499 4.145 134 HB3 LEU 16 3HB LEU 16 7.725 -1.082 3.568 135 HG LEU 16 HG LEU 16 8.694 -0.397 6.341 136 HD11 LEU 16 1HD1 LEU 16 6.455 0.352 5.860 137 HD12 LEU 16 2HD1 LEU 16 6.417 -1.023 6.960 138 HD13 LEU 16 3HD1 LEU 16 6.023 -1.248 5.260 139 HD21 LEU 16 3HD2 LEU 16 7.826 -3.066 5.226 140 HD22 LEU 16 1HD2 LEU 16 8.177 -2.716 6.919 141 HD23 LEU 16 2HD2 LEU 16 9.465 -2.632 5.718 142 H THR 17 H THR 17 11.359 -2.779 4.202 143 HA THR 17 HA THR 17 10.574 -4.328 1.867 144 HB THR 17 HB THR 17 12.516 -5.154 4.034 145 HG1 THR 17 HG1 THR 17 12.800 -3.349 1.893 146 HG21 THR 17 3HG2 THR 17 13.493 -6.510 2.234 147 HG22 THR 17 1HG2 THR 17 12.254 -5.925 1.122 148 HG23 THR 17 2HG2 THR 17 11.799 -6.925 2.502 149 H LEU 18 H LEU 18 8.627 -5.283 2.125 150 HA LEU 18 HA LEU 18 7.642 -6.030 4.700 151 HB2 LEU 18 2HB LEU 18 6.541 -6.556 1.942 152 HB3 LEU 18 3HB LEU 18 5.696 -6.919 3.435 153 HG LEU 18 HG LEU 18 6.500 -4.166 2.489 154 HD11 LEU 18 1HD1 LEU 18 3.796 -5.475 2.709 155 HD12 LEU 18 2HD1 LEU 18 4.664 -5.147 1.208 156 HD13 LEU 18 3HD1 LEU 18 4.108 -3.807 2.219 157 HD21 LEU 18 3HD2 LEU 18 6.572 -4.352 4.925 158 HD22 LEU 18 1HD2 LEU 18 4.940 -5.019 4.927 159 HD23 LEU 18 2HD2 LEU 18 5.213 -3.358 4.402 160 H SER 19 H SER 19 7.823 -8.115 1.804 161 HA SER 19 HA SER 19 9.207 -10.173 3.268 162 HB2 SER 19 2HB SER 19 6.307 -10.552 2.493 163 HB3 SER 19 3HB SER 19 7.387 -11.859 2.973 164 HG SER 19 HG SER 19 7.391 -9.771 4.737 165 H GLU 20 H GLU 20 9.994 -11.800 1.992 166 HA GLU 20 HA GLU 20 9.828 -11.482 -0.895 167 HB2 GLU 20 2HB GLU 20 12.006 -11.943 0.023 168 HB3 GLU 20 3HB GLU 20 11.393 -13.317 0.929 169 HG2 GLU 20 2HG GLU 20 10.801 -13.856 -1.750 170 HG3 GLU 20 3HG GLU 20 12.446 -13.214 -1.733 171 H ASN 21 H ASN 21 8.263 -12.462 -2.012 172 HA ASN 21 HA ASN 21 6.869 -14.733 -0.759 173 HB2 ASN 21 2HB ASN 21 5.859 -12.542 -2.571 174 HB3 ASN 21 3HB ASN 21 4.949 -14.021 -2.292 175 HD21 ASN 21 1HD2 ASN 21 4.011 -14.381 -0.297 176 HD22 ASN 21 2HD2 ASN 21 3.845 -13.134 0.892 177 H GLU 22 H GLU 22 5.801 -16.211 -2.276 178 HA GLU 22 HA GLU 22 5.794 -17.737 -3.924 179 HB2 GLU 22 2HB GLU 22 7.134 -15.550 -5.520 180 HB3 GLU 22 3HB GLU 22 6.521 -17.052 -6.197 181 HG2 GLU 22 2HG GLU 22 4.872 -14.953 -4.799 182 HG3 GLU 22 3HG GLU 22 4.963 -15.212 -6.541 183 H LYS 23 H LYS 23 8.898 -16.122 -4.519 184 HA LYS 23 HA LYS 23 10.475 -18.272 -3.569 185 HB2 LYS 23 2HB LYS 23 9.485 -19.292 -5.642 186 HB3 LYS 23 3HB LYS 23 10.287 -18.041 -6.577 187 HG2 LYS 23 2HG LYS 23 12.453 -18.859 -5.896 188 HG3 LYS 23 3HG LYS 23 11.698 -20.055 -4.838 189 HD2 LYS 23 2HD LYS 23 11.459 -19.911 -7.844 190 HD3 LYS 23 3HD LYS 23 12.392 -21.093 -6.922 191 HE2 LYS 23 2HE LYS 23 10.385 -21.992 -5.945 192 HE3 LYS 23 3HE LYS 23 9.406 -20.729 -6.689 193 HZ1 LYS 23 3HZ LYS 23 10.918 -22.835 -8.140 194 HZ2 LYS 23 1HZ LYS 23 9.984 -21.617 -8.865 195 HZ3 LYS 23 2HZ LYS 23 9.240 -22.802 -7.903 196 H GLY 24 H GLY 24 10.596 -16.030 -6.347 197 HA2 GLY 24 2HA GLY 24 12.815 -14.645 -4.968 198 HA3 GLY 24 3HA GLY 24 12.797 -14.911 -6.708 199 H TRP 25 H TRP 25 9.780 -14.203 -5.249 200 HA TRP 25 HA TRP 25 9.803 -11.592 -6.577 201 HB2 TRP 25 2HB TRP 25 7.577 -13.436 -5.725 202 HB3 TRP 25 3HB TRP 25 7.271 -11.757 -6.157 203 HD1 TRP 25 HD1 TRP 25 8.508 -15.053 -7.727 204 HE1 TRP 25 HE1 TRP 25 8.139 -14.917 -10.276 205 HE3 TRP 25 HE3 TRP 25 6.980 -10.188 -8.046 206 HZ2 TRP 25 HZ2 TRP 25 7.310 -12.986 -12.162 207 HZ3 TRP 25 HZ3 TRP 25 6.418 -9.270 -10.259 208 HH2 TRP 25 HH2 TRP 25 6.579 -10.640 -12.272 209 H THR 26 H THR 26 10.571 -10.102 -5.207 210 HA THR 26 HA THR 26 9.876 -10.241 -2.388 211 HB THR 26 HB THR 26 11.489 -8.118 -3.823 212 HG1 THR 26 HG1 THR 26 12.083 -10.659 -3.529 213 HG21 THR 26 3HG2 THR 26 12.461 -7.730 -1.591 214 HG22 THR 26 1HG2 THR 26 11.375 -8.944 -0.912 215 HG23 THR 26 2HG2 THR 26 10.718 -7.455 -1.592 216 H LYS 27 H LYS 27 8.423 -8.934 -1.372 217 HA LYS 27 HA LYS 27 7.076 -6.910 -3.039 218 HB2 LYS 27 2HB LYS 27 5.703 -8.892 -2.248 219 HB3 LYS 27 3HB LYS 27 5.925 -8.292 -0.615 220 HG2 LYS 27 2HG LYS 27 4.647 -6.370 -1.029 221 HG3 LYS 27 3HG LYS 27 4.732 -6.593 -2.777 222 HD2 LYS 27 2HD LYS 27 2.527 -7.205 -1.902 223 HD3 LYS 27 3HD LYS 27 3.354 -8.594 -2.609 224 HE2 LYS 27 2HE LYS 27 4.056 -9.286 -0.345 225 HE3 LYS 27 3HE LYS 27 3.146 -7.933 0.326 226 HZ1 LYS 27 3HZ LYS 27 1.810 -9.872 0.495 227 HZ2 LYS 27 1HZ LYS 27 2.067 -10.278 -1.133 228 HZ3 LYS 27 2HZ LYS 27 1.137 -8.920 -0.740 229 H GLU 28 H GLU 28 7.532 -4.895 -2.487 230 HA GLU 28 HA GLU 28 8.079 -4.222 0.278 231 HB2 GLU 28 2HB GLU 28 10.269 -4.730 -0.065 232 HB3 GLU 28 3HB GLU 28 10.159 -4.542 -1.804 233 HG2 GLU 28 2HG GLU 28 9.941 -2.033 -0.324 234 HG3 GLU 28 3HG GLU 28 11.479 -2.871 -0.114 235 H ILE 29 H ILE 29 8.150 -1.993 0.684 236 HA ILE 29 HA ILE 29 6.792 -0.366 -1.344 237 HB ILE 29 HB ILE 29 7.212 0.185 1.604 238 HG12 ILE 29 2HG1 ILE 29 4.729 -0.780 0.172 239 HG13 ILE 29 3HG1 ILE 29 5.781 -1.804 1.140 240 HG21 ILE 29 1HG2 ILE 29 6.917 2.209 0.288 241 HG22 ILE 29 2HG2 ILE 29 5.496 1.912 1.289 242 HG23 ILE 29 3HG2 ILE 29 5.453 1.543 -0.435 243 HD11 ILE 29 3HD1 ILE 29 5.245 -0.477 3.113 244 HD12 ILE 29 1HD1 ILE 29 3.797 -1.154 2.371 245 HD13 ILE 29 2HD1 ILE 29 4.194 0.548 2.137 246 H ASN 30 H ASN 30 7.926 1.141 -2.402 247 HA ASN 30 HA ASN 30 10.566 1.877 -1.317 248 HB2 ASN 30 2HB ASN 30 11.346 1.974 -3.708 249 HB3 ASN 30 3HB ASN 30 10.971 0.358 -3.120 250 HD21 ASN 30 1HD2 ASN 30 9.290 -0.771 -3.990 251 HD22 ASN 30 2HD2 ASN 30 8.402 -0.228 -5.380 252 H ARG 31 H ARG 31 11.469 3.857 -2.330 253 HA ARG 31 HA ARG 31 9.363 5.795 -3.006 254 HB2 ARG 31 2HB ARG 31 10.318 6.092 -0.696 255 HB3 ARG 31 3HB ARG 31 11.888 6.377 -1.436 256 HG2 ARG 31 2HG ARG 31 11.153 8.379 -2.444 257 HG3 ARG 31 3HG ARG 31 9.466 8.026 -2.080 258 HD2 ARG 31 2HD ARG 31 10.320 9.725 -0.572 259 HD3 ARG 31 3HD ARG 31 9.937 8.250 0.313 260 HE ARG 31 HE ARG 31 12.227 7.886 0.676 261 HH11 ARG 31 1HH1 ARG 31 11.626 10.800 -1.178 262 HH12 ARG 31 2HH1 ARG 31 13.189 11.475 -0.865 263 HH21 ARG 31 1HH2 ARG 31 14.285 8.776 1.103 264 HH22 ARG 31 2HH2 ARG 31 14.720 10.317 0.419 265 H VAL 32 H VAL 32 9.580 6.257 -5.087 266 HA VAL 32 HA VAL 32 12.292 6.270 -6.258 267 HB VAL 32 HB VAL 32 9.746 5.152 -7.444 268 HG11 VAL 32 1HG1 VAL 32 10.988 6.317 -9.183 269 HG12 VAL 32 2HG1 VAL 32 11.083 4.570 -9.414 270 HG13 VAL 32 3HG1 VAL 32 12.457 5.444 -8.737 271 HG21 VAL 32 3HG2 VAL 32 12.371 3.845 -6.758 272 HG22 VAL 32 1HG2 VAL 32 10.979 3.051 -7.497 273 HG23 VAL 32 2HG2 VAL 32 10.864 3.682 -5.855 274 H SER 33 H SER 33 12.818 7.928 -7.544 275 HA SER 33 HA SER 33 10.873 10.035 -8.027 276 HB2 SER 33 2HB SER 33 13.132 10.675 -7.296 277 HB3 SER 33 3HB SER 33 13.826 9.859 -8.697 278 HG SER 33 HG SER 33 12.296 12.230 -8.588 279 H PHE 34 H PHE 34 9.673 10.032 -9.824 280 HA PHE 34 HA PHE 34 10.453 8.271 -12.021 281 HB2 PHE 34 2HB PHE 34 7.831 9.705 -11.523 282 HB3 PHE 34 3HB PHE 34 8.137 8.538 -12.805 283 HD1 PHE 34 HD2 PHE 34 8.523 6.158 -12.240 284 HD2 PHE 34 HD1 PHE 34 7.336 9.010 -9.312 285 HE1 PHE 34 HE2 PHE 34 7.844 4.331 -10.736 286 HE2 PHE 34 HE1 PHE 34 6.667 7.189 -7.803 287 HZ PHE 34 HZ PHE 34 6.917 4.846 -8.513 288 H ASN 35 H ASN 35 12.096 9.596 -12.833 289 HA ASN 35 HA ASN 35 13.094 11.242 -14.027 290 HB2 ASN 35 2HB ASN 35 11.245 10.232 -15.602 291 HB3 ASN 35 3HB ASN 35 10.502 11.818 -15.412 292 HD21 ASN 35 1HD2 ASN 35 10.816 12.431 -17.525 293 HD22 ASN 35 2HD2 ASN 35 12.389 12.775 -18.180 294 H GLY 36 H GLY 36 11.707 12.008 -11.530 295 HA2 GLY 36 2HA GLY 36 12.230 14.621 -11.247 296 HA3 GLY 36 3HA GLY 36 10.658 14.661 -12.031 297 H ALA 37 H ALA 37 10.688 15.832 -9.693 298 HA ALA 37 HA ALA 37 9.614 15.954 -7.700 299 HB1 ALA 37 3HB ALA 37 8.036 14.226 -7.023 300 HB2 ALA 37 1HB ALA 37 8.650 13.155 -8.279 301 HB3 ALA 37 2HB ALA 37 7.820 14.646 -8.723 302 HA PRO 38 HA PRO 38 12.553 14.366 -4.842 303 HB2 PRO 38 2HB PRO 38 11.239 14.614 -2.489 304 HB3 PRO 38 3HB PRO 38 11.800 16.012 -3.414 305 HG2 PRO 38 2HG PRO 38 9.066 14.790 -3.308 306 HG3 PRO 38 3HG PRO 38 9.528 16.501 -3.218 307 HD2 PRO 38 2HD PRO 38 8.629 15.373 -5.500 308 HD3 PRO 38 3HD PRO 38 9.848 16.664 -5.500 309 H ALA 39 H ALA 39 11.055 12.294 -6.136 310 HA ALA 39 HA ALA 39 10.747 10.063 -6.041 311 HB1 ALA 39 3HB ALA 39 12.021 10.254 -3.311 312 HB2 ALA 39 1HB ALA 39 12.865 9.988 -4.841 313 HB3 ALA 39 2HB ALA 39 11.746 8.771 -4.224 314 H LYS 40 H LYS 40 8.754 9.345 -6.006 315 HA LYS 40 HA LYS 40 6.998 10.051 -3.773 316 HB2 LYS 40 2HB LYS 40 6.464 9.013 -6.553 317 HB3 LYS 40 3HB LYS 40 5.209 9.119 -5.329 318 HG2 LYS 40 2HG LYS 40 6.848 11.449 -6.302 319 HG3 LYS 40 3HG LYS 40 5.238 11.031 -6.892 320 HD2 LYS 40 2HD LYS 40 4.304 11.367 -4.687 321 HD3 LYS 40 3HD LYS 40 5.910 11.659 -4.017 322 HE2 LYS 40 2HE LYS 40 4.783 13.767 -4.333 323 HE3 LYS 40 3HE LYS 40 6.118 13.640 -5.474 324 HZ1 LYS 40 3HZ LYS 40 4.162 14.539 -6.539 325 HZ2 LYS 40 1HZ LYS 40 3.243 13.185 -6.097 326 HZ3 LYS 40 2HZ LYS 40 4.521 13.019 -7.202 327 H PHE 41 H PHE 41 5.204 8.159 -3.559 328 HA PHE 41 HA PHE 41 6.806 5.939 -2.519 329 HB2 PHE 41 2HB PHE 41 3.923 6.549 -1.882 330 HB3 PHE 41 3HB PHE 41 5.057 5.578 -0.950 331 HD1 PHE 41 HD2 PHE 41 6.908 6.714 0.289 332 HD2 PHE 41 HD1 PHE 41 3.762 8.889 -1.573 333 HE1 PHE 41 HE2 PHE 41 7.478 8.681 1.642 334 HE2 PHE 41 HE1 PHE 41 4.329 10.865 -0.219 335 HZ PHE 41 HZ PHE 41 6.188 10.765 1.390 336 H ASP 42 H ASP 42 6.654 3.943 -3.378 337 HA ASP 42 HA ASP 42 4.212 3.233 -4.847 338 HB2 ASP 42 2HB ASP 42 5.917 3.836 -6.529 339 HB3 ASP 42 3HB ASP 42 7.022 2.658 -5.828 340 H ILE 43 H ILE 43 3.402 1.342 -4.278 341 HA ILE 43 HA ILE 43 5.079 -0.491 -2.687 342 HB ILE 43 HB ILE 43 2.057 -0.414 -2.853 343 HG12 ILE 43 2HG1 ILE 43 3.866 0.608 -0.651 344 HG13 ILE 43 3HG1 ILE 43 2.975 1.623 -1.779 345 HG21 ILE 43 1HG2 ILE 43 3.930 -1.908 -1.022 346 HG22 ILE 43 2HG2 ILE 43 2.920 -2.604 -2.289 347 HG23 ILE 43 3HG2 ILE 43 2.174 -1.875 -0.868 348 HD11 ILE 43 3HD1 ILE 43 1.756 -0.263 0.227 349 HD12 ILE 43 1HD1 ILE 43 0.874 0.788 -0.882 350 HD13 ILE 43 2HD1 ILE 43 1.874 1.492 0.389 351 H ARG 44 H ARG 44 5.907 -2.030 -4.033 352 HA ARG 44 HA ARG 44 4.113 -3.122 -6.088 353 HB2 ARG 44 2HB ARG 44 5.928 -1.233 -6.743 354 HB3 ARG 44 3HB ARG 44 6.919 -2.672 -6.912 355 HG2 ARG 44 2HG ARG 44 5.023 -3.583 -8.365 356 HG3 ARG 44 3HG ARG 44 4.442 -1.918 -8.411 357 HD2 ARG 44 2HD ARG 44 5.786 -2.210 -10.335 358 HD3 ARG 44 3HD ARG 44 6.746 -1.261 -9.198 359 HE ARG 44 HE ARG 44 7.342 -3.955 -8.780 360 HH11 ARG 44 1HH1 ARG 44 7.787 -1.514 -11.260 361 HH12 ARG 44 2HH1 ARG 44 9.197 -2.277 -11.929 362 HH21 ARG 44 1HH2 ARG 44 9.187 -4.944 -9.664 363 HH22 ARG 44 2HH2 ARG 44 9.987 -4.222 -11.021 364 H ALA 45 H ALA 45 5.035 -5.051 -7.160 365 HA ALA 45 HA ALA 45 6.661 -6.660 -5.330 366 HB1 ALA 45 3HB ALA 45 4.554 -7.663 -6.022 367 HB2 ALA 45 1HB ALA 45 5.913 -8.579 -6.671 368 HB3 ALA 45 2HB ALA 45 5.007 -7.485 -7.718 369 H TRP 46 H TRP 46 8.548 -7.659 -6.026 370 HA TRP 46 HA TRP 46 9.668 -6.636 -8.553 371 HB2 TRP 46 2HB TRP 46 11.115 -7.399 -6.007 372 HB3 TRP 46 3HB TRP 46 11.889 -6.860 -7.491 373 HD1 TRP 46 HD1 TRP 46 9.928 -5.553 -4.489 374 HE1 TRP 46 HE1 TRP 46 10.114 -2.979 -4.418 375 HE3 TRP 46 HE3 TRP 46 12.203 -4.790 -9.010 376 HZ2 TRP 46 HZ2 TRP 46 11.089 -0.917 -6.073 377 HZ3 TRP 46 HZ3 TRP 46 12.725 -2.483 -9.685 378 HH2 TRP 46 HH2 TRP 46 12.180 -0.589 -8.248 379 H SER 47 H SER 47 10.404 -8.078 -10.006 380 HA SER 47 HA SER 47 9.939 -10.885 -9.526 381 HB2 SER 47 2HB SER 47 10.710 -11.083 -11.928 382 HB3 SER 47 3HB SER 47 9.321 -10.024 -11.687 383 HG SER 47 HG SER 47 11.792 -9.452 -12.671 384 HA PRO 48 HA PRO 48 14.245 -12.095 -8.866 385 HB2 PRO 48 2HB PRO 48 14.468 -14.293 -10.474 386 HB3 PRO 48 3HB PRO 48 13.657 -14.320 -8.905 387 HG2 PRO 48 2HG PRO 48 12.470 -14.109 -11.645 388 HG3 PRO 48 3HG PRO 48 11.926 -15.071 -10.258 389 HD2 PRO 48 2HD PRO 48 10.758 -12.734 -10.926 390 HD3 PRO 48 3HD PRO 48 10.914 -13.267 -9.241 391 H ASP 49 H ASP 49 14.433 -9.984 -10.188 392 HA ASP 49 HA ASP 49 15.480 -8.713 -11.734 393 HB2 ASP 49 2HB ASP 49 17.256 -10.665 -11.427 394 HB3 ASP 49 3HB ASP 49 16.760 -11.065 -13.068 395 H HIS 50 H HIS 50 15.992 -9.000 -14.396 396 HA HIS 50 HA HIS 50 15.023 -8.960 -16.451 397 HB2 HIS 50 2HB HIS 50 14.557 -11.444 -15.674 398 HB3 HIS 50 3HB HIS 50 12.890 -10.887 -15.620 399 HD1 HIS 50 HD1 HIS 50 11.744 -10.332 -17.887 400 HD2 HIS 50 HD2 HIS 50 15.642 -11.750 -18.226 401 HE1 HIS 50 HE1 HIS 50 12.056 -10.892 -20.318 402 HE2 HIS 50 HE2 HIS 50 14.379 -11.861 -20.486 403 H THR 51 H THR 51 14.052 -7.097 -16.898 404 HA THR 51 HA THR 51 12.370 -5.670 -15.294 405 HB THR 51 HB THR 51 13.448 -4.560 -17.096 406 HG1 THR 51 HG1 THR 51 10.794 -4.379 -18.004 407 HG21 THR 51 3HG2 THR 51 12.837 -4.914 -19.456 408 HG22 THR 51 1HG2 THR 51 11.789 -6.250 -18.973 409 HG23 THR 51 2HG2 THR 51 13.532 -6.360 -18.725 410 H LYS 52 H LYS 52 10.520 -6.238 -14.456 411 HA LYS 52 HA LYS 52 8.279 -6.910 -16.160 412 HB2 LYS 52 2HB LYS 52 9.459 -9.077 -15.537 413 HB3 LYS 52 3HB LYS 52 9.012 -8.745 -13.871 414 HG2 LYS 52 2HG LYS 52 6.649 -8.807 -14.493 415 HG3 LYS 52 3HG LYS 52 7.101 -9.134 -16.168 416 HD2 LYS 52 2HD LYS 52 8.319 -11.175 -15.308 417 HD3 LYS 52 3HD LYS 52 7.536 -10.884 -13.757 418 HE2 LYS 52 2HE LYS 52 6.156 -11.376 -16.390 419 HE3 LYS 52 3HE LYS 52 6.305 -12.529 -15.066 420 HZ1 LYS 52 3HZ LYS 52 4.977 -9.910 -14.711 421 HZ2 LYS 52 1HZ LYS 52 4.857 -11.287 -13.734 422 HZ3 LYS 52 2HZ LYS 52 4.134 -11.262 -15.266 423 H MET 53 H MET 53 6.277 -6.545 -15.118 424 HA MET 53 HA MET 53 6.369 -5.534 -12.379 425 HB2 MET 53 2HB MET 53 5.204 -3.506 -12.881 426 HB3 MET 53 3HB MET 53 6.603 -3.579 -13.938 427 HG2 MET 53 2HG MET 53 3.799 -4.313 -14.750 428 HG3 MET 53 3HG MET 53 4.553 -2.747 -15.044 429 HE1 MET 53 3HE MET 53 4.455 -4.236 -18.627 430 HE2 MET 53 1HE MET 53 4.062 -2.860 -17.599 431 HE3 MET 53 2HE MET 53 3.232 -4.396 -17.368 432 H GLY 54 H GLY 54 3.958 -4.962 -11.744 433 HA2 GLY 54 2HA GLY 54 1.823 -6.292 -12.945 434 HA3 GLY 54 3HA GLY 54 2.570 -7.416 -11.817 435 H LYS 55 H LYS 55 1.992 -7.324 -9.762 436 HA LYS 55 HA LYS 55 -0.039 -5.526 -8.910 437 HB2 LYS 55 2HB LYS 55 1.599 -7.591 -7.433 438 HB3 LYS 55 3HB LYS 55 0.305 -6.661 -6.683 439 HG2 LYS 55 2HG LYS 55 -1.339 -7.639 -8.037 440 HG3 LYS 55 3HG LYS 55 -0.148 -8.281 -9.164 441 HD2 LYS 55 2HD LYS 55 0.646 -9.833 -7.448 442 HD3 LYS 55 3HD LYS 55 -0.535 -9.179 -6.311 443 HE2 LYS 55 2HE LYS 55 -2.355 -10.021 -7.547 444 HE3 LYS 55 3HE LYS 55 -1.351 -10.332 -8.962 445 HZ1 LYS 55 3HZ LYS 55 -1.162 -11.788 -6.373 446 HZ2 LYS 55 1HZ LYS 55 -0.245 -12.102 -7.767 447 HZ3 LYS 55 2HZ LYS 55 -1.919 -12.365 -7.773 448 H GLY 56 H GLY 56 0.184 -3.566 -8.162 449 HA2 GLY 56 2HA GLY 56 2.033 -2.609 -6.338 450 HA3 GLY 56 3HA GLY 56 2.732 -2.338 -7.928 451 H ILE 57 H ILE 57 1.993 -0.278 -6.102 452 HA ILE 57 HA ILE 57 0.196 1.228 -7.783 453 HB ILE 57 HB ILE 57 -1.426 0.068 -6.388 454 HG12 ILE 57 2HG1 ILE 57 -1.101 2.970 -5.590 455 HG13 ILE 57 3HG1 ILE 57 -1.908 2.386 -7.041 456 HG21 ILE 57 1HG2 ILE 57 -0.027 -0.447 -4.472 457 HG22 ILE 57 2HG2 ILE 57 -1.489 0.396 -3.955 458 HG23 ILE 57 3HG2 ILE 57 0.044 1.264 -4.037 459 HD11 ILE 57 3HD1 ILE 57 -3.527 3.015 -5.375 460 HD12 ILE 57 1HD1 ILE 57 -2.788 1.928 -4.200 461 HD13 ILE 57 2HD1 ILE 57 -3.583 1.272 -5.631 462 H THR 58 H THR 58 0.546 3.388 -7.659 463 HA THR 58 HA THR 58 2.663 4.310 -5.896 464 HB THR 58 HB THR 58 2.199 6.480 -7.337 465 HG1 THR 58 HG1 THR 58 1.281 6.048 -9.308 466 HG21 THR 58 3HG2 THR 58 3.561 4.016 -8.425 467 HG22 THR 58 1HG2 THR 58 4.283 5.223 -7.364 468 HG23 THR 58 2HG2 THR 58 3.811 5.661 -9.005 469 H LEU 59 H LEU 59 2.390 5.679 -4.252 470 HA LEU 59 HA LEU 59 -0.312 6.778 -3.791 471 HB2 LEU 59 2HB LEU 59 1.713 5.882 -1.732 472 HB3 LEU 59 3HB LEU 59 0.159 6.606 -1.377 473 HG LEU 59 HG LEU 59 0.582 3.943 -2.727 474 HD11 LEU 59 1HD1 LEU 59 1.192 3.930 -0.360 475 HD12 LEU 59 2HD1 LEU 59 -0.266 2.986 -0.665 476 HD13 LEU 59 3HD1 LEU 59 -0.390 4.598 0.048 477 HD21 LEU 59 3HD2 LEU 59 -1.948 5.330 -1.849 478 HD22 LEU 59 1HD2 LEU 59 -1.844 3.668 -2.430 479 HD23 LEU 59 2HD2 LEU 59 -1.452 5.006 -3.511 480 H SER 60 H SER 60 -0.455 8.914 -3.143 481 HA SER 60 HA SER 60 2.011 10.460 -3.361 482 HB2 SER 60 2HB SER 60 -0.103 11.116 -4.597 483 HB3 SER 60 3HB SER 60 -0.809 11.505 -3.029 484 HG SER 60 HG SER 60 0.801 13.000 -4.550 485 H ASN 61 H ASN 61 1.546 12.607 -1.780 486 HA ASN 61 HA ASN 61 2.456 11.653 0.709 487 HB2 ASN 61 2HB ASN 61 2.200 14.076 1.423 488 HB3 ASN 61 3HB ASN 61 3.226 13.786 0.024 489 HD21 ASN 61 1HD2 ASN 61 0.206 15.120 1.143 490 HD22 ASN 61 2HD2 ASN 61 -0.183 15.967 -0.318 491 H GLU 62 H GLU 62 -0.726 12.652 -0.386 492 HA GLU 62 HA GLU 62 -1.843 12.931 2.206 493 HB2 GLU 62 2HB GLU 62 -3.148 12.512 -0.484 494 HB3 GLU 62 3HB GLU 62 -4.036 12.838 0.998 495 HG2 GLU 62 2HG GLU 62 -2.027 14.648 -0.322 496 HG3 GLU 62 3HG GLU 62 -3.775 14.868 -0.271 497 H GLU 63 H GLU 63 -2.277 10.370 -0.248 498 HA GLU 63 HA GLU 63 -3.806 8.660 1.334 499 HB2 GLU 63 2HB GLU 63 -1.800 7.745 -0.730 500 HB3 GLU 63 3HB GLU 63 -3.248 6.902 -0.207 501 HG2 GLU 63 2HG GLU 63 -4.023 7.751 -2.148 502 HG3 GLU 63 3HG GLU 63 -4.407 9.112 -1.094 503 H PHE 64 H PHE 64 -0.303 8.874 0.982 504 HA PHE 64 HA PHE 64 0.352 6.536 2.390 505 HB2 PHE 64 2HB PHE 64 1.769 8.265 0.922 506 HB3 PHE 64 3HB PHE 64 2.196 8.868 2.522 507 HD1 PHE 64 HD2 PHE 64 2.148 5.812 0.434 508 HD2 PHE 64 HD1 PHE 64 3.834 7.794 3.795 509 HE1 PHE 64 HE2 PHE 64 3.830 4.027 0.631 510 HE2 PHE 64 HE1 PHE 64 5.526 6.019 3.997 511 HZ PHE 64 HZ PHE 64 5.523 4.132 2.413 512 H GLN 65 H GLN 65 0.335 9.940 3.503 513 HA GLN 65 HA GLN 65 0.973 9.312 6.180 514 HB2 GLN 65 2HB GLN 65 0.085 11.694 4.703 515 HB3 GLN 65 3HB GLN 65 -0.397 11.671 6.394 516 HG2 GLN 65 2HG GLN 65 2.435 11.159 5.549 517 HG3 GLN 65 3HG GLN 65 1.814 12.788 5.796 518 HE21 GLN 65 1HE2 GLN 65 0.668 10.136 7.746 519 HE22 GLN 65 2HE2 GLN 65 1.460 10.606 9.204 520 H THR 66 H THR 66 -2.102 9.629 4.490 521 HA THR 66 HA THR 66 -3.808 9.668 6.717 522 HB THR 66 HB THR 66 -4.354 8.571 3.950 523 HG1 THR 66 HG1 THR 66 -3.803 10.754 3.864 524 HG21 THR 66 3HG2 THR 66 -6.014 7.790 5.570 525 HG22 THR 66 1HG2 THR 66 -6.718 8.975 4.470 526 HG23 THR 66 2HG2 THR 66 -6.275 9.449 6.111 527 H MET 67 H MET 67 -2.676 6.907 4.742 528 HA MET 67 HA MET 67 -4.171 4.960 6.124 529 HB2 MET 67 2HB MET 67 -2.833 3.305 5.032 530 HB3 MET 67 3HB MET 67 -3.083 4.615 3.889 531 HG2 MET 67 2HG MET 67 -0.849 5.447 4.321 532 HG3 MET 67 3HG MET 67 -0.604 4.199 5.539 533 HE1 MET 67 3HE MET 67 1.510 4.622 3.341 534 HE2 MET 67 1HE MET 67 1.810 2.975 2.787 535 HE3 MET 67 2HE MET 67 1.592 3.300 4.508 536 H VAL 68 H VAL 68 -0.915 6.228 6.635 537 HA VAL 68 HA VAL 68 0.008 4.423 8.528 538 HB VAL 68 HB VAL 68 0.570 7.388 8.315 539 HG11 VAL 68 1HG1 VAL 68 2.155 5.284 9.791 540 HG12 VAL 68 2HG1 VAL 68 1.131 6.505 10.548 541 HG13 VAL 68 3HG1 VAL 68 2.555 6.996 9.636 542 HG21 VAL 68 3HG2 VAL 68 2.584 6.690 7.153 543 HG22 VAL 68 1HG2 VAL 68 1.150 6.082 6.329 544 HG23 VAL 68 2HG2 VAL 68 2.120 4.999 7.330 545 H ASP 69 H ASP 69 -1.721 7.488 9.100 546 HA ASP 69 HA ASP 69 -1.807 7.258 11.914 547 HB2 ASP 69 2HB ASP 69 -2.160 9.389 10.789 548 HB3 ASP 69 3HB ASP 69 -3.616 8.772 10.015 549 H ALA 70 H ALA 70 -4.209 6.428 9.432 550 HA ALA 70 HA ALA 70 -6.252 5.692 11.209 551 HB1 ALA 70 3HB ALA 70 -5.818 4.734 8.390 552 HB2 ALA 70 1HB ALA 70 -6.635 6.227 8.857 553 HB3 ALA 70 2HB ALA 70 -7.330 4.667 9.297 554 H PHE 71 H PHE 71 -3.611 3.796 9.801 555 HA PHE 71 HA PHE 71 -4.663 1.312 10.726 556 HB2 PHE 71 2HB PHE 71 -1.963 2.093 9.656 557 HB3 PHE 71 3HB PHE 71 -2.315 0.459 10.216 558 HD1 PHE 71 HD1 PHE 71 -5.031 0.021 9.303 559 HD2 PHE 71 HD2 PHE 71 -1.794 1.965 7.343 560 HE1 PHE 71 HE1 PHE 71 -6.031 -0.521 7.127 561 HE2 PHE 71 HE2 PHE 71 -2.795 1.429 5.159 562 HZ PHE 71 HZ PHE 71 -4.918 0.185 5.053 563 H LYS 72 H LYS 72 -2.649 3.775 12.162 564 HA LYS 72 HA LYS 72 -1.809 2.249 14.413 565 HB2 LYS 72 2HB LYS 72 -2.454 5.205 14.386 566 HB3 LYS 72 3HB LYS 72 -1.397 4.362 15.508 567 HG2 LYS 72 2HG LYS 72 -0.922 4.806 12.575 568 HG3 LYS 72 3HG LYS 72 -0.088 5.588 13.920 569 HD2 LYS 72 2HD LYS 72 0.960 3.569 14.562 570 HD3 LYS 72 3HD LYS 72 -0.078 2.613 13.501 571 HE2 LYS 72 2HE LYS 72 2.251 2.995 12.659 572 HE3 LYS 72 3HE LYS 72 0.962 3.485 11.557 573 HZ1 LYS 72 3HZ LYS 72 2.330 5.369 13.403 574 HZ2 LYS 72 1HZ LYS 72 1.304 5.741 12.108 575 HZ3 LYS 72 2HZ LYS 72 2.838 5.099 11.804 576 H GLY 73 H GLY 73 -4.737 3.917 13.540 577 HA2 GLY 73 2HA GLY 73 -5.923 3.286 16.158 578 HA3 GLY 73 3HA GLY 73 -6.607 4.373 14.960 579 H ASN 74 H ASN 74 -5.378 1.243 14.037 580 HA ASN 74 HA ASN 74 -8.056 0.095 14.026 581 HB2 ASN 74 2HB ASN 74 -7.966 1.298 11.908 582 HB3 ASN 74 3HB ASN 74 -6.461 0.484 11.489 583 HD21 ASN 74 1HD2 ASN 74 -9.900 0.097 11.946 584 HD22 ASN 74 2HD2 ASN 74 -10.033 -1.399 11.082 585 H LEU 75 H LEU 75 -4.890 -0.601 12.502 586 HA LEU 75 HA LEU 75 -5.302 -3.401 13.161 587 HB2 LEU 75 2HB LEU 75 -4.565 -2.746 10.896 588 HB3 LEU 75 3HB LEU 75 -3.089 -2.090 11.577 589 HG LEU 75 HG LEU 75 -2.255 -4.240 12.123 590 HD11 LEU 75 1HD1 LEU 75 -4.980 -5.338 11.442 591 HD12 LEU 75 2HD1 LEU 75 -4.290 -5.188 13.060 592 HD13 LEU 75 3HD1 LEU 75 -3.561 -6.287 11.889 593 HD21 LEU 75 3HD2 LEU 75 -2.089 -3.699 9.759 594 HD22 LEU 75 1HD2 LEU 75 -3.671 -4.422 9.468 595 HD23 LEU 75 2HD2 LEU 75 -2.322 -5.433 9.983 596 H GLU 76 H GLU 76 -3.615 -0.710 14.388 597 HA GLU 76 HA GLU 76 -1.539 -2.091 15.746 598 HB2 GLU 76 2HB GLU 76 -1.221 0.226 15.459 599 HB3 GLU 76 3HB GLU 76 -2.818 0.611 16.082 600 HG2 GLU 76 2HG GLU 76 -1.004 1.231 17.617 601 HG3 GLU 76 3HG GLU 76 -2.134 0.076 18.319 602 H HIS 77 H HIS 77 -2.119 -3.759 16.955 603 HA HIS 77 HA HIS 77 -3.656 -3.190 19.384 604 HB2 HIS 77 2HB HIS 77 -4.016 -5.632 17.620 605 HB3 HIS 77 3HB HIS 77 -4.604 -5.524 19.273 606 HD1 HIS 77 HD1 HIS 77 -6.582 -3.842 19.709 607 HD2 HIS 77 HD2 HIS 77 -5.627 -4.463 15.710 608 HE1 HIS 77 HE1 HIS 77 -8.551 -2.981 18.403 609 HE2 HIS 77 HE2 HIS 77 -7.875 -3.215 15.986 610 H HIS 78 H HIS 78 -2.307 -3.593 21.055 611 HA HIS 78 HA HIS 78 0.106 -5.114 20.540 612 HB2 HIS 78 2HB HIS 78 -0.030 -2.924 21.883 613 HB3 HIS 78 3HB HIS 78 -0.665 -3.910 23.193 614 HD1 HIS 78 HD1 HIS 78 2.442 -2.770 21.705 615 HD2 HIS 78 HD2 HIS 78 1.233 -6.003 24.023 616 HE1 HIS 78 HE1 HIS 78 4.556 -3.748 22.664 617 HE2 HIS 78 HE2 HIS 78 3.810 -5.828 23.877 618 H HIS 79 H HIS 79 -1.933 -5.177 23.444 619 HA HIS 79 HA HIS 79 -2.634 -7.931 23.195 620 HB2 HIS 79 2HB HIS 79 -0.231 -7.201 24.787 621 HB3 HIS 79 3HB HIS 79 -1.358 -8.320 25.539 622 HD1 HIS 79 HD1 HIS 79 1.512 -9.166 24.764 623 HD2 HIS 79 HD2 HIS 79 -1.855 -9.763 22.391 624 HE1 HIS 79 HE1 HIS 79 2.093 -11.067 23.221 625 HE2 HIS 79 HE2 HIS 79 0.144 -11.215 21.630 626 H HIS 80 H HIS 80 -4.181 -8.529 24.707 627 HA HIS 80 HA HIS 80 -4.642 -6.699 26.953 628 HB2 HIS 80 2HB HIS 80 -6.796 -7.838 25.150 629 HB3 HIS 80 3HB HIS 80 -7.106 -7.022 26.678 630 HD1 HIS 80 HD1 HIS 80 -6.417 -4.432 26.765 631 HD2 HIS 80 HD2 HIS 80 -6.508 -6.174 22.985 632 HE1 HIS 80 HE1 HIS 80 -6.434 -2.519 25.129 633 HE2 HIS 80 HE2 HIS 80 -6.421 -3.591 22.850 634 H HIS 81 H HIS 81 -3.446 -8.260 28.119 635 HA HIS 81 HA HIS 81 -4.242 -11.023 28.128 636 HB2 HIS 81 2HB HIS 81 -1.873 -10.220 28.410 637 HB3 HIS 81 3HB HIS 81 -2.325 -9.613 29.997 638 HD1 HIS 81 HD1 HIS 81 -3.059 -11.504 31.781 639 HD2 HIS 81 HD2 HIS 81 -1.169 -12.846 28.327 640 HE1 HIS 81 HE1 HIS 81 -2.247 -13.823 32.309 641 HE2 HIS 81 HE2 HIS 81 -0.958 -14.543 30.263 642 H HIS 82 H HIS 82 -5.632 -11.990 29.472 643 HA HIS 82 HA HIS 82 -6.796 -10.476 31.659 644 HB2 HIS 82 2HB HIS 82 -7.360 -13.244 30.575 645 HB3 HIS 82 3HB HIS 82 -8.185 -12.564 31.972 646 HD1 HIS 82 HD1 HIS 82 -7.969 -12.308 28.248 647 HD2 HIS 82 HD2 HIS 82 -10.114 -10.631 31.392 648 HE1 HIS 82 HE1 HIS 82 -9.884 -11.075 27.179 649 HE2 HIS 82 HE2 HIS 82 -11.076 -9.937 29.090 650 H1 MET 1 1H MET 1 -19.201 -5.437 -21.850 651 H2 MET 1 2H MET 1 -20.336 -4.834 -20.744 652 H3 MET 1 3H MET 1 -20.800 -5.990 -21.897 653 HA MET 1 HA MET 1 -18.824 -6.445 -19.747 654 HB2 MET 1 2HB MET 1 -21.749 -7.137 -19.950 655 HB3 MET 1 3HB MET 1 -20.652 -8.021 -18.898 656 HG2 MET 1 2HG MET 1 -20.134 -5.975 -17.697 657 HG3 MET 1 3HG MET 1 -21.206 -5.067 -18.762 658 HE1 MET 1 3HE MET 1 -22.403 -4.116 -16.529 659 HE2 MET 1 1HE MET 1 -21.325 -5.100 -15.540 660 HE3 MET 1 2HE MET 1 -23.070 -5.161 -15.275 661 H LYS 2 H LYS 2 -17.413 -7.862 -20.461 662 HA LYS 2 HA LYS 2 -18.401 -10.165 -22.019 663 HB2 LYS 2 2HB LYS 2 -16.934 -8.484 -23.291 664 HB3 LYS 2 3HB LYS 2 -15.618 -9.015 -22.254 665 HG2 LYS 2 2HG LYS 2 -15.923 -11.308 -23.073 666 HG3 LYS 2 3HG LYS 2 -17.203 -10.735 -24.145 667 HD2 LYS 2 2HD LYS 2 -15.460 -9.113 -25.069 668 HD3 LYS 2 3HD LYS 2 -14.265 -10.102 -24.226 669 HE2 LYS 2 2HE LYS 2 -16.195 -11.035 -26.351 670 HE3 LYS 2 3HE LYS 2 -14.461 -10.796 -26.547 671 HZ1 LYS 2 3HZ LYS 2 -15.723 -12.778 -24.726 672 HZ2 LYS 2 1HZ LYS 2 -14.058 -12.570 -24.973 673 HZ3 LYS 2 2HZ LYS 2 -15.037 -13.124 -26.237 674 H LYS 3 H LYS 3 -18.429 -11.778 -20.563 675 HA LYS 3 HA LYS 3 -16.376 -11.751 -18.468 676 HB2 LYS 3 2HB LYS 3 -17.978 -13.256 -17.228 677 HB3 LYS 3 3HB LYS 3 -18.524 -11.606 -17.489 678 HG2 LYS 3 2HG LYS 3 -19.867 -12.402 -19.415 679 HG3 LYS 3 3HG LYS 3 -19.385 -14.054 -19.017 680 HD2 LYS 3 2HD LYS 3 -20.810 -12.207 -17.105 681 HD3 LYS 3 3HD LYS 3 -21.630 -13.378 -18.140 682 HE2 LYS 3 2HE LYS 3 -19.512 -14.064 -16.102 683 HE3 LYS 3 3HE LYS 3 -21.250 -14.187 -15.824 684 HZ1 LYS 3 3HZ LYS 3 -20.480 -16.323 -16.420 685 HZ2 LYS 3 1HZ LYS 3 -19.616 -15.738 -17.757 686 HZ3 LYS 3 2HZ LYS 3 -21.311 -15.727 -17.773 687 H MET 4 H MET 4 -14.758 -13.066 -18.758 688 HA MET 4 HA MET 4 -15.016 -15.533 -20.245 689 HB2 MET 4 2HB MET 4 -12.677 -14.394 -18.695 690 HB3 MET 4 3HB MET 4 -12.615 -15.839 -19.692 691 HG2 MET 4 2HG MET 4 -11.688 -14.160 -21.015 692 HG3 MET 4 3HG MET 4 -13.333 -14.348 -21.621 693 HE1 MET 4 3HE MET 4 -12.760 -10.532 -22.127 694 HE2 MET 4 1HE MET 4 -13.269 -12.045 -22.876 695 HE3 MET 4 2HE MET 4 -11.594 -11.836 -22.364 696 H ALA 5 H ALA 5 -13.470 -17.315 -18.849 697 HA ALA 5 HA ALA 5 -15.292 -18.061 -16.733 698 HB1 ALA 5 3HB ALA 5 -14.011 -20.135 -16.615 699 HB2 ALA 5 1HB ALA 5 -12.837 -19.478 -17.753 700 HB3 ALA 5 2HB ALA 5 -14.497 -19.771 -18.271 701 H GLU 6 H GLU 6 -14.698 -16.126 -15.488 702 HA GLU 6 HA GLU 6 -12.494 -16.782 -13.654 703 HB2 GLU 6 2HB GLU 6 -13.384 -14.043 -14.572 704 HB3 GLU 6 3HB GLU 6 -12.328 -14.305 -13.193 705 HG2 GLU 6 2HG GLU 6 -10.762 -15.487 -14.780 706 HG3 GLU 6 3HG GLU 6 -11.773 -14.870 -16.088 707 H PHE 7 H PHE 7 -12.992 -15.182 -11.579 708 HA PHE 7 HA PHE 7 -15.786 -15.766 -10.875 709 HB2 PHE 7 2HB PHE 7 -13.323 -16.117 -9.163 710 HB3 PHE 7 3HB PHE 7 -14.975 -16.235 -8.560 711 HD1 PHE 7 HD2 PHE 7 -16.497 -17.975 -9.632 712 HD2 PHE 7 HD1 PHE 7 -12.274 -17.981 -10.083 713 HE1 PHE 7 HE2 PHE 7 -16.576 -20.348 -10.281 714 HE2 PHE 7 HE1 PHE 7 -12.338 -20.352 -10.737 715 HZ PHE 7 HZ PHE 7 -14.494 -21.537 -10.835 716 H THR 8 H THR 8 -16.353 -14.531 -8.730 717 HA THR 8 HA THR 8 -15.845 -11.746 -9.468 718 HB THR 8 HB THR 8 -18.200 -12.557 -9.434 719 HG1 THR 8 HG1 THR 8 -18.895 -10.654 -8.661 720 HG21 THR 8 3HG2 THR 8 -19.319 -12.908 -7.284 721 HG22 THR 8 1HG2 THR 8 -17.772 -12.745 -6.448 722 HG23 THR 8 2HG2 THR 8 -18.046 -14.102 -7.541 723 H PHE 9 H PHE 9 -15.748 -10.142 -7.718 724 HA PHE 9 HA PHE 9 -14.357 -11.217 -5.362 725 HB2 PHE 9 2HB PHE 9 -13.036 -9.130 -5.310 726 HB3 PHE 9 3HB PHE 9 -12.783 -10.030 -6.800 727 HD1 PHE 9 HD1 PHE 9 -13.832 -9.235 -8.910 728 HD2 PHE 9 HD2 PHE 9 -13.918 -6.929 -5.331 729 HE1 PHE 9 HE1 PHE 9 -14.378 -7.224 -10.219 730 HE2 PHE 9 HE2 PHE 9 -14.464 -4.918 -6.634 731 HZ PHE 9 HZ PHE 9 -14.697 -5.063 -9.081 732 H GLU 10 H GLU 10 -14.948 -10.451 -3.371 733 HA GLU 10 HA GLU 10 -17.174 -8.519 -3.363 734 HB2 GLU 10 2HB GLU 10 -17.812 -10.884 -2.794 735 HB3 GLU 10 3HB GLU 10 -16.764 -10.765 -1.387 736 HG2 GLU 10 2HG GLU 10 -18.980 -10.362 -0.657 737 HG3 GLU 10 3HG GLU 10 -18.130 -8.818 -0.634 738 H ILE 11 H ILE 11 -16.564 -6.659 -2.517 739 HA ILE 11 HA ILE 11 -14.406 -6.490 -0.589 740 HB ILE 11 HB ILE 11 -16.277 -4.275 -1.455 741 HG12 ILE 11 2HG1 ILE 11 -13.614 -5.068 -2.656 742 HG13 ILE 11 3HG1 ILE 11 -15.180 -5.320 -3.414 743 HG21 ILE 11 1HG2 ILE 11 -14.381 -2.826 -0.806 744 HG22 ILE 11 2HG2 ILE 11 -13.517 -4.254 -0.233 745 HG23 ILE 11 3HG2 ILE 11 -15.024 -3.764 0.544 746 HD11 ILE 11 3HD1 ILE 11 -15.522 -2.904 -3.497 747 HD12 ILE 11 1HD1 ILE 11 -14.058 -3.389 -4.350 748 HD13 ILE 11 2HD1 ILE 11 -13.945 -2.658 -2.748 749 H GLU 12 H GLU 12 -15.082 -7.493 1.287 750 HA GLU 12 HA GLU 12 -17.761 -6.988 2.251 751 HB2 GLU 12 2HB GLU 12 -17.048 -8.636 4.085 752 HB3 GLU 12 3HB GLU 12 -17.254 -9.235 2.450 753 HG2 GLU 12 2HG GLU 12 -15.319 -10.268 3.175 754 HG3 GLU 12 3HG GLU 12 -14.726 -8.919 2.220 755 H GLU 13 H GLU 13 -14.518 -6.011 3.040 756 HA GLU 13 HA GLU 13 -15.680 -4.165 5.006 757 HB2 GLU 13 2HB GLU 13 -13.370 -6.016 5.371 758 HB3 GLU 13 3HB GLU 13 -13.285 -4.428 6.120 759 HG2 GLU 13 2HG GLU 13 -15.551 -6.362 6.529 760 HG3 GLU 13 3HG GLU 13 -14.150 -6.234 7.593 761 H HIS 14 H HIS 14 -14.856 -2.118 5.020 762 HA HIS 14 HA HIS 14 -12.698 -1.570 3.097 763 HB2 HIS 14 2HB HIS 14 -13.665 0.702 2.794 764 HB3 HIS 14 3HB HIS 14 -14.743 -0.572 2.247 765 HD1 HIS 14 HD1 HIS 14 -14.482 2.236 4.650 766 HD2 HIS 14 HD2 HIS 14 -17.064 -0.934 3.865 767 HE1 HIS 14 HE1 HIS 14 -16.586 2.735 5.935 768 HE2 HIS 14 HE2 HIS 14 -18.040 0.698 5.621 769 H LEU 15 H LEU 15 -10.882 -1.041 4.088 770 HA LEU 15 HA LEU 15 -10.821 -0.623 6.895 771 HB2 LEU 15 2HB LEU 15 -8.576 -0.087 4.958 772 HB3 LEU 15 3HB LEU 15 -8.446 -0.458 6.665 773 HG LEU 15 HG LEU 15 -9.288 -2.351 4.472 774 HD11 LEU 15 1HD1 LEU 15 -6.897 -2.372 6.297 775 HD12 LEU 15 2HD1 LEU 15 -6.888 -1.850 4.614 776 HD13 LEU 15 3HD1 LEU 15 -7.256 -3.526 5.013 777 HD21 LEU 15 3HD2 LEU 15 -9.070 -2.871 7.436 778 HD22 LEU 15 1HD2 LEU 15 -9.405 -4.075 6.184 779 HD23 LEU 15 2HD2 LEU 15 -10.571 -2.791 6.512 780 H LEU 16 H LEU 16 -9.798 1.502 4.212 781 HA LEU 16 HA LEU 16 -11.247 3.715 5.254 782 HB2 LEU 16 2HB LEU 16 -9.434 5.191 5.831 783 HB3 LEU 16 3HB LEU 16 -9.346 3.750 6.826 784 HG LEU 16 HG LEU 16 -7.699 3.814 4.346 785 HD11 LEU 16 1HD1 LEU 16 -7.339 6.035 5.283 786 HD12 LEU 16 2HD1 LEU 16 -5.914 5.018 5.514 787 HD13 LEU 16 3HD1 LEU 16 -7.005 5.326 6.864 788 HD21 LEU 16 3HD2 LEU 16 -7.767 1.844 5.821 789 HD22 LEU 16 1HD2 LEU 16 -7.174 2.838 7.152 790 HD23 LEU 16 2HD2 LEU 16 -6.159 2.563 5.736 791 H THR 17 H THR 17 -11.610 5.183 3.693 792 HA THR 17 HA THR 17 -10.332 4.920 1.124 793 HB THR 17 HB THR 17 -12.139 7.155 2.085 794 HG1 THR 17 HG1 THR 17 -12.927 4.780 0.693 795 HG21 THR 17 3HG2 THR 17 -10.964 7.640 0.006 796 HG22 THR 17 1HG2 THR 17 -12.677 7.370 -0.312 797 HG23 THR 17 2HG2 THR 17 -11.503 6.107 -0.676 798 H LEU 18 H LEU 18 -8.512 5.972 0.515 799 HA LEU 18 HA LEU 18 -7.081 7.360 2.587 800 HB2 LEU 18 2HB LEU 18 -6.275 6.766 -0.257 801 HB3 LEU 18 3HB LEU 18 -5.210 7.355 1.004 802 HG LEU 18 HG LEU 18 -6.625 4.691 1.069 803 HD11 LEU 18 1HD1 LEU 18 -3.732 5.297 0.495 804 HD12 LEU 18 2HD1 LEU 18 -4.928 4.844 -0.718 805 HD13 LEU 18 3HD1 LEU 18 -4.487 3.706 0.556 806 HD21 LEU 18 3HD2 LEU 18 -5.095 4.220 2.919 807 HD22 LEU 18 1HD2 LEU 18 -6.159 5.581 3.281 808 HD23 LEU 18 2HD2 LEU 18 -4.478 5.870 2.825 809 H SER 19 H SER 19 -7.472 8.221 -0.842 810 HA SER 19 HA SER 19 -8.261 10.908 -0.189 811 HB2 SER 19 2HB SER 19 -5.816 11.003 0.209 812 HB3 SER 19 3HB SER 19 -5.535 10.417 -1.427 813 HG SER 19 HG SER 19 -5.377 12.570 -1.611 814 H GLU 20 H GLU 20 -8.708 12.167 -2.108 815 HA GLU 20 HA GLU 20 -9.142 10.496 -4.493 816 HB2 GLU 20 2HB GLU 20 -11.178 11.341 -3.311 817 HB3 GLU 20 3HB GLU 20 -10.636 12.979 -3.641 818 HG2 GLU 20 2HG GLU 20 -10.916 12.683 -5.984 819 HG3 GLU 20 3HG GLU 20 -11.201 10.951 -5.785 820 H ASN 21 H ASN 21 -7.701 10.918 -6.016 821 HA ASN 21 HA ASN 21 -6.232 13.428 -5.924 822 HB2 ASN 21 2HB ASN 21 -5.751 10.959 -7.604 823 HB3 ASN 21 3HB ASN 21 -4.668 12.340 -7.465 824 HD21 ASN 21 1HD2 ASN 21 -3.534 12.668 -5.521 825 HD22 ASN 21 2HD2 ASN 21 -3.319 11.385 -4.377 826 H GLU 22 H GLU 22 -5.461 14.089 -8.270 827 HA GLU 22 HA GLU 22 -7.527 15.548 -9.353 828 HB2 GLU 22 2HB GLU 22 -5.082 14.641 -10.885 829 HB3 GLU 22 3HB GLU 22 -6.076 16.048 -11.230 830 HG2 GLU 22 2HG GLU 22 -4.328 17.039 -10.161 831 HG3 GLU 22 3HG GLU 22 -5.392 16.732 -8.789 832 H LYS 23 H LYS 23 -8.804 15.447 -11.144 833 HA LYS 23 HA LYS 23 -10.009 14.613 -12.872 834 HB2 LYS 23 2HB LYS 23 -8.053 12.314 -12.793 835 HB3 LYS 23 3HB LYS 23 -9.365 12.444 -13.954 836 HG2 LYS 23 2HG LYS 23 -7.150 14.459 -13.649 837 HG3 LYS 23 3HG LYS 23 -7.175 13.159 -14.840 838 HD2 LYS 23 2HD LYS 23 -9.309 14.092 -15.722 839 HD3 LYS 23 3HD LYS 23 -9.125 15.448 -14.608 840 HE2 LYS 23 2HE LYS 23 -8.331 16.029 -16.841 841 HE3 LYS 23 3HE LYS 23 -7.010 16.044 -15.675 842 HZ1 LYS 23 3HZ LYS 23 -7.605 13.792 -17.523 843 HZ2 LYS 23 1HZ LYS 23 -6.279 13.909 -16.469 844 HZ3 LYS 23 2HZ LYS 23 -6.413 14.968 -17.785 845 H GLY 24 H GLY 24 -9.719 13.284 -9.862 846 HA2 GLY 24 2HA GLY 24 -11.561 12.452 -8.644 847 HA3 GLY 24 3HA GLY 24 -12.297 11.934 -10.155 848 H TRP 25 H TRP 25 -8.951 11.255 -9.531 849 HA TRP 25 HA TRP 25 -9.524 8.415 -9.629 850 HB2 TRP 25 2HB TRP 25 -6.983 10.030 -9.637 851 HB3 TRP 25 3HB TRP 25 -6.950 8.285 -9.407 852 HD1 TRP 25 HD1 TRP 25 -7.948 10.905 -12.059 853 HE1 TRP 25 HE1 TRP 25 -7.875 9.776 -14.379 854 HE3 TRP 25 HE3 TRP 25 -7.015 6.109 -10.576 855 HZ2 TRP 25 HZ2 TRP 25 -7.468 7.181 -15.424 856 HZ3 TRP 25 HZ3 TRP 25 -6.795 4.363 -12.293 857 HH2 TRP 25 HH2 TRP 25 -7.017 4.888 -14.667 858 H THR 26 H THR 26 -10.200 7.499 -7.816 859 HA THR 26 HA THR 26 -9.473 8.647 -5.254 860 HB THR 26 HB THR 26 -11.247 6.256 -5.755 861 HG1 THR 26 HG1 THR 26 -11.620 8.832 -6.481 862 HG21 THR 26 3HG2 THR 26 -12.284 6.938 -3.639 863 HG22 THR 26 1HG2 THR 26 -11.142 8.277 -3.509 864 HG23 THR 26 2HG2 THR 26 -10.563 6.614 -3.429 865 H LYS 27 H LYS 27 -8.173 7.713 -3.747 866 HA LYS 27 HA LYS 27 -6.980 5.097 -4.411 867 HB2 LYS 27 2HB LYS 27 -5.669 7.447 -4.033 868 HB3 LYS 27 3HB LYS 27 -5.698 6.840 -2.384 869 HG2 LYS 27 2HG LYS 27 -3.666 6.109 -3.299 870 HG3 LYS 27 3HG LYS 27 -4.718 4.694 -3.297 871 HD2 LYS 27 2HD LYS 27 -3.499 4.841 -5.391 872 HD3 LYS 27 3HD LYS 27 -5.225 5.080 -5.667 873 HE2 LYS 27 2HE LYS 27 -4.026 6.680 -6.980 874 HE3 LYS 27 3HE LYS 27 -4.819 7.535 -5.660 875 HZ1 LYS 27 3HZ LYS 27 -2.765 7.746 -4.510 876 HZ2 LYS 27 1HZ LYS 27 -2.486 8.227 -6.113 877 HZ3 LYS 27 2HZ LYS 27 -1.971 6.702 -5.583 878 H GLU 28 H GLU 28 -7.528 3.455 -3.048 879 HA GLU 28 HA GLU 28 -8.434 4.127 -0.347 880 HB2 GLU 28 2HB GLU 28 -10.434 4.203 -1.774 881 HB3 GLU 28 3HB GLU 28 -10.109 2.563 -2.318 882 HG2 GLU 28 2HG GLU 28 -10.433 1.738 -0.045 883 HG3 GLU 28 3HG GLU 28 -10.740 3.385 0.510 884 H ILE 29 H ILE 29 -8.255 2.480 1.146 885 HA ILE 29 HA ILE 29 -7.063 -0.037 0.175 886 HB ILE 29 HB ILE 29 -6.776 1.175 2.933 887 HG12 ILE 29 2HG1 ILE 29 -4.767 1.004 0.676 888 HG13 ILE 29 3HG1 ILE 29 -5.559 2.476 1.228 889 HG21 ILE 29 1HG2 ILE 29 -6.695 -1.273 2.886 890 HG22 ILE 29 2HG2 ILE 29 -5.124 -0.581 3.292 891 HG23 ILE 29 3HG2 ILE 29 -5.419 -1.206 1.670 892 HD11 ILE 29 3HD1 ILE 29 -3.701 0.770 2.872 893 HD12 ILE 29 1HD1 ILE 29 -4.459 2.278 3.384 894 HD13 ILE 29 2HD1 ILE 29 -3.279 2.285 2.073 895 H ASN 30 H ASN 30 -8.475 -1.649 0.231 896 HA ASN 30 HA ASN 30 -10.377 -1.779 2.457 897 HB2 ASN 30 2HB ASN 30 -12.146 -2.524 0.810 898 HB3 ASN 30 3HB ASN 30 -11.706 -0.825 0.722 899 HD21 ASN 30 1HD2 ASN 30 -12.198 -0.407 -1.344 900 HD22 ASN 30 2HD2 ASN 30 -11.457 -1.190 -2.699 901 H ARG 31 H ARG 31 -11.599 -4.037 2.227 902 HA ARG 31 HA ARG 31 -9.459 -6.018 1.813 903 HB2 ARG 31 2HB ARG 31 -10.256 -5.472 4.210 904 HB3 ARG 31 3HB ARG 31 -11.719 -6.345 3.772 905 HG2 ARG 31 2HG ARG 31 -10.459 -8.346 3.350 906 HG3 ARG 31 3HG ARG 31 -8.945 -7.486 3.623 907 HD2 ARG 31 2HD ARG 31 -9.502 -8.773 5.578 908 HD3 ARG 31 3HD ARG 31 -9.635 -7.055 5.943 909 HE ARG 31 HE ARG 31 -12.156 -8.084 5.148 910 HH11 ARG 31 1HH1 ARG 31 -9.889 -8.047 7.815 911 HH12 ARG 31 2HH1 ARG 31 -11.086 -8.381 9.024 912 HH21 ARG 31 1HH2 ARG 31 -13.738 -8.529 6.709 913 HH22 ARG 31 2HH2 ARG 31 -13.298 -8.622 8.395 914 H VAL 32 H VAL 32 -9.872 -7.530 0.340 915 HA VAL 32 HA VAL 32 -12.662 -7.821 -0.572 916 HB VAL 32 HB VAL 32 -10.256 -7.866 -2.393 917 HG11 VAL 32 1HG1 VAL 32 -13.211 -7.660 -2.948 918 HG12 VAL 32 2HG1 VAL 32 -12.187 -9.069 -3.231 919 HG13 VAL 32 3HG1 VAL 32 -11.935 -7.592 -4.162 920 HG21 VAL 32 3HG2 VAL 32 -10.993 -5.611 -3.137 921 HG22 VAL 32 1HG2 VAL 32 -10.385 -5.644 -1.482 922 HG23 VAL 32 2HG2 VAL 32 -12.119 -5.577 -1.780 923 H SER 33 H SER 33 -13.385 -9.832 -0.819 924 HA SER 33 HA SER 33 -11.482 -12.061 -0.672 925 HB2 SER 33 2HB SER 33 -13.416 -12.054 0.909 926 HB3 SER 33 3HB SER 33 -14.514 -12.092 -0.470 927 HG SER 33 HG SER 33 -12.665 -14.090 0.353 928 H PHE 34 H PHE 34 -10.774 -12.734 -2.587 929 HA PHE 34 HA PHE 34 -12.368 -12.285 -4.993 930 HB2 PHE 34 2HB PHE 34 -9.544 -13.358 -4.725 931 HB3 PHE 34 3HB PHE 34 -10.337 -12.873 -6.219 932 HD1 PHE 34 HD1 PHE 34 -10.690 -10.518 -6.738 933 HD2 PHE 34 HD2 PHE 34 -8.663 -11.724 -3.190 934 HE1 PHE 34 HE1 PHE 34 -9.833 -8.230 -6.452 935 HE2 PHE 34 HE2 PHE 34 -7.798 -9.437 -2.906 936 HZ PHE 34 HZ PHE 34 -8.384 -7.688 -4.537 937 H ASN 35 H ASN 35 -13.762 -13.816 -5.552 938 HA ASN 35 HA ASN 35 -14.725 -15.822 -5.978 939 HB2 ASN 35 2HB ASN 35 -12.666 -16.476 -7.117 940 HB3 ASN 35 3HB ASN 35 -11.940 -16.938 -5.582 941 HD21 ASN 35 1HD2 ASN 35 -15.257 -17.560 -6.611 942 HD22 ASN 35 2HD2 ASN 35 -15.110 -19.288 -6.644 943 H GLY 36 H GLY 36 -12.304 -16.327 -3.437 944 HA2 GLY 36 2HA GLY 36 -14.234 -16.660 -1.377 945 HA3 GLY 36 3HA GLY 36 -13.606 -18.217 -1.913 946 H ALA 37 H ALA 37 -12.735 -18.384 0.269 947 HA ALA 37 HA ALA 37 -10.902 -18.539 1.603 948 HB1 ALA 37 3HB ALA 37 -9.606 -18.761 -0.468 949 HB2 ALA 37 1HB ALA 37 -8.709 -17.880 0.770 950 HB3 ALA 37 2HB ALA 37 -9.461 -17.006 -0.566 951 HA PRO 38 HA PRO 38 -10.662 -15.039 4.309 952 HB2 PRO 38 2HB PRO 38 -7.693 -15.057 3.966 953 HB3 PRO 38 3HB PRO 38 -8.658 -15.016 5.448 954 HG2 PRO 38 2HG PRO 38 -7.489 -17.273 4.652 955 HG3 PRO 38 3HG PRO 38 -9.102 -17.284 5.387 956 HD2 PRO 38 2HD PRO 38 -8.314 -17.650 2.542 957 HD3 PRO 38 3HD PRO 38 -9.674 -18.350 3.440 958 H ALA 39 H ALA 39 -11.183 -13.049 3.757 959 HA ALA 39 HA ALA 39 -10.492 -11.809 1.343 960 HB1 ALA 39 3HB ALA 39 -11.504 -10.523 3.880 961 HB2 ALA 39 1HB ALA 39 -12.505 -11.240 2.616 962 HB3 ALA 39 2HB ALA 39 -11.533 -9.809 2.267 963 H LYS 40 H LYS 40 -8.757 -10.683 0.737 964 HA LYS 40 HA LYS 40 -6.721 -10.170 2.783 965 HB2 LYS 40 2HB LYS 40 -6.474 -10.513 -0.208 966 HB3 LYS 40 3HB LYS 40 -5.136 -10.075 0.849 967 HG2 LYS 40 2HG LYS 40 -5.401 -12.167 2.069 968 HG3 LYS 40 3HG LYS 40 -6.761 -12.605 1.034 969 HD2 LYS 40 2HD LYS 40 -5.294 -12.625 -0.909 970 HD3 LYS 40 3HD LYS 40 -3.931 -12.126 0.096 971 HE2 LYS 40 2HE LYS 40 -3.868 -14.524 -0.318 972 HE3 LYS 40 3HE LYS 40 -4.128 -14.186 1.394 973 HZ1 LYS 40 3HZ LYS 40 -5.581 -15.948 0.670 974 HZ2 LYS 40 1HZ LYS 40 -6.208 -14.988 -0.581 975 HZ3 LYS 40 2HZ LYS 40 -6.510 -14.581 1.035 976 H PHE 41 H PHE 41 -5.229 -8.269 2.147 977 HA PHE 41 HA PHE 41 -7.017 -5.976 2.079 978 HB2 PHE 41 2HB PHE 41 -4.053 -6.034 2.665 979 HB3 PHE 41 3HB PHE 41 -5.186 -4.738 3.039 980 HD1 PHE 41 HD2 PHE 41 -7.066 -5.259 4.692 981 HD2 PHE 41 HD1 PHE 41 -3.623 -7.714 4.220 982 HE1 PHE 41 HE2 PHE 41 -7.483 -6.260 6.901 983 HE2 PHE 41 HE1 PHE 41 -4.034 -8.720 6.424 984 HZ PHE 41 HZ PHE 41 -5.961 -7.994 7.770 985 H ASP 42 H ASP 42 -7.249 -4.743 0.347 986 HA ASP 42 HA ASP 42 -5.257 -4.995 -1.811 987 HB2 ASP 42 2HB ASP 42 -7.516 -6.032 -2.236 988 HB3 ASP 42 3HB ASP 42 -8.205 -4.416 -2.134 989 H ILE 43 H ILE 43 -4.163 -3.190 -2.123 990 HA ILE 43 HA ILE 43 -5.441 -0.612 -1.511 991 HB ILE 43 HB ILE 43 -2.510 -1.161 -2.035 992 HG12 ILE 43 2HG1 ILE 43 -3.940 -0.722 0.596 993 HG13 ILE 43 3HG1 ILE 43 -3.293 -2.260 0.032 994 HG21 ILE 43 1HG2 ILE 43 -3.142 1.119 -2.560 995 HG22 ILE 43 2HG2 ILE 43 -2.183 1.089 -1.080 996 HG23 ILE 43 3HG2 ILE 43 -3.933 1.288 -0.992 997 HD11 ILE 43 3HD1 ILE 43 -1.820 -1.233 1.654 998 HD12 ILE 43 1HD1 ILE 43 -1.700 0.216 0.658 999 HD13 ILE 43 2HD1 ILE 43 -1.039 -1.312 0.074 1000 H ARG 44 H ARG 44 -6.466 0.155 -3.293 1001 HA ARG 44 HA ARG 44 -5.051 -0.023 -5.862 1002 HB2 ARG 44 2HB ARG 44 -7.085 -0.728 -7.004 1003 HB3 ARG 44 3HB ARG 44 -6.644 -1.890 -5.759 1004 HG2 ARG 44 2HG ARG 44 -8.330 -0.969 -4.274 1005 HG3 ARG 44 3HG ARG 44 -8.749 0.246 -5.484 1006 HD2 ARG 44 2HD ARG 44 -10.346 -1.579 -5.535 1007 HD3 ARG 44 3HD ARG 44 -9.412 -1.540 -7.030 1008 HE ARG 44 HE ARG 44 -8.155 -3.288 -5.216 1009 HH11 ARG 44 1HH1 ARG 44 -11.068 -3.066 -7.146 1010 HH12 ARG 44 2HH1 ARG 44 -11.221 -4.775 -7.359 1011 HH21 ARG 44 1HH2 ARG 44 -8.344 -5.550 -5.476 1012 HH22 ARG 44 2HH2 ARG 44 -9.667 -6.197 -6.401 1013 H ALA 45 H ALA 45 -6.234 1.255 -7.575 1014 HA ALA 45 HA ALA 45 -7.269 3.761 -6.424 1015 HB1 ALA 45 3HB ALA 45 -6.422 4.879 -8.431 1016 HB2 ALA 45 1HB ALA 45 -5.817 3.339 -9.039 1017 HB3 ALA 45 2HB ALA 45 -5.128 4.040 -7.576 1018 H TRP 46 H TRP 46 -9.047 4.730 -7.397 1019 HA TRP 46 HA TRP 46 -10.667 2.908 -9.044 1020 HB2 TRP 46 2HB TRP 46 -11.538 5.165 -7.223 1021 HB3 TRP 46 3HB TRP 46 -12.620 4.162 -8.181 1022 HD1 TRP 46 HD1 TRP 46 -10.760 4.239 -4.906 1023 HE1 TRP 46 HE1 TRP 46 -11.294 2.107 -3.563 1024 HE3 TRP 46 HE3 TRP 46 -13.152 1.559 -8.548 1025 HZ2 TRP 46 HZ2 TRP 46 -12.549 -0.370 -3.990 1026 HZ3 TRP 46 HZ3 TRP 46 -13.985 -0.689 -7.993 1027 HH2 TRP 46 HH2 TRP 46 -13.687 -1.630 -5.760 1028 H SER 47 H SER 47 -11.407 3.556 -10.972 1029 HA SER 47 HA SER 47 -10.315 6.039 -12.053 1030 HB2 SER 47 2HB SER 47 -11.765 3.830 -13.527 1031 HB3 SER 47 3HB SER 47 -10.703 5.061 -14.210 1032 HG SER 47 HG SER 47 -9.386 3.716 -12.306 1033 HA PRO 48 HA PRO 48 -14.352 7.984 -12.192 1034 HB2 PRO 48 2HB PRO 48 -13.476 9.583 -14.458 1035 HB3 PRO 48 3HB PRO 48 -13.741 10.087 -12.789 1036 HG2 PRO 48 2HG PRO 48 -11.277 9.980 -13.936 1037 HG3 PRO 48 3HG PRO 48 -11.552 9.740 -12.200 1038 HD2 PRO 48 2HD PRO 48 -11.109 7.703 -14.351 1039 HD3 PRO 48 3HD PRO 48 -10.458 7.758 -12.698 1040 H ASP 49 H ASP 49 -14.163 5.537 -13.524 1041 HA ASP 49 HA ASP 49 -16.040 5.863 -15.718 1042 HB2 ASP 49 2HB ASP 49 -13.346 4.513 -16.070 1043 HB3 ASP 49 3HB ASP 49 -14.703 4.267 -17.159 1044 H HIS 50 H HIS 50 -16.075 3.279 -16.611 1045 HA HIS 50 HA HIS 50 -17.056 1.799 -14.336 1046 HB2 HIS 50 2HB HIS 50 -18.012 1.854 -16.745 1047 HB3 HIS 50 3HB HIS 50 -16.722 0.724 -17.133 1048 HD1 HIS 50 HD1 HIS 50 -19.181 -0.551 -17.689 1049 HD2 HIS 50 HD2 HIS 50 -17.880 -0.309 -13.747 1050 HE1 HIS 50 HE1 HIS 50 -20.425 -2.355 -16.452 1051 HE2 HIS 50 HE2 HIS 50 -19.442 -2.340 -14.132 1052 H THR 51 H THR 51 -14.434 2.367 -13.969 1053 HA THR 51 HA THR 51 -12.479 1.473 -13.290 1054 HB THR 51 HB THR 51 -13.720 -1.210 -13.934 1055 HG1 THR 51 HG1 THR 51 -14.781 0.179 -12.289 1056 HG21 THR 51 3HG2 THR 51 -11.337 -0.497 -12.215 1057 HG22 THR 51 1HG2 THR 51 -11.275 -1.300 -13.781 1058 HG23 THR 51 2HG2 THR 51 -12.024 -2.110 -12.408 1059 H LYS 52 H LYS 52 -11.007 2.213 -14.718 1060 HA LYS 52 HA LYS 52 -10.600 1.001 -17.300 1061 HB2 LYS 52 2HB LYS 52 -8.757 2.799 -15.699 1062 HB3 LYS 52 3HB LYS 52 -8.547 2.368 -17.386 1063 HG2 LYS 52 2HG LYS 52 -10.581 3.578 -17.961 1064 HG3 LYS 52 3HG LYS 52 -10.821 3.985 -16.260 1065 HD2 LYS 52 2HD LYS 52 -8.634 5.142 -16.264 1066 HD3 LYS 52 3HD LYS 52 -8.487 4.799 -17.988 1067 HE2 LYS 52 2HE LYS 52 -10.719 6.398 -16.742 1068 HE3 LYS 52 3HE LYS 52 -9.287 7.095 -17.495 1069 HZ1 LYS 52 3HZ LYS 52 -11.235 5.341 -18.880 1070 HZ2 LYS 52 1HZ LYS 52 -9.910 6.119 -19.584 1071 HZ3 LYS 52 2HZ LYS 52 -11.213 7.026 -18.989 1072 H MET 53 H MET 53 -8.428 1.352 -14.548 1073 HA MET 53 HA MET 53 -8.056 -1.307 -13.889 1074 HB2 MET 53 2HB MET 53 -6.987 -1.513 -16.126 1075 HB3 MET 53 3HB MET 53 -5.850 -0.245 -15.679 1076 HG2 MET 53 2HG MET 53 -5.006 -1.636 -13.866 1077 HG3 MET 53 3HG MET 53 -6.138 -2.909 -14.318 1078 HE1 MET 53 3HE MET 53 -3.969 -0.526 -16.636 1079 HE2 MET 53 1HE MET 53 -2.545 -1.536 -16.867 1080 HE3 MET 53 2HE MET 53 -2.933 -0.913 -15.265 1081 H GLY 54 H GLY 54 -5.887 1.449 -14.488 1082 HA2 GLY 54 2HA GLY 54 -4.811 2.859 -13.026 1083 HA3 GLY 54 3HA GLY 54 -5.859 2.253 -11.752 1084 H LYS 55 H LYS 55 -4.484 1.776 -10.152 1085 HA LYS 55 HA LYS 55 -2.523 -0.328 -10.677 1086 HB2 LYS 55 2HB LYS 55 -1.993 2.204 -9.102 1087 HB3 LYS 55 3HB LYS 55 -0.962 0.779 -9.042 1088 HG2 LYS 55 2HG LYS 55 -0.566 0.997 -11.465 1089 HG3 LYS 55 3HG LYS 55 -1.533 2.474 -11.468 1090 HD2 LYS 55 2HD LYS 55 0.027 3.523 -9.924 1091 HD3 LYS 55 3HD LYS 55 0.976 2.037 -9.848 1092 HE2 LYS 55 2HE LYS 55 1.465 2.226 -12.240 1093 HE3 LYS 55 3HE LYS 55 0.508 3.704 -12.322 1094 HZ1 LYS 55 3HZ LYS 55 2.959 3.331 -10.686 1095 HZ2 LYS 55 1HZ LYS 55 2.044 4.755 -10.794 1096 HZ3 LYS 55 2HZ LYS 55 2.873 4.175 -12.155 1097 H GLY 56 H GLY 56 -1.921 -1.478 -8.670 1098 HA2 GLY 56 2HA GLY 56 -3.304 -1.209 -6.255 1099 HA3 GLY 56 3HA GLY 56 -4.243 -2.275 -7.291 1100 H ILE 57 H ILE 57 -2.840 -2.845 -4.777 1101 HA ILE 57 HA ILE 57 -1.369 -5.178 -5.731 1102 HB ILE 57 HB ILE 57 0.385 -3.506 -5.371 1103 HG12 ILE 57 2HG1 ILE 57 0.364 -5.613 -3.197 1104 HG13 ILE 57 3HG1 ILE 57 0.821 -5.893 -4.872 1105 HG21 ILE 57 1HG2 ILE 57 -0.727 -2.087 -3.747 1106 HG22 ILE 57 2HG2 ILE 57 0.835 -2.619 -3.126 1107 HG23 ILE 57 3HG2 ILE 57 -0.649 -3.369 -2.541 1108 HD11 ILE 57 3HD1 ILE 57 2.770 -5.673 -3.448 1109 HD12 ILE 57 1HD1 ILE 57 2.231 -4.074 -2.937 1110 HD13 ILE 57 2HD1 ILE 57 2.693 -4.348 -4.614 1111 H THR 58 H THR 58 -1.564 -6.943 -4.427 1112 HA THR 58 HA THR 58 -3.461 -6.700 -2.226 1113 HB THR 58 HB THR 58 -3.454 -9.245 -2.385 1114 HG1 THR 58 HG1 THR 58 -2.050 -10.086 -3.717 1115 HG21 THR 58 3HG2 THR 58 -4.320 -7.659 -4.807 1116 HG22 THR 58 1HG2 THR 58 -5.247 -7.869 -3.320 1117 HG23 THR 58 2HG2 THR 58 -4.914 -9.259 -4.355 1118 H LEU 59 H LEU 59 -2.864 -6.842 -0.177 1119 HA LEU 59 HA LEU 59 -0.202 -7.963 0.447 1120 HB2 LEU 59 2HB LEU 59 -1.764 -5.867 1.967 1121 HB3 LEU 59 3HB LEU 59 -0.186 -6.491 2.411 1122 HG LEU 59 HG LEU 59 -0.798 -4.888 -0.077 1123 HD11 LEU 59 1HD1 LEU 59 0.631 -4.135 2.468 1124 HD12 LEU 59 2HD1 LEU 59 -0.938 -3.536 1.928 1125 HD13 LEU 59 3HD1 LEU 59 0.520 -3.138 1.019 1126 HD21 LEU 59 3HD2 LEU 59 1.639 -4.817 -0.351 1127 HD22 LEU 59 1HD2 LEU 59 1.016 -6.464 -0.445 1128 HD23 LEU 59 2HD2 LEU 59 1.819 -5.910 1.022 1129 H SER 60 H SER 60 -0.031 -9.354 2.218 1130 HA SER 60 HA SER 60 -2.554 -10.621 2.969 1131 HB2 SER 60 2HB SER 60 0.170 -11.633 3.745 1132 HB3 SER 60 3HB SER 60 -1.314 -12.543 3.461 1133 HG SER 60 HG SER 60 0.519 -11.473 1.630 1134 H ASN 61 H ASN 61 -2.345 -11.619 5.306 1135 HA ASN 61 HA ASN 61 -2.850 -9.585 7.102 1136 HB2 ASN 61 2HB ASN 61 -2.044 -12.453 7.580 1137 HB3 ASN 61 3HB ASN 61 -2.588 -11.378 8.863 1138 HD21 ASN 61 1HD2 ASN 61 -4.715 -10.872 9.035 1139 HD22 ASN 61 2HD2 ASN 61 -5.955 -11.626 8.091 1140 H GLU 62 H GLU 62 0.179 -11.360 6.635 1141 HA GLU 62 HA GLU 62 1.359 -10.267 8.991 1142 HB2 GLU 62 2HB GLU 62 2.542 -11.856 6.720 1143 HB3 GLU 62 3HB GLU 62 3.442 -11.375 8.155 1144 HG2 GLU 62 2HG GLU 62 1.749 -12.575 9.532 1145 HG3 GLU 62 3HG GLU 62 1.033 -13.172 8.037 1146 H GLU 63 H GLU 63 1.962 -9.687 5.499 1147 HA GLU 63 HA GLU 63 3.961 -7.757 5.888 1148 HB2 GLU 63 2HB GLU 63 1.966 -7.692 3.622 1149 HB3 GLU 63 3HB GLU 63 3.599 -7.048 3.624 1150 HG2 GLU 63 2HG GLU 63 3.967 -8.945 2.457 1151 HG3 GLU 63 3HG GLU 63 4.192 -9.589 4.085 1152 H PHE 64 H PHE 64 0.473 -7.515 5.931 1153 HA PHE 64 HA PHE 64 0.307 -4.699 5.747 1154 HB2 PHE 64 2HB PHE 64 -1.491 -6.670 5.538 1155 HB3 PHE 64 3HB PHE 64 -1.795 -6.212 7.211 1156 HD1 PHE 64 HD1 PHE 64 -1.452 -4.731 3.815 1157 HD2 PHE 64 HD2 PHE 64 -3.269 -4.495 7.654 1158 HE1 PHE 64 HE1 PHE 64 -2.873 -2.885 3.022 1159 HE2 PHE 64 HE2 PHE 64 -4.688 -2.649 6.872 1160 HZ PHE 64 HZ PHE 64 -4.494 -1.843 4.552 1161 H GLN 65 H GLN 65 0.182 -6.912 8.535 1162 HA GLN 65 HA GLN 65 -0.051 -4.915 10.508 1163 HB2 GLN 65 2HB GLN 65 -0.278 -7.540 10.598 1164 HB3 GLN 65 3HB GLN 65 1.423 -7.469 11.023 1165 HG2 GLN 65 2HG GLN 65 -0.719 -5.981 12.520 1166 HG3 GLN 65 3HG GLN 65 -0.196 -7.609 12.936 1167 HE21 GLN 65 1HE2 GLN 65 0.579 -4.252 12.997 1168 HE22 GLN 65 2HE2 GLN 65 2.007 -4.369 13.971 1169 H THR 66 H THR 66 2.721 -6.523 9.043 1170 HA THR 66 HA THR 66 4.795 -5.474 10.534 1171 HB THR 66 HB THR 66 4.744 -6.062 7.567 1172 HG1 THR 66 HG1 THR 66 4.278 -7.931 8.617 1173 HG21 THR 66 3HG2 THR 66 6.694 -4.717 8.148 1174 HG22 THR 66 1HG2 THR 66 7.173 -6.376 7.790 1175 HG23 THR 66 2HG2 THR 66 7.085 -5.825 9.464 1176 H MET 67 H MET 67 3.158 -4.043 7.719 1177 HA MET 67 HA MET 67 4.942 -1.842 7.575 1178 HB2 MET 67 2HB MET 67 3.645 -1.014 5.808 1179 HB3 MET 67 3HB MET 67 3.473 -2.755 5.683 1180 HG2 MET 67 2HG MET 67 1.297 -2.675 6.648 1181 HG3 MET 67 3HG MET 67 1.471 -0.961 7.016 1182 HE1 MET 67 3HE MET 67 -1.100 -1.746 5.659 1183 HE2 MET 67 1HE MET 67 -1.196 -0.611 4.312 1184 HE3 MET 67 2HE MET 67 -0.602 -0.069 5.884 1185 H VAL 68 H VAL 68 1.914 -2.393 9.270 1186 HA VAL 68 HA VAL 68 1.277 0.248 9.960 1187 HB VAL 68 HB VAL 68 0.866 -2.260 11.606 1188 HG11 VAL 68 1HG1 VAL 68 -0.507 0.422 11.819 1189 HG12 VAL 68 2HG1 VAL 68 0.622 -0.261 12.992 1190 HG13 VAL 68 3HG1 VAL 68 -0.940 -1.038 12.713 1191 HG21 VAL 68 3HG2 VAL 68 -0.162 -2.472 9.457 1192 HG22 VAL 68 1HG2 VAL 68 -0.861 -0.857 9.581 1193 HG23 VAL 68 2HG2 VAL 68 -1.425 -2.146 10.646 1194 H ASP 69 H ASP 69 3.269 -2.119 11.740 1195 HA ASP 69 HA ASP 69 4.080 -0.372 13.797 1196 HB2 ASP 69 2HB ASP 69 5.068 -2.971 12.733 1197 HB3 ASP 69 3HB ASP 69 6.153 -2.049 13.768 1198 H ALA 70 H ALA 70 5.766 -1.299 10.798 1199 HA ALA 70 HA ALA 70 8.055 0.258 11.276 1200 HB1 ALA 70 3HB ALA 70 8.048 -1.565 9.677 1201 HB2 ALA 70 1HB ALA 70 8.559 -0.063 8.905 1202 HB3 ALA 70 2HB ALA 70 6.926 -0.677 8.650 1203 H PHE 71 H PHE 71 5.013 1.031 9.635 1204 HA PHE 71 HA PHE 71 5.931 3.659 8.916 1205 HB2 PHE 71 2HB PHE 71 3.247 2.317 8.749 1206 HB3 PHE 71 3HB PHE 71 3.437 4.035 8.416 1207 HD1 PHE 71 HD2 PHE 71 6.053 4.027 7.012 1208 HD2 PHE 71 HD1 PHE 71 2.705 1.418 6.689 1209 HE1 PHE 71 HE2 PHE 71 6.690 3.503 4.697 1210 HE2 PHE 71 HE1 PHE 71 3.341 0.887 4.375 1211 HZ PHE 71 HZ PHE 71 5.334 1.932 3.376 1212 H LYS 72 H LYS 72 4.829 2.313 11.838 1213 HA LYS 72 HA LYS 72 4.033 4.857 12.943 1214 HB2 LYS 72 2HB LYS 72 3.276 2.968 14.172 1215 HB3 LYS 72 3HB LYS 72 4.877 2.241 14.197 1216 HG2 LYS 72 2HG LYS 72 5.662 3.790 15.798 1217 HG3 LYS 72 3HG LYS 72 4.255 4.833 15.586 1218 HD2 LYS 72 2HD LYS 72 3.923 2.014 16.539 1219 HD3 LYS 72 3HD LYS 72 4.397 3.288 17.664 1220 HE2 LYS 72 2HE LYS 72 1.923 3.264 15.935 1221 HE3 LYS 72 3HE LYS 72 1.980 2.969 17.674 1222 HZ1 LYS 72 3HZ LYS 72 2.596 5.505 16.252 1223 HZ2 LYS 72 1HZ LYS 72 2.936 5.247 17.897 1224 HZ3 LYS 72 2HZ LYS 72 1.335 5.215 17.347 1225 H GLY 73 H GLY 73 6.910 3.138 12.291 1226 HA2 GLY 73 2HA GLY 73 8.727 4.522 13.946 1227 HA3 GLY 73 3HA GLY 73 9.137 3.694 12.453 1228 H ASN 74 H ASN 74 8.045 5.062 10.484 1229 HA ASN 74 HA ASN 74 9.541 7.550 10.614 1230 HB2 ASN 74 2HB ASN 74 8.714 7.531 8.065 1231 HB3 ASN 74 3HB ASN 74 10.126 6.636 8.619 1232 HD21 ASN 74 1HD2 ASN 74 10.134 4.477 8.534 1233 HD22 ASN 74 2HD2 ASN 74 8.832 3.517 7.914 1234 H LEU 75 H LEU 75 6.508 7.014 8.808 1235 HA LEU 75 HA LEU 75 5.769 9.750 9.315 1236 HB2 LEU 75 2HB LEU 75 4.259 7.527 7.942 1237 HB3 LEU 75 3HB LEU 75 3.680 9.173 8.068 1238 HG LEU 75 HG LEU 75 5.949 9.747 6.862 1239 HD11 LEU 75 1HD1 LEU 75 6.829 7.465 6.946 1240 HD12 LEU 75 2HD1 LEU 75 6.625 8.030 5.288 1241 HD13 LEU 75 3HD1 LEU 75 5.455 6.913 5.987 1242 HD21 LEU 75 3HD2 LEU 75 3.602 8.509 5.429 1243 HD22 LEU 75 1HD2 LEU 75 4.805 9.582 4.713 1244 HD23 LEU 75 2HD2 LEU 75 3.720 10.185 5.967 1245 H GLU 76 H GLU 76 3.807 10.457 10.293 1246 HA GLU 76 HA GLU 76 1.734 9.004 11.278 1247 HB2 GLU 76 2HB GLU 76 3.569 8.019 12.811 1248 HB3 GLU 76 3HB GLU 76 3.518 9.570 13.641 1249 HG2 GLU 76 2HG GLU 76 1.258 9.256 14.275 1250 HG3 GLU 76 3HG GLU 76 1.083 7.868 13.202 1251 H HIS 77 H HIS 77 3.960 11.556 12.293 1252 HA HIS 77 HA HIS 77 3.705 13.799 12.522 1253 HB2 HIS 77 2HB HIS 77 2.496 13.395 10.269 1254 HB3 HIS 77 3HB HIS 77 1.008 13.583 11.188 1255 HD1 HIS 77 HD1 HIS 77 3.773 15.488 9.631 1256 HD2 HIS 77 HD2 HIS 77 0.577 16.211 12.204 1257 HE1 HIS 77 HE1 HIS 77 3.513 17.995 9.714 1258 HE2 HIS 77 HE2 HIS 77 1.633 18.408 11.345 1259 H HIS 78 H HIS 78 3.108 12.296 14.704 1260 HA HIS 78 HA HIS 78 0.528 13.089 15.749 1261 HB2 HIS 78 2HB HIS 78 1.229 11.871 17.816 1262 HB3 HIS 78 3HB HIS 78 1.231 10.891 16.362 1263 HD1 HIS 78 HD1 HIS 78 3.041 9.250 16.572 1264 HD2 HIS 78 HD2 HIS 78 4.183 12.987 18.022 1265 HE1 HIS 78 HE1 HIS 78 5.448 9.010 17.257 1266 HE2 HIS 78 HE2 HIS 78 6.063 11.223 18.290 1267 H HIS 79 H HIS 79 2.555 15.144 15.122 1268 HA HIS 79 HA HIS 79 2.688 16.444 17.768 1269 HB2 HIS 79 2HB HIS 79 4.303 16.861 15.256 1270 HB3 HIS 79 3HB HIS 79 4.228 18.087 16.512 1271 HD1 HIS 79 HD1 HIS 79 6.935 17.112 15.994 1272 HD2 HIS 79 HD2 HIS 79 4.382 15.133 18.614 1273 HE1 HIS 79 HE1 HIS 79 8.427 15.762 17.504 1274 HE2 HIS 79 HE2 HIS 79 6.870 14.643 19.144 1275 H HIS 80 H HIS 80 2.414 18.934 17.553 1276 HA HIS 80 HA HIS 80 0.285 19.446 15.586 1277 HB2 HIS 80 2HB HIS 80 -0.702 21.073 17.022 1278 HB3 HIS 80 3HB HIS 80 -0.398 19.657 18.012 1279 HD1 HIS 80 HD1 HIS 80 0.411 23.268 17.687 1280 HD2 HIS 80 HD2 HIS 80 1.672 20.006 19.956 1281 HE1 HIS 80 HE1 HIS 80 1.711 24.234 19.611 1282 HE2 HIS 80 HE2 HIS 80 2.569 22.243 20.901 1283 H HIS 81 H HIS 81 1.062 20.427 13.887 1284 HA HIS 81 HA HIS 81 3.364 22.155 14.000 1285 HB2 HIS 81 2HB HIS 81 2.781 20.699 12.027 1286 HB3 HIS 81 3HB HIS 81 1.412 21.760 11.712 1287 HD1 HIS 81 HD1 HIS 81 4.935 21.315 10.944 1288 HD2 HIS 81 HD2 HIS 81 2.266 24.505 11.087 1289 HE1 HIS 81 HE1 HIS 81 6.002 23.162 9.607 1290 HE2 HIS 81 HE2 HIS 81 4.257 24.980 9.516 1291 H HIS 82 H HIS 82 -0.081 22.433 14.029 1292 HA HIS 82 HA HIS 82 0.140 25.361 14.158 1293 HB2 HIS 82 2HB HIS 82 -1.295 24.317 12.326 1294 HB3 HIS 82 3HB HIS 82 -2.366 23.760 13.606 1295 HD1 HIS 82 HD1 HIS 82 -3.456 25.746 15.098 1296 HD2 HIS 82 HD2 HIS 82 -1.769 26.840 11.455 1297 HE1 HIS 82 HE1 HIS 82 -4.427 28.002 14.551 1298 HE2 HIS 82 HE2 HIS 82 -3.497 28.584 12.274
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