NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
531532 | 2lp6 | 6173 | 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 -15.021 6.521 2.029 2 H2 MET 1 2H MET 1 -13.682 5.966 2.898 3 H3 MET 1 3H MET 1 -14.710 4.866 2.143 4 HA MET 1 HA MET 1 -14.098 5.693 -0.015 5 HB2 MET 1 2HB MET 1 -12.182 7.476 1.563 6 HB3 MET 1 1HB MET 1 -12.120 7.266 -0.185 7 HG2 MET 1 2HG MET 1 -14.467 8.432 1.336 8 HG3 MET 1 1HG MET 1 -13.235 9.370 0.486 9 HE1 MET 1 3HE MET 1 -16.338 9.838 -1.886 10 HE2 MET 1 1HE MET 1 -15.097 10.652 -0.935 11 HE3 MET 1 2HE MET 1 -16.388 9.762 -0.124 12 H ARG 2 H ARG 2 -12.867 4.129 -1.001 13 HA ARG 2 HA ARG 2 -10.378 3.221 0.354 14 HB2 ARG 2 2HB ARG 2 -12.162 1.433 -1.376 15 HB3 ARG 2 1HB ARG 2 -10.671 0.966 -0.570 16 HG2 ARG 2 2HG ARG 2 -11.835 1.427 1.639 17 HG3 ARG 2 1HG ARG 2 -13.331 1.624 0.724 18 HD2 ARG 2 2HD ARG 2 -11.635 -0.877 0.980 19 HD3 ARG 2 1HD ARG 2 -13.280 -0.637 1.564 20 HE ARG 2 HE ARG 2 -12.455 -0.945 -1.255 21 HH11 ARG 2 1HH1 ARG 2 -15.050 -1.085 1.132 22 HH12 ARG 2 2HH1 ARG 2 -16.180 -1.787 0.021 23 HH21 ARG 2 1HH2 ARG 2 -13.893 -1.899 -2.653 24 HH22 ARG 2 2HH2 ARG 2 -15.515 -2.258 -2.144 25 H ILE 3 H ILE 3 -8.604 3.506 -0.851 26 HA ILE 3 HA ILE 3 -8.844 4.519 -3.603 27 HB ILE 3 HB ILE 3 -6.447 4.531 -1.693 28 HG12 ILE 3 2HG1 ILE 3 -8.358 6.816 -2.391 29 HG13 ILE 3 1HG1 ILE 3 -8.369 5.918 -0.878 30 HG21 ILE 3 1HG2 ILE 3 -5.435 6.166 -3.251 31 HG22 ILE 3 2HG2 ILE 3 -6.807 5.985 -4.345 32 HG23 ILE 3 3HG2 ILE 3 -5.732 4.618 -4.048 33 HD11 ILE 3 3HD1 ILE 3 -7.291 8.049 -0.600 34 HD12 ILE 3 1HD1 ILE 3 -6.136 7.675 -1.878 35 HD13 ILE 3 2HD1 ILE 3 -6.122 6.749 -0.374 36 H LYS 4 H LYS 4 -8.045 3.365 -5.316 37 HA LYS 4 HA LYS 4 -7.187 0.603 -4.858 38 HB2 LYS 4 2HB LYS 4 -9.017 1.067 -6.445 39 HB3 LYS 4 1HB LYS 4 -7.963 2.102 -7.402 40 HG2 LYS 4 2HG LYS 4 -6.579 0.162 -8.011 41 HG3 LYS 4 1HG LYS 4 -7.581 -0.888 -6.998 42 HD2 LYS 4 2HD LYS 4 -9.542 -0.410 -8.420 43 HD3 LYS 4 1HD LYS 4 -8.579 0.684 -9.411 44 HE2 LYS 4 2HE LYS 4 -7.206 -1.174 -10.184 45 HE3 LYS 4 1HE LYS 4 -8.050 -2.287 -9.104 46 HZ1 LYS 4 3HZ LYS 4 -8.891 -2.456 -11.348 47 HZ2 LYS 4 1HZ LYS 4 -9.278 -0.813 -11.373 48 HZ3 LYS 4 2HZ LYS 4 -10.095 -1.860 -10.327 49 H GLY 5 H GLY 5 -5.122 -0.074 -5.130 50 HA2 GLY 5 2HA GLY 5 -3.145 1.672 -6.498 51 HA3 GLY 5 1HA GLY 5 -2.849 1.083 -4.865 52 H VAL 6 H VAL 6 -1.081 0.572 -6.918 53 HA VAL 6 HA VAL 6 -1.365 -2.345 -7.416 54 HB VAL 6 HB VAL 6 0.203 -0.276 -9.055 55 HG11 VAL 6 1HG1 VAL 6 -0.130 -3.262 -9.545 56 HG12 VAL 6 2HG1 VAL 6 1.353 -2.446 -9.040 57 HG13 VAL 6 3HG1 VAL 6 0.668 -2.120 -10.631 58 HG21 VAL 6 3HG2 VAL 6 -2.332 -1.793 -9.781 59 HG22 VAL 6 1HG2 VAL 6 -1.416 -0.743 -10.867 60 HG23 VAL 6 2HG2 VAL 6 -2.207 -0.065 -9.443 61 H VAL 7 H VAL 7 0.010 -3.469 -6.095 62 HA VAL 7 HA VAL 7 2.271 -2.338 -4.792 63 HB VAL 7 HB VAL 7 1.802 -5.315 -5.285 64 HG11 VAL 7 1HG1 VAL 7 3.134 -5.596 -3.217 65 HG12 VAL 7 2HG1 VAL 7 3.388 -3.855 -3.137 66 HG13 VAL 7 3HG1 VAL 7 4.056 -4.784 -4.482 67 HG21 VAL 7 3HG2 VAL 7 0.642 -5.394 -3.118 68 HG22 VAL 7 1HG2 VAL 7 -0.214 -4.361 -4.265 69 HG23 VAL 7 2HG2 VAL 7 0.755 -3.636 -2.978 70 H LEU 8 H LEU 8 3.811 -1.511 -6.073 71 HA LEU 8 HA LEU 8 4.783 -2.593 -8.532 72 HB2 LEU 8 2HB LEU 8 6.187 -0.640 -6.662 73 HB3 LEU 8 1HB LEU 8 6.521 -0.876 -8.370 74 HG LEU 8 HG LEU 8 4.024 0.383 -7.173 75 HD11 LEU 8 1HD1 LEU 8 4.821 2.443 -8.291 76 HD12 LEU 8 2HD1 LEU 8 6.297 1.607 -8.774 77 HD13 LEU 8 3HD1 LEU 8 5.947 1.866 -7.063 78 HD21 LEU 8 3HD2 LEU 8 4.668 -0.081 -10.104 79 HD22 LEU 8 1HD2 LEU 8 3.297 0.839 -9.477 80 HD23 LEU 8 2HD2 LEU 8 3.407 -0.892 -9.171 81 H SER 9 H SER 9 5.742 -2.864 -5.136 82 HA SER 9 HA SER 9 7.514 -5.085 -5.665 83 HB2 SER 9 2HB SER 9 8.977 -3.109 -6.149 84 HB3 SER 9 1HB SER 9 8.720 -2.547 -4.499 85 HG SER 9 HG SER 9 10.198 -3.890 -3.873 86 H TYR 10 H TYR 10 8.258 -6.161 -3.745 87 HA TYR 10 HA TYR 10 6.935 -5.372 -1.194 88 HB2 TYR 10 2HB TYR 10 7.765 -8.185 -2.096 89 HB3 TYR 10 1HB TYR 10 7.049 -7.778 -0.541 90 HD1 TYR 10 HD1 TYR 10 6.395 -8.216 -4.133 91 HD2 TYR 10 HD2 TYR 10 4.616 -7.349 -0.348 92 HE1 TYR 10 HE1 TYR 10 4.171 -8.590 -5.099 93 HE2 TYR 10 HE2 TYR 10 2.390 -7.728 -1.325 94 HH TYR 10 HH TYR 10 1.906 -9.094 -4.414 95 H ARG 11 H ARG 11 8.186 -5.895 0.735 96 HA ARG 11 HA ARG 11 11.057 -6.444 0.393 97 HB2 ARG 11 2HB ARG 11 10.038 -4.417 2.427 98 HB3 ARG 11 1HB ARG 11 11.707 -4.820 2.054 99 HG2 ARG 11 2HG ARG 11 11.228 -3.860 -0.293 100 HG3 ARG 11 1HG ARG 11 9.755 -3.198 0.421 101 HD2 ARG 11 2HD ARG 11 12.628 -2.580 1.128 102 HD3 ARG 11 1HD ARG 11 11.385 -1.477 0.542 103 HE ARG 11 HE ARG 11 10.284 -2.139 2.823 104 HH11 ARG 11 1HH1 ARG 11 13.691 -1.461 2.268 105 HH12 ARG 11 2HH1 ARG 11 13.961 -0.902 3.886 106 HH21 ARG 11 1HH2 ARG 11 10.669 -1.442 4.958 107 HH22 ARG 11 2HH2 ARG 11 12.251 -0.893 5.410 108 H ARG 12 H ARG 12 11.624 -8.141 1.675 109 HA ARG 12 HA ARG 12 9.752 -9.322 3.500 110 HB2 ARG 12 2HB ARG 12 11.314 -10.746 2.225 111 HB3 ARG 12 1HB ARG 12 12.695 -9.971 3.000 112 HG2 ARG 12 2HG ARG 12 11.946 -10.849 5.196 113 HG3 ARG 12 1HG ARG 12 10.581 -11.642 4.410 114 HD2 ARG 12 2HD ARG 12 12.096 -13.097 3.167 115 HD3 ARG 12 1HD ARG 12 13.500 -12.234 3.814 116 HE ARG 12 HE ARG 12 12.142 -13.091 6.043 117 HH11 ARG 12 1HH1 ARG 12 13.529 -14.738 3.248 118 HH12 ARG 12 2HH1 ARG 12 13.858 -16.202 4.124 119 HH21 ARG 12 1HH2 ARG 12 12.606 -15.018 7.188 120 HH22 ARG 12 2HH2 ARG 12 13.334 -16.360 6.356 121 H SER 13 H SER 13 9.438 -8.696 5.515 122 HA SER 13 HA SER 13 11.037 -6.813 6.918 123 HB2 SER 13 2HB SER 13 8.596 -7.010 7.223 124 HB3 SER 13 1HB SER 13 8.797 -8.621 7.912 125 HG SER 13 HG SER 13 10.019 -6.307 8.998 126 H LYS 14 H LYS 14 13.054 -7.446 7.325 127 HA LYS 14 HA LYS 14 13.728 -10.029 8.527 128 HB2 LYS 14 2HB LYS 14 15.495 -7.651 7.795 129 HB3 LYS 14 1HB LYS 14 16.073 -9.237 8.291 130 HG2 LYS 14 2HG LYS 14 14.496 -8.638 5.768 131 HG3 LYS 14 1HG LYS 14 16.237 -8.902 5.851 132 HD2 LYS 14 2HD LYS 14 14.146 -10.967 6.637 133 HD3 LYS 14 1HD LYS 14 14.932 -10.896 5.061 134 HE2 LYS 14 2HE LYS 14 17.098 -11.362 6.054 135 HE3 LYS 14 1HE LYS 14 16.423 -11.254 7.683 136 HZ1 LYS 14 3HZ LYS 14 15.137 -13.213 7.305 137 HZ2 LYS 14 1HZ LYS 14 16.734 -13.557 6.867 138 HZ3 LYS 14 2HZ LYS 14 15.569 -13.268 5.673 139 H GLU 15 H GLU 15 12.510 -7.208 9.655 140 HA GLU 15 HA GLU 15 14.150 -6.673 11.962 141 HB2 GLU 15 2HB GLU 15 11.303 -5.709 11.388 142 HB3 GLU 15 1HB GLU 15 12.433 -5.027 12.551 143 HG2 GLU 15 2HG GLU 15 12.472 -3.507 10.768 144 HG3 GLU 15 1HG GLU 15 13.932 -4.460 10.538 145 H ASN 16 H ASN 16 13.000 -6.615 14.193 146 HA ASN 16 HA ASN 16 12.024 -9.158 14.984 147 HB2 ASN 16 2HB ASN 16 11.899 -6.457 16.394 148 HB3 ASN 16 1HB ASN 16 11.381 -7.961 17.148 149 HD21 ASN 16 1HD2 ASN 16 12.898 -8.020 18.758 150 HD22 ASN 16 2HD2 ASN 16 14.598 -8.175 18.480 151 H GLN 17 H GLN 17 10.391 -6.058 14.408 152 HA GLN 17 HA GLN 17 7.708 -7.103 14.619 153 HB2 GLN 17 2HB GLN 17 8.700 -4.490 13.378 154 HB3 GLN 17 1HB GLN 17 7.026 -4.874 13.775 155 HG2 GLN 17 2HG GLN 17 7.542 -4.897 16.149 156 HG3 GLN 17 1HG GLN 17 9.258 -4.677 15.812 157 HE21 GLN 17 1HE2 GLN 17 6.134 -3.119 15.917 158 HE22 GLN 17 2HE2 GLN 17 6.713 -1.499 15.776 159 H HIS 18 H HIS 18 7.706 -8.881 13.179 160 HA HIS 18 HA HIS 18 8.422 -8.692 10.416 161 HB2 HIS 18 2HB HIS 18 6.681 -10.773 11.803 162 HB3 HIS 18 1HB HIS 18 7.329 -10.910 10.168 163 HD1 HIS 18 HD1 HIS 18 8.007 -12.057 13.448 164 HD2 HIS 18 HD2 HIS 18 10.387 -10.676 10.329 165 HE1 HIS 18 HE1 HIS 18 10.316 -12.920 13.922 166 HE2 HIS 18 HE2 HIS 18 11.756 -11.920 12.126 167 H ASN 19 H ASN 19 7.375 -6.891 9.654 168 HA ASN 19 HA ASN 19 4.484 -7.183 9.080 169 HB2 ASN 19 2HB ASN 19 5.993 -4.613 9.758 170 HB3 ASN 19 1HB ASN 19 4.339 -4.664 9.154 171 HD21 ASN 19 1HD2 ASN 19 3.558 -6.997 10.729 172 HD22 ASN 19 2HD2 ASN 19 3.426 -6.452 12.358 173 H ASN 20 H ASN 20 4.402 -7.697 6.961 174 HA ASN 20 HA ASN 20 6.644 -7.459 5.257 175 HB2 ASN 20 2HB ASN 20 5.206 -8.419 3.467 176 HB3 ASN 20 1HB ASN 20 5.071 -9.321 4.968 177 HD21 ASN 20 1HD2 ASN 20 3.383 -7.308 2.683 178 HD22 ASN 20 2HD2 ASN 20 1.804 -7.557 3.333 179 H VAL 21 H VAL 21 7.320 -5.795 4.110 180 HA VAL 21 HA VAL 21 5.701 -3.350 4.015 181 HB VAL 21 HB VAL 21 8.602 -3.669 3.131 182 HG11 VAL 21 1HG1 VAL 21 8.758 -1.250 3.557 183 HG12 VAL 21 2HG1 VAL 21 7.056 -1.211 4.025 184 HG13 VAL 21 3HG1 VAL 21 7.506 -1.607 2.364 185 HG21 VAL 21 3HG2 VAL 21 9.299 -2.888 5.373 186 HG22 VAL 21 1HG2 VAL 21 8.482 -4.452 5.440 187 HG23 VAL 21 2HG2 VAL 21 7.627 -2.991 5.920 188 H MET 22 H MET 22 5.255 -2.270 2.033 189 HA MET 22 HA MET 22 6.151 -3.504 -0.462 190 HB2 MET 22 2HB MET 22 3.835 -3.622 -1.384 191 HB3 MET 22 1HB MET 22 4.123 -4.749 -0.071 192 HG2 MET 22 2HG MET 22 2.897 -3.299 1.468 193 HG3 MET 22 1HG MET 22 2.648 -2.125 0.175 194 HE1 MET 22 3HE MET 22 0.798 -6.357 0.164 195 HE2 MET 22 1HE MET 22 1.775 -5.742 1.494 196 HE3 MET 22 2HE MET 22 2.520 -6.074 -0.071 197 H ILE 23 H ILE 23 6.366 -2.137 -2.088 198 HA ILE 23 HA ILE 23 5.882 0.709 -1.739 199 HB ILE 23 HB ILE 23 6.957 -0.653 -4.258 200 HG12 ILE 23 2HG1 ILE 23 8.371 -1.493 -2.449 201 HG13 ILE 23 1HG1 ILE 23 9.274 -0.338 -3.413 202 HG21 ILE 23 1HG2 ILE 23 8.110 1.494 -4.637 203 HG22 ILE 23 2HG2 ILE 23 7.404 2.152 -3.160 204 HG23 ILE 23 3HG2 ILE 23 6.362 1.710 -4.518 205 HD11 ILE 23 3HD1 ILE 23 9.767 -0.110 -1.059 206 HD12 ILE 23 1HD1 ILE 23 8.066 0.174 -0.696 207 HD13 ILE 23 2HD1 ILE 23 8.973 1.347 -1.654 208 H ILE 24 H ILE 24 3.679 0.993 -1.883 209 HA ILE 24 HA ILE 24 2.084 -0.160 -4.074 210 HB ILE 24 HB ILE 24 1.285 1.569 -1.676 211 HG12 ILE 24 2HG1 ILE 24 0.761 -1.403 -2.099 212 HG13 ILE 24 1HG1 ILE 24 2.088 -0.768 -1.133 213 HG21 ILE 24 1HG2 ILE 24 -0.533 0.181 -3.686 214 HG22 ILE 24 2HG2 ILE 24 -0.301 1.924 -3.518 215 HG23 ILE 24 3HG2 ILE 24 -1.063 1.007 -2.219 216 HD11 ILE 24 3HD1 ILE 24 0.478 0.292 0.378 217 HD12 ILE 24 1HD1 ILE 24 0.257 -1.453 0.270 218 HD13 ILE 24 2HD1 ILE 24 -0.851 -0.376 -0.578 219 H LYS 25 H LYS 25 1.576 1.042 -5.828 220 HA LYS 25 HA LYS 25 1.893 3.982 -5.809 221 HB2 LYS 25 2HB LYS 25 3.160 2.722 -7.555 222 HB3 LYS 25 1HB LYS 25 1.660 2.015 -8.135 223 HG2 LYS 25 2HG LYS 25 0.889 4.437 -8.586 224 HG3 LYS 25 1HG LYS 25 2.572 4.895 -8.319 225 HD2 LYS 25 2HD LYS 25 2.148 4.636 -10.716 226 HD3 LYS 25 1HD LYS 25 3.261 3.376 -10.173 227 HE2 LYS 25 2HE LYS 25 1.423 1.745 -10.114 228 HE3 LYS 25 1HE LYS 25 0.267 3.002 -10.566 229 HZ1 LYS 25 3HZ LYS 25 1.353 3.244 -12.675 230 HZ2 LYS 25 1HZ LYS 25 0.948 1.624 -12.451 231 HZ3 LYS 25 2HZ LYS 25 2.547 2.121 -12.262 232 HA PRO 26 HA PRO 26 -2.689 3.400 -5.608 233 HB2 PRO 26 2HB PRO 26 -2.732 6.203 -4.637 234 HB3 PRO 26 1HB PRO 26 -3.326 4.734 -3.841 235 HG2 PRO 26 2HG PRO 26 -1.141 6.057 -2.963 236 HG3 PRO 26 1HG PRO 26 -1.299 4.290 -2.817 237 HD2 PRO 26 2HD PRO 26 0.255 5.887 -4.852 238 HD3 PRO 26 1HD PRO 26 0.714 4.398 -3.988 239 H LEU 27 H LEU 27 -3.786 3.631 -7.435 240 HA LEU 27 HA LEU 27 -2.908 5.005 -9.707 241 HB2 LEU 27 2HB LEU 27 -5.696 3.932 -9.104 242 HB3 LEU 27 1HB LEU 27 -5.083 4.321 -10.706 243 HG LEU 27 HG LEU 27 -4.033 2.101 -8.895 244 HD11 LEU 27 1HD1 LEU 27 -6.220 1.545 -9.836 245 HD12 LEU 27 2HD1 LEU 27 -4.958 0.547 -10.553 246 HD13 LEU 27 3HD1 LEU 27 -5.636 1.899 -11.466 247 HD21 LEU 27 3HD2 LEU 27 -2.656 1.429 -10.837 248 HD22 LEU 27 1HD2 LEU 27 -2.202 3.008 -10.198 249 HD23 LEU 27 2HD2 LEU 27 -3.147 2.896 -11.685 250 H ASP 28 H ASP 28 -5.087 5.973 -7.174 251 HA ASP 28 HA ASP 28 -6.091 8.352 -8.537 252 HB2 ASP 28 2HB ASP 28 -7.623 7.036 -7.118 253 HB3 ASP 28 1HB ASP 28 -6.578 7.269 -5.723 254 H VAL 29 H VAL 29 -3.603 7.535 -6.225 255 HA VAL 29 HA VAL 29 -3.212 10.366 -5.432 256 HB VAL 29 HB VAL 29 -2.186 7.799 -4.135 257 HG11 VAL 29 1HG1 VAL 29 -1.902 10.670 -3.202 258 HG12 VAL 29 2HG1 VAL 29 -0.607 9.605 -3.749 259 HG13 VAL 29 3HG1 VAL 29 -1.477 9.239 -2.262 260 HG21 VAL 29 3HG2 VAL 29 -3.760 8.286 -2.314 261 HG22 VAL 29 1HG2 VAL 29 -4.607 8.046 -3.842 262 HG23 VAL 29 2HG2 VAL 29 -4.385 9.677 -3.201 263 H ASN 30 H ASN 30 -1.933 11.191 -7.031 264 HA ASN 30 HA ASN 30 0.679 9.885 -7.580 265 HB2 ASN 30 2HB ASN 30 -1.053 11.561 -9.444 266 HB3 ASN 30 1HB ASN 30 0.584 11.035 -9.822 267 HD21 ASN 30 1HD2 ASN 30 -2.709 9.955 -9.263 268 HD22 ASN 30 2HD2 ASN 30 -2.536 8.405 -10.008 269 H SER 31 H SER 31 -0.505 12.118 -5.686 270 HA SER 31 HA SER 31 1.750 14.009 -6.045 271 HB2 SER 31 2HB SER 31 -0.991 14.633 -4.853 272 HB3 SER 31 1HB SER 31 0.344 15.772 -5.056 273 HG SER 31 HG SER 31 -0.922 14.388 -7.195 274 H ARG 32 H ARG 32 2.792 14.735 -4.167 275 HA ARG 32 HA ARG 32 3.256 12.812 -2.151 276 HB2 ARG 32 2HB ARG 32 4.877 14.533 -3.035 277 HB3 ARG 32 1HB ARG 32 4.009 15.768 -2.144 278 HG2 ARG 32 2HG ARG 32 4.602 14.635 -0.021 279 HG3 ARG 32 1HG ARG 32 5.467 13.395 -0.935 280 HD2 ARG 32 2HD ARG 32 6.962 15.175 -1.861 281 HD3 ARG 32 1HD ARG 32 6.144 16.355 -0.829 282 HE ARG 32 HE ARG 32 6.948 14.552 0.984 283 HH11 ARG 32 1HH1 ARG 32 8.735 16.095 -1.638 284 HH12 ARG 32 2HH1 ARG 32 10.257 16.003 -0.818 285 HH21 ARG 32 1HH2 ARG 32 8.974 14.440 2.047 286 HH22 ARG 32 2HH2 ARG 32 10.394 15.067 1.272 287 H GLU 33 H GLU 33 1.310 15.740 -2.251 288 HA GLU 33 HA GLU 33 0.810 16.048 0.518 289 HB2 GLU 33 2HB GLU 33 -0.892 16.966 -1.845 290 HB3 GLU 33 1HB GLU 33 -1.113 17.487 -0.179 291 HG2 GLU 33 2HG GLU 33 0.007 19.251 -1.270 292 HG3 GLU 33 1HG GLU 33 1.223 18.465 -0.267 293 H GLU 34 H GLU 34 -1.072 14.567 -2.105 294 HA GLU 34 HA GLU 34 -3.316 13.706 -0.620 295 HB2 GLU 34 2HB GLU 34 -2.158 12.546 -3.185 296 HB3 GLU 34 1HB GLU 34 -3.779 12.233 -2.574 297 HG2 GLU 34 2HG GLU 34 -4.370 14.594 -2.892 298 HG3 GLU 34 1HG GLU 34 -2.737 14.944 -3.458 299 H ALA 35 H ALA 35 -0.163 12.293 -1.171 300 HA ALA 35 HA ALA 35 -0.778 9.670 -0.130 301 HB1 ALA 35 3HB ALA 35 1.903 10.984 -0.725 302 HB2 ALA 35 1HB ALA 35 0.950 10.010 -1.849 303 HB3 ALA 35 2HB ALA 35 1.633 9.267 -0.403 304 H SER 36 H SER 36 0.547 12.677 1.112 305 HA SER 36 HA SER 36 1.779 11.590 3.473 306 HB2 SER 36 2HB SER 36 2.545 13.695 2.304 307 HB3 SER 36 1HB SER 36 1.083 14.504 2.864 308 HG SER 36 HG SER 36 2.192 14.916 4.599 309 H LYS 37 H LYS 37 -1.368 12.912 2.676 310 HA LYS 37 HA LYS 37 -2.289 13.052 5.427 311 HB2 LYS 37 2HB LYS 37 -4.453 13.711 4.450 312 HB3 LYS 37 1HB LYS 37 -3.133 14.636 3.745 313 HG2 LYS 37 2HG LYS 37 -3.203 12.923 1.807 314 HG3 LYS 37 1HG LYS 37 -4.764 12.431 2.461 315 HD2 LYS 37 2HD LYS 37 -4.010 15.207 1.460 316 HD3 LYS 37 1HD LYS 37 -5.055 14.050 0.638 317 HE2 LYS 37 2HE LYS 37 -5.646 15.400 3.292 318 HE3 LYS 37 1HE LYS 37 -6.359 15.820 1.738 319 HZ1 LYS 37 3HZ LYS 37 -6.670 13.182 3.065 320 HZ2 LYS 37 1HZ LYS 37 -7.429 13.691 1.645 321 HZ3 LYS 37 2HZ LYS 37 -7.807 14.430 3.116 322 H LEU 38 H LEU 38 -1.666 10.490 3.430 323 HA LEU 38 HA LEU 38 -3.800 8.751 4.463 324 HB2 LEU 38 2HB LEU 38 -1.626 8.203 2.406 325 HB3 LEU 38 1HB LEU 38 -2.835 7.037 2.918 326 HG LEU 38 HG LEU 38 -3.384 9.614 1.403 327 HD11 LEU 38 1HD1 LEU 38 -3.542 6.721 0.484 328 HD12 LEU 38 2HD1 LEU 38 -2.312 7.899 0.014 329 HD13 LEU 38 3HD1 LEU 38 -3.989 8.141 -0.468 330 HD21 LEU 38 3HD2 LEU 38 -5.720 8.837 1.260 331 HD22 LEU 38 1HD2 LEU 38 -5.230 9.115 2.932 332 HD23 LEU 38 2HD2 LEU 38 -5.333 7.469 2.307 333 H ILE 39 H ILE 39 -0.893 9.788 5.654 334 HA ILE 39 HA ILE 39 0.369 7.338 6.397 335 HB ILE 39 HB ILE 39 0.647 10.083 7.703 336 HG12 ILE 39 2HG1 ILE 39 1.304 10.126 5.332 337 HG13 ILE 39 1HG1 ILE 39 2.736 10.259 6.346 338 HG21 ILE 39 1HG2 ILE 39 2.810 9.224 8.599 339 HG22 ILE 39 2HG2 ILE 39 2.422 7.621 7.970 340 HG23 ILE 39 3HG2 ILE 39 1.427 8.332 9.242 341 HD11 ILE 39 3HD1 ILE 39 3.224 8.817 4.527 342 HD12 ILE 39 1HD1 ILE 39 1.789 7.840 4.826 343 HD13 ILE 39 2HD1 ILE 39 3.130 7.818 5.975 344 H GLY 40 H GLY 40 -0.563 5.857 7.612 345 HA2 GLY 40 2HA GLY 40 -1.181 5.175 9.877 346 HA3 GLY 40 1HA GLY 40 -2.156 6.629 10.004 347 H ARG 41 H ARG 41 -2.838 5.928 7.000 348 HA ARG 41 HA ARG 41 -5.376 4.787 7.628 349 HB2 ARG 41 2HB ARG 41 -4.069 5.767 5.096 350 HB3 ARG 41 1HB ARG 41 -5.472 4.718 4.949 351 HG2 ARG 41 2HG ARG 41 -6.171 7.021 4.794 352 HG3 ARG 41 1HG ARG 41 -6.822 6.313 6.268 353 HD2 ARG 41 2HD ARG 41 -4.346 8.058 6.193 354 HD3 ARG 41 1HD ARG 41 -5.970 8.679 6.460 355 HE ARG 41 HE ARG 41 -5.533 6.673 8.353 356 HH11 ARG 41 1HH1 ARG 41 -4.220 9.844 7.586 357 HH12 ARG 41 2HH1 ARG 41 -3.768 10.195 9.222 358 HH21 ARG 41 1HH2 ARG 41 -4.912 7.131 10.503 359 HH22 ARG 41 2HH2 ARG 41 -4.160 8.642 10.883 360 H LEU 42 H LEU 42 -6.313 2.898 6.578 361 HA LEU 42 HA LEU 42 -4.515 0.644 7.194 362 HB2 LEU 42 2HB LEU 42 -6.657 1.043 8.484 363 HB3 LEU 42 1HB LEU 42 -7.559 0.755 7.008 364 HG LEU 42 HG LEU 42 -6.498 -1.592 6.969 365 HD11 LEU 42 1HD1 LEU 42 -4.634 -1.212 8.474 366 HD12 LEU 42 2HD1 LEU 42 -5.672 -2.480 9.118 367 HD13 LEU 42 3HD1 LEU 42 -5.734 -0.858 9.809 368 HD21 LEU 42 3HD2 LEU 42 -8.368 -0.917 9.261 369 HD22 LEU 42 1HD2 LEU 42 -8.133 -2.516 8.549 370 HD23 LEU 42 2HD2 LEU 42 -8.838 -1.220 7.587 371 H VAL 43 H VAL 43 -3.687 -0.402 5.447 372 HA VAL 43 HA VAL 43 -5.141 -0.315 2.876 373 HB VAL 43 HB VAL 43 -2.295 -1.321 3.394 374 HG11 VAL 43 1HG1 VAL 43 -3.712 -0.606 0.790 375 HG12 VAL 43 2HG1 VAL 43 -3.341 -2.238 1.356 376 HG13 VAL 43 3HG1 VAL 43 -2.035 -1.131 0.954 377 HG21 VAL 43 3HG2 VAL 43 -2.429 1.069 3.947 378 HG22 VAL 43 1HG2 VAL 43 -3.166 1.414 2.379 379 HG23 VAL 43 2HG2 VAL 43 -1.504 0.822 2.466 380 H LEU 44 H LEU 44 -6.090 -2.079 2.087 381 HA LEU 44 HA LEU 44 -5.822 -4.670 3.477 382 HB2 LEU 44 2HB LEU 44 -8.081 -3.600 1.727 383 HB3 LEU 44 1HB LEU 44 -8.067 -5.154 2.540 384 HG LEU 44 HG LEU 44 -8.179 -2.422 3.878 385 HD11 LEU 44 1HD1 LEU 44 -10.413 -3.103 4.628 386 HD12 LEU 44 2HD1 LEU 44 -10.264 -4.620 3.737 387 HD13 LEU 44 3HD1 LEU 44 -10.303 -3.084 2.868 388 HD21 LEU 44 3HD2 LEU 44 -6.845 -3.899 5.280 389 HD22 LEU 44 1HD2 LEU 44 -8.081 -5.157 5.194 390 HD23 LEU 44 2HD2 LEU 44 -8.418 -3.637 6.027 391 H TRP 45 H TRP 45 -4.161 -5.652 2.392 392 HA TRP 45 HA TRP 45 -4.267 -5.857 -0.555 393 HB2 TRP 45 2HB TRP 45 -2.066 -5.263 0.286 394 HB3 TRP 45 1HB TRP 45 -2.076 -6.600 1.429 395 HD1 TRP 45 HD1 TRP 45 -2.352 -6.308 -2.483 396 HE1 TRP 45 HE1 TRP 45 -0.928 -8.190 -3.502 397 HE3 TRP 45 HE3 TRP 45 -0.684 -8.492 1.816 398 HZ2 TRP 45 HZ2 TRP 45 0.707 -10.309 -2.610 399 HZ3 TRP 45 HZ3 TRP 45 0.828 -10.437 1.659 400 HH2 TRP 45 HH2 TRP 45 1.496 -11.337 -0.520 401 H LYS 46 H LYS 46 -4.532 -7.753 -1.549 402 HA LYS 46 HA LYS 46 -5.670 -10.000 -0.056 403 HB2 LYS 46 2HB LYS 46 -6.988 -9.155 -1.910 404 HB3 LYS 46 1HB LYS 46 -5.602 -9.177 -2.993 405 HG2 LYS 46 2HG LYS 46 -5.595 -11.671 -2.880 406 HG3 LYS 46 1HG LYS 46 -7.040 -11.602 -1.871 407 HD2 LYS 46 2HD LYS 46 -7.581 -12.074 -4.243 408 HD3 LYS 46 1HD LYS 46 -8.309 -10.560 -3.690 409 HE2 LYS 46 2HE LYS 46 -7.251 -10.472 -6.001 410 HE3 LYS 46 1HE LYS 46 -6.665 -9.250 -4.868 411 HZ1 LYS 46 3HZ LYS 46 -4.913 -10.392 -6.190 412 HZ2 LYS 46 1HZ LYS 46 -5.269 -11.824 -5.371 413 HZ3 LYS 46 2HZ LYS 46 -4.675 -10.481 -4.522 414 H SER 47 H SER 47 -3.919 -11.166 0.756 415 HA SER 47 HA SER 47 -1.494 -11.715 -0.579 416 HB2 SER 47 2HB SER 47 -1.124 -13.389 1.193 417 HB3 SER 47 1HB SER 47 -1.800 -11.917 1.886 418 HG SER 47 HG SER 47 -3.513 -12.979 2.467 419 HA PRO 48 HA PRO 48 -2.488 -15.109 -3.434 420 HB2 PRO 48 2HB PRO 48 0.088 -16.335 -2.440 421 HB3 PRO 48 1HB PRO 48 -0.432 -15.979 -4.097 422 HG2 PRO 48 2HG PRO 48 1.375 -14.442 -2.954 423 HG3 PRO 48 1HG PRO 48 0.089 -13.717 -3.952 424 HD2 PRO 48 2HD PRO 48 0.287 -13.864 -0.945 425 HD3 PRO 48 1HD PRO 48 -0.210 -12.505 -1.979 426 H SER 49 H SER 49 -1.835 -15.588 -0.065 427 HA SER 49 HA SER 49 -2.534 -18.337 0.183 428 HB2 SER 49 2HB SER 49 -1.119 -17.053 1.803 429 HB3 SER 49 1HB SER 49 -2.544 -16.139 2.297 430 HG SER 49 HG SER 49 -1.694 -18.492 3.193 431 H GLY 50 H GLY 50 -4.476 -15.669 -0.523 432 HA2 GLY 50 2HA GLY 50 -6.762 -15.529 -0.846 433 HA3 GLY 50 1HA GLY 50 -6.957 -17.107 -0.099 434 H LYS 51 H LYS 51 -5.272 -14.400 1.339 435 HA LYS 51 HA LYS 51 -7.462 -13.936 3.282 436 HB2 LYS 51 2HB LYS 51 -4.463 -14.028 3.896 437 HB3 LYS 51 1HB LYS 51 -5.729 -13.616 5.048 438 HG2 LYS 51 2HG LYS 51 -5.395 -16.302 3.700 439 HG3 LYS 51 1HG LYS 51 -4.874 -15.911 5.340 440 HD2 LYS 51 2HD LYS 51 -7.082 -15.731 6.139 441 HD3 LYS 51 1HD LYS 51 -7.765 -15.541 4.522 442 HE2 LYS 51 2HE LYS 51 -6.529 -18.090 5.610 443 HE3 LYS 51 1HE LYS 51 -8.260 -17.756 5.497 444 HZ1 LYS 51 3HZ LYS 51 -7.958 -17.505 3.063 445 HZ2 LYS 51 1HZ LYS 51 -7.585 -19.058 3.622 446 HZ3 LYS 51 2HZ LYS 51 -6.344 -17.992 3.239 447 H ILE 52 H ILE 52 -7.703 -11.788 3.900 448 HA ILE 52 HA ILE 52 -6.238 -9.778 2.291 449 HB ILE 52 HB ILE 52 -8.897 -9.544 3.784 450 HG12 ILE 52 2HG1 ILE 52 -8.206 -9.551 0.805 451 HG13 ILE 52 1HG1 ILE 52 -9.051 -10.820 1.677 452 HG21 ILE 52 1HG2 ILE 52 -7.445 -7.400 2.180 453 HG22 ILE 52 2HG2 ILE 52 -7.690 -7.397 3.929 454 HG23 ILE 52 3HG2 ILE 52 -9.074 -7.261 2.846 455 HD11 ILE 52 3HD1 ILE 52 -10.568 -9.532 0.321 456 HD12 ILE 52 1HD1 ILE 52 -10.096 -8.042 1.138 457 HD13 ILE 52 2HD1 ILE 52 -10.947 -9.309 2.029 458 H LEU 53 H LEU 53 -4.412 -9.365 3.325 459 HA LEU 53 HA LEU 53 -4.115 -9.196 6.180 460 HB2 LEU 53 2HB LEU 53 -2.137 -8.179 4.093 461 HB3 LEU 53 1HB LEU 53 -1.797 -8.601 5.766 462 HG LEU 53 HG LEU 53 -2.349 -10.481 3.447 463 HD11 LEU 53 1HD1 LEU 53 -0.060 -9.624 3.601 464 HD12 LEU 53 2HD1 LEU 53 -0.110 -11.349 3.953 465 HD13 LEU 53 3HD1 LEU 53 0.061 -10.188 5.273 466 HD21 LEU 53 3HD2 LEU 53 -3.570 -11.384 5.357 467 HD22 LEU 53 1HD2 LEU 53 -2.133 -11.248 6.375 468 HD23 LEU 53 2HD2 LEU 53 -2.153 -12.372 5.015 469 H LYS 54 H LYS 54 -4.132 -7.378 7.422 470 HA LYS 54 HA LYS 54 -4.849 -4.813 6.171 471 HB2 LYS 54 2HB LYS 54 -4.819 -5.473 9.148 472 HB3 LYS 54 1HB LYS 54 -5.568 -4.092 8.354 473 HG2 LYS 54 2HG LYS 54 -6.999 -5.948 7.117 474 HG3 LYS 54 1HG LYS 54 -6.512 -6.949 8.483 475 HD2 LYS 54 2HD LYS 54 -8.113 -4.366 8.557 476 HD3 LYS 54 1HD LYS 54 -8.671 -5.985 8.975 477 HE2 LYS 54 2HE LYS 54 -6.607 -4.370 10.502 478 HE3 LYS 54 1HE LYS 54 -8.280 -4.620 10.980 479 HZ1 LYS 54 3HZ LYS 54 -6.795 -6.090 12.171 480 HZ2 LYS 54 1HZ LYS 54 -6.230 -6.754 10.724 481 HZ3 LYS 54 2HZ LYS 54 -7.839 -6.983 11.189 482 H GLY 55 H GLY 55 -3.572 -3.011 6.386 483 HA2 GLY 55 2HA GLY 55 -0.927 -3.240 7.687 484 HA3 GLY 55 1HA GLY 55 -1.025 -2.887 5.963 485 H LYS 56 H LYS 56 0.304 -1.072 7.212 486 HA LYS 56 HA LYS 56 -1.509 1.234 7.518 487 HB2 LYS 56 2HB LYS 56 -0.947 0.287 9.795 488 HB3 LYS 56 1HB LYS 56 0.756 0.606 9.474 489 HG2 LYS 56 2HG LYS 56 0.248 3.029 9.265 490 HG3 LYS 56 1HG LYS 56 -1.450 2.695 9.611 491 HD2 LYS 56 2HD LYS 56 0.922 2.389 11.482 492 HD3 LYS 56 1HD LYS 56 -0.448 3.487 11.645 493 HE2 LYS 56 2HE LYS 56 -1.919 1.391 11.844 494 HE3 LYS 56 1HE LYS 56 -0.417 0.478 12.016 495 HZ1 LYS 56 3HZ LYS 56 -1.397 2.647 13.795 496 HZ2 LYS 56 1HZ LYS 56 0.125 1.919 13.933 497 HZ3 LYS 56 2HZ LYS 56 -1.270 1.002 14.173 498 H ILE 57 H ILE 57 -0.817 2.848 6.275 499 HA ILE 57 HA ILE 57 1.678 2.861 4.891 500 HB ILE 57 HB ILE 57 -0.302 5.156 5.283 501 HG12 ILE 57 2HG1 ILE 57 -0.101 3.133 3.003 502 HG13 ILE 57 1HG1 ILE 57 -1.327 3.115 4.264 503 HG21 ILE 57 1HG2 ILE 57 1.863 4.806 3.169 504 HG22 ILE 57 2HG2 ILE 57 1.922 5.936 4.523 505 HG23 ILE 57 3HG2 ILE 57 0.710 6.140 3.259 506 HD11 ILE 57 3HD1 ILE 57 -0.960 5.268 2.189 507 HD12 ILE 57 1HD1 ILE 57 -2.187 5.252 3.460 508 HD13 ILE 57 2HD1 ILE 57 -2.197 4.012 2.207 509 H VAL 58 H VAL 58 3.494 3.046 6.039 510 HA VAL 58 HA VAL 58 3.626 4.531 8.541 511 HB VAL 58 HB VAL 58 5.920 3.589 8.758 512 HG11 VAL 58 1HG1 VAL 58 3.816 1.510 8.043 513 HG12 VAL 58 2HG1 VAL 58 3.980 2.326 9.598 514 HG13 VAL 58 3HG1 VAL 58 5.247 1.237 9.041 515 HG21 VAL 58 3HG2 VAL 58 6.772 1.922 7.130 516 HG22 VAL 58 1HG2 VAL 58 6.577 3.507 6.375 517 HG23 VAL 58 2HG2 VAL 58 5.391 2.237 6.074 518 H ARG 59 H ARG 59 4.839 4.807 5.249 519 HA ARG 59 HA ARG 59 5.311 7.604 5.478 520 HB2 ARG 59 2HB ARG 59 7.403 6.934 6.537 521 HB3 ARG 59 1HB ARG 59 7.767 5.801 5.247 522 HG2 ARG 59 2HG ARG 59 8.387 7.508 3.744 523 HG3 ARG 59 1HG ARG 59 7.514 8.754 4.639 524 HD2 ARG 59 2HD ARG 59 10.060 8.816 4.805 525 HD3 ARG 59 1HD ARG 59 9.170 8.864 6.326 526 HE ARG 59 HE ARG 59 10.198 6.282 5.366 527 HH11 ARG 59 1HH1 ARG 59 10.452 8.919 7.685 528 HH12 ARG 59 2HH1 ARG 59 11.449 8.024 8.783 529 HH21 ARG 59 1HH2 ARG 59 11.455 5.079 6.845 530 HH22 ARG 59 2HH2 ARG 59 12.022 5.831 8.304 531 H VAL 60 H VAL 60 5.760 8.584 3.421 532 HA VAL 60 HA VAL 60 4.770 6.994 1.162 533 HB VAL 60 HB VAL 60 4.386 9.084 0.014 534 HG11 VAL 60 1HG1 VAL 60 2.872 10.244 1.586 535 HG12 VAL 60 2HG1 VAL 60 3.612 9.377 2.935 536 HG13 VAL 60 3HG1 VAL 60 2.720 8.491 1.696 537 HG21 VAL 60 3HG2 VAL 60 5.028 11.301 0.927 538 HG22 VAL 60 1HG2 VAL 60 6.446 10.304 0.590 539 HG23 VAL 60 2HG2 VAL 60 5.889 10.509 2.250 540 H HIS 61 H HIS 61 5.798 7.602 -0.987 541 HA HIS 61 HA HIS 61 8.744 7.624 -0.799 542 HB2 HIS 61 2HB HIS 61 7.836 5.331 -1.293 543 HB3 HIS 61 1HB HIS 61 7.033 5.964 -2.727 544 HD1 HIS 61 HD1 HIS 61 8.573 6.654 -4.721 545 HD2 HIS 61 HD2 HIS 61 10.556 4.784 -1.582 546 HE1 HIS 61 HE1 HIS 61 10.826 6.037 -5.625 547 HE2 HIS 61 HE2 HIS 61 11.917 4.720 -3.780 548 H GLY 62 H GLY 62 9.115 9.672 -1.386 549 HA2 GLY 62 2HA GLY 62 9.568 11.416 -2.772 550 HA3 GLY 62 1HA GLY 62 9.095 10.389 -4.111 551 H THR 63 H THR 63 8.127 12.127 -5.181 552 HA THR 63 HA THR 63 5.731 13.364 -4.015 553 HB THR 63 HB THR 63 5.807 14.850 -6.046 554 HG1 THR 63 HG1 THR 63 6.972 14.111 -7.641 555 HG21 THR 63 3HG2 THR 63 7.790 16.154 -5.390 556 HG22 THR 63 1HG2 THR 63 8.404 14.779 -4.469 557 HG23 THR 63 2HG2 THR 63 6.921 15.591 -3.960 558 H LYS 64 H LYS 64 6.527 10.713 -5.931 559 HA LYS 64 HA LYS 64 4.584 10.707 -7.970 560 HB2 LYS 64 2HB LYS 64 6.069 8.459 -6.574 561 HB3 LYS 64 1HB LYS 64 4.954 8.148 -7.902 562 HG2 LYS 64 2HG LYS 64 6.343 9.506 -9.412 563 HG3 LYS 64 1HG LYS 64 7.455 9.867 -8.085 564 HD2 LYS 64 2HD LYS 64 8.049 7.499 -7.883 565 HD3 LYS 64 1HD LYS 64 6.861 7.059 -9.113 566 HE2 LYS 64 2HE LYS 64 9.284 8.826 -9.607 567 HE3 LYS 64 1HE LYS 64 9.202 7.102 -9.967 568 HZ1 LYS 64 3HZ LYS 64 8.765 8.374 -11.942 569 HZ2 LYS 64 1HZ LYS 64 7.518 9.226 -11.178 570 HZ3 LYS 64 2HZ LYS 64 7.348 7.574 -11.479 571 H GLY 65 H GLY 65 4.105 10.372 -4.598 572 HA2 GLY 65 2HA GLY 65 2.104 10.161 -3.447 573 HA3 GLY 65 1HA GLY 65 1.293 9.723 -4.946 574 H ALA 66 H ALA 66 3.959 7.833 -4.867 575 HA ALA 66 HA ALA 66 2.621 5.433 -4.287 576 HB1 ALA 66 3HB ALA 66 5.610 5.968 -4.495 577 HB2 ALA 66 1HB ALA 66 4.536 5.537 -5.832 578 HB3 ALA 66 2HB ALA 66 4.844 4.379 -4.538 579 H VAL 67 H VAL 67 2.149 4.574 -2.338 580 HA VAL 67 HA VAL 67 3.430 5.720 0.075 581 HB VAL 67 HB VAL 67 1.456 4.886 1.316 582 HG11 VAL 67 1HG1 VAL 67 1.392 7.179 0.427 583 HG12 VAL 67 2HG1 VAL 67 -0.221 6.468 0.439 584 HG13 VAL 67 3HG1 VAL 67 0.674 6.595 -1.078 585 HG21 VAL 67 3HG2 VAL 67 0.886 2.933 -0.049 586 HG22 VAL 67 1HG2 VAL 67 0.394 3.979 -1.383 587 HG23 VAL 67 2HG2 VAL 67 -0.521 3.982 0.129 588 H ARG 68 H ARG 68 4.179 4.363 1.739 589 HA ARG 68 HA ARG 68 4.754 1.562 0.947 590 HB2 ARG 68 2HB ARG 68 6.447 3.504 2.584 591 HB3 ARG 68 1HB ARG 68 6.813 1.789 2.402 592 HG2 ARG 68 2HG ARG 68 7.042 2.078 -0.039 593 HG3 ARG 68 1HG ARG 68 6.648 3.789 0.120 594 HD2 ARG 68 2HD ARG 68 9.026 2.551 1.530 595 HD3 ARG 68 1HD ARG 68 9.123 3.166 -0.120 596 HE ARG 68 HE ARG 68 8.044 5.188 1.514 597 HH11 ARG 68 1HH1 ARG 68 11.087 3.487 1.102 598 HH12 ARG 68 2HH1 ARG 68 12.061 4.817 1.635 599 HH21 ARG 68 1HH2 ARG 68 9.340 6.987 2.174 600 HH22 ARG 68 2HH2 ARG 68 11.065 6.816 2.252 601 H ALA 69 H ALA 69 3.630 0.135 2.058 602 HA ALA 69 HA ALA 69 2.611 0.859 4.754 603 HB1 ALA 69 3HB ALA 69 0.637 -0.505 4.240 604 HB2 ALA 69 1HB ALA 69 1.297 -0.878 2.643 605 HB3 ALA 69 2HB ALA 69 0.856 0.781 3.052 606 H ARG 70 H ARG 70 3.020 -0.444 6.407 607 HA ARG 70 HA ARG 70 4.319 -3.065 6.001 608 HB2 ARG 70 2HB ARG 70 4.092 -1.317 8.491 609 HB3 ARG 70 1HB ARG 70 4.922 -2.868 8.415 610 HG2 ARG 70 2HG ARG 70 6.496 -1.884 6.736 611 HG3 ARG 70 1HG ARG 70 5.702 -0.325 6.964 612 HD2 ARG 70 2HD ARG 70 7.778 -0.509 8.302 613 HD3 ARG 70 1HD ARG 70 6.354 -0.289 9.315 614 HE ARG 70 HE ARG 70 6.557 -2.490 10.089 615 HH11 ARG 70 1HH1 ARG 70 9.150 -1.720 7.846 616 HH12 ARG 70 2HH1 ARG 70 10.123 -3.066 8.326 617 HH21 ARG 70 1HH2 ARG 70 7.843 -4.272 10.686 618 HH22 ARG 70 2HH2 ARG 70 9.386 -4.506 9.928 619 H PHE 71 H PHE 71 3.109 -4.874 6.338 620 HA PHE 71 HA PHE 71 0.366 -4.555 7.374 621 HB2 PHE 71 2HB PHE 71 1.644 -6.640 5.574 622 HB3 PHE 71 1HB PHE 71 0.029 -6.838 6.250 623 HD1 PHE 71 HD1 PHE 71 2.028 -4.245 4.381 624 HD2 PHE 71 HD2 PHE 71 -1.758 -6.141 4.928 625 HE1 PHE 71 HE1 PHE 71 1.075 -2.890 2.568 626 HE2 PHE 71 HE2 PHE 71 -2.693 -4.786 3.108 627 HZ PHE 71 HZ PHE 71 -1.278 -3.162 1.930 628 H GLU 72 H GLU 72 -0.301 -5.439 9.197 629 HA GLU 72 HA GLU 72 1.380 -6.097 11.268 630 HB2 GLU 72 2HB GLU 72 -0.694 -6.812 12.479 631 HB3 GLU 72 1HB GLU 72 -0.888 -5.290 11.617 632 HG2 GLU 72 2HG GLU 72 -2.080 -6.411 9.808 633 HG3 GLU 72 1HG GLU 72 -1.819 -7.977 10.564 634 H LYS 73 H LYS 73 -0.179 -8.355 9.040 635 HA LYS 73 HA LYS 73 0.299 -10.700 10.637 636 HB2 LYS 73 2HB LYS 73 -0.602 -10.439 7.741 637 HB3 LYS 73 1HB LYS 73 -0.604 -11.935 8.668 638 HG2 LYS 73 2HG LYS 73 -2.300 -9.471 9.180 639 HG3 LYS 73 1HG LYS 73 -2.852 -11.051 8.613 640 HD2 LYS 73 2HD LYS 73 -2.169 -12.059 10.781 641 HD3 LYS 73 1HD LYS 73 -1.633 -10.474 11.346 642 HE2 LYS 73 2HE LYS 73 -3.814 -10.969 12.274 643 HE3 LYS 73 1HE LYS 73 -3.970 -9.640 11.127 644 HZ1 LYS 73 3HZ LYS 73 -4.778 -11.230 9.485 645 HZ2 LYS 73 1HZ LYS 73 -5.751 -11.229 10.866 646 HZ3 LYS 73 2HZ LYS 73 -4.646 -12.482 10.602 647 H GLY 74 H GLY 74 2.050 -9.000 8.136 648 HA2 GLY 74 2HA GLY 74 4.228 -9.184 7.438 649 HA3 GLY 74 1HA GLY 74 4.500 -10.229 8.820 650 H LEU 75 H LEU 75 2.175 -11.037 6.343 651 HA LEU 75 HA LEU 75 3.583 -13.529 5.856 652 HB2 LEU 75 2HB LEU 75 0.831 -12.569 5.012 653 HB3 LEU 75 1HB LEU 75 1.478 -14.150 4.602 654 HG LEU 75 HG LEU 75 0.891 -13.131 7.410 655 HD11 LEU 75 1HD1 LEU 75 -0.489 -15.295 5.788 656 HD12 LEU 75 2HD1 LEU 75 -1.140 -13.698 6.167 657 HD13 LEU 75 3HD1 LEU 75 -0.847 -14.855 7.460 658 HD21 LEU 75 3HD2 LEU 75 2.054 -15.797 6.525 659 HD22 LEU 75 1HD2 LEU 75 1.513 -15.413 8.164 660 HD23 LEU 75 2HD2 LEU 75 2.875 -14.543 7.457 661 HA PRO 76 HA PRO 76 5.378 -12.082 2.022 662 HB2 PRO 76 2HB PRO 76 5.761 -14.943 1.271 663 HB3 PRO 76 1HB PRO 76 6.977 -13.723 1.697 664 HG2 PRO 76 2HG PRO 76 6.430 -15.783 3.343 665 HG3 PRO 76 1HG PRO 76 6.856 -14.176 3.977 666 HD2 PRO 76 2HD PRO 76 4.117 -15.408 3.651 667 HD3 PRO 76 1HD PRO 76 4.821 -14.565 5.056 668 H GLY 77 H GLY 77 5.262 -12.676 -0.422 669 HA2 GLY 77 2HA GLY 77 2.718 -13.712 -1.351 670 HA3 GLY 77 1HA GLY 77 2.867 -11.964 -1.441 671 H GLN 78 H GLN 78 5.097 -11.275 -2.432 672 HA GLN 78 HA GLN 78 6.207 -10.941 -4.384 673 HB2 GLN 78 2HB GLN 78 7.333 -13.056 -3.556 674 HB3 GLN 78 1HB GLN 78 6.256 -13.985 -4.593 675 HG2 GLN 78 2HG GLN 78 7.221 -12.868 -6.580 676 HG3 GLN 78 1HG GLN 78 8.304 -11.946 -5.539 677 HE21 GLN 78 1HE2 GLN 78 7.544 -15.119 -6.774 678 HE22 GLN 78 2HE2 GLN 78 9.065 -15.850 -6.411 679 H ALA 79 H ALA 79 3.394 -10.963 -4.366 680 HA ALA 79 HA ALA 79 2.405 -11.989 -6.915 681 HB1 ALA 79 3HB ALA 79 1.022 -10.423 -4.705 682 HB2 ALA 79 1HB ALA 79 1.017 -12.178 -4.895 683 HB3 ALA 79 2HB ALA 79 0.228 -11.157 -6.099 684 H LEU 80 H LEU 80 4.496 -9.995 -7.025 685 HA LEU 80 HA LEU 80 4.156 -7.352 -7.249 686 HB2 LEU 80 2HB LEU 80 5.567 -9.149 -9.252 687 HB3 LEU 80 1HB LEU 80 5.808 -7.414 -9.174 688 HG LEU 80 HG LEU 80 6.519 -9.378 -6.949 689 HD11 LEU 80 1HD1 LEU 80 8.855 -8.935 -7.531 690 HD12 LEU 80 2HD1 LEU 80 8.356 -7.907 -8.875 691 HD13 LEU 80 3HD1 LEU 80 8.002 -9.636 -8.906 692 HD21 LEU 80 3HD2 LEU 80 7.648 -7.469 -5.907 693 HD22 LEU 80 1HD2 LEU 80 5.921 -7.168 -6.085 694 HD23 LEU 80 2HD2 LEU 80 7.066 -6.406 -7.191 695 H GLY 81 H GLY 81 2.583 -6.117 -8.071 696 HA2 GLY 81 2HA GLY 81 1.624 -5.082 -10.049 697 HA3 GLY 81 1HA GLY 81 1.455 -6.684 -10.767 698 H ASP 82 H ASP 82 0.670 -7.137 -7.618 699 HA ASP 82 HA ASP 82 -2.114 -7.466 -8.211 700 HB2 ASP 82 2HB ASP 82 -0.731 -8.998 -6.707 701 HB3 ASP 82 1HB ASP 82 -0.815 -7.752 -5.461 702 H TYR 83 H TYR 83 -3.868 -6.632 -6.810 703 HA TYR 83 HA TYR 83 -3.483 -3.727 -6.508 704 HB2 TYR 83 2HB TYR 83 -5.998 -5.349 -7.055 705 HB3 TYR 83 1HB TYR 83 -5.963 -3.602 -6.829 706 HD1 TYR 83 HD1 TYR 83 -5.010 -6.356 -9.122 707 HD2 TYR 83 HD2 TYR 83 -5.121 -2.115 -8.601 708 HE1 TYR 83 HE1 TYR 83 -4.538 -6.052 -11.515 709 HE2 TYR 83 HE2 TYR 83 -4.665 -1.813 -11.002 710 HH TYR 83 HH TYR 83 -3.603 -3.079 -12.842 711 H VAL 84 H VAL 84 -4.052 -2.624 -4.746 712 HA VAL 84 HA VAL 84 -5.057 -4.060 -2.343 713 HB VAL 84 HB VAL 84 -3.889 -2.418 -0.951 714 HG11 VAL 84 1HG1 VAL 84 -1.980 -3.588 -2.999 715 HG12 VAL 84 2HG1 VAL 84 -2.609 -4.410 -1.570 716 HG13 VAL 84 3HG1 VAL 84 -1.547 -3.014 -1.385 717 HG21 VAL 84 3HG2 VAL 84 -2.363 -0.713 -1.897 718 HG22 VAL 84 1HG2 VAL 84 -4.030 -0.445 -2.409 719 HG23 VAL 84 2HG2 VAL 84 -2.869 -1.160 -3.528 720 H GLU 85 H GLU 85 -6.343 -2.665 -0.840 721 HA GLU 85 HA GLU 85 -7.555 -0.262 -2.084 722 HB2 GLU 85 2HB GLU 85 -9.035 -2.321 -0.371 723 HB3 GLU 85 1HB GLU 85 -9.712 -0.810 -0.975 724 HG2 GLU 85 2HG GLU 85 -9.261 -1.666 -3.329 725 HG3 GLU 85 1HG GLU 85 -8.849 -3.215 -2.604 726 H ILE 86 H ILE 86 -6.712 1.367 -0.992 727 HA ILE 86 HA ILE 86 -5.870 1.248 1.760 728 HB ILE 86 HB ILE 86 -5.948 3.622 -0.176 729 HG12 ILE 86 2HG1 ILE 86 -3.599 1.782 0.485 730 HG13 ILE 86 1HG1 ILE 86 -4.531 1.717 -1.004 731 HG21 ILE 86 1HG2 ILE 86 -4.298 4.666 1.334 732 HG22 ILE 86 2HG2 ILE 86 -4.410 3.286 2.426 733 HG23 ILE 86 3HG2 ILE 86 -5.811 4.333 2.182 734 HD11 ILE 86 3HD1 ILE 86 -3.774 3.988 -1.562 735 HD12 ILE 86 1HD1 ILE 86 -2.443 2.849 -1.357 736 HD13 ILE 86 2HD1 ILE 86 -2.804 4.011 -0.082 737 H VAL 87 H VAL 87 -7.623 1.122 3.090 738 HA VAL 87 HA VAL 87 -10.050 2.606 2.786 739 HB VAL 87 HB VAL 87 -8.906 1.111 5.200 740 HG11 VAL 87 1HG1 VAL 87 -11.217 1.094 6.078 741 HG12 VAL 87 2HG1 VAL 87 -11.735 2.127 4.744 742 HG13 VAL 87 3HG1 VAL 87 -10.583 2.735 5.937 743 HG21 VAL 87 3HG2 VAL 87 -10.430 -0.715 4.532 744 HG22 VAL 87 1HG2 VAL 87 -9.259 -0.358 3.260 745 HG23 VAL 87 2HG2 VAL 87 -10.927 0.205 3.110 746 H LEU 88 H LEU 88 -10.155 4.727 3.077 747 HA LEU 88 HA LEU 88 -8.395 6.396 4.516 748 HB2 LEU 88 2HB LEU 88 -10.051 7.001 2.631 749 HB3 LEU 88 1HB LEU 88 -11.315 6.964 3.837 750 HG LEU 88 HG LEU 88 -10.517 9.268 3.196 751 HD11 LEU 88 1HD1 LEU 88 -11.671 8.965 5.332 752 HD12 LEU 88 2HD1 LEU 88 -10.465 10.244 5.422 753 HD13 LEU 88 3HD1 LEU 88 -10.130 8.664 6.140 754 HD21 LEU 88 3HD2 LEU 88 -8.376 10.116 4.038 755 HD22 LEU 88 1HD2 LEU 88 -8.142 8.797 2.890 756 HD23 LEU 88 2HD2 LEU 88 -7.953 8.504 4.620 757 H GLU 89 H GLU 89 -8.129 5.379 6.459 758 HA GLU 89 HA GLU 89 -10.223 4.739 8.295 759 HB2 GLU 89 2HB GLU 89 -8.238 3.408 8.288 760 HB3 GLU 89 1HB GLU 89 -7.187 4.809 8.417 761 HG2 GLU 89 2HG GLU 89 -8.873 4.818 10.743 762 HG3 GLU 89 1HG GLU 89 -8.295 3.168 10.529 763 H HIS 90 H HIS 90 -7.514 7.051 8.502 764 HA HIS 90 HA HIS 90 -7.160 8.995 9.545 765 HB2 HIS 90 2HB HIS 90 -8.813 9.856 7.950 766 HB3 HIS 90 1HB HIS 90 -10.134 9.415 9.022 767 HD1 HIS 90 HD1 HIS 90 -10.619 10.990 11.021 768 HD2 HIS 90 HD2 HIS 90 -7.429 12.249 8.666 769 HE1 HIS 90 HE1 HIS 90 -10.153 13.364 11.712 770 HE2 HIS 90 HE2 HIS 90 -8.214 14.090 10.293 771 H HIS 91 H HIS 91 -6.642 7.800 11.477 772 HA HIS 91 HA HIS 91 -8.598 7.988 13.658 773 HB2 HIS 91 2HB HIS 91 -7.193 6.617 14.999 774 HB3 HIS 91 1HB HIS 91 -7.181 5.893 13.401 775 HD1 HIS 91 HD1 HIS 91 -4.911 5.620 12.264 776 HD2 HIS 91 HD2 HIS 91 -4.691 7.740 15.834 777 HE1 HIS 91 HE1 HIS 91 -2.461 5.810 12.794 778 HE2 HIS 91 HE2 HIS 91 -2.385 6.929 15.045 Start of MODEL 2 1 H1 MET 1 1H MET 1 -15.730 4.329 1.654 2 H2 MET 1 2H MET 1 -15.819 4.163 -0.024 3 H3 MET 1 3H MET 1 -16.572 5.468 0.742 4 HA MET 1 HA MET 1 -14.541 6.082 -0.378 5 HB2 MET 1 2HB MET 1 -14.516 6.339 2.661 6 HB3 MET 1 1HB MET 1 -13.503 7.290 1.576 7 HG2 MET 1 2HG MET 1 -16.524 7.342 1.773 8 HG3 MET 1 1HG MET 1 -15.393 8.636 2.187 9 HE1 MET 1 3HE MET 1 -17.930 9.087 0.298 10 HE2 MET 1 1HE MET 1 -17.237 10.028 -1.022 11 HE3 MET 1 2HE MET 1 -16.786 10.387 0.644 12 H ARG 2 H ARG 2 -13.159 4.745 -1.299 13 HA ARG 2 HA ARG 2 -10.922 3.672 0.212 14 HB2 ARG 2 2HB ARG 2 -11.109 1.415 -0.866 15 HB3 ARG 2 1HB ARG 2 -12.443 1.749 0.231 16 HG2 ARG 2 2HG ARG 2 -13.902 2.291 -1.691 17 HG3 ARG 2 1HG ARG 2 -12.571 1.965 -2.799 18 HD2 ARG 2 2HD ARG 2 -14.025 0.060 -2.787 19 HD3 ARG 2 1HD ARG 2 -12.535 -0.396 -1.959 20 HE ARG 2 HE ARG 2 -13.928 0.162 0.158 21 HH11 ARG 2 1HH1 ARG 2 -15.219 -1.381 -2.742 22 HH12 ARG 2 2HH1 ARG 2 -16.455 -2.229 -1.876 23 HH21 ARG 2 1HH2 ARG 2 -15.584 -0.953 1.251 24 HH22 ARG 2 2HH2 ARG 2 -16.659 -1.986 0.372 25 H ILE 3 H ILE 3 -9.074 3.660 -1.011 26 HA ILE 3 HA ILE 3 -9.178 4.615 -3.818 27 HB ILE 3 HB ILE 3 -6.974 4.940 -1.714 28 HG12 ILE 3 2HG1 ILE 3 -8.784 7.053 -2.975 29 HG13 ILE 3 1HG1 ILE 3 -8.919 6.446 -1.330 30 HG21 ILE 3 1HG2 ILE 3 -7.010 5.935 -4.587 31 HG22 ILE 3 2HG2 ILE 3 -5.980 4.655 -3.946 32 HG23 ILE 3 3HG2 ILE 3 -5.769 6.315 -3.390 33 HD11 ILE 3 3HD1 ILE 3 -7.864 8.607 -1.349 34 HD12 ILE 3 1HD1 ILE 3 -6.619 8.042 -2.461 35 HD13 ILE 3 2HD1 ILE 3 -6.706 7.388 -0.822 36 H LYS 4 H LYS 4 -8.218 3.246 -5.351 37 HA LYS 4 HA LYS 4 -7.156 0.673 -4.424 38 HB2 LYS 4 2HB LYS 4 -7.774 1.708 -7.220 39 HB3 LYS 4 1HB LYS 4 -7.069 0.120 -6.904 40 HG2 LYS 4 2HG LYS 4 -9.080 -0.507 -5.608 41 HG3 LYS 4 1HG LYS 4 -9.788 1.079 -5.953 42 HD2 LYS 4 2HD LYS 4 -9.708 0.579 -8.377 43 HD3 LYS 4 1HD LYS 4 -9.012 -1.007 -8.036 44 HE2 LYS 4 2HE LYS 4 -11.419 -1.167 -8.504 45 HE3 LYS 4 1HE LYS 4 -11.067 -1.650 -6.845 46 HZ1 LYS 4 3HZ LYS 4 -11.769 0.549 -6.106 47 HZ2 LYS 4 1HZ LYS 4 -13.003 -0.247 -6.939 48 HZ3 LYS 4 2HZ LYS 4 -12.132 0.983 -7.700 49 H GLY 5 H GLY 5 -5.078 0.147 -4.432 50 HA2 GLY 5 2HA GLY 5 -3.073 1.904 -5.762 51 HA3 GLY 5 1HA GLY 5 -2.816 1.153 -4.188 52 H VAL 6 H VAL 6 -1.052 0.736 -6.270 53 HA VAL 6 HA VAL 6 -1.526 -2.061 -7.116 54 HB VAL 6 HB VAL 6 0.310 0.069 -8.317 55 HG11 VAL 6 1HG1 VAL 6 0.823 -1.589 -10.098 56 HG12 VAL 6 2HG1 VAL 6 -0.102 -2.810 -9.218 57 HG13 VAL 6 3HG1 VAL 6 1.373 -2.145 -8.513 58 HG21 VAL 6 3HG2 VAL 6 -1.179 -0.080 -10.302 59 HG22 VAL 6 1HG2 VAL 6 -2.063 0.438 -8.862 60 HG23 VAL 6 2HG2 VAL 6 -2.210 -1.225 -9.437 61 H VAL 7 H VAL 7 -0.334 -3.551 -6.129 62 HA VAL 7 HA VAL 7 1.725 -3.133 -4.241 63 HB VAL 7 HB VAL 7 1.097 -5.678 -5.834 64 HG11 VAL 7 1HG1 VAL 7 3.300 -5.819 -4.734 65 HG12 VAL 7 2HG1 VAL 7 2.154 -6.918 -3.965 66 HG13 VAL 7 3HG1 VAL 7 2.572 -5.392 -3.183 67 HG21 VAL 7 3HG2 VAL 7 -0.917 -4.883 -4.661 68 HG22 VAL 7 1HG2 VAL 7 -0.027 -4.809 -3.138 69 HG23 VAL 7 2HG2 VAL 7 -0.317 -6.367 -3.917 70 H LEU 8 H LEU 8 3.378 -1.878 -5.107 71 HA LEU 8 HA LEU 8 4.545 -2.319 -7.687 72 HB2 LEU 8 2HB LEU 8 5.700 -0.741 -5.353 73 HB3 LEU 8 1HB LEU 8 6.218 -0.644 -7.031 74 HG LEU 8 HG LEU 8 3.570 0.318 -5.880 75 HD11 LEU 8 1HD1 LEU 8 5.883 1.859 -7.093 76 HD12 LEU 8 2HD1 LEU 8 5.423 1.807 -5.389 77 HD13 LEU 8 3HD1 LEU 8 4.345 2.548 -6.565 78 HD21 LEU 8 3HD2 LEU 8 3.015 1.141 -8.143 79 HD22 LEU 8 1HD2 LEU 8 3.124 -0.617 -8.089 80 HD23 LEU 8 2HD2 LEU 8 4.441 0.325 -8.794 81 H SER 9 H SER 9 5.667 -2.913 -4.345 82 HA SER 9 HA SER 9 7.107 -5.306 -5.100 83 HB2 SER 9 2HB SER 9 9.344 -4.479 -4.314 84 HB3 SER 9 1HB SER 9 8.784 -3.633 -5.758 85 HG SER 9 HG SER 9 9.652 -2.449 -3.745 86 H TYR 10 H TYR 10 7.781 -6.554 -3.285 87 HA TYR 10 HA TYR 10 6.707 -5.810 -0.654 88 HB2 TYR 10 2HB TYR 10 8.107 -8.384 -1.532 89 HB3 TYR 10 1HB TYR 10 7.371 -8.107 0.042 90 HD1 TYR 10 HD2 TYR 10 4.865 -7.976 0.253 91 HD2 TYR 10 HD1 TYR 10 6.744 -8.956 -3.462 92 HE1 TYR 10 HE2 TYR 10 2.732 -8.856 -0.605 93 HE2 TYR 10 HE1 TYR 10 4.620 -9.827 -4.308 94 HH TYR 10 HH TYR 10 1.679 -9.239 -2.832 95 H ARG 11 H ARG 11 8.022 -4.395 0.350 96 HA ARG 11 HA ARG 11 10.921 -4.468 0.108 97 HB2 ARG 11 2HB ARG 11 9.762 -2.299 0.132 98 HB3 ARG 11 1HB ARG 11 9.030 -2.673 1.685 99 HG2 ARG 11 2HG ARG 11 10.882 -1.086 1.943 100 HG3 ARG 11 1HG ARG 11 11.224 -2.603 2.778 101 HD2 ARG 11 2HD ARG 11 13.226 -1.812 1.650 102 HD3 ARG 11 1HD ARG 11 12.676 -3.302 0.884 103 HE ARG 11 HE ARG 11 12.348 -0.569 -0.224 104 HH11 ARG 11 1HH1 ARG 11 12.604 -4.035 -0.786 105 HH12 ARG 11 2HH1 ARG 11 12.630 -3.870 -2.508 106 HH21 ARG 11 1HH2 ARG 11 12.404 -0.396 -2.504 107 HH22 ARG 11 2HH2 ARG 11 12.515 -1.829 -3.475 108 H ARG 12 H ARG 12 11.968 -6.009 1.295 109 HA ARG 12 HA ARG 12 10.948 -7.105 3.749 110 HB2 ARG 12 2HB ARG 12 13.698 -7.370 2.462 111 HB3 ARG 12 1HB ARG 12 13.166 -8.269 3.882 112 HG2 ARG 12 2HG ARG 12 11.323 -9.266 2.481 113 HG3 ARG 12 1HG ARG 12 12.030 -8.472 1.069 114 HD2 ARG 12 2HD ARG 12 12.739 -10.838 1.239 115 HD3 ARG 12 1HD ARG 12 14.111 -9.733 1.375 116 HE ARG 12 HE ARG 12 13.211 -10.283 3.970 117 HH11 ARG 12 1HH1 ARG 12 14.707 -12.072 1.333 118 HH12 ARG 12 2HH1 ARG 12 15.485 -13.205 2.390 119 HH21 ARG 12 1HH2 ARG 12 14.243 -11.764 5.334 120 HH22 ARG 12 2HH2 ARG 12 15.221 -13.031 4.661 121 H SER 13 H SER 13 11.825 -6.865 5.812 122 HA SER 13 HA SER 13 13.480 -4.492 6.385 123 HB2 SER 13 2HB SER 13 11.070 -3.809 6.500 124 HB3 SER 13 1HB SER 13 10.775 -5.077 7.691 125 HG SER 13 HG SER 13 12.162 -4.010 9.108 126 H LYS 14 H LYS 14 14.379 -4.534 8.561 127 HA LYS 14 HA LYS 14 15.098 -7.197 9.438 128 HB2 LYS 14 2HB LYS 14 15.890 -4.483 10.590 129 HB3 LYS 14 1HB LYS 14 16.582 -6.033 11.065 130 HG2 LYS 14 2HG LYS 14 16.794 -4.727 8.330 131 HG3 LYS 14 1HG LYS 14 18.083 -4.865 9.531 132 HD2 LYS 14 2HD LYS 14 18.014 -7.346 9.305 133 HD3 LYS 14 1HD LYS 14 16.732 -7.199 8.098 134 HE2 LYS 14 2HE LYS 14 18.881 -7.558 6.994 135 HE3 LYS 14 1HE LYS 14 18.292 -5.936 6.631 136 HZ1 LYS 14 3HZ LYS 14 20.631 -5.900 7.151 137 HZ2 LYS 14 1HZ LYS 14 20.355 -6.634 8.650 138 HZ3 LYS 14 2HZ LYS 14 19.776 -5.074 8.352 139 H GLU 15 H GLU 15 12.994 -7.851 9.937 140 HA GLU 15 HA GLU 15 11.313 -6.750 11.918 141 HB2 GLU 15 2HB GLU 15 10.213 -9.070 11.810 142 HB3 GLU 15 1HB GLU 15 10.300 -8.162 10.306 143 HG2 GLU 15 2HG GLU 15 12.209 -9.509 9.564 144 HG3 GLU 15 1HG GLU 15 12.205 -10.387 11.094 145 H ASN 16 H ASN 16 11.304 -6.924 14.083 146 HA ASN 16 HA ASN 16 13.389 -8.109 15.591 147 HB2 ASN 16 2HB ASN 16 12.178 -6.204 16.505 148 HB3 ASN 16 1HB ASN 16 10.646 -7.064 16.411 149 HD21 ASN 16 1HD2 ASN 16 13.732 -6.907 18.116 150 HD22 ASN 16 2HD2 ASN 16 13.193 -7.731 19.538 151 H GLN 17 H GLN 17 9.985 -9.039 15.175 152 HA GLN 17 HA GLN 17 10.648 -11.866 15.782 153 HB2 GLN 17 2HB GLN 17 9.180 -10.839 17.491 154 HB3 GLN 17 1HB GLN 17 8.028 -10.373 16.245 155 HG2 GLN 17 2HG GLN 17 7.567 -12.742 15.764 156 HG3 GLN 17 1HG GLN 17 8.774 -13.227 16.952 157 HE21 GLN 17 1HE2 GLN 17 7.995 -11.189 18.936 158 HE22 GLN 17 2HE2 GLN 17 6.484 -11.717 19.571 159 H HIS 18 H HIS 18 7.996 -10.016 14.158 160 HA HIS 18 HA HIS 18 8.762 -10.998 11.569 161 HB2 HIS 18 2HB HIS 18 7.526 -12.984 12.445 162 HB3 HIS 18 1HB HIS 18 6.094 -11.977 12.675 163 HD1 HIS 18 HD1 HIS 18 8.479 -12.496 9.741 164 HD2 HIS 18 HD2 HIS 18 4.409 -12.430 10.572 165 HE1 HIS 18 HE1 HIS 18 7.339 -12.855 7.543 166 HE2 HIS 18 HE2 HIS 18 4.891 -12.599 8.045 167 H ASN 19 H ASN 19 8.455 -9.359 10.257 168 HA ASN 19 HA ASN 19 6.043 -7.736 10.120 169 HB2 ASN 19 2HB ASN 19 8.766 -6.429 10.683 170 HB3 ASN 19 1HB ASN 19 7.328 -5.553 10.193 171 HD21 ASN 19 1HD2 ASN 19 5.368 -6.410 11.771 172 HD22 ASN 19 2HD2 ASN 19 5.754 -6.145 13.432 173 H ASN 20 H ASN 20 5.751 -7.172 7.934 174 HA ASN 20 HA ASN 20 8.129 -6.951 6.198 175 HB2 ASN 20 2HB ASN 20 7.319 -9.222 5.758 176 HB3 ASN 20 1HB ASN 20 5.684 -8.633 5.497 177 HD21 ASN 20 1HD2 ASN 20 8.954 -8.645 4.170 178 HD22 ASN 20 2HD2 ASN 20 8.498 -8.295 2.543 179 H VAL 21 H VAL 21 7.982 -5.463 4.613 180 HA VAL 21 HA VAL 21 5.791 -3.490 4.779 181 HB VAL 21 HB VAL 21 8.607 -3.199 3.621 182 HG11 VAL 21 1HG1 VAL 21 8.171 -0.780 3.633 183 HG12 VAL 21 2HG1 VAL 21 6.531 -1.076 4.220 184 HG13 VAL 21 3HG1 VAL 21 7.009 -1.636 2.616 185 HG21 VAL 21 3HG2 VAL 21 8.698 -3.569 6.065 186 HG22 VAL 21 1HG2 VAL 21 7.601 -2.204 6.311 187 HG23 VAL 21 2HG2 VAL 21 9.212 -1.937 5.629 188 H MET 22 H MET 22 4.849 -2.734 2.857 189 HA MET 22 HA MET 22 5.599 -3.969 0.283 190 HB2 MET 22 2HB MET 22 3.506 -5.004 1.144 191 HB3 MET 22 1HB MET 22 2.783 -3.411 1.312 192 HG2 MET 22 2HG MET 22 2.980 -3.105 -1.134 193 HG3 MET 22 1HG MET 22 3.582 -4.756 -1.278 194 HE1 MET 22 3HE MET 22 0.361 -6.734 0.008 195 HE2 MET 22 1HE MET 22 1.675 -6.152 1.029 196 HE3 MET 22 2HE MET 22 2.030 -6.912 -0.524 197 H ILE 23 H ILE 23 6.253 -2.393 -1.045 198 HA ILE 23 HA ILE 23 5.526 0.402 -0.723 199 HB ILE 23 HB ILE 23 7.122 -0.943 -2.965 200 HG12 ILE 23 2HG1 ILE 23 8.284 -1.211 -0.796 201 HG13 ILE 23 1HG1 ILE 23 9.160 -0.078 -1.816 202 HG21 ILE 23 1HG2 ILE 23 6.861 2.019 -2.282 203 HG22 ILE 23 2HG2 ILE 23 6.182 1.212 -3.697 204 HG23 ILE 23 3HG2 ILE 23 7.931 1.341 -3.515 205 HD11 ILE 23 3HD1 ILE 23 9.135 0.662 0.482 206 HD12 ILE 23 1HD1 ILE 23 7.373 0.633 0.513 207 HD13 ILE 23 2HD1 ILE 23 8.221 1.792 -0.516 208 H ILE 24 H ILE 24 3.706 1.194 -1.540 209 HA ILE 24 HA ILE 24 2.294 -0.146 -3.790 210 HB ILE 24 HB ILE 24 1.069 1.197 -1.328 211 HG12 ILE 24 2HG1 ILE 24 1.045 -1.766 -2.062 212 HG13 ILE 24 1HG1 ILE 24 2.084 -1.042 -0.839 213 HG21 ILE 24 1HG2 ILE 24 -0.359 1.530 -3.303 214 HG22 ILE 24 2HG2 ILE 24 -1.130 0.435 -2.158 215 HG23 ILE 24 3HG2 ILE 24 -0.364 -0.208 -3.612 216 HD11 ILE 24 3HD1 ILE 24 0.097 -0.404 0.452 217 HD12 ILE 24 1HD1 ILE 24 0.208 -2.143 0.186 218 HD13 ILE 24 2HD1 ILE 24 -0.929 -1.182 -0.760 219 H LYS 25 H LYS 25 1.239 1.304 -5.262 220 HA LYS 25 HA LYS 25 1.518 4.213 -4.748 221 HB2 LYS 25 2HB LYS 25 2.927 3.699 -6.652 222 HB3 LYS 25 1HB LYS 25 1.655 2.741 -7.406 223 HG2 LYS 25 2HG LYS 25 0.277 4.810 -7.645 224 HG3 LYS 25 1HG LYS 25 1.606 5.752 -6.964 225 HD2 LYS 25 2HD LYS 25 3.002 5.318 -8.870 226 HD3 LYS 25 1HD LYS 25 1.903 4.075 -9.483 227 HE2 LYS 25 2HE LYS 25 1.726 6.227 -10.732 228 HE3 LYS 25 1HE LYS 25 0.206 5.756 -9.972 229 HZ1 LYS 25 3HZ LYS 25 0.671 8.103 -9.681 230 HZ2 LYS 25 1HZ LYS 25 2.126 7.755 -8.901 231 HZ3 LYS 25 2HZ LYS 25 0.653 7.322 -8.185 232 HA PRO 26 HA PRO 26 -3.092 3.860 -4.936 233 HB2 PRO 26 2HB PRO 26 -2.780 6.768 -4.263 234 HB3 PRO 26 1HB PRO 26 -3.781 5.536 -3.470 235 HG2 PRO 26 2HG PRO 26 -1.556 6.494 -2.306 236 HG3 PRO 26 1HG PRO 26 -2.058 4.800 -2.114 237 HD2 PRO 26 2HD PRO 26 0.104 5.932 -3.858 238 HD3 PRO 26 1HD PRO 26 0.077 4.411 -2.940 239 H LEU 27 H LEU 27 -3.991 4.028 -6.930 240 HA LEU 27 HA LEU 27 -2.817 5.299 -9.156 241 HB2 LEU 27 2HB LEU 27 -5.649 4.278 -8.735 242 HB3 LEU 27 1HB LEU 27 -5.028 4.811 -10.294 243 HG LEU 27 HG LEU 27 -3.957 2.453 -8.689 244 HD11 LEU 27 1HD1 LEU 27 -4.939 1.065 -10.464 245 HD12 LEU 27 2HD1 LEU 27 -5.653 2.504 -11.196 246 HD13 LEU 27 3HD1 LEU 27 -6.162 1.984 -9.587 247 HD21 LEU 27 3HD2 LEU 27 -2.158 3.478 -10.000 248 HD22 LEU 27 1HD2 LEU 27 -3.159 3.446 -11.457 249 HD23 LEU 27 2HD2 LEU 27 -2.621 1.936 -10.714 250 H ASP 28 H ASP 28 -5.294 6.335 -6.898 251 HA ASP 28 HA ASP 28 -6.266 8.644 -8.191 252 HB2 ASP 28 2HB ASP 28 -7.347 7.507 -6.236 253 HB3 ASP 28 1HB ASP 28 -6.039 8.060 -5.196 254 H VAL 29 H VAL 29 -3.309 8.018 -6.515 255 HA VAL 29 HA VAL 29 -2.707 10.879 -6.064 256 HB VAL 29 HB VAL 29 -1.676 8.365 -4.681 257 HG11 VAL 29 1HG1 VAL 29 0.130 10.011 -4.808 258 HG12 VAL 29 2HG1 VAL 29 -0.459 9.878 -3.154 259 HG13 VAL 29 3HG1 VAL 29 -0.930 11.254 -4.145 260 HG21 VAL 29 3HG2 VAL 29 -3.971 8.975 -3.999 261 HG22 VAL 29 1HG2 VAL 29 -3.428 10.612 -3.608 262 HG23 VAL 29 2HG2 VAL 29 -2.829 9.238 -2.678 263 H ASN 30 H ASN 30 -1.049 11.761 -7.110 264 HA ASN 30 HA ASN 30 1.088 10.113 -8.346 265 HB2 ASN 30 2HB ASN 30 -0.319 12.539 -9.575 266 HB3 ASN 30 1HB ASN 30 1.108 11.766 -10.257 267 HD21 ASN 30 1HD2 ASN 30 -1.573 12.143 -11.403 268 HD22 ASN 30 2HD2 ASN 30 -2.148 10.565 -11.813 269 H SER 31 H SER 31 0.737 11.872 -5.801 270 HA SER 31 HA SER 31 3.241 13.393 -6.054 271 HB2 SER 31 2HB SER 31 0.629 14.657 -5.112 272 HB3 SER 31 1HB SER 31 2.221 15.428 -5.076 273 HG SER 31 HG SER 31 2.183 14.893 -7.455 274 H ARG 32 H ARG 32 4.182 13.988 -4.027 275 HA ARG 32 HA ARG 32 4.242 11.863 -2.190 276 HB2 ARG 32 2HB ARG 32 6.209 13.261 -2.601 277 HB3 ARG 32 1HB ARG 32 5.386 14.677 -1.967 278 HG2 ARG 32 2HG ARG 32 5.376 13.686 0.282 279 HG3 ARG 32 1HG ARG 32 6.128 12.218 -0.342 280 HD2 ARG 32 2HD ARG 32 8.171 13.408 -0.856 281 HD3 ARG 32 1HD ARG 32 7.415 14.964 -0.493 282 HE ARG 32 HE ARG 32 7.533 13.010 1.681 283 HH11 ARG 32 1HH1 ARG 32 8.944 15.902 0.253 284 HH12 ARG 32 2HH1 ARG 32 9.750 16.369 1.712 285 HH21 ARG 32 1HH2 ARG 32 8.557 13.673 3.587 286 HH22 ARG 32 2HH2 ARG 32 9.535 15.106 3.595 287 H GLU 33 H GLU 33 2.862 15.183 -1.830 288 HA GLU 33 HA GLU 33 2.130 14.767 0.944 289 HB2 GLU 33 2HB GLU 33 1.206 17.016 -0.889 290 HB3 GLU 33 1HB GLU 33 1.109 16.983 0.871 291 HG2 GLU 33 2HG GLU 33 3.574 16.984 1.013 292 HG3 GLU 33 1HG GLU 33 3.675 17.025 -0.753 293 H GLU 34 H GLU 34 0.492 14.520 -2.144 294 HA GLU 34 HA GLU 34 -2.161 14.163 -1.178 295 HB2 GLU 34 2HB GLU 34 -0.836 13.246 -3.764 296 HB3 GLU 34 1HB GLU 34 -2.561 13.087 -3.444 297 HG2 GLU 34 2HG GLU 34 -1.029 15.707 -3.556 298 HG3 GLU 34 1HG GLU 34 -2.035 15.053 -4.848 299 H ALA 35 H ALA 35 0.592 12.045 -1.438 300 HA ALA 35 HA ALA 35 -0.858 9.628 -0.688 301 HB1 ALA 35 3HB ALA 35 2.108 10.234 -0.989 302 HB2 ALA 35 1HB ALA 35 1.066 9.476 -2.194 303 HB3 ALA 35 2HB ALA 35 1.429 8.636 -0.689 304 H SER 36 H SER 36 0.929 12.224 0.792 305 HA SER 36 HA SER 36 1.472 10.852 3.294 306 HB2 SER 36 2HB SER 36 3.126 12.390 2.150 307 HB3 SER 36 1HB SER 36 2.077 13.748 2.567 308 HG SER 36 HG SER 36 2.433 12.421 4.791 309 H LYS 37 H LYS 37 -1.118 12.693 2.044 310 HA LYS 37 HA LYS 37 -2.178 13.462 4.647 311 HB2 LYS 37 2HB LYS 37 -4.191 14.125 3.434 312 HB3 LYS 37 1HB LYS 37 -2.779 14.725 2.569 313 HG2 LYS 37 2HG LYS 37 -2.969 12.810 0.989 314 HG3 LYS 37 1HG LYS 37 -4.431 12.287 1.828 315 HD2 LYS 37 2HD LYS 37 -5.516 14.459 1.220 316 HD3 LYS 37 1HD LYS 37 -4.055 14.920 0.338 317 HE2 LYS 37 2HE LYS 37 -4.370 12.924 -1.135 318 HE3 LYS 37 1HE LYS 37 -5.881 12.576 -0.290 319 HZ1 LYS 37 3HZ LYS 37 -6.727 14.715 -1.029 320 HZ2 LYS 37 1HZ LYS 37 -6.269 13.752 -2.342 321 HZ3 LYS 37 2HZ LYS 37 -5.279 15.029 -1.845 322 H LEU 38 H LEU 38 -1.984 10.622 2.715 323 HA LEU 38 HA LEU 38 -4.321 9.282 3.836 324 HB2 LEU 38 2HB LEU 38 -2.163 8.162 2.005 325 HB3 LEU 38 1HB LEU 38 -3.716 7.421 2.364 326 HG LEU 38 HG LEU 38 -3.234 9.939 0.718 327 HD11 LEU 38 1HD1 LEU 38 -4.152 8.622 -1.146 328 HD12 LEU 38 2HD1 LEU 38 -4.256 7.203 -0.100 329 HD13 LEU 38 3HD1 LEU 38 -2.682 7.905 -0.487 330 HD21 LEU 38 3HD2 LEU 38 -5.296 10.243 1.992 331 HD22 LEU 38 1HD2 LEU 38 -5.900 8.674 1.453 332 HD23 LEU 38 2HD2 LEU 38 -5.663 9.984 0.290 333 H ILE 39 H ILE 39 -1.414 9.980 5.146 334 HA ILE 39 HA ILE 39 -0.425 7.544 6.178 335 HB ILE 39 HB ILE 39 -0.279 10.293 7.518 336 HG12 ILE 39 2HG1 ILE 39 0.748 10.457 5.320 337 HG13 ILE 39 1HG1 ILE 39 2.031 10.430 6.517 338 HG21 ILE 39 1HG2 ILE 39 1.702 9.387 8.727 339 HG22 ILE 39 2HG2 ILE 39 1.406 7.801 8.013 340 HG23 ILE 39 3HG2 ILE 39 0.227 8.504 9.121 341 HD11 ILE 39 3HD1 ILE 39 2.676 9.134 4.641 342 HD12 ILE 39 1HD1 ILE 39 1.180 8.204 4.690 343 HD13 ILE 39 2HD1 ILE 39 2.373 8.025 5.978 344 H GLY 40 H GLY 40 -1.447 6.168 7.478 345 HA2 GLY 40 2HA GLY 40 -2.288 5.642 9.652 346 HA3 GLY 40 1HA GLY 40 -3.171 7.157 9.673 347 H ARG 41 H ARG 41 -3.674 6.137 6.615 348 HA ARG 41 HA ARG 41 -6.186 4.803 7.179 349 HB2 ARG 41 2HB ARG 41 -4.803 5.362 4.512 350 HB3 ARG 41 1HB ARG 41 -6.412 4.652 4.680 351 HG2 ARG 41 2HG ARG 41 -7.120 6.749 5.890 352 HG3 ARG 41 1HG ARG 41 -5.548 7.449 5.488 353 HD2 ARG 41 2HD ARG 41 -6.088 7.128 3.058 354 HD3 ARG 41 1HD ARG 41 -7.689 6.536 3.526 355 HE ARG 41 HE ARG 41 -6.809 9.213 4.379 356 HH11 ARG 41 1HH1 ARG 41 -9.040 7.320 2.456 357 HH12 ARG 41 2HH1 ARG 41 -10.085 8.661 2.136 358 HH21 ARG 41 1HH2 ARG 41 -8.189 10.947 3.960 359 HH22 ARG 41 2HH2 ARG 41 -9.603 10.710 2.986 360 H LEU 42 H LEU 42 -6.693 2.706 6.514 361 HA LEU 42 HA LEU 42 -4.538 0.765 6.854 362 HB2 LEU 42 2HB LEU 42 -6.717 0.720 8.157 363 HB3 LEU 42 1HB LEU 42 -7.549 0.339 6.663 364 HG LEU 42 HG LEU 42 -6.267 -1.816 6.531 365 HD11 LEU 42 1HD1 LEU 42 -4.994 -2.590 8.505 366 HD12 LEU 42 2HD1 LEU 42 -5.156 -0.986 9.228 367 HD13 LEU 42 3HD1 LEU 42 -4.251 -1.193 7.727 368 HD21 LEU 42 3HD2 LEU 42 -7.455 -2.958 8.355 369 HD22 LEU 42 1HD2 LEU 42 -8.490 -1.782 7.548 370 HD23 LEU 42 2HD2 LEU 42 -7.789 -1.405 9.125 371 H VAL 43 H VAL 43 -4.484 -1.101 5.439 372 HA VAL 43 HA VAL 43 -5.437 -0.688 2.678 373 HB VAL 43 HB VAL 43 -2.683 -1.745 3.513 374 HG11 VAL 43 1HG1 VAL 43 -3.548 -2.877 1.509 375 HG12 VAL 43 2HG1 VAL 43 -2.188 -1.833 1.097 376 HG13 VAL 43 3HG1 VAL 43 -3.836 -1.315 0.738 377 HG21 VAL 43 3HG2 VAL 43 -3.366 0.869 2.100 378 HG22 VAL 43 1HG2 VAL 43 -1.734 0.272 2.423 379 HG23 VAL 43 2HG2 VAL 43 -2.796 0.715 3.763 380 H LEU 44 H LEU 44 -6.809 -2.277 2.323 381 HA LEU 44 HA LEU 44 -6.685 -4.868 3.686 382 HB2 LEU 44 2HB LEU 44 -8.872 -3.573 2.000 383 HB3 LEU 44 1HB LEU 44 -9.013 -5.123 2.818 384 HG LEU 44 HG LEU 44 -8.704 -2.419 4.193 385 HD11 LEU 44 1HD1 LEU 44 -10.907 -2.678 3.169 386 HD12 LEU 44 2HD1 LEU 44 -11.021 -2.729 4.925 387 HD13 LEU 44 3HD1 LEU 44 -11.133 -4.225 3.991 388 HD21 LEU 44 3HD2 LEU 44 -7.652 -4.183 5.515 389 HD22 LEU 44 1HD2 LEU 44 -9.111 -5.174 5.409 390 HD23 LEU 44 2HD2 LEU 44 -9.138 -3.641 6.287 391 H TRP 45 H TRP 45 -5.459 -6.294 2.594 392 HA TRP 45 HA TRP 45 -5.955 -6.799 -0.255 393 HB2 TRP 45 2HB TRP 45 -4.017 -5.235 -0.192 394 HB3 TRP 45 1HB TRP 45 -3.165 -6.323 0.907 395 HD1 TRP 45 HD1 TRP 45 -4.423 -6.186 -2.749 396 HE1 TRP 45 HE1 TRP 45 -3.010 -7.792 -4.151 397 HE3 TRP 45 HE3 TRP 45 -1.656 -8.326 0.976 398 HZ2 TRP 45 HZ2 TRP 45 -1.025 -9.712 -3.757 399 HZ3 TRP 45 HZ3 TRP 45 -0.019 -10.062 0.370 400 HH2 TRP 45 HH2 TRP 45 0.290 -10.740 -1.949 401 H LYS 46 H LYS 46 -6.269 -8.944 -0.490 402 HA LYS 46 HA LYS 46 -5.461 -10.831 1.594 403 HB2 LYS 46 2HB LYS 46 -7.754 -10.935 0.675 404 HB3 LYS 46 1HB LYS 46 -7.106 -11.231 -0.933 405 HG2 LYS 46 2HG LYS 46 -6.184 -13.398 -0.162 406 HG3 LYS 46 1HG LYS 46 -6.816 -13.086 1.457 407 HD2 LYS 46 2HD LYS 46 -8.295 -14.621 0.263 408 HD3 LYS 46 1HD LYS 46 -9.127 -13.092 0.553 409 HE2 LYS 46 2HE LYS 46 -9.601 -13.904 -1.713 410 HE3 LYS 46 1HE LYS 46 -8.655 -12.418 -1.808 411 HZ1 LYS 46 3HZ LYS 46 -7.709 -15.195 -2.211 412 HZ2 LYS 46 1HZ LYS 46 -6.661 -13.877 -2.058 413 HZ3 LYS 46 2HZ LYS 46 -7.753 -13.941 -3.344 414 H SER 47 H SER 47 -3.847 -12.292 1.371 415 HA SER 47 HA SER 47 -1.911 -12.108 -0.733 416 HB2 SER 47 2HB SER 47 -0.748 -13.920 0.544 417 HB3 SER 47 1HB SER 47 -1.254 -12.606 1.604 418 HG SER 47 HG SER 47 -2.531 -13.926 2.623 419 HA PRO 48 HA PRO 48 -3.343 -15.637 -3.311 420 HB2 PRO 48 2HB PRO 48 -0.892 -16.684 -4.114 421 HB3 PRO 48 1HB PRO 48 -1.666 -15.275 -4.864 422 HG2 PRO 48 2HG PRO 48 0.532 -15.351 -2.823 423 HG3 PRO 48 1HG PRO 48 0.343 -14.291 -4.238 424 HD2 PRO 48 2HD PRO 48 -0.240 -13.447 -1.716 425 HD3 PRO 48 1HD PRO 48 -1.121 -12.847 -3.136 426 H SER 49 H SER 49 -1.445 -15.918 -0.442 427 HA SER 49 HA SER 49 -1.646 -18.746 -0.052 428 HB2 SER 49 2HB SER 49 -1.363 -16.490 1.986 429 HB3 SER 49 1HB SER 49 -1.143 -18.210 2.333 430 HG SER 49 HG SER 49 0.522 -18.110 0.636 431 H GLY 50 H GLY 50 -3.917 -16.123 0.210 432 HA2 GLY 50 2HA GLY 50 -6.263 -16.567 0.133 433 HA3 GLY 50 1HA GLY 50 -6.035 -17.978 1.155 434 H LYS 51 H LYS 51 -4.136 -16.107 2.779 435 HA LYS 51 HA LYS 51 -6.182 -15.292 4.689 436 HB2 LYS 51 2HB LYS 51 -3.148 -15.500 4.775 437 HB3 LYS 51 1HB LYS 51 -3.993 -14.588 6.014 438 HG2 LYS 51 2HG LYS 51 -3.532 -16.820 6.843 439 HG3 LYS 51 1HG LYS 51 -5.270 -16.618 6.646 440 HD2 LYS 51 2HD LYS 51 -4.765 -18.813 5.859 441 HD3 LYS 51 1HD LYS 51 -5.054 -17.841 4.417 442 HE2 LYS 51 2HE LYS 51 -3.146 -19.195 3.949 443 HE3 LYS 51 1HE LYS 51 -2.519 -17.573 4.239 444 HZ1 LYS 51 3HZ LYS 51 -2.052 -18.317 6.560 445 HZ2 LYS 51 1HZ LYS 51 -1.148 -19.120 5.378 446 HZ3 LYS 51 2HZ LYS 51 -2.470 -19.887 6.096 447 H ILE 52 H ILE 52 -6.809 -13.209 5.106 448 HA ILE 52 HA ILE 52 -6.068 -11.105 3.268 449 HB ILE 52 HB ILE 52 -7.902 -10.972 5.714 450 HG12 ILE 52 2HG1 ILE 52 -8.593 -11.281 2.752 451 HG13 ILE 52 1HG1 ILE 52 -8.751 -12.534 3.977 452 HG21 ILE 52 1HG2 ILE 52 -8.750 -8.843 4.762 453 HG22 ILE 52 2HG2 ILE 52 -7.577 -8.955 3.450 454 HG23 ILE 52 3HG2 ILE 52 -7.022 -8.731 5.109 455 HD11 ILE 52 3HD1 ILE 52 -10.469 -11.198 5.109 456 HD12 ILE 52 1HD1 ILE 52 -10.900 -11.567 3.440 457 HD13 ILE 52 2HD1 ILE 52 -10.321 -9.956 3.862 458 H LEU 53 H LEU 53 -4.469 -9.710 3.576 459 HA LEU 53 HA LEU 53 -3.160 -9.403 6.204 460 HB2 LEU 53 2HB LEU 53 -2.066 -8.362 3.575 461 HB3 LEU 53 1HB LEU 53 -1.190 -8.778 5.044 462 HG LEU 53 HG LEU 53 -2.397 -10.715 3.027 463 HD11 LEU 53 1HD1 LEU 53 0.485 -10.075 3.694 464 HD12 LEU 53 2HD1 LEU 53 -0.395 -9.611 2.234 465 HD13 LEU 53 3HD1 LEU 53 -0.073 -11.311 2.559 466 HD21 LEU 53 3HD2 LEU 53 -2.590 -11.687 5.272 467 HD22 LEU 53 1HD2 LEU 53 -0.876 -11.394 5.569 468 HD23 LEU 53 2HD2 LEU 53 -1.375 -12.536 4.323 469 H LYS 54 H LYS 54 -3.434 -7.466 7.262 470 HA LYS 54 HA LYS 54 -4.374 -5.114 5.718 471 HB2 LYS 54 2HB LYS 54 -4.609 -5.558 8.722 472 HB3 LYS 54 1HB LYS 54 -5.296 -4.227 7.789 473 HG2 LYS 54 2HG LYS 54 -6.708 -5.931 6.561 474 HG3 LYS 54 1HG LYS 54 -6.125 -7.152 7.697 475 HD2 LYS 54 2HD LYS 54 -7.787 -4.681 8.332 476 HD3 LYS 54 1HD LYS 54 -8.309 -6.364 8.417 477 HE2 LYS 54 2HE LYS 54 -6.226 -5.049 10.204 478 HE3 LYS 54 1HE LYS 54 -7.875 -5.467 10.657 479 HZ1 LYS 54 3HZ LYS 54 -6.215 -7.082 11.406 480 HZ2 LYS 54 1HZ LYS 54 -5.826 -7.432 9.800 481 HZ3 LYS 54 2HZ LYS 54 -7.372 -7.772 10.393 482 H GLY 55 H GLY 55 -3.082 -3.375 5.615 483 HA2 GLY 55 2HA GLY 55 -0.737 -3.119 7.422 484 HA3 GLY 55 1HA GLY 55 -0.547 -3.009 5.674 485 H LYS 56 H LYS 56 -0.001 -0.934 7.688 486 HA LYS 56 HA LYS 56 -2.050 1.069 6.916 487 HB2 LYS 56 2HB LYS 56 -2.087 0.597 9.309 488 HB3 LYS 56 1HB LYS 56 -0.366 0.935 9.441 489 HG2 LYS 56 2HG LYS 56 -0.666 3.265 9.140 490 HG3 LYS 56 1HG LYS 56 -2.271 3.061 8.438 491 HD2 LYS 56 2HD LYS 56 -1.583 2.505 11.350 492 HD3 LYS 56 1HD LYS 56 -2.294 4.008 10.755 493 HE2 LYS 56 2HE LYS 56 -4.250 2.669 9.894 494 HE3 LYS 56 1HE LYS 56 -3.558 1.241 10.672 495 HZ1 LYS 56 3HZ LYS 56 -3.662 2.478 12.790 496 HZ2 LYS 56 1HZ LYS 56 -5.177 2.190 12.104 497 HZ3 LYS 56 2HZ LYS 56 -4.480 3.728 12.001 498 H ILE 57 H ILE 57 -1.427 2.839 5.882 499 HA ILE 57 HA ILE 57 1.211 3.223 4.877 500 HB ILE 57 HB ILE 57 -1.087 5.246 4.985 501 HG12 ILE 57 2HG1 ILE 57 -0.386 3.265 2.759 502 HG13 ILE 57 1HG1 ILE 57 -1.767 3.130 3.844 503 HG21 ILE 57 1HG2 ILE 57 1.081 6.312 4.494 504 HG22 ILE 57 2HG2 ILE 57 0.048 6.340 3.067 505 HG23 ILE 57 3HG2 ILE 57 1.368 5.173 3.177 506 HD11 ILE 57 3HD1 ILE 57 -1.314 5.283 1.776 507 HD12 ILE 57 1HD1 ILE 57 -2.669 5.230 2.911 508 HD13 ILE 57 2HD1 ILE 57 -2.473 3.956 1.708 509 H VAL 58 H VAL 58 2.715 3.474 6.484 510 HA VAL 58 HA VAL 58 2.232 5.196 8.808 511 HB VAL 58 HB VAL 58 4.473 4.364 9.601 512 HG11 VAL 58 1HG1 VAL 58 3.749 2.033 10.045 513 HG12 VAL 58 2HG1 VAL 58 2.511 2.173 8.794 514 HG13 VAL 58 3HG1 VAL 58 2.412 3.171 10.246 515 HG21 VAL 58 3HG2 VAL 58 4.443 2.671 7.060 516 HG22 VAL 58 1HG2 VAL 58 5.607 2.523 8.382 517 HG23 VAL 58 2HG2 VAL 58 5.561 3.992 7.407 518 H ARG 59 H ARG 59 4.044 5.240 5.828 519 HA ARG 59 HA ARG 59 4.722 8.050 6.096 520 HB2 ARG 59 2HB ARG 59 6.569 6.758 7.298 521 HB3 ARG 59 1HB ARG 59 6.970 5.999 5.762 522 HG2 ARG 59 2HG ARG 59 7.722 8.096 4.830 523 HG3 ARG 59 1HG ARG 59 7.040 9.009 6.178 524 HD2 ARG 59 2HD ARG 59 9.349 7.050 6.387 525 HD3 ARG 59 1HD ARG 59 9.507 8.807 6.317 526 HE ARG 59 HE ARG 59 8.000 8.710 8.423 527 HH11 ARG 59 1HH1 ARG 59 10.508 6.355 7.694 528 HH12 ARG 59 2HH1 ARG 59 10.805 5.990 9.363 529 HH21 ARG 59 1HH2 ARG 59 8.396 8.210 10.590 530 HH22 ARG 59 2HH2 ARG 59 9.609 7.040 11.003 531 H VAL 60 H VAL 60 6.006 8.643 3.922 532 HA VAL 60 HA VAL 60 5.247 6.837 1.693 533 HB VAL 60 HB VAL 60 4.870 8.802 0.233 534 HG11 VAL 60 1HG1 VAL 60 2.936 7.818 1.342 535 HG12 VAL 60 2HG1 VAL 60 2.725 9.562 1.189 536 HG13 VAL 60 3HG1 VAL 60 3.169 8.862 2.747 537 HG21 VAL 60 3HG2 VAL 60 5.239 10.513 2.732 538 HG22 VAL 60 1HG2 VAL 60 4.698 11.095 1.154 539 HG23 VAL 60 2HG2 VAL 60 6.330 10.455 1.345 540 H HIS 61 H HIS 61 6.608 7.118 -0.233 541 HA HIS 61 HA HIS 61 9.270 8.299 0.177 542 HB2 HIS 61 2HB HIS 61 9.219 5.797 0.912 543 HB3 HIS 61 1HB HIS 61 9.011 5.406 -0.779 544 HD1 HIS 61 HD1 HIS 61 11.117 5.207 -2.142 545 HD2 HIS 61 HD2 HIS 61 11.752 7.218 1.443 546 HE1 HIS 61 HE1 HIS 61 13.605 5.501 -1.957 547 HE2 HIS 61 HE2 HIS 61 13.947 6.850 0.139 548 H GLY 62 H GLY 62 9.137 9.714 -1.522 549 HA2 GLY 62 2HA GLY 62 9.720 9.911 -3.890 550 HA3 GLY 62 1HA GLY 62 8.568 8.629 -4.238 551 H THR 63 H THR 63 8.785 11.398 -5.234 552 HA THR 63 HA THR 63 6.399 12.778 -4.261 553 HB THR 63 HB THR 63 7.117 14.566 -5.897 554 HG1 THR 63 HG1 THR 63 8.831 14.253 -7.163 555 HG21 THR 63 3HG2 THR 63 7.869 14.680 -3.547 556 HG22 THR 63 1HG2 THR 63 9.126 15.278 -4.637 557 HG23 THR 63 2HG2 THR 63 9.260 13.665 -3.936 558 H LYS 64 H LYS 64 6.616 10.211 -6.113 559 HA LYS 64 HA LYS 64 4.634 11.036 -8.149 560 HB2 LYS 64 2HB LYS 64 6.412 8.555 -8.020 561 HB3 LYS 64 1HB LYS 64 5.225 8.872 -9.282 562 HG2 LYS 64 2HG LYS 64 7.694 10.533 -8.688 563 HG3 LYS 64 1HG LYS 64 7.486 9.423 -10.047 564 HD2 LYS 64 2HD LYS 64 5.710 10.848 -10.983 565 HD3 LYS 64 1HD LYS 64 5.785 11.920 -9.581 566 HE2 LYS 64 2HE LYS 64 6.961 12.920 -11.478 567 HE3 LYS 64 1HE LYS 64 8.104 12.538 -10.191 568 HZ1 LYS 64 3HZ LYS 64 8.661 10.492 -11.412 569 HZ2 LYS 64 1HZ LYS 64 9.010 11.894 -12.289 570 HZ3 LYS 64 2HZ LYS 64 7.646 10.976 -12.671 571 H GLY 65 H GLY 65 4.380 10.274 -5.138 572 HA2 GLY 65 2HA GLY 65 2.527 9.640 -3.953 573 HA3 GLY 65 1HA GLY 65 1.752 9.158 -5.450 574 H ALA 66 H ALA 66 4.861 7.913 -4.292 575 HA ALA 66 HA ALA 66 3.755 5.209 -4.026 576 HB1 ALA 66 3HB ALA 66 6.620 6.188 -3.681 577 HB2 ALA 66 1HB ALA 66 5.945 5.479 -5.152 578 HB3 ALA 66 2HB ALA 66 6.094 4.506 -3.688 579 H VAL 67 H VAL 67 3.060 4.497 -2.081 580 HA VAL 67 HA VAL 67 3.727 5.956 0.381 581 HB VAL 67 HB VAL 67 1.762 4.877 1.411 582 HG11 VAL 67 1HG1 VAL 67 1.096 6.193 -1.241 583 HG12 VAL 67 2HG1 VAL 67 1.474 7.023 0.270 584 HG13 VAL 67 3HG1 VAL 67 0.006 6.049 0.145 585 HG21 VAL 67 3HG2 VAL 67 0.152 3.535 0.083 586 HG22 VAL 67 1HG2 VAL 67 1.721 2.733 0.189 587 HG23 VAL 67 2HG2 VAL 67 1.256 3.565 -1.295 588 H ARG 68 H ARG 68 4.236 4.887 2.232 589 HA ARG 68 HA ARG 68 5.614 2.294 2.042 590 HB2 ARG 68 2HB ARG 68 7.020 4.132 2.797 591 HB3 ARG 68 1HB ARG 68 5.803 4.680 3.934 592 HG2 ARG 68 2HG ARG 68 7.571 3.651 5.164 593 HG3 ARG 68 1HG ARG 68 6.152 2.607 5.266 594 HD2 ARG 68 2HD ARG 68 8.075 1.237 4.909 595 HD3 ARG 68 1HD ARG 68 7.108 1.215 3.442 596 HE ARG 68 HE ARG 68 8.796 3.045 2.703 597 HH11 ARG 68 1HH1 ARG 68 9.601 0.250 4.685 598 HH12 ARG 68 2HH1 ARG 68 11.238 0.180 4.121 599 HH21 ARG 68 1HH2 ARG 68 10.943 2.926 1.989 600 HH22 ARG 68 2HH2 ARG 68 11.990 1.688 2.600 601 H ALA 69 H ALA 69 4.118 0.710 2.473 602 HA ALA 69 HA ALA 69 2.168 1.090 4.684 603 HB1 ALA 69 3HB ALA 69 2.051 -0.845 2.338 604 HB2 ALA 69 1HB ALA 69 1.158 0.672 2.478 605 HB3 ALA 69 2HB ALA 69 0.820 -0.656 3.591 606 H ARG 70 H ARG 70 2.725 0.146 6.510 607 HA ARG 70 HA ARG 70 4.503 -2.173 6.669 608 HB2 ARG 70 2HB ARG 70 3.423 -0.128 8.619 609 HB3 ARG 70 1HB ARG 70 3.939 -1.678 9.266 610 HG2 ARG 70 2HG ARG 70 5.770 0.017 7.535 611 HG3 ARG 70 1HG ARG 70 5.660 0.232 9.282 612 HD2 ARG 70 2HD ARG 70 6.475 -2.308 7.837 613 HD3 ARG 70 1HD ARG 70 7.540 -1.224 8.737 614 HE ARG 70 HE ARG 70 5.421 -2.925 9.911 615 HH11 ARG 70 1HH1 ARG 70 8.440 -1.169 10.315 616 HH12 ARG 70 2HH1 ARG 70 8.691 -1.748 11.932 617 HH21 ARG 70 1HH2 ARG 70 5.753 -3.648 12.039 618 HH22 ARG 70 2HH2 ARG 70 7.171 -3.148 12.901 619 H PHE 71 H PHE 71 3.469 -4.031 6.150 620 HA PHE 71 HA PHE 71 0.723 -4.560 6.972 621 HB2 PHE 71 2HB PHE 71 2.708 -5.984 5.181 622 HB3 PHE 71 1HB PHE 71 1.315 -6.868 5.793 623 HD1 PHE 71 HD1 PHE 71 2.236 -3.771 3.834 624 HD2 PHE 71 HD2 PHE 71 -0.774 -6.685 4.735 625 HE1 PHE 71 HE1 PHE 71 0.797 -2.861 2.070 626 HE2 PHE 71 HE2 PHE 71 -2.189 -5.772 2.955 627 HZ PHE 71 HZ PHE 71 -1.407 -3.858 1.625 628 H GLU 72 H GLU 72 0.054 -5.869 8.524 629 HA GLU 72 HA GLU 72 1.572 -6.444 10.793 630 HB2 GLU 72 2HB GLU 72 -0.425 -7.783 11.534 631 HB3 GLU 72 1HB GLU 72 -0.850 -6.189 10.927 632 HG2 GLU 72 2HG GLU 72 -1.570 -7.162 8.796 633 HG3 GLU 72 1HG GLU 72 -1.093 -8.764 9.335 634 H LYS 73 H LYS 73 0.431 -8.690 8.257 635 HA LYS 73 HA LYS 73 2.074 -10.897 9.289 636 HB2 LYS 73 2HB LYS 73 0.091 -10.846 6.969 637 HB3 LYS 73 1HB LYS 73 0.864 -12.282 7.623 638 HG2 LYS 73 2HG LYS 73 -1.162 -10.534 9.062 639 HG3 LYS 73 1HG LYS 73 -1.492 -12.089 8.309 640 HD2 LYS 73 2HD LYS 73 -1.200 -12.883 10.436 641 HD3 LYS 73 1HD LYS 73 0.507 -12.842 10.016 642 HE2 LYS 73 2HE LYS 73 0.369 -11.824 12.150 643 HE3 LYS 73 1HE LYS 73 0.519 -10.468 11.039 644 HZ1 LYS 73 3HZ LYS 73 -1.169 -10.027 12.673 645 HZ2 LYS 73 1HZ LYS 73 -1.998 -11.442 12.282 646 HZ3 LYS 73 2HZ LYS 73 -1.901 -10.180 11.162 647 H GLY 74 H GLY 74 1.406 -9.145 6.267 648 HA2 GLY 74 2HA GLY 74 2.610 -8.663 4.411 649 HA3 GLY 74 1HA GLY 74 4.035 -8.732 5.437 650 H LEU 75 H LEU 75 1.693 -11.224 4.428 651 HA LEU 75 HA LEU 75 3.634 -13.177 3.812 652 HB2 LEU 75 2HB LEU 75 0.670 -12.966 3.249 653 HB3 LEU 75 1HB LEU 75 1.605 -14.287 2.563 654 HG LEU 75 HG LEU 75 1.356 -13.704 5.544 655 HD11 LEU 75 1HD1 LEU 75 -0.044 -15.712 5.642 656 HD12 LEU 75 2HD1 LEU 75 0.034 -15.873 3.886 657 HD13 LEU 75 3HD1 LEU 75 -0.769 -14.478 4.614 658 HD21 LEU 75 3HD2 LEU 75 2.632 -16.081 4.128 659 HD22 LEU 75 1HD2 LEU 75 2.505 -15.841 5.873 660 HD23 LEU 75 2HD2 LEU 75 3.521 -14.767 4.906 661 HA PRO 76 HA PRO 76 4.632 -11.292 -0.171 662 HB2 PRO 76 2HB PRO 76 7.056 -12.421 -0.508 663 HB3 PRO 76 1HB PRO 76 6.797 -11.250 0.804 664 HG2 PRO 76 2HG PRO 76 6.906 -14.254 0.961 665 HG3 PRO 76 1HG PRO 76 7.600 -13.053 2.069 666 HD2 PRO 76 2HD PRO 76 5.180 -14.355 2.489 667 HD3 PRO 76 1HD PRO 76 5.653 -12.825 3.254 668 H GLY 77 H GLY 77 5.305 -12.184 -2.352 669 HA2 GLY 77 2HA GLY 77 5.332 -14.796 -3.202 670 HA3 GLY 77 1HA GLY 77 3.617 -14.386 -3.122 671 H GLN 78 H GLN 78 3.948 -14.898 -5.507 672 HA GLN 78 HA GLN 78 4.907 -12.564 -7.010 673 HB2 GLN 78 2HB GLN 78 5.537 -14.896 -7.760 674 HB3 GLN 78 1HB GLN 78 3.843 -15.195 -8.135 675 HG2 GLN 78 2HG GLN 78 5.136 -14.589 -10.156 676 HG3 GLN 78 1HG GLN 78 3.866 -13.412 -9.827 677 HE21 GLN 78 1HE2 GLN 78 7.307 -13.981 -9.806 678 HE22 GLN 78 2HE2 GLN 78 7.790 -12.329 -9.678 679 H ALA 79 H ALA 79 3.123 -11.498 -5.744 680 HA ALA 79 HA ALA 79 0.689 -11.344 -7.436 681 HB1 ALA 79 3HB ALA 79 0.971 -10.704 -4.479 682 HB2 ALA 79 1HB ALA 79 0.163 -12.117 -5.160 683 HB3 ALA 79 2HB ALA 79 -0.495 -10.503 -5.441 684 H LEU 80 H LEU 80 3.372 -10.099 -7.722 685 HA LEU 80 HA LEU 80 3.258 -7.333 -7.067 686 HB2 LEU 80 2HB LEU 80 4.900 -8.895 -9.095 687 HB3 LEU 80 1HB LEU 80 5.152 -7.184 -8.767 688 HG LEU 80 HG LEU 80 5.443 -9.403 -6.691 689 HD11 LEU 80 1HD1 LEU 80 7.210 -9.570 -8.370 690 HD12 LEU 80 2HD1 LEU 80 7.851 -9.029 -6.821 691 HD13 LEU 80 3HD1 LEU 80 7.621 -7.868 -8.134 692 HD21 LEU 80 3HD2 LEU 80 6.450 -7.643 -5.280 693 HD22 LEU 80 1HD2 LEU 80 4.770 -7.288 -5.679 694 HD23 LEU 80 2HD2 LEU 80 6.073 -6.436 -6.513 695 H GLY 81 H GLY 81 2.011 -5.830 -7.950 696 HA2 GLY 81 2HA GLY 81 1.264 -4.524 -9.817 697 HA3 GLY 81 1HA GLY 81 1.144 -5.985 -10.785 698 H ASP 82 H ASP 82 -0.028 -6.793 -7.807 699 HA ASP 82 HA ASP 82 -2.760 -6.891 -8.720 700 HB2 ASP 82 2HB ASP 82 -1.507 -8.643 -7.253 701 HB3 ASP 82 1HB ASP 82 -1.781 -7.549 -5.903 702 H TYR 83 H TYR 83 -4.564 -6.090 -7.237 703 HA TYR 83 HA TYR 83 -4.036 -3.275 -6.566 704 HB2 TYR 83 2HB TYR 83 -6.511 -4.775 -7.476 705 HB3 TYR 83 1HB TYR 83 -6.651 -3.187 -6.725 706 HD1 TYR 83 HD1 TYR 83 -4.464 -4.762 -9.400 707 HD2 TYR 83 HD2 TYR 83 -6.913 -1.447 -8.254 708 HE1 TYR 83 HE1 TYR 83 -4.020 -3.686 -11.562 709 HE2 TYR 83 HE2 TYR 83 -6.469 -0.382 -10.412 710 HH TYR 83 HH TYR 83 -4.944 -2.016 -13.016 711 H VAL 84 H VAL 84 -4.177 -2.567 -4.584 712 HA VAL 84 HA VAL 84 -5.358 -4.153 -2.396 713 HB VAL 84 HB VAL 84 -4.158 -2.699 -0.871 714 HG11 VAL 84 1HG1 VAL 84 -2.771 -4.475 -1.833 715 HG12 VAL 84 2HG1 VAL 84 -1.793 -3.053 -1.478 716 HG13 VAL 84 3HG1 VAL 84 -2.267 -3.407 -3.143 717 HG21 VAL 84 3HG2 VAL 84 -2.772 -0.770 -1.571 718 HG22 VAL 84 1HG2 VAL 84 -4.470 -0.524 -1.984 719 HG23 VAL 84 2HG2 VAL 84 -3.315 -0.981 -3.237 720 H GLU 85 H GLU 85 -6.870 -3.047 -0.944 721 HA GLU 85 HA GLU 85 -8.180 -0.614 -2.052 722 HB2 GLU 85 2HB GLU 85 -9.332 -2.723 -0.159 723 HB3 GLU 85 1HB GLU 85 -10.187 -1.288 -0.731 724 HG2 GLU 85 2HG GLU 85 -10.104 -2.128 -3.037 725 HG3 GLU 85 1HG GLU 85 -9.172 -3.531 -2.513 726 H ILE 86 H ILE 86 -7.191 1.032 -1.075 727 HA ILE 86 HA ILE 86 -6.317 1.041 1.687 728 HB ILE 86 HB ILE 86 -6.352 3.302 -0.375 729 HG12 ILE 86 2HG1 ILE 86 -4.027 1.531 0.525 730 HG13 ILE 86 1HG1 ILE 86 -4.878 1.375 -1.009 731 HG21 ILE 86 1HG2 ILE 86 -4.953 3.194 2.329 732 HG22 ILE 86 2HG2 ILE 86 -6.351 4.193 1.928 733 HG23 ILE 86 3HG2 ILE 86 -4.799 4.497 1.147 734 HD11 ILE 86 3HD1 ILE 86 -4.089 3.610 -1.652 735 HD12 ILE 86 1HD1 ILE 86 -2.769 2.493 -1.311 736 HD13 ILE 86 2HD1 ILE 86 -3.202 3.727 -0.129 737 H VAL 87 H VAL 87 -7.843 1.251 3.193 738 HA VAL 87 HA VAL 87 -10.268 2.889 2.709 739 HB VAL 87 HB VAL 87 -9.918 0.462 4.536 740 HG11 VAL 87 1HG1 VAL 87 -11.633 2.022 5.385 741 HG12 VAL 87 2HG1 VAL 87 -12.375 0.529 4.804 742 HG13 VAL 87 3HG1 VAL 87 -12.450 1.992 3.819 743 HG21 VAL 87 3HG2 VAL 87 -11.314 0.654 1.830 744 HG22 VAL 87 1HG2 VAL 87 -11.332 -0.759 2.888 745 HG23 VAL 87 2HG2 VAL 87 -9.815 -0.214 2.168 746 H LEU 88 H LEU 88 -10.878 4.367 4.282 747 HA LEU 88 HA LEU 88 -9.025 5.442 6.112 748 HB2 LEU 88 2HB LEU 88 -11.031 6.600 5.049 749 HB3 LEU 88 1HB LEU 88 -12.061 5.736 6.164 750 HG LEU 88 HG LEU 88 -11.616 8.165 6.748 751 HD11 LEU 88 1HD1 LEU 88 -10.762 6.231 8.915 752 HD12 LEU 88 2HD1 LEU 88 -12.422 6.656 8.497 753 HD13 LEU 88 3HD1 LEU 88 -11.341 7.884 9.148 754 HD21 LEU 88 3HD2 LEU 88 -9.268 8.300 6.070 755 HD22 LEU 88 1HD2 LEU 88 -8.804 7.215 7.386 756 HD23 LEU 88 2HD2 LEU 88 -9.472 8.811 7.744 757 H GLU 89 H GLU 89 -8.606 4.949 8.228 758 HA GLU 89 HA GLU 89 -10.319 3.101 9.755 759 HB2 GLU 89 2HB GLU 89 -8.359 1.933 8.484 760 HB3 GLU 89 1HB GLU 89 -7.293 2.724 9.631 761 HG2 GLU 89 2HG GLU 89 -9.522 0.795 10.379 762 HG3 GLU 89 1HG GLU 89 -7.841 0.328 10.152 763 H HIS 90 H HIS 90 -10.537 3.803 11.823 764 HA HIS 90 HA HIS 90 -8.682 5.589 13.138 765 HB2 HIS 90 2HB HIS 90 -9.869 7.096 11.491 766 HB3 HIS 90 1HB HIS 90 -11.404 6.676 12.238 767 HD1 HIS 90 HD1 HIS 90 -12.131 8.109 14.154 768 HD2 HIS 90 HD2 HIS 90 -8.090 8.552 13.342 769 HE1 HIS 90 HE1 HIS 90 -11.342 9.945 15.659 770 HE2 HIS 90 HE2 HIS 90 -8.932 10.293 15.046 771 H HIS 91 H HIS 91 -10.344 3.020 13.453 772 HA HIS 91 HA HIS 91 -11.274 1.787 15.074 773 HB2 HIS 91 2HB HIS 91 -9.750 2.395 16.755 774 HB3 HIS 91 1HB HIS 91 -10.229 4.083 16.738 775 HD1 HIS 91 HD1 HIS 91 -11.840 4.825 18.490 776 HD2 HIS 91 HD2 HIS 91 -11.655 0.690 18.231 777 HE1 HIS 91 HE1 HIS 91 -13.137 3.974 20.458 778 HE2 HIS 91 HE2 HIS 91 -13.165 1.474 20.164 Start of MODEL 3 1 H1 MET 1 1H MET 1 -15.685 7.048 0.860 2 H2 MET 1 2H MET 1 -14.149 7.116 1.561 3 H3 MET 1 3H MET 1 -15.120 5.759 1.797 4 HA MET 1 HA MET 1 -15.007 5.209 -0.529 5 HB2 MET 1 2HB MET 1 -13.194 7.658 -0.670 6 HB3 MET 1 1HB MET 1 -13.285 6.455 -1.947 7 HG2 MET 1 2HG MET 1 -15.619 7.013 -2.352 8 HG3 MET 1 1HG MET 1 -15.609 8.150 -1.005 9 HE1 MET 1 3HE MET 1 -13.240 8.804 -4.941 10 HE2 MET 1 1HE MET 1 -14.302 7.422 -4.665 11 HE3 MET 1 2HE MET 1 -12.787 7.565 -3.770 12 H ARG 2 H ARG 2 -13.132 4.051 -1.486 13 HA ARG 2 HA ARG 2 -10.729 3.820 0.231 14 HB2 ARG 2 2HB ARG 2 -12.017 1.506 -1.300 15 HB3 ARG 2 1HB ARG 2 -10.559 1.418 -0.316 16 HG2 ARG 2 2HG ARG 2 -11.951 1.989 1.692 17 HG3 ARG 2 1HG ARG 2 -13.388 1.904 0.669 18 HD2 ARG 2 2HD ARG 2 -11.460 -0.358 1.283 19 HD3 ARG 2 1HD ARG 2 -13.107 -0.187 1.888 20 HE ARG 2 HE ARG 2 -12.384 -0.702 -0.942 21 HH11 ARG 2 1HH1 ARG 2 -14.654 -1.099 1.730 22 HH12 ARG 2 2HH1 ARG 2 -15.718 -2.122 0.809 23 HH21 ARG 2 1HH2 ARG 2 -13.726 -2.090 -2.084 24 HH22 ARG 2 2HH2 ARG 2 -15.190 -2.686 -1.357 25 H ILE 3 H ILE 3 -8.778 3.831 -0.894 26 HA ILE 3 HA ILE 3 -8.916 4.581 -3.742 27 HB ILE 3 HB ILE 3 -6.640 4.902 -1.728 28 HG12 ILE 3 2HG1 ILE 3 -8.584 6.932 -2.928 29 HG13 ILE 3 1HG1 ILE 3 -8.531 6.408 -1.251 30 HG21 ILE 3 1HG2 ILE 3 -5.741 4.596 -4.001 31 HG22 ILE 3 2HG2 ILE 3 -5.509 6.260 -3.467 32 HG23 ILE 3 3HG2 ILE 3 -6.799 5.875 -4.605 33 HD11 ILE 3 3HD1 ILE 3 -7.579 8.588 -1.455 34 HD12 ILE 3 1HD1 ILE 3 -6.449 8.037 -2.692 35 HD13 ILE 3 2HD1 ILE 3 -6.306 7.443 -1.035 36 H LYS 4 H LYS 4 -7.989 3.404 -5.327 37 HA LYS 4 HA LYS 4 -7.186 0.651 -4.751 38 HB2 LYS 4 2HB LYS 4 -8.919 1.309 -6.502 39 HB3 LYS 4 1HB LYS 4 -7.621 2.044 -7.430 40 HG2 LYS 4 2HG LYS 4 -6.542 -0.140 -7.702 41 HG3 LYS 4 1HG LYS 4 -7.785 -0.899 -6.703 42 HD2 LYS 4 2HD LYS 4 -9.491 -0.071 -8.428 43 HD3 LYS 4 1HD LYS 4 -8.123 0.365 -9.450 44 HE2 LYS 4 2HE LYS 4 -9.039 -1.804 -10.104 45 HE3 LYS 4 1HE LYS 4 -7.405 -2.003 -9.470 46 HZ1 LYS 4 3HZ LYS 4 -8.922 -3.698 -8.633 47 HZ2 LYS 4 1HZ LYS 4 -9.915 -2.513 -7.952 48 HZ3 LYS 4 2HZ LYS 4 -8.343 -2.739 -7.371 49 H GLY 5 H GLY 5 -5.059 0.137 -4.636 50 HA2 GLY 5 2HA GLY 5 -3.017 1.848 -5.984 51 HA3 GLY 5 1HA GLY 5 -2.781 1.088 -4.413 52 H VAL 6 H VAL 6 -0.867 0.575 -6.150 53 HA VAL 6 HA VAL 6 -1.342 -2.224 -7.040 54 HB VAL 6 HB VAL 6 0.488 -0.166 -8.383 55 HG11 VAL 6 1HG1 VAL 6 -0.005 -3.075 -9.126 56 HG12 VAL 6 2HG1 VAL 6 1.495 -2.402 -8.485 57 HG13 VAL 6 3HG1 VAL 6 0.926 -1.918 -10.083 58 HG21 VAL 6 3HG2 VAL 6 -1.015 -0.368 -10.331 59 HG22 VAL 6 1HG2 VAL 6 -1.876 0.232 -8.911 60 HG23 VAL 6 2HG2 VAL 6 -2.066 -1.449 -9.413 61 H VAL 7 H VAL 7 -0.090 -3.646 -6.009 62 HA VAL 7 HA VAL 7 1.986 -2.953 -4.174 63 HB VAL 7 HB VAL 7 1.321 -5.703 -5.338 64 HG11 VAL 7 1HG1 VAL 7 2.384 -6.627 -3.324 65 HG12 VAL 7 2HG1 VAL 7 2.785 -5.003 -2.766 66 HG13 VAL 7 3HG1 VAL 7 3.528 -5.639 -4.234 67 HG21 VAL 7 3HG2 VAL 7 0.229 -4.417 -2.809 68 HG22 VAL 7 1HG2 VAL 7 -0.095 -6.064 -3.357 69 HG23 VAL 7 2HG2 VAL 7 -0.670 -4.689 -4.304 70 H LEU 8 H LEU 8 3.702 -1.964 -5.106 71 HA LEU 8 HA LEU 8 4.869 -2.652 -7.632 72 HB2 LEU 8 2HB LEU 8 6.054 -0.993 -5.371 73 HB3 LEU 8 1HB LEU 8 6.608 -1.009 -7.037 74 HG LEU 8 HG LEU 8 3.972 0.120 -6.011 75 HD11 LEU 8 1HD1 LEU 8 5.869 1.566 -5.513 76 HD12 LEU 8 2HD1 LEU 8 4.870 2.292 -6.769 77 HD13 LEU 8 3HD1 LEU 8 6.394 1.514 -7.198 78 HD21 LEU 8 3HD2 LEU 8 3.578 -0.889 -8.198 79 HD22 LEU 8 1HD2 LEU 8 4.957 -0.022 -8.881 80 HD23 LEU 8 2HD2 LEU 8 3.536 0.868 -8.324 81 H SER 9 H SER 9 5.793 -3.156 -4.239 82 HA SER 9 HA SER 9 7.275 -5.560 -4.844 83 HB2 SER 9 2HB SER 9 8.939 -3.729 -5.338 84 HB3 SER 9 1HB SER 9 8.797 -3.194 -3.660 85 HG SER 9 HG SER 9 10.441 -4.973 -4.547 86 H TYR 10 H TYR 10 7.873 -6.739 -2.891 87 HA TYR 10 HA TYR 10 6.609 -5.836 -0.376 88 HB2 TYR 10 2HB TYR 10 7.945 -8.532 -0.906 89 HB3 TYR 10 1HB TYR 10 6.907 -8.105 0.451 90 HD1 TYR 10 HD2 TYR 10 4.411 -7.462 -0.145 91 HD2 TYR 10 HD1 TYR 10 7.009 -9.607 -2.779 92 HE1 TYR 10 HE2 TYR 10 2.468 -8.294 -1.406 93 HE2 TYR 10 HE1 TYR 10 5.061 -10.418 -4.029 94 HH TYR 10 HH TYR 10 1.968 -9.118 -3.658 95 H ARG 11 H ARG 11 7.920 -5.965 1.591 96 HA ARG 11 HA ARG 11 10.839 -5.948 1.187 97 HB2 ARG 11 2HB ARG 11 9.667 -3.555 1.295 98 HB3 ARG 11 1HB ARG 11 9.562 -3.895 3.011 99 HG2 ARG 11 2HG ARG 11 11.574 -2.802 3.037 100 HG3 ARG 11 1HG ARG 11 12.187 -4.414 2.672 101 HD2 ARG 11 2HD ARG 11 11.726 -2.116 0.753 102 HD3 ARG 11 1HD ARG 11 13.257 -2.885 1.173 103 HE ARG 11 HE ARG 11 11.658 -4.852 0.027 104 HH11 ARG 11 1HH1 ARG 11 13.179 -1.847 -1.037 105 HH12 ARG 11 2HH1 ARG 11 13.291 -2.358 -2.691 106 HH21 ARG 11 1HH2 ARG 11 11.723 -5.448 -2.144 107 HH22 ARG 11 2HH2 ARG 11 12.464 -4.405 -3.320 108 H ARG 12 H ARG 12 11.394 -7.707 2.366 109 HA ARG 12 HA ARG 12 9.820 -8.705 4.555 110 HB2 ARG 12 2HB ARG 12 12.584 -9.575 3.589 111 HB3 ARG 12 1HB ARG 12 11.565 -10.469 4.711 112 HG2 ARG 12 2HG ARG 12 9.910 -10.856 2.945 113 HG3 ARG 12 1HG ARG 12 10.866 -9.896 1.813 114 HD2 ARG 12 2HD ARG 12 12.736 -11.532 2.057 115 HD3 ARG 12 1HD ARG 12 11.712 -12.511 3.113 116 HE ARG 12 HE ARG 12 10.288 -12.162 0.751 117 HH11 ARG 12 1HH1 ARG 12 13.340 -13.668 1.698 118 HH12 ARG 12 2HH1 ARG 12 13.289 -14.845 0.419 119 HH21 ARG 12 1HH2 ARG 12 10.257 -13.704 -0.939 120 HH22 ARG 12 2HH2 ARG 12 11.542 -14.864 -1.073 121 H SER 13 H SER 13 10.383 -8.802 6.752 122 HA SER 13 HA SER 13 12.301 -6.781 7.730 123 HB2 SER 13 2HB SER 13 9.991 -6.668 8.625 124 HB3 SER 13 1HB SER 13 10.110 -8.334 9.189 125 HG SER 13 HG SER 13 11.662 -6.118 10.088 126 H LYS 14 H LYS 14 13.924 -7.333 9.247 127 HA LYS 14 HA LYS 14 15.296 -9.766 9.056 128 HB2 LYS 14 2HB LYS 14 15.361 -7.728 11.322 129 HB3 LYS 14 1HB LYS 14 16.538 -9.018 11.107 130 HG2 LYS 14 2HG LYS 14 17.203 -7.992 8.917 131 HG3 LYS 14 1HG LYS 14 16.080 -6.666 9.243 132 HD2 LYS 14 2HD LYS 14 18.325 -5.956 9.879 133 HD3 LYS 14 1HD LYS 14 17.353 -6.142 11.339 134 HE2 LYS 14 2HE LYS 14 19.583 -7.063 11.704 135 HE3 LYS 14 1HE LYS 14 18.399 -8.372 11.716 136 HZ1 LYS 14 3HZ LYS 14 19.004 -8.900 9.445 137 HZ2 LYS 14 1HZ LYS 14 20.371 -8.942 10.434 138 HZ3 LYS 14 2HZ LYS 14 20.111 -7.624 9.407 139 H GLU 15 H GLU 15 12.804 -8.724 11.307 140 HA GLU 15 HA GLU 15 12.727 -11.310 12.697 141 HB2 GLU 15 2HB GLU 15 12.146 -8.764 13.584 142 HB3 GLU 15 1HB GLU 15 10.537 -9.296 13.125 143 HG2 GLU 15 2HG GLU 15 12.331 -10.844 15.020 144 HG3 GLU 15 1HG GLU 15 11.173 -9.636 15.551 145 H ASN 16 H ASN 16 11.134 -12.822 12.310 146 HA ASN 16 HA ASN 16 10.484 -13.308 9.659 147 HB2 ASN 16 2HB ASN 16 9.256 -14.598 12.144 148 HB3 ASN 16 1HB ASN 16 9.135 -15.246 10.511 149 HD21 ASN 16 1HD2 ASN 16 10.105 -17.170 11.309 150 HD22 ASN 16 2HD2 ASN 16 11.806 -17.268 11.591 151 H GLN 17 H GLN 17 9.416 -11.325 9.010 152 HA GLN 17 HA GLN 17 7.668 -10.018 8.379 153 HB2 GLN 17 2HB GLN 17 6.742 -12.854 7.967 154 HB3 GLN 17 1HB GLN 17 5.675 -11.527 7.526 155 HG2 GLN 17 2HG GLN 17 7.009 -12.404 5.614 156 HG3 GLN 17 1HG GLN 17 7.265 -10.688 5.912 157 HE21 GLN 17 1HE2 GLN 17 8.719 -13.884 6.137 158 HE22 GLN 17 2HE2 GLN 17 10.352 -13.329 6.269 159 H HIS 18 H HIS 18 7.819 -10.111 11.144 160 HA HIS 18 HA HIS 18 5.229 -10.340 12.367 161 HB2 HIS 18 2HB HIS 18 7.379 -10.574 13.635 162 HB3 HIS 18 1HB HIS 18 7.724 -8.875 13.340 163 HD1 HIS 18 HD1 HIS 18 5.841 -11.154 15.573 164 HD2 HIS 18 HD2 HIS 18 6.073 -7.059 14.870 165 HE1 HIS 18 HE1 HIS 18 4.718 -10.060 17.537 166 HE2 HIS 18 HE2 HIS 18 4.849 -7.589 17.080 167 H ASN 19 H ASN 19 7.189 -7.741 11.029 168 HA ASN 19 HA ASN 19 4.851 -6.197 10.362 169 HB2 ASN 19 2HB ASN 19 5.367 -5.383 12.704 170 HB3 ASN 19 1HB ASN 19 6.970 -4.906 12.152 171 HD21 ASN 19 1HD2 ASN 19 6.616 -2.730 12.652 172 HD22 ASN 19 2HD2 ASN 19 5.541 -1.723 11.745 173 H ASN 20 H ASN 20 5.897 -7.189 8.450 174 HA ASN 20 HA ASN 20 8.356 -6.054 7.448 175 HB2 ASN 20 2HB ASN 20 8.033 -7.396 5.506 176 HB3 ASN 20 1HB ASN 20 7.409 -8.375 6.822 177 HD21 ASN 20 1HD2 ASN 20 4.825 -6.958 7.013 178 HD22 ASN 20 2HD2 ASN 20 3.945 -7.412 5.608 179 H VAL 21 H VAL 21 8.404 -4.745 5.445 180 HA VAL 21 HA VAL 21 6.209 -2.774 5.315 181 HB VAL 21 HB VAL 21 8.944 -2.538 3.977 182 HG11 VAL 21 1HG1 VAL 21 7.206 -1.020 3.138 183 HG12 VAL 21 2HG1 VAL 21 8.468 -0.131 3.995 184 HG13 VAL 21 3HG1 VAL 21 6.918 -0.440 4.781 185 HG21 VAL 21 3HG2 VAL 21 9.712 -1.185 5.898 186 HG22 VAL 21 1HG2 VAL 21 9.348 -2.843 6.390 187 HG23 VAL 21 2HG2 VAL 21 8.208 -1.544 6.752 188 H MET 22 H MET 22 5.575 -2.069 3.073 189 HA MET 22 HA MET 22 6.061 -3.921 0.869 190 HB2 MET 22 2HB MET 22 4.035 -4.854 1.992 191 HB3 MET 22 1HB MET 22 3.242 -3.289 1.882 192 HG2 MET 22 2HG MET 22 3.339 -3.455 -0.596 193 HG3 MET 22 1HG MET 22 4.028 -5.070 -0.446 194 HE1 MET 22 3HE MET 22 0.959 -7.024 1.164 195 HE2 MET 22 1HE MET 22 2.248 -6.241 2.078 196 HE3 MET 22 2HE MET 22 2.630 -7.163 0.622 197 H ILE 23 H ILE 23 6.474 -2.702 -0.838 198 HA ILE 23 HA ILE 23 5.944 0.155 -0.882 199 HB ILE 23 HB ILE 23 7.321 -1.641 -2.930 200 HG12 ILE 23 2HG1 ILE 23 8.583 -1.629 -0.834 201 HG13 ILE 23 1HG1 ILE 23 9.452 -0.669 -2.023 202 HG21 ILE 23 1HG2 ILE 23 7.265 1.392 -2.780 203 HG22 ILE 23 2HG2 ILE 23 6.474 0.392 -4.001 204 HG23 ILE 23 3HG2 ILE 23 8.234 0.439 -3.904 205 HD11 ILE 23 3HD1 ILE 23 8.588 1.391 -0.949 206 HD12 ILE 23 1HD1 ILE 23 9.544 0.390 0.144 207 HD13 ILE 23 2HD1 ILE 23 7.787 0.393 0.269 208 H ILE 24 H ILE 24 4.127 0.960 -1.677 209 HA ILE 24 HA ILE 24 2.574 -0.431 -3.796 210 HB ILE 24 HB ILE 24 1.419 0.983 -1.331 211 HG12 ILE 24 2HG1 ILE 24 1.396 -2.010 -1.930 212 HG13 ILE 24 1HG1 ILE 24 2.485 -1.234 -0.789 213 HG21 ILE 24 1HG2 ILE 24 -0.053 -0.547 -3.510 214 HG22 ILE 24 2HG2 ILE 24 -0.059 1.205 -3.291 215 HG23 ILE 24 3HG2 ILE 24 -0.787 0.163 -2.068 216 HD11 ILE 24 3HD1 ILE 24 0.558 -0.550 0.563 217 HD12 ILE 24 1HD1 ILE 24 0.669 -2.298 0.366 218 HD13 ILE 24 2HD1 ILE 24 -0.516 -1.381 -0.565 219 H LYS 25 H LYS 25 1.335 1.099 -5.158 220 HA LYS 25 HA LYS 25 1.667 3.965 -4.605 221 HB2 LYS 25 2HB LYS 25 3.435 3.309 -6.258 222 HB3 LYS 25 1HB LYS 25 2.170 2.768 -7.357 223 HG2 LYS 25 2HG LYS 25 1.333 5.017 -7.634 224 HG3 LYS 25 1HG LYS 25 2.364 5.617 -6.331 225 HD2 LYS 25 2HD LYS 25 3.285 6.250 -8.516 226 HD3 LYS 25 1HD LYS 25 4.372 5.133 -7.686 227 HE2 LYS 25 2HE LYS 25 4.170 4.577 -10.075 228 HE3 LYS 25 1HE LYS 25 3.528 3.274 -9.072 229 HZ1 LYS 25 3HZ LYS 25 1.301 4.063 -9.518 230 HZ2 LYS 25 1HZ LYS 25 2.108 3.791 -10.976 231 HZ3 LYS 25 2HZ LYS 25 1.896 5.367 -10.410 232 HA PRO 26 HA PRO 26 -2.860 3.509 -5.421 233 HB2 PRO 26 2HB PRO 26 -3.284 6.211 -4.758 234 HB3 PRO 26 1HB PRO 26 -3.364 4.852 -3.621 235 HG2 PRO 26 2HG PRO 26 -1.100 6.733 -4.150 236 HG3 PRO 26 1HG PRO 26 -1.685 6.078 -2.605 237 HD2 PRO 26 2HD PRO 26 0.516 5.090 -3.742 238 HD3 PRO 26 1HD PRO 26 -0.646 4.009 -2.935 239 H LEU 27 H LEU 27 -4.053 4.048 -7.184 240 HA LEU 27 HA LEU 27 -2.759 5.189 -9.507 241 HB2 LEU 27 2HB LEU 27 -5.590 4.121 -9.121 242 HB3 LEU 27 1HB LEU 27 -4.853 4.500 -10.672 243 HG LEU 27 HG LEU 27 -3.871 2.322 -8.783 244 HD11 LEU 27 1HD1 LEU 27 -6.078 1.760 -9.657 245 HD12 LEU 27 2HD1 LEU 27 -4.849 0.725 -10.377 246 HD13 LEU 27 3HD1 LEU 27 -5.531 2.061 -11.309 247 HD21 LEU 27 3HD2 LEU 27 -2.058 3.180 -10.167 248 HD22 LEU 27 1HD2 LEU 27 -3.037 2.999 -11.628 249 HD23 LEU 27 2HD2 LEU 27 -2.519 1.573 -10.725 250 H ASP 28 H ASP 28 -5.396 6.005 -7.321 251 HA ASP 28 HA ASP 28 -6.371 8.324 -8.643 252 HB2 ASP 28 2HB ASP 28 -7.751 7.106 -7.038 253 HB3 ASP 28 1HB ASP 28 -6.604 7.403 -5.744 254 H VAL 29 H VAL 29 -3.704 7.772 -6.509 255 HA VAL 29 HA VAL 29 -3.209 10.662 -6.098 256 HB VAL 29 HB VAL 29 -2.329 8.232 -4.482 257 HG11 VAL 29 1HG1 VAL 29 -1.586 11.138 -4.042 258 HG12 VAL 29 2HG1 VAL 29 -0.496 9.823 -4.486 259 HG13 VAL 29 3HG1 VAL 29 -1.277 9.823 -2.907 260 HG21 VAL 29 3HG2 VAL 29 -4.183 10.525 -3.744 261 HG22 VAL 29 1HG2 VAL 29 -3.674 9.226 -2.661 262 HG23 VAL 29 2HG2 VAL 29 -4.662 8.858 -4.076 263 H ASN 30 H ASN 30 -1.638 11.466 -7.340 264 HA ASN 30 HA ASN 30 0.751 9.834 -8.019 265 HB2 ASN 30 2HB ASN 30 -0.777 11.760 -9.832 266 HB3 ASN 30 1HB ASN 30 0.812 11.107 -10.223 267 HD21 ASN 30 1HD2 ASN 30 -2.563 10.303 -9.736 268 HD22 ASN 30 2HD2 ASN 30 -2.525 8.785 -10.558 269 H SER 31 H SER 31 0.080 11.896 -5.882 270 HA SER 31 HA SER 31 2.454 13.595 -6.215 271 HB2 SER 31 2HB SER 31 1.185 15.579 -5.415 272 HB3 SER 31 1HB SER 31 0.584 14.985 -6.964 273 HG SER 31 HG SER 31 -0.834 15.426 -4.861 274 H ARG 32 H ARG 32 3.131 14.603 -4.156 275 HA ARG 32 HA ARG 32 3.611 12.488 -2.339 276 HB2 ARG 32 2HB ARG 32 5.334 14.139 -2.772 277 HB3 ARG 32 1HB ARG 32 4.317 15.442 -2.194 278 HG2 ARG 32 2HG ARG 32 4.480 14.676 0.077 279 HG3 ARG 32 1HG ARG 32 5.268 13.170 -0.423 280 HD2 ARG 32 2HD ARG 32 7.208 14.542 -1.264 281 HD3 ARG 32 1HD ARG 32 6.426 15.970 -0.584 282 HE ARG 32 HE ARG 32 6.876 15.204 1.580 283 HH11 ARG 32 1HH1 ARG 32 8.133 12.948 -0.820 284 HH12 ARG 32 2HH1 ARG 32 9.160 12.129 0.313 285 HH21 ARG 32 1HH2 ARG 32 8.188 14.085 3.048 286 HH22 ARG 32 2HH2 ARG 32 9.191 12.773 2.502 287 H GLU 33 H GLU 33 1.785 15.515 -1.978 288 HA GLU 33 HA GLU 33 1.306 15.065 0.839 289 HB2 GLU 33 2HB GLU 33 0.117 17.165 0.899 290 HB3 GLU 33 1HB GLU 33 1.627 17.363 0.035 291 HG2 GLU 33 2HG GLU 33 -1.089 17.110 -1.254 292 HG3 GLU 33 1HG GLU 33 -0.244 18.615 -0.940 293 H GLU 34 H GLU 34 -0.541 14.681 -2.124 294 HA GLU 34 HA GLU 34 -2.974 13.853 -0.888 295 HB2 GLU 34 2HB GLU 34 -1.817 13.352 -3.641 296 HB3 GLU 34 1HB GLU 34 -3.386 12.712 -3.163 297 HG2 GLU 34 2HG GLU 34 -2.604 15.640 -3.306 298 HG3 GLU 34 1HG GLU 34 -3.664 14.779 -4.421 299 H ALA 35 H ALA 35 0.066 12.260 -1.369 300 HA ALA 35 HA ALA 35 -0.921 9.633 -0.542 301 HB1 ALA 35 3HB ALA 35 1.440 8.938 -0.737 302 HB2 ALA 35 1HB ALA 35 1.914 10.611 -1.046 303 HB3 ALA 35 2HB ALA 35 0.893 9.755 -2.202 304 H SER 36 H SER 36 0.454 12.509 0.851 305 HA SER 36 HA SER 36 1.403 11.295 3.309 306 HB2 SER 36 2HB SER 36 2.556 13.278 2.299 307 HB3 SER 36 1HB SER 36 1.128 14.259 2.629 308 HG SER 36 HG SER 36 1.451 13.688 4.883 309 H LYS 37 H LYS 37 -1.605 12.500 2.159 310 HA LYS 37 HA LYS 37 -2.779 12.762 4.814 311 HB2 LYS 37 2HB LYS 37 -4.810 13.330 3.697 312 HB3 LYS 37 1HB LYS 37 -3.529 14.056 2.739 313 HG2 LYS 37 2HG LYS 37 -3.711 11.846 1.316 314 HG3 LYS 37 1HG LYS 37 -5.296 11.710 2.077 315 HD2 LYS 37 2HD LYS 37 -4.293 14.005 0.357 316 HD3 LYS 37 1HD LYS 37 -5.474 12.785 -0.104 317 HE2 LYS 37 2HE LYS 37 -7.018 13.667 1.637 318 HE3 LYS 37 1HE LYS 37 -5.837 14.927 2.011 319 HZ1 LYS 37 3HZ LYS 37 -5.999 15.653 -0.330 320 HZ2 LYS 37 1HZ LYS 37 -7.471 15.795 0.495 321 HZ3 LYS 37 2HZ LYS 37 -7.225 14.523 -0.586 322 H LEU 38 H LEU 38 -2.007 10.239 2.633 323 HA LEU 38 HA LEU 38 -3.990 8.337 3.548 324 HB2 LEU 38 2HB LEU 38 -1.497 7.815 1.889 325 HB3 LEU 38 1HB LEU 38 -2.858 6.727 2.105 326 HG LEU 38 HG LEU 38 -2.824 9.332 0.543 327 HD11 LEU 38 1HD1 LEU 38 -1.841 7.447 -0.655 328 HD12 LEU 38 2HD1 LEU 38 -3.368 7.921 -1.394 329 HD13 LEU 38 3HD1 LEU 38 -3.292 6.479 -0.378 330 HD21 LEU 38 3HD2 LEU 38 -5.218 7.570 1.122 331 HD22 LEU 38 1HD2 LEU 38 -5.186 8.931 -0.003 332 HD23 LEU 38 2HD2 LEU 38 -4.947 9.209 1.719 333 H ILE 39 H ILE 39 -1.058 9.510 4.783 334 HA ILE 39 HA ILE 39 0.000 7.306 6.173 335 HB ILE 39 HB ILE 39 -0.110 10.194 7.176 336 HG12 ILE 39 2HG1 ILE 39 0.902 10.144 4.938 337 HG13 ILE 39 1HG1 ILE 39 2.130 10.502 6.142 338 HG21 ILE 39 1HG2 ILE 39 1.922 9.625 8.479 339 HG22 ILE 39 2HG2 ILE 39 1.805 7.953 7.927 340 HG23 ILE 39 3HG2 ILE 39 0.540 8.631 8.953 341 HD11 ILE 39 3HD1 ILE 39 1.690 7.879 4.735 342 HD12 ILE 39 1HD1 ILE 39 2.883 8.152 6.007 343 HD13 ILE 39 2HD1 ILE 39 3.004 9.022 4.479 344 H GLY 40 H GLY 40 -0.744 6.159 7.888 345 HA2 GLY 40 2HA GLY 40 -1.775 5.842 9.986 346 HA3 GLY 40 1HA GLY 40 -2.778 7.258 9.715 347 H ARG 41 H ARG 41 -3.206 6.017 6.857 348 HA ARG 41 HA ARG 41 -5.744 4.824 7.554 349 HB2 ARG 41 2HB ARG 41 -4.427 5.275 4.846 350 HB3 ARG 41 1HB ARG 41 -6.082 4.726 5.076 351 HG2 ARG 41 2HG ARG 41 -6.545 6.903 6.286 352 HG3 ARG 41 1HG ARG 41 -4.932 7.437 5.810 353 HD2 ARG 41 2HD ARG 41 -5.579 7.129 3.416 354 HD3 ARG 41 1HD ARG 41 -7.207 6.685 3.941 355 HE ARG 41 HE ARG 41 -6.394 9.242 4.945 356 HH11 ARG 41 1HH1 ARG 41 -7.656 7.661 2.060 357 HH12 ARG 41 2HH1 ARG 41 -8.395 9.108 1.452 358 HH21 ARG 41 1HH2 ARG 41 -7.404 11.116 4.130 359 HH22 ARG 41 2HH2 ARG 41 -8.251 11.055 2.619 360 H LEU 42 H LEU 42 -6.498 2.758 6.669 361 HA LEU 42 HA LEU 42 -4.512 0.632 7.093 362 HB2 LEU 42 2HB LEU 42 -6.802 0.726 8.245 363 HB3 LEU 42 1HB LEU 42 -7.519 0.367 6.693 364 HG LEU 42 HG LEU 42 -6.233 -1.817 6.684 365 HD11 LEU 42 1HD1 LEU 42 -4.425 -1.224 8.220 366 HD12 LEU 42 2HD1 LEU 42 -5.283 -2.651 8.796 367 HD13 LEU 42 3HD1 LEU 42 -5.575 -1.080 9.551 368 HD21 LEU 42 3HD2 LEU 42 -7.726 -2.953 8.291 369 HD22 LEU 42 1HD2 LEU 42 -8.592 -1.753 7.333 370 HD23 LEU 42 2HD2 LEU 42 -8.147 -1.392 9.002 371 H VAL 43 H VAL 43 -3.677 -0.471 5.367 372 HA VAL 43 HA VAL 43 -5.031 -0.349 2.765 373 HB VAL 43 HB VAL 43 -2.258 -1.436 3.454 374 HG11 VAL 43 1HG1 VAL 43 -3.559 -0.881 0.766 375 HG12 VAL 43 2HG1 VAL 43 -3.208 -2.475 1.442 376 HG13 VAL 43 3HG1 VAL 43 -1.888 -1.389 1.011 377 HG21 VAL 43 3HG2 VAL 43 -2.383 0.994 3.834 378 HG22 VAL 43 1HG2 VAL 43 -3.038 1.228 2.211 379 HG23 VAL 43 2HG2 VAL 43 -1.387 0.638 2.420 380 H LEU 44 H LEU 44 -6.496 -1.934 2.459 381 HA LEU 44 HA LEU 44 -6.158 -4.613 3.606 382 HB2 LEU 44 2HB LEU 44 -8.395 -3.452 1.890 383 HB3 LEU 44 1HB LEU 44 -8.394 -5.070 2.578 384 HG LEU 44 HG LEU 44 -8.508 -2.466 4.144 385 HD11 LEU 44 1HD1 LEU 44 -10.605 -2.964 2.976 386 HD12 LEU 44 2HD1 LEU 44 -10.796 -3.142 4.718 387 HD13 LEU 44 3HD1 LEU 44 -10.646 -4.576 3.699 388 HD21 LEU 44 3HD2 LEU 44 -8.862 -3.878 6.141 389 HD22 LEU 44 1HD2 LEU 44 -7.273 -4.140 5.425 390 HD23 LEU 44 2HD2 LEU 44 -8.559 -5.323 5.174 391 H TRP 45 H TRP 45 -5.098 -6.119 2.462 392 HA TRP 45 HA TRP 45 -5.293 -6.162 -0.480 393 HB2 TRP 45 2HB TRP 45 -3.084 -5.170 0.117 394 HB3 TRP 45 1HB TRP 45 -2.715 -6.578 1.109 395 HD1 TRP 45 HD1 TRP 45 -3.669 -5.916 -2.613 396 HE1 TRP 45 HE1 TRP 45 -2.324 -7.534 -4.073 397 HE3 TRP 45 HE3 TRP 45 -1.200 -8.462 1.046 398 HZ2 TRP 45 HZ2 TRP 45 -0.459 -9.606 -3.745 399 HZ3 TRP 45 HZ3 TRP 45 0.357 -10.252 0.395 400 HH2 TRP 45 HH2 TRP 45 0.716 -10.817 -1.949 401 H LYS 46 H LYS 46 -5.797 -8.141 -1.229 402 HA LYS 46 HA LYS 46 -5.984 -10.430 0.580 403 HB2 LYS 46 2HB LYS 46 -7.884 -9.773 -0.972 404 HB3 LYS 46 1HB LYS 46 -6.861 -10.198 -2.340 405 HG2 LYS 46 2HG LYS 46 -8.362 -12.032 -1.915 406 HG3 LYS 46 1HG LYS 46 -6.742 -12.546 -1.449 407 HD2 LYS 46 2HD LYS 46 -7.296 -12.081 0.931 408 HD3 LYS 46 1HD LYS 46 -8.920 -11.582 0.453 409 HE2 LYS 46 2HE LYS 46 -7.731 -14.356 0.143 410 HE3 LYS 46 1HE LYS 46 -8.929 -13.862 1.336 411 HZ1 LYS 46 3HZ LYS 46 -9.312 -13.939 -1.605 412 HZ2 LYS 46 1HZ LYS 46 -10.462 -13.392 -0.498 413 HZ3 LYS 46 2HZ LYS 46 -9.972 -15.011 -0.477 414 H SER 47 H SER 47 -4.399 -11.882 0.643 415 HA SER 47 HA SER 47 -2.150 -11.802 -1.203 416 HB2 SER 47 2HB SER 47 -1.144 -13.452 0.369 417 HB3 SER 47 1HB SER 47 -1.740 -12.027 1.216 418 HG SER 47 HG SER 47 -3.155 -13.208 2.226 419 HA PRO 48 HA PRO 48 -3.302 -15.538 -3.583 420 HB2 PRO 48 2HB PRO 48 -0.827 -16.713 -3.977 421 HB3 PRO 48 1HB PRO 48 -1.399 -15.309 -4.896 422 HG2 PRO 48 2HG PRO 48 0.462 -15.383 -2.554 423 HG3 PRO 48 1HG PRO 48 0.557 -14.410 -4.039 424 HD2 PRO 48 2HD PRO 48 -0.341 -13.374 -1.690 425 HD3 PRO 48 1HD PRO 48 -0.961 -12.825 -3.265 426 H SER 49 H SER 49 -1.656 -15.626 -0.539 427 HA SER 49 HA SER 49 -1.824 -18.403 0.058 428 HB2 SER 49 2HB SER 49 -0.363 -16.800 1.299 429 HB3 SER 49 1HB SER 49 -1.794 -16.030 1.983 430 HG SER 49 HG SER 49 -1.300 -18.800 2.298 431 H GLY 50 H GLY 50 -4.176 -15.848 -0.028 432 HA2 GLY 50 2HA GLY 50 -6.516 -16.156 -0.005 433 HA3 GLY 50 1HA GLY 50 -6.320 -17.651 0.899 434 H LYS 51 H LYS 51 -4.567 -14.869 1.922 435 HA LYS 51 HA LYS 51 -6.297 -14.560 4.305 436 HB2 LYS 51 2HB LYS 51 -3.325 -13.988 3.944 437 HB3 LYS 51 1HB LYS 51 -4.232 -13.748 5.433 438 HG2 LYS 51 2HG LYS 51 -3.883 -16.427 4.082 439 HG3 LYS 51 1HG LYS 51 -2.830 -15.820 5.359 440 HD2 LYS 51 2HD LYS 51 -4.803 -15.681 6.874 441 HD3 LYS 51 1HD LYS 51 -5.807 -16.375 5.599 442 HE2 LYS 51 2HE LYS 51 -4.522 -18.453 5.675 443 HE3 LYS 51 1HE LYS 51 -3.403 -17.751 6.848 444 HZ1 LYS 51 3HZ LYS 51 -5.198 -17.587 8.437 445 HZ2 LYS 51 1HZ LYS 51 -5.060 -19.184 7.891 446 HZ3 LYS 51 2HZ LYS 51 -6.305 -18.198 7.315 447 H ILE 52 H ILE 52 -7.094 -12.595 4.765 448 HA ILE 52 HA ILE 52 -6.615 -10.334 2.959 449 HB ILE 52 HB ILE 52 -8.441 -10.355 5.410 450 HG12 ILE 52 2HG1 ILE 52 -9.210 -10.933 2.508 451 HG13 ILE 52 1HG1 ILE 52 -9.111 -12.144 3.777 452 HG21 ILE 52 1HG2 ILE 52 -8.345 -8.518 2.981 453 HG22 ILE 52 2HG2 ILE 52 -7.835 -8.099 4.619 454 HG23 ILE 52 3HG2 ILE 52 -9.536 -8.422 4.282 455 HD11 ILE 52 3HD1 ILE 52 -11.401 -11.529 3.321 456 HD12 ILE 52 1HD1 ILE 52 -11.054 -9.838 3.681 457 HD13 ILE 52 2HD1 ILE 52 -10.954 -11.053 4.959 458 H LEU 53 H LEU 53 -4.576 -9.684 3.370 459 HA LEU 53 HA LEU 53 -3.474 -9.329 6.021 460 HB2 LEU 53 2HB LEU 53 -2.314 -8.466 3.341 461 HB3 LEU 53 1HB LEU 53 -1.443 -8.648 4.857 462 HG LEU 53 HG LEU 53 -2.622 -10.886 3.165 463 HD11 LEU 53 1HD1 LEU 53 -0.580 -9.953 2.243 464 HD12 LEU 53 2HD1 LEU 53 -0.299 -11.579 2.854 465 HD13 LEU 53 3HD1 LEU 53 0.254 -10.181 3.781 466 HD21 LEU 53 3HD2 LEU 53 -2.892 -11.518 5.489 467 HD22 LEU 53 1HD2 LEU 53 -1.222 -11.071 5.854 468 HD23 LEU 53 2HD2 LEU 53 -1.562 -12.444 4.797 469 H LYS 54 H LYS 54 -3.381 -7.443 7.133 470 HA LYS 54 HA LYS 54 -4.305 -4.952 5.825 471 HB2 LYS 54 2HB LYS 54 -4.515 -5.596 8.795 472 HB3 LYS 54 1HB LYS 54 -5.255 -4.250 7.931 473 HG2 LYS 54 2HG LYS 54 -6.644 -5.935 6.658 474 HG3 LYS 54 1HG LYS 54 -5.994 -7.187 7.715 475 HD2 LYS 54 2HD LYS 54 -7.709 -4.814 8.540 476 HD3 LYS 54 1HD LYS 54 -8.194 -6.508 8.504 477 HE2 LYS 54 2HE LYS 54 -6.093 -5.307 10.329 478 HE3 LYS 54 1HE LYS 54 -7.729 -5.754 10.791 479 HZ1 LYS 54 3HZ LYS 54 -6.190 -7.453 11.450 480 HZ2 LYS 54 1HZ LYS 54 -5.609 -7.613 9.867 481 HZ3 LYS 54 2HZ LYS 54 -7.196 -8.061 10.237 482 H GLY 55 H GLY 55 -3.049 -3.180 6.025 483 HA2 GLY 55 2HA GLY 55 -0.705 -3.154 7.828 484 HA3 GLY 55 1HA GLY 55 -0.486 -2.857 6.104 485 H LYS 56 H LYS 56 0.357 -0.854 7.631 486 HA LYS 56 HA LYS 56 -1.709 1.227 7.240 487 HB2 LYS 56 2HB LYS 56 -1.619 0.631 9.668 488 HB3 LYS 56 1HB LYS 56 0.095 1.032 9.693 489 HG2 LYS 56 2HG LYS 56 -0.455 3.376 9.087 490 HG3 LYS 56 1HG LYS 56 -2.170 2.960 9.085 491 HD2 LYS 56 2HD LYS 56 -1.607 4.077 11.172 492 HD3 LYS 56 1HD LYS 56 -2.015 2.394 11.506 493 HE2 LYS 56 2HE LYS 56 0.374 1.837 11.698 494 HE3 LYS 56 1HE LYS 56 0.807 3.503 11.293 495 HZ1 LYS 56 3HZ LYS 56 -0.777 2.689 13.676 496 HZ2 LYS 56 1HZ LYS 56 -0.281 4.255 13.297 497 HZ3 LYS 56 2HZ LYS 56 0.869 3.081 13.690 498 H ILE 57 H ILE 57 -0.976 3.023 6.273 499 HA ILE 57 HA ILE 57 1.659 3.047 5.122 500 HB ILE 57 HB ILE 57 -0.479 5.226 5.048 501 HG12 ILE 57 2HG1 ILE 57 0.061 3.016 3.014 502 HG13 ILE 57 1HG1 ILE 57 -1.254 2.992 4.178 503 HG21 ILE 57 1HG2 ILE 57 1.769 6.053 4.421 504 HG22 ILE 57 2HG2 ILE 57 0.693 6.030 3.024 505 HG23 ILE 57 3HG2 ILE 57 1.911 4.768 3.217 506 HD11 ILE 57 3HD1 ILE 57 -2.212 4.983 3.122 507 HD12 ILE 57 1HD1 ILE 57 -2.051 3.624 2.009 508 HD13 ILE 57 2HD1 ILE 57 -0.906 4.963 1.929 509 H VAL 58 H VAL 58 3.351 3.569 6.331 510 HA VAL 58 HA VAL 58 3.129 5.376 8.649 511 HB VAL 58 HB VAL 58 5.335 4.464 9.326 512 HG11 VAL 58 1HG1 VAL 58 4.620 2.150 9.834 513 HG12 VAL 58 2HG1 VAL 58 3.323 2.286 8.644 514 HG13 VAL 58 3HG1 VAL 58 3.305 3.302 10.087 515 HG21 VAL 58 3HG2 VAL 58 6.381 2.596 8.065 516 HG22 VAL 58 1HG2 VAL 58 6.315 4.075 7.104 517 HG23 VAL 58 2HG2 VAL 58 5.163 2.775 6.797 518 H ARG 59 H ARG 59 4.321 5.367 5.406 519 HA ARG 59 HA ARG 59 5.474 8.004 5.635 520 HB2 ARG 59 2HB ARG 59 7.330 6.454 6.443 521 HB3 ARG 59 1HB ARG 59 7.327 5.697 4.858 522 HG2 ARG 59 2HG ARG 59 9.178 7.292 5.108 523 HG3 ARG 59 1HG ARG 59 8.071 7.792 3.826 524 HD2 ARG 59 2HD ARG 59 8.817 9.693 5.221 525 HD3 ARG 59 1HD ARG 59 7.067 9.463 5.307 526 HE ARG 59 HE ARG 59 8.570 8.145 7.409 527 HH11 ARG 59 1HH1 ARG 59 6.989 11.163 6.523 528 HH12 ARG 59 2HH1 ARG 59 6.771 11.666 8.169 529 HH21 ARG 59 1HH2 ARG 59 8.256 8.826 9.563 530 HH22 ARG 59 2HH2 ARG 59 7.483 10.351 9.882 531 H VAL 60 H VAL 60 6.079 8.859 3.477 532 HA VAL 60 HA VAL 60 4.882 7.407 1.181 533 HB VAL 60 HB VAL 60 4.760 9.582 0.019 534 HG11 VAL 60 1HG1 VAL 60 3.529 9.691 2.790 535 HG12 VAL 60 2HG1 VAL 60 2.847 8.880 1.377 536 HG13 VAL 60 3HG1 VAL 60 3.005 10.636 1.391 537 HG21 VAL 60 3HG2 VAL 60 5.258 11.718 1.174 538 HG22 VAL 60 1HG2 VAL 60 6.709 10.721 1.028 539 HG23 VAL 60 2HG2 VAL 60 5.863 10.823 2.572 540 H HIS 61 H HIS 61 6.059 7.933 -0.940 541 HA HIS 61 HA HIS 61 8.996 7.955 -0.575 542 HB2 HIS 61 2HB HIS 61 8.159 5.630 -1.064 543 HB3 HIS 61 1HB HIS 61 7.466 6.216 -2.574 544 HD1 HIS 61 HD1 HIS 61 10.729 5.375 -0.939 545 HD2 HIS 61 HD2 HIS 61 9.348 6.659 -4.650 546 HE1 HIS 61 HE1 HIS 61 12.677 5.153 -2.508 547 HE2 HIS 61 HE2 HIS 61 11.854 6.046 -4.708 548 H GLY 62 H GLY 62 9.511 9.920 -1.277 549 HA2 GLY 62 2HA GLY 62 9.942 11.659 -2.683 550 HA3 GLY 62 1HA GLY 62 9.523 10.590 -4.013 551 H THR 63 H THR 63 8.317 11.956 -5.251 552 HA THR 63 HA THR 63 5.918 13.228 -4.069 553 HB THR 63 HB THR 63 6.054 14.842 -5.993 554 HG1 THR 63 HG1 THR 63 8.290 14.816 -6.996 555 HG21 THR 63 3HG2 THR 63 7.045 15.486 -3.811 556 HG22 THR 63 1HG2 THR 63 7.953 16.168 -5.159 557 HG23 THR 63 2HG2 THR 63 8.582 14.762 -4.295 558 H LYS 64 H LYS 64 6.623 10.499 -5.632 559 HA LYS 64 HA LYS 64 4.990 10.725 -8.027 560 HB2 LYS 64 2HB LYS 64 6.368 8.263 -6.863 561 HB3 LYS 64 1HB LYS 64 5.731 8.425 -8.497 562 HG2 LYS 64 2HG LYS 64 8.038 10.014 -7.337 563 HG3 LYS 64 1HG LYS 64 8.190 8.634 -8.426 564 HD2 LYS 64 2HD LYS 64 7.134 9.870 -10.237 565 HD3 LYS 64 1HD LYS 64 6.738 11.210 -9.154 566 HE2 LYS 64 2HE LYS 64 8.672 11.771 -10.546 567 HE3 LYS 64 1HE LYS 64 9.148 11.672 -8.851 568 HZ1 LYS 64 3HZ LYS 64 9.928 9.366 -9.344 569 HZ2 LYS 64 1HZ LYS 64 10.792 10.579 -10.148 570 HZ3 LYS 64 2HZ LYS 64 9.644 9.664 -10.982 571 H GLY 65 H GLY 65 4.112 10.375 -4.868 572 HA2 GLY 65 2HA GLY 65 2.035 9.894 -3.947 573 HA3 GLY 65 1HA GLY 65 1.506 9.263 -5.501 574 H ALA 66 H ALA 66 4.394 7.789 -4.837 575 HA ALA 66 HA ALA 66 3.276 5.248 -4.277 576 HB1 ALA 66 3HB ALA 66 5.630 4.489 -4.127 577 HB2 ALA 66 1HB ALA 66 6.174 6.169 -4.131 578 HB3 ALA 66 2HB ALA 66 5.371 5.496 -5.552 579 H VAL 67 H VAL 67 2.686 4.425 -2.353 580 HA VAL 67 HA VAL 67 3.432 5.871 0.113 581 HB VAL 67 HB VAL 67 1.444 4.821 1.164 582 HG11 VAL 67 1HG1 VAL 67 0.785 6.302 -1.406 583 HG12 VAL 67 2HG1 VAL 67 1.218 7.038 0.138 584 HG13 VAL 67 3HG1 VAL 67 -0.285 6.126 -0.010 585 HG21 VAL 67 3HG2 VAL 67 1.301 2.744 -0.145 586 HG22 VAL 67 1HG2 VAL 67 0.853 3.660 -1.586 587 HG23 VAL 67 2HG2 VAL 67 -0.236 3.609 -0.196 588 H ARG 68 H ARG 68 4.315 4.858 1.821 589 HA ARG 68 HA ARG 68 5.335 2.112 1.488 590 HB2 ARG 68 2HB ARG 68 6.984 4.001 1.816 591 HB3 ARG 68 1HB ARG 68 6.282 4.303 3.403 592 HG2 ARG 68 2HG ARG 68 6.934 2.012 4.096 593 HG3 ARG 68 1HG ARG 68 7.655 1.755 2.511 594 HD2 ARG 68 2HD ARG 68 9.240 3.647 2.997 595 HD3 ARG 68 1HD ARG 68 8.574 3.721 4.635 596 HE ARG 68 HE ARG 68 9.507 1.102 3.815 597 HH11 ARG 68 1HH1 ARG 68 10.480 4.090 5.381 598 HH12 ARG 68 2HH1 ARG 68 11.819 3.357 6.207 599 HH21 ARG 68 1HH2 ARG 68 11.258 0.159 4.879 600 HH22 ARG 68 2HH2 ARG 68 12.260 1.120 5.919 601 H ALA 69 H ALA 69 3.895 0.712 2.363 602 HA ALA 69 HA ALA 69 2.557 1.370 4.933 603 HB1 ALA 69 3HB ALA 69 1.010 1.134 3.040 604 HB2 ALA 69 1HB ALA 69 0.765 -0.157 4.216 605 HB3 ALA 69 2HB ALA 69 1.628 -0.486 2.709 606 H ARG 70 H ARG 70 2.792 -0.026 6.639 607 HA ARG 70 HA ARG 70 4.508 -2.404 6.253 608 HB2 ARG 70 2HB ARG 70 3.979 -0.800 8.788 609 HB3 ARG 70 1HB ARG 70 5.025 -2.214 8.664 610 HG2 ARG 70 2HG ARG 70 6.397 -0.933 6.966 611 HG3 ARG 70 1HG ARG 70 5.433 0.490 7.367 612 HD2 ARG 70 2HD ARG 70 7.503 0.564 8.601 613 HD3 ARG 70 1HD ARG 70 6.184 0.268 9.739 614 HE ARG 70 HE ARG 70 7.213 -2.211 8.951 615 HH11 ARG 70 1HH1 ARG 70 8.264 0.595 10.821 616 HH12 ARG 70 2HH1 ARG 70 9.351 -0.334 11.809 617 HH21 ARG 70 1HH2 ARG 70 8.630 -3.398 10.243 618 HH22 ARG 70 2HH2 ARG 70 9.561 -2.612 11.477 619 H PHE 71 H PHE 71 3.525 -4.276 6.284 620 HA PHE 71 HA PHE 71 0.789 -4.544 7.277 621 HB2 PHE 71 2HB PHE 71 2.516 -6.197 5.403 622 HB3 PHE 71 1HB PHE 71 1.020 -6.844 6.068 623 HD1 PHE 71 HD1 PHE 71 2.239 -3.741 4.282 624 HD2 PHE 71 HD2 PHE 71 -0.921 -6.585 4.802 625 HE1 PHE 71 HE1 PHE 71 0.942 -2.643 2.502 626 HE2 PHE 71 HE2 PHE 71 -2.198 -5.482 3.014 627 HZ PHE 71 HZ PHE 71 -1.270 -3.516 1.868 628 H GLU 72 H GLU 72 0.151 -5.966 8.802 629 HA GLU 72 HA GLU 72 1.801 -6.693 10.955 630 HB2 GLU 72 2HB GLU 72 -0.192 -7.940 11.770 631 HB3 GLU 72 1HB GLU 72 -0.629 -6.349 11.149 632 HG2 GLU 72 2HG GLU 72 -1.381 -7.362 9.030 633 HG3 GLU 72 1HG GLU 72 -0.940 -8.958 9.631 634 H LYS 73 H LYS 73 0.908 -8.459 8.069 635 HA LYS 73 HA LYS 73 2.556 -10.780 8.893 636 HB2 LYS 73 2HB LYS 73 0.168 -10.752 6.998 637 HB3 LYS 73 1HB LYS 73 1.136 -12.163 7.381 638 HG2 LYS 73 2HG LYS 73 -0.308 -10.743 9.623 639 HG3 LYS 73 1HG LYS 73 -1.233 -11.746 8.513 640 HD2 LYS 73 2HD LYS 73 -0.681 -13.065 10.457 641 HD3 LYS 73 1HD LYS 73 0.226 -13.684 9.080 642 HE2 LYS 73 2HE LYS 73 1.629 -13.671 11.074 643 HE3 LYS 73 1HE LYS 73 2.246 -12.501 9.909 644 HZ1 LYS 73 3HZ LYS 73 1.157 -10.743 11.186 645 HZ2 LYS 73 1HZ LYS 73 2.258 -11.597 12.139 646 HZ3 LYS 73 2HZ LYS 73 0.602 -11.876 12.306 647 H GLY 74 H GLY 74 1.193 -9.504 5.808 648 HA2 GLY 74 2HA GLY 74 2.173 -9.041 3.787 649 HA3 GLY 74 1HA GLY 74 3.674 -8.754 4.658 650 H LEU 75 H LEU 75 1.582 -11.521 3.953 651 HA LEU 75 HA LEU 75 3.608 -13.467 3.965 652 HB2 LEU 75 2HB LEU 75 0.736 -13.470 2.987 653 HB3 LEU 75 1HB LEU 75 1.742 -14.906 2.918 654 HG LEU 75 HG LEU 75 1.050 -13.427 5.485 655 HD11 LEU 75 1HD1 LEU 75 -0.420 -15.332 5.995 656 HD12 LEU 75 2HD1 LEU 75 -0.114 -16.009 4.393 657 HD13 LEU 75 3HD1 LEU 75 -0.956 -14.464 4.556 658 HD21 LEU 75 3HD2 LEU 75 1.997 -15.425 6.603 659 HD22 LEU 75 1HD2 LEU 75 3.201 -14.572 5.636 660 HD23 LEU 75 2HD2 LEU 75 2.485 -16.068 5.032 661 HA PRO 76 HA PRO 76 5.342 -12.410 0.019 662 HB2 PRO 76 2HB PRO 76 7.306 -14.287 -0.100 663 HB3 PRO 76 1HB PRO 76 7.318 -13.016 1.140 664 HG2 PRO 76 2HG PRO 76 6.385 -15.864 1.393 665 HG3 PRO 76 1HG PRO 76 7.435 -14.931 2.480 666 HD2 PRO 76 2HD PRO 76 4.779 -15.252 2.958 667 HD3 PRO 76 1HD PRO 76 5.675 -13.797 3.451 668 H GLY 77 H GLY 77 5.377 -12.981 -2.138 669 HA2 GLY 77 2HA GLY 77 5.166 -15.477 -3.335 670 HA3 GLY 77 1HA GLY 77 3.515 -14.879 -3.148 671 H GLN 78 H GLN 78 4.395 -15.286 -5.697 672 HA GLN 78 HA GLN 78 5.289 -12.722 -6.797 673 HB2 GLN 78 2HB GLN 78 6.102 -14.912 -7.757 674 HB3 GLN 78 1HB GLN 78 4.464 -15.241 -8.305 675 HG2 GLN 78 2HG GLN 78 4.527 -13.275 -9.770 676 HG3 GLN 78 1HG GLN 78 6.142 -12.870 -9.195 677 HE21 GLN 78 1HE2 GLN 78 5.212 -13.408 -11.905 678 HE22 GLN 78 2HE2 GLN 78 6.178 -14.713 -12.489 679 H ALA 79 H ALA 79 3.362 -11.770 -5.697 680 HA ALA 79 HA ALA 79 1.009 -11.685 -7.504 681 HB1 ALA 79 3HB ALA 79 1.087 -11.243 -4.495 682 HB2 ALA 79 1HB ALA 79 0.419 -12.651 -5.325 683 HB3 ALA 79 2HB ALA 79 -0.339 -11.070 -5.521 684 H LEU 80 H LEU 80 3.583 -10.169 -7.595 685 HA LEU 80 HA LEU 80 3.029 -7.450 -6.878 686 HB2 LEU 80 2HB LEU 80 5.052 -8.616 -8.830 687 HB3 LEU 80 1HB LEU 80 4.990 -6.920 -8.367 688 HG LEU 80 HG LEU 80 5.588 -9.253 -6.504 689 HD11 LEU 80 1HD1 LEU 80 7.409 -7.049 -7.513 690 HD12 LEU 80 2HD1 LEU 80 7.456 -8.745 -8.001 691 HD13 LEU 80 3HD1 LEU 80 7.837 -8.298 -6.341 692 HD21 LEU 80 3HD2 LEU 80 4.348 -7.551 -5.294 693 HD22 LEU 80 1HD2 LEU 80 5.423 -6.283 -5.894 694 HD23 LEU 80 2HD2 LEU 80 6.035 -7.517 -4.791 695 H GLY 81 H GLY 81 2.178 -5.805 -8.082 696 HA2 GLY 81 2HA GLY 81 1.174 -4.779 -9.958 697 HA3 GLY 81 1HA GLY 81 1.080 -6.335 -10.770 698 H ASP 82 H ASP 82 0.073 -7.078 -7.777 699 HA ASP 82 HA ASP 82 -2.729 -7.091 -8.443 700 HB2 ASP 82 2HB ASP 82 -1.479 -8.905 -7.107 701 HB3 ASP 82 1HB ASP 82 -1.504 -7.803 -5.736 702 H TYR 83 H TYR 83 -4.400 -6.136 -6.957 703 HA TYR 83 HA TYR 83 -3.600 -3.345 -6.449 704 HB2 TYR 83 2HB TYR 83 -6.279 -4.582 -7.168 705 HB3 TYR 83 1HB TYR 83 -6.040 -2.872 -6.825 706 HD1 TYR 83 HD1 TYR 83 -5.451 -5.561 -9.306 707 HD2 TYR 83 HD2 TYR 83 -4.872 -1.413 -8.437 708 HE1 TYR 83 HE1 TYR 83 -4.878 -5.138 -11.668 709 HE2 TYR 83 HE2 TYR 83 -4.316 -0.997 -10.787 710 HH TYR 83 HH TYR 83 -3.507 -2.177 -12.734 711 H VAL 84 H VAL 84 -4.191 -2.256 -4.638 712 HA VAL 84 HA VAL 84 -5.280 -3.792 -2.341 713 HB VAL 84 HB VAL 84 -4.103 -2.293 -0.856 714 HG11 VAL 84 1HG1 VAL 84 -2.751 -4.149 -1.666 715 HG12 VAL 84 2HG1 VAL 84 -1.732 -2.732 -1.414 716 HG13 VAL 84 3HG1 VAL 84 -2.211 -3.195 -3.049 717 HG21 VAL 84 3HG2 VAL 84 -2.643 -0.445 -1.624 718 HG22 VAL 84 1HG2 VAL 84 -4.328 -0.175 -2.076 719 HG23 VAL 84 2HG2 VAL 84 -3.169 -0.726 -3.286 720 H GLU 85 H GLU 85 -6.621 -2.480 -0.820 721 HA GLU 85 HA GLU 85 -7.868 -0.055 -1.966 722 HB2 GLU 85 2HB GLU 85 -9.322 -2.291 -0.480 723 HB3 GLU 85 1HB GLU 85 -10.031 -0.721 -0.865 724 HG2 GLU 85 2HG GLU 85 -9.508 -1.250 -3.322 725 HG3 GLU 85 1HG GLU 85 -9.171 -2.893 -2.785 726 H ILE 86 H ILE 86 -7.177 1.552 -0.781 727 HA ILE 86 HA ILE 86 -6.308 1.292 1.974 728 HB ILE 86 HB ILE 86 -6.412 3.775 0.182 729 HG12 ILE 86 2HG1 ILE 86 -4.006 1.964 0.716 730 HG13 ILE 86 1HG1 ILE 86 -4.964 1.911 -0.757 731 HG21 ILE 86 1HG2 ILE 86 -6.274 4.310 2.592 732 HG22 ILE 86 2HG2 ILE 86 -4.780 4.744 1.760 733 HG23 ILE 86 3HG2 ILE 86 -4.846 3.281 2.742 734 HD11 ILE 86 3HD1 ILE 86 -3.291 4.230 0.205 735 HD12 ILE 86 1HD1 ILE 86 -4.297 4.229 -1.249 736 HD13 ILE 86 2HD1 ILE 86 -2.926 3.128 -1.122 737 H VAL 87 H VAL 87 -7.881 1.347 3.506 738 HA VAL 87 HA VAL 87 -10.381 2.820 3.247 739 HB VAL 87 HB VAL 87 -9.318 1.234 5.633 740 HG11 VAL 87 1HG1 VAL 87 -11.184 2.719 6.199 741 HG12 VAL 87 2HG1 VAL 87 -11.686 1.030 6.279 742 HG13 VAL 87 3HG1 VAL 87 -12.157 2.023 4.897 743 HG21 VAL 87 3HG2 VAL 87 -10.587 -0.696 4.804 744 HG22 VAL 87 1HG2 VAL 87 -9.359 -0.206 3.635 745 HG23 VAL 87 2HG2 VAL 87 -11.054 0.207 3.362 746 H LEU 88 H LEU 88 -10.970 4.588 4.589 747 HA LEU 88 HA LEU 88 -9.062 6.534 5.213 748 HB2 LEU 88 2HB LEU 88 -11.491 6.890 4.734 749 HB3 LEU 88 1HB LEU 88 -11.894 6.234 6.303 750 HG LEU 88 HG LEU 88 -12.032 8.772 6.060 751 HD11 LEU 88 1HD1 LEU 88 -10.224 7.831 8.306 752 HD12 LEU 88 2HD1 LEU 88 -11.987 7.797 8.306 753 HD13 LEU 88 3HD1 LEU 88 -11.141 9.341 8.266 754 HD21 LEU 88 3HD2 LEU 88 -10.045 9.157 4.712 755 HD22 LEU 88 1HD2 LEU 88 -9.006 8.617 6.034 756 HD23 LEU 88 2HD2 LEU 88 -9.961 10.094 6.202 757 H GLU 89 H GLU 89 -10.823 4.332 7.369 758 HA GLU 89 HA GLU 89 -9.376 5.155 9.769 759 HB2 GLU 89 2HB GLU 89 -10.897 3.548 10.914 760 HB3 GLU 89 1HB GLU 89 -11.772 4.707 9.925 761 HG2 GLU 89 2HG GLU 89 -11.918 2.937 8.124 762 HG3 GLU 89 1HG GLU 89 -11.240 1.796 9.280 763 H HIS 90 H HIS 90 -8.811 3.021 11.233 764 HA HIS 90 HA HIS 90 -7.513 0.978 9.593 765 HB2 HIS 90 2HB HIS 90 -5.406 1.050 10.924 766 HB3 HIS 90 1HB HIS 90 -5.665 2.483 9.940 767 HD1 HIS 90 HD1 HIS 90 -6.706 4.598 11.373 768 HD2 HIS 90 HD2 HIS 90 -4.722 1.637 13.527 769 HE1 HIS 90 HE1 HIS 90 -6.084 5.654 13.569 770 HE2 HIS 90 HE2 HIS 90 -4.886 3.855 14.843 771 H HIS 91 H HIS 91 -7.757 1.799 13.079 772 HA HIS 91 HA HIS 91 -9.475 -0.313 13.737 773 HB2 HIS 91 2HB HIS 91 -7.383 -1.686 13.200 774 HB3 HIS 91 1HB HIS 91 -6.581 -0.893 14.552 775 HD1 HIS 91 HD1 HIS 91 -7.238 -1.661 16.930 776 HD2 HIS 91 HD2 HIS 91 -9.362 -3.586 13.916 777 HE1 HIS 91 HE1 HIS 91 -8.444 -3.558 18.053 778 HE2 HIS 91 HE2 HIS 91 -9.831 -4.614 16.244 Start of MODEL 4 1 H1 MET 1 1H MET 1 -15.463 5.864 2.111 2 H2 MET 1 2H MET 1 -14.281 5.012 2.965 3 H3 MET 1 3H MET 1 -15.075 4.282 1.663 4 HA MET 1 HA MET 1 -14.112 5.772 0.122 5 HB2 MET 1 2HB MET 1 -12.825 7.049 2.575 6 HB3 MET 1 1HB MET 1 -12.323 7.398 0.922 7 HG2 MET 1 2HG MET 1 -15.076 7.923 2.077 8 HG3 MET 1 1HG MET 1 -13.827 9.136 1.779 9 HE1 MET 1 3HE MET 1 -16.895 9.255 0.626 10 HE2 MET 1 1HE MET 1 -16.603 9.814 -1.021 11 HE3 MET 1 2HE MET 1 -15.725 10.542 0.325 12 H ARG 2 H ARG 2 -13.372 3.807 -0.574 13 HA ARG 2 HA ARG 2 -10.783 2.813 0.454 14 HB2 ARG 2 2HB ARG 2 -12.814 1.512 -1.421 15 HB3 ARG 2 1HB ARG 2 -11.234 0.826 -1.050 16 HG2 ARG 2 2HG ARG 2 -11.890 0.701 1.353 17 HG3 ARG 2 1HG ARG 2 -13.497 1.290 0.918 18 HD2 ARG 2 2HD ARG 2 -13.912 -0.696 -0.432 19 HD3 ARG 2 1HD ARG 2 -12.249 -1.252 -0.200 20 HE ARG 2 HE ARG 2 -13.913 -0.904 2.179 21 HH11 ARG 2 1HH1 ARG 2 -12.512 -3.184 -0.119 22 HH12 ARG 2 2HH1 ARG 2 -12.746 -4.548 0.929 23 HH21 ARG 2 1HH2 ARG 2 -14.175 -2.693 3.538 24 HH22 ARG 2 2HH2 ARG 2 -13.689 -4.270 2.997 25 H ILE 3 H ILE 3 -9.012 3.359 -0.624 26 HA ILE 3 HA ILE 3 -9.176 4.594 -3.296 27 HB ILE 3 HB ILE 3 -6.838 4.561 -1.318 28 HG12 ILE 3 2HG1 ILE 3 -8.874 6.792 -1.807 29 HG13 ILE 3 1HG1 ILE 3 -8.909 5.702 -0.426 30 HG21 ILE 3 1HG2 ILE 3 -5.920 6.429 -2.670 31 HG22 ILE 3 2HG2 ILE 3 -7.268 6.280 -3.799 32 HG23 ILE 3 3HG2 ILE 3 -6.101 4.965 -3.642 33 HD11 ILE 3 3HD1 ILE 3 -7.990 7.858 0.149 34 HD12 ILE 3 1HD1 ILE 3 -6.715 7.663 -1.054 35 HD13 ILE 3 2HD1 ILE 3 -6.787 6.584 0.342 36 H LYS 4 H LYS 4 -8.229 3.618 -5.051 37 HA LYS 4 HA LYS 4 -7.592 0.772 -4.785 38 HB2 LYS 4 2HB LYS 4 -9.310 1.584 -6.418 39 HB3 LYS 4 1HB LYS 4 -8.073 2.517 -7.249 40 HG2 LYS 4 2HG LYS 4 -6.915 0.425 -7.881 41 HG3 LYS 4 1HG LYS 4 -8.152 -0.514 -7.033 42 HD2 LYS 4 2HD LYS 4 -9.883 0.453 -8.574 43 HD3 LYS 4 1HD LYS 4 -8.603 1.299 -9.444 44 HE2 LYS 4 2HE LYS 4 -7.609 -0.879 -10.063 45 HE3 LYS 4 1HE LYS 4 -8.907 -1.713 -9.204 46 HZ1 LYS 4 3HZ LYS 4 -10.495 -0.609 -10.728 47 HZ2 LYS 4 1HZ LYS 4 -9.413 -1.635 -11.532 48 HZ3 LYS 4 2HZ LYS 4 -9.193 0.038 -11.589 49 H GLY 5 H GLY 5 -5.523 0.105 -4.737 50 HA2 GLY 5 2HA GLY 5 -3.349 1.774 -5.910 51 HA3 GLY 5 1HA GLY 5 -3.208 0.975 -4.346 52 H VAL 6 H VAL 6 -1.303 0.456 -6.154 53 HA VAL 6 HA VAL 6 -1.839 -2.311 -7.075 54 HB VAL 6 HB VAL 6 -0.168 -0.185 -8.521 55 HG11 VAL 6 1HG1 VAL 6 0.293 -1.896 -10.254 56 HG12 VAL 6 2HG1 VAL 6 -0.520 -3.118 -9.271 57 HG13 VAL 6 3HG1 VAL 6 0.969 -2.367 -8.693 58 HG21 VAL 6 3HG2 VAL 6 -2.582 0.061 -8.900 59 HG22 VAL 6 1HG2 VAL 6 -2.702 -1.633 -9.381 60 HG23 VAL 6 2HG2 VAL 6 -1.785 -0.495 -10.372 61 H VAL 7 H VAL 7 -0.315 -3.777 -6.591 62 HA VAL 7 HA VAL 7 1.567 -3.294 -4.492 63 HB VAL 7 HB VAL 7 1.122 -5.775 -6.225 64 HG11 VAL 7 1HG1 VAL 7 2.505 -5.540 -3.529 65 HG12 VAL 7 2HG1 VAL 7 3.288 -5.854 -5.080 66 HG13 VAL 7 3HG1 VAL 7 2.178 -7.042 -4.396 67 HG21 VAL 7 3HG2 VAL 7 -0.122 -5.057 -3.542 68 HG22 VAL 7 1HG2 VAL 7 -0.317 -6.599 -4.382 69 HG23 VAL 7 2HG2 VAL 7 -0.952 -5.115 -5.098 70 H LEU 8 H LEU 8 3.538 -2.375 -4.884 71 HA LEU 8 HA LEU 8 4.843 -2.667 -7.506 72 HB2 LEU 8 2HB LEU 8 5.728 -0.983 -5.124 73 HB3 LEU 8 1HB LEU 8 6.392 -0.925 -6.751 74 HG LEU 8 HG LEU 8 3.656 0.036 -5.839 75 HD11 LEU 8 1HD1 LEU 8 6.015 1.523 -7.036 76 HD12 LEU 8 2HD1 LEU 8 5.440 1.603 -5.368 77 HD13 LEU 8 3HD1 LEU 8 4.436 2.227 -6.670 78 HD21 LEU 8 3HD2 LEU 8 4.660 -0.138 -8.701 79 HD22 LEU 8 1HD2 LEU 8 3.194 0.695 -8.169 80 HD23 LEU 8 2HD2 LEU 8 3.325 -1.052 -7.993 81 H SER 9 H SER 9 5.707 -3.117 -4.028 82 HA SER 9 HA SER 9 7.466 -5.357 -4.655 83 HB2 SER 9 2HB SER 9 8.632 -2.770 -3.515 84 HB3 SER 9 1HB SER 9 9.498 -4.303 -3.627 85 HG SER 9 HG SER 9 8.767 -4.038 -6.007 86 H TYR 10 H TYR 10 8.048 -6.618 -2.862 87 HA TYR 10 HA TYR 10 6.931 -5.898 -0.203 88 HB2 TYR 10 2HB TYR 10 7.913 -8.676 -1.007 89 HB3 TYR 10 1HB TYR 10 6.915 -8.235 0.373 90 HD1 TYR 10 HD2 TYR 10 4.550 -7.083 -0.339 91 HD2 TYR 10 HD1 TYR 10 6.850 -9.734 -2.788 92 HE1 TYR 10 HE2 TYR 10 2.540 -7.642 -1.651 93 HE2 TYR 10 HE1 TYR 10 4.844 -10.279 -4.088 94 HH TYR 10 HH TYR 10 2.332 -10.252 -3.688 95 H ARG 11 H ARG 11 8.398 -5.355 1.298 96 HA ARG 11 HA ARG 11 11.150 -6.468 1.208 97 HB2 ARG 11 2HB ARG 11 10.913 -3.933 0.708 98 HB3 ARG 11 1HB ARG 11 10.349 -3.733 2.358 99 HG2 ARG 11 2HG ARG 11 13.076 -4.872 1.646 100 HG3 ARG 11 1HG ARG 11 12.787 -3.155 1.908 101 HD2 ARG 11 2HD ARG 11 12.082 -3.660 4.251 102 HD3 ARG 11 1HD ARG 11 12.433 -5.370 3.971 103 HE ARG 11 HE ARG 11 14.468 -3.217 3.852 104 HH11 ARG 11 1HH1 ARG 11 13.585 -6.498 4.785 105 HH12 ARG 11 2HH1 ARG 11 15.157 -6.855 5.416 106 HH21 ARG 11 1HH2 ARG 11 16.499 -3.723 4.658 107 HH22 ARG 11 2HH2 ARG 11 16.797 -5.284 5.336 108 H ARG 12 H ARG 12 11.015 -8.093 2.770 109 HA ARG 12 HA ARG 12 9.127 -7.917 4.938 110 HB2 ARG 12 2HB ARG 12 9.600 -10.100 3.883 111 HB3 ARG 12 1HB ARG 12 11.276 -10.022 4.422 112 HG2 ARG 12 2HG ARG 12 10.578 -10.151 6.759 113 HG3 ARG 12 1HG ARG 12 8.878 -10.067 6.295 114 HD2 ARG 12 2HD ARG 12 9.559 -12.363 6.872 115 HD3 ARG 12 1HD ARG 12 9.046 -12.244 5.187 116 HE ARG 12 HE ARG 12 11.817 -11.906 5.246 117 HH11 ARG 12 1HH1 ARG 12 9.536 -14.490 6.010 118 HH12 ARG 12 2HH1 ARG 12 10.667 -15.752 5.626 119 HH21 ARG 12 1HH2 ARG 12 13.259 -13.558 4.720 120 HH22 ARG 12 2HH2 ARG 12 12.783 -15.219 4.892 121 H SER 13 H SER 13 9.462 -7.189 6.908 122 HA SER 13 HA SER 13 11.805 -5.662 7.524 123 HB2 SER 13 2HB SER 13 9.507 -4.910 8.076 124 HB3 SER 13 1HB SER 13 9.316 -6.268 9.184 125 HG SER 13 HG SER 13 10.585 -5.297 10.611 126 H LYS 14 H LYS 14 13.590 -6.476 8.417 127 HA LYS 14 HA LYS 14 13.847 -9.015 9.672 128 HB2 LYS 14 2HB LYS 14 15.751 -8.080 8.510 129 HB3 LYS 14 1HB LYS 14 15.719 -6.620 9.493 130 HG2 LYS 14 2HG LYS 14 16.417 -7.905 11.471 131 HG3 LYS 14 1HG LYS 14 16.392 -9.401 10.536 132 HD2 LYS 14 2HD LYS 14 18.216 -7.025 9.992 133 HD3 LYS 14 1HD LYS 14 18.692 -8.487 10.861 134 HE2 LYS 14 2HE LYS 14 17.844 -8.304 7.952 135 HE3 LYS 14 1HE LYS 14 19.466 -8.631 8.563 136 HZ1 LYS 14 3HZ LYS 14 17.098 -10.387 8.939 137 HZ2 LYS 14 1HZ LYS 14 18.657 -10.698 9.506 138 HZ3 LYS 14 2HZ LYS 14 18.359 -10.650 7.848 139 H GLU 15 H GLU 15 12.888 -9.412 11.563 140 HA GLU 15 HA GLU 15 13.502 -7.978 13.982 141 HB2 GLU 15 2HB GLU 15 11.702 -6.545 12.895 142 HB3 GLU 15 1HB GLU 15 10.606 -7.911 12.995 143 HG2 GLU 15 2HG GLU 15 10.167 -6.273 14.767 144 HG3 GLU 15 1HG GLU 15 10.683 -7.819 15.450 145 H ASN 16 H ASN 16 12.490 -9.061 15.900 146 HA ASN 16 HA ASN 16 12.228 -11.898 15.678 147 HB2 ASN 16 2HB ASN 16 11.701 -11.919 18.056 148 HB3 ASN 16 1HB ASN 16 12.990 -10.749 17.791 149 HD21 ASN 16 1HD2 ASN 16 12.504 -8.515 18.050 150 HD22 ASN 16 2HD2 ASN 16 11.082 -7.990 18.879 151 H GLN 17 H GLN 17 9.938 -9.222 15.822 152 HA GLN 17 HA GLN 17 7.582 -10.926 15.553 153 HB2 GLN 17 2HB GLN 17 7.553 -8.810 16.930 154 HB3 GLN 17 1HB GLN 17 7.797 -7.881 15.454 155 HG2 GLN 17 2HG GLN 17 5.644 -8.836 14.573 156 HG3 GLN 17 1HG GLN 17 5.397 -9.611 16.138 157 HE21 GLN 17 1HE2 GLN 17 4.963 -8.264 17.976 158 HE22 GLN 17 2HE2 GLN 17 4.403 -6.639 17.782 159 H HIS 18 H HIS 18 7.235 -11.770 13.598 160 HA HIS 18 HA HIS 18 8.342 -11.022 11.151 161 HB2 HIS 18 2HB HIS 18 6.743 -12.580 10.101 162 HB3 HIS 18 1HB HIS 18 7.353 -13.282 11.589 163 HD1 HIS 18 HD1 HIS 18 4.296 -12.800 9.821 164 HD2 HIS 18 HD2 HIS 18 5.351 -12.846 13.823 165 HE1 HIS 18 HE1 HIS 18 2.146 -13.083 11.078 166 HE2 HIS 18 HE2 HIS 18 2.804 -12.916 13.494 167 H ASN 19 H ASN 19 7.949 -9.323 9.898 168 HA ASN 19 HA ASN 19 5.306 -8.147 9.540 169 HB2 ASN 19 2HB ASN 19 6.560 -7.077 11.636 170 HB3 ASN 19 1HB ASN 19 7.567 -6.293 10.430 171 HD21 ASN 19 1HD2 ASN 19 4.074 -6.932 10.615 172 HD22 ASN 19 2HD2 ASN 19 3.594 -5.284 10.433 173 H ASN 20 H ASN 20 5.531 -6.309 7.816 174 HA ASN 20 HA ASN 20 8.021 -6.382 6.279 175 HB2 ASN 20 2HB ASN 20 7.080 -7.043 4.179 176 HB3 ASN 20 1HB ASN 20 6.466 -8.221 5.333 177 HD21 ASN 20 1HD2 ASN 20 5.626 -5.817 3.020 178 HD22 ASN 20 2HD2 ASN 20 3.911 -5.939 3.195 179 H VAL 21 H VAL 21 8.412 -4.564 5.164 180 HA VAL 21 HA VAL 21 6.504 -2.373 4.996 181 HB VAL 21 HB VAL 21 9.240 -2.652 3.631 182 HG11 VAL 21 1HG1 VAL 21 7.797 -0.975 2.578 183 HG12 VAL 21 2HG1 VAL 21 9.121 -0.181 3.433 184 HG13 VAL 21 3HG1 VAL 21 7.503 -0.206 4.143 185 HG21 VAL 21 3HG2 VAL 21 9.515 -2.787 6.078 186 HG22 VAL 21 1HG2 VAL 21 8.608 -1.279 6.280 187 HG23 VAL 21 2HG2 VAL 21 10.173 -1.277 5.448 188 H MET 22 H MET 22 5.480 -1.827 3.032 189 HA MET 22 HA MET 22 5.843 -3.597 0.707 190 HB2 MET 22 2HB MET 22 3.955 -4.456 2.116 191 HB3 MET 22 1HB MET 22 3.143 -2.906 1.951 192 HG2 MET 22 2HG MET 22 2.904 -3.253 -0.448 193 HG3 MET 22 1HG MET 22 3.816 -4.765 -0.345 194 HE1 MET 22 3HE MET 22 0.050 -5.808 -1.025 195 HE2 MET 22 1HE MET 22 1.691 -5.868 -1.660 196 HE3 MET 22 2HE MET 22 0.824 -4.331 -1.590 197 H ILE 23 H ILE 23 6.400 -2.276 -0.854 198 HA ILE 23 HA ILE 23 5.710 0.536 -0.903 199 HB ILE 23 HB ILE 23 7.212 -1.141 -2.977 200 HG12 ILE 23 2HG1 ILE 23 8.401 -1.199 -0.818 201 HG13 ILE 23 1HG1 ILE 23 9.293 -0.196 -1.955 202 HG21 ILE 23 1HG2 ILE 23 8.096 1.013 -3.806 203 HG22 ILE 23 2HG2 ILE 23 7.102 1.882 -2.635 204 HG23 ILE 23 3HG2 ILE 23 6.336 0.958 -3.927 205 HD11 ILE 23 3HD1 ILE 23 9.315 0.823 0.215 206 HD12 ILE 23 1HD1 ILE 23 7.559 0.761 0.325 207 HD13 ILE 23 2HD1 ILE 23 8.336 1.820 -0.854 208 H ILE 24 H ILE 24 3.917 1.276 -1.777 209 HA ILE 24 HA ILE 24 2.409 -0.272 -3.831 210 HB ILE 24 HB ILE 24 1.309 1.113 -1.330 211 HG12 ILE 24 2HG1 ILE 24 1.094 -1.829 -2.121 212 HG13 ILE 24 1HG1 ILE 24 2.271 -1.195 -0.978 213 HG21 ILE 24 1HG2 ILE 24 -0.293 -0.165 -3.575 214 HG22 ILE 24 2HG2 ILE 24 -0.193 1.561 -3.224 215 HG23 ILE 24 3HG2 ILE 24 -0.954 0.469 -2.067 216 HD11 ILE 24 3HD1 ILE 24 0.434 -2.221 0.180 217 HD12 ILE 24 1HD1 ILE 24 -0.726 -1.172 -0.638 218 HD13 ILE 24 2HD1 ILE 24 0.442 -0.486 0.495 219 H LYS 25 H LYS 25 1.549 1.054 -5.475 220 HA LYS 25 HA LYS 25 1.619 3.996 -5.052 221 HB2 LYS 25 2HB LYS 25 3.061 3.387 -6.943 222 HB3 LYS 25 1HB LYS 25 1.759 2.451 -7.678 223 HG2 LYS 25 2HG LYS 25 0.426 4.545 -7.926 224 HG3 LYS 25 1HG LYS 25 1.774 5.462 -7.250 225 HD2 LYS 25 2HD LYS 25 3.178 4.873 -9.168 226 HD3 LYS 25 1HD LYS 25 1.906 3.824 -9.810 227 HE2 LYS 25 2HE LYS 25 1.990 6.011 -10.977 228 HE3 LYS 25 1HE LYS 25 0.446 5.759 -10.162 229 HZ1 LYS 25 3HZ LYS 25 1.115 7.221 -8.409 230 HZ2 LYS 25 1HZ LYS 25 1.377 8.014 -9.878 231 HZ3 LYS 25 2HZ LYS 25 2.686 7.362 -9.030 232 HA PRO 26 HA PRO 26 -2.925 3.409 -5.377 233 HB2 PRO 26 2HB PRO 26 -2.941 6.264 -4.540 234 HB3 PRO 26 1HB PRO 26 -3.754 4.873 -3.795 235 HG2 PRO 26 2HG PRO 26 -1.638 6.073 -2.628 236 HG3 PRO 26 1HG PRO 26 -1.933 4.327 -2.478 237 HD2 PRO 26 2HD PRO 26 0.023 5.761 -4.259 238 HD3 PRO 26 1HD PRO 26 0.231 4.257 -3.331 239 H LEU 27 H LEU 27 -3.958 3.728 -7.258 240 HA LEU 27 HA LEU 27 -2.798 4.987 -9.497 241 HB2 LEU 27 2HB LEU 27 -5.661 4.052 -9.054 242 HB3 LEU 27 1HB LEU 27 -4.992 4.494 -10.621 243 HG LEU 27 HG LEU 27 -4.003 2.183 -8.897 244 HD11 LEU 27 1HD1 LEU 27 -5.019 0.695 -10.563 245 HD12 LEU 27 2HD1 LEU 27 -5.701 2.088 -11.409 246 HD13 LEU 27 3HD1 LEU 27 -6.230 1.703 -9.769 247 HD21 LEU 27 3HD2 LEU 27 -2.689 1.524 -10.881 248 HD22 LEU 27 1HD2 LEU 27 -2.199 3.101 -10.262 249 HD23 LEU 27 2HD2 LEU 27 -3.200 2.995 -11.713 250 H ASP 28 H ASP 28 -5.161 6.108 -7.177 251 HA ASP 28 HA ASP 28 -5.983 8.513 -8.489 252 HB2 ASP 28 2HB ASP 28 -7.304 7.376 -6.703 253 HB3 ASP 28 1HB ASP 28 -6.039 7.725 -5.532 254 H VAL 29 H VAL 29 -3.263 7.624 -6.531 255 HA VAL 29 HA VAL 29 -2.575 10.407 -5.847 256 HB VAL 29 HB VAL 29 -1.726 7.743 -4.638 257 HG11 VAL 29 1HG1 VAL 29 0.158 9.274 -4.489 258 HG12 VAL 29 2HG1 VAL 29 -0.554 9.031 -2.899 259 HG13 VAL 29 3HG1 VAL 29 -0.867 10.520 -3.786 260 HG21 VAL 29 3HG2 VAL 29 -3.461 9.972 -3.508 261 HG22 VAL 29 1HG2 VAL 29 -2.972 8.511 -2.646 262 HG23 VAL 29 2HG2 VAL 29 -4.021 8.390 -4.058 263 H ASN 30 H ASN 30 -1.337 11.246 -7.348 264 HA ASN 30 HA ASN 30 1.133 9.874 -8.259 265 HB2 ASN 30 2HB ASN 30 -0.684 11.752 -9.850 266 HB3 ASN 30 1HB ASN 30 0.879 11.174 -10.412 267 HD21 ASN 30 1HD2 ASN 30 -2.406 10.189 -9.585 268 HD22 ASN 30 2HD2 ASN 30 -2.409 8.732 -10.513 269 H SER 31 H SER 31 0.311 11.858 -6.039 270 HA SER 31 HA SER 31 2.607 13.676 -6.348 271 HB2 SER 31 2HB SER 31 0.648 15.036 -6.953 272 HB3 SER 31 1HB SER 31 -0.201 14.529 -5.496 273 HG SER 31 HG SER 31 0.743 16.600 -5.279 274 H ARG 32 H ARG 32 3.414 14.479 -4.282 275 HA ARG 32 HA ARG 32 3.588 12.427 -2.326 276 HB2 ARG 32 2HB ARG 32 5.418 14.126 -2.888 277 HB3 ARG 32 1HB ARG 32 4.505 15.314 -1.970 278 HG2 ARG 32 2HG ARG 32 4.685 13.705 0.023 279 HG3 ARG 32 1HG ARG 32 5.848 12.794 -0.941 280 HD2 ARG 32 2HD ARG 32 7.122 14.231 0.486 281 HD3 ARG 32 1HD ARG 32 7.205 14.950 -1.126 282 HE ARG 32 HE ARG 32 5.037 16.108 0.193 283 HH11 ARG 32 1HH1 ARG 32 8.530 16.094 0.539 284 HH12 ARG 32 2HH1 ARG 32 8.582 17.653 1.296 285 HH21 ARG 32 1HH2 ARG 32 5.121 18.116 1.272 286 HH22 ARG 32 2HH2 ARG 32 6.661 18.791 1.711 287 H GLU 33 H GLU 33 1.834 15.509 -2.478 288 HA GLU 33 HA GLU 33 0.970 15.772 0.188 289 HB2 GLU 33 2HB GLU 33 -0.407 16.691 -2.370 290 HB3 GLU 33 1HB GLU 33 -0.849 17.225 -0.748 291 HG2 GLU 33 2HG GLU 33 1.374 18.252 -0.476 292 HG3 GLU 33 1HG GLU 33 1.822 17.709 -2.097 293 H GLU 34 H GLU 34 -0.554 14.204 -2.586 294 HA GLU 34 HA GLU 34 -2.996 13.429 -1.373 295 HB2 GLU 34 2HB GLU 34 -1.581 12.127 -3.730 296 HB3 GLU 34 1HB GLU 34 -3.294 12.000 -3.341 297 HG2 GLU 34 2HG GLU 34 -3.583 14.394 -3.801 298 HG3 GLU 34 1HG GLU 34 -1.858 14.540 -4.158 299 H ALA 35 H ALA 35 0.179 11.915 -1.605 300 HA ALA 35 HA ALA 35 -0.547 9.401 -0.384 301 HB1 ALA 35 3HB ALA 35 1.349 9.563 -1.951 302 HB2 ALA 35 1HB ALA 35 1.889 8.970 -0.380 303 HB3 ALA 35 2HB ALA 35 2.193 10.647 -0.843 304 H SER 36 H SER 36 0.441 12.532 0.730 305 HA SER 36 HA SER 36 1.547 11.755 3.268 306 HB2 SER 36 2HB SER 36 2.312 13.776 2.028 307 HB3 SER 36 1HB SER 36 0.731 14.515 2.247 308 HG SER 36 HG SER 36 2.212 15.257 3.794 309 H LYS 37 H LYS 37 -1.648 12.726 2.127 310 HA LYS 37 HA LYS 37 -2.754 12.900 4.821 311 HB2 LYS 37 2HB LYS 37 -4.922 13.248 3.710 312 HB3 LYS 37 1HB LYS 37 -3.680 14.308 3.055 313 HG2 LYS 37 2HG LYS 37 -3.430 12.636 1.133 314 HG3 LYS 37 1HG LYS 37 -4.882 11.844 1.752 315 HD2 LYS 37 2HD LYS 37 -5.483 13.376 -0.059 316 HD3 LYS 37 1HD LYS 37 -6.148 13.969 1.464 317 HE2 LYS 37 2HE LYS 37 -4.138 15.514 1.624 318 HE3 LYS 37 1HE LYS 37 -3.707 15.011 -0.013 319 HZ1 LYS 37 3HZ LYS 37 -5.839 15.857 -0.783 320 HZ2 LYS 37 1HZ LYS 37 -4.948 17.073 -0.014 321 HZ3 LYS 37 2HZ LYS 37 -6.241 16.337 0.786 322 H LEU 38 H LEU 38 -1.811 10.314 2.963 323 HA LEU 38 HA LEU 38 -3.931 8.481 3.812 324 HB2 LEU 38 2HB LEU 38 -1.370 7.831 2.303 325 HB3 LEU 38 1HB LEU 38 -2.762 6.778 2.520 326 HG LEU 38 HG LEU 38 -2.560 9.254 0.785 327 HD11 LEU 38 1HD1 LEU 38 -1.667 7.244 -0.235 328 HD12 LEU 38 2HD1 LEU 38 -3.148 7.737 -1.051 329 HD13 LEU 38 3HD1 LEU 38 -3.172 6.376 0.076 330 HD21 LEU 38 3HD2 LEU 38 -4.719 9.390 1.875 331 HD22 LEU 38 1HD2 LEU 38 -5.089 7.719 1.439 332 HD23 LEU 38 2HD2 LEU 38 -4.932 8.953 0.182 333 H ILE 39 H ILE 39 -1.267 9.798 5.267 334 HA ILE 39 HA ILE 39 -0.022 7.580 6.519 335 HB ILE 39 HB ILE 39 -0.142 10.455 7.549 336 HG12 ILE 39 2HG1 ILE 39 0.799 10.555 5.333 337 HG13 ILE 39 1HG1 ILE 39 2.151 10.675 6.449 338 HG21 ILE 39 1HG2 ILE 39 0.601 8.921 9.308 339 HG22 ILE 39 2HG2 ILE 39 1.957 9.909 8.765 340 HG23 ILE 39 3HG2 ILE 39 1.822 8.230 8.233 341 HD11 ILE 39 3HD1 ILE 39 2.738 9.289 4.602 342 HD12 ILE 39 1HD1 ILE 39 1.323 8.270 4.845 343 HD13 ILE 39 2HD1 ILE 39 2.622 8.278 6.041 344 H GLY 40 H GLY 40 -0.895 6.254 7.909 345 HA2 GLY 40 2HA GLY 40 -1.747 5.696 10.030 346 HA3 GLY 40 1HA GLY 40 -2.663 7.195 10.064 347 H ARG 41 H ARG 41 -3.082 5.841 6.994 348 HA ARG 41 HA ARG 41 -5.745 4.862 7.740 349 HB2 ARG 41 2HB ARG 41 -4.476 5.205 4.988 350 HB3 ARG 41 1HB ARG 41 -6.138 4.690 5.274 351 HG2 ARG 41 2HG ARG 41 -6.541 6.893 6.426 352 HG3 ARG 41 1HG ARG 41 -4.919 7.386 5.933 353 HD2 ARG 41 2HD ARG 41 -5.648 6.959 3.527 354 HD3 ARG 41 1HD ARG 41 -7.297 6.775 4.145 355 HE ARG 41 HE ARG 41 -5.971 9.221 4.954 356 HH11 ARG 41 1HH1 ARG 41 -8.017 7.788 2.455 357 HH12 ARG 41 2HH1 ARG 41 -8.621 9.322 1.913 358 HH21 ARG 41 1HH2 ARG 41 -6.728 11.196 4.209 359 HH22 ARG 41 2HH2 ARG 41 -7.887 11.265 2.914 360 H LEU 42 H LEU 42 -6.580 2.874 6.803 361 HA LEU 42 HA LEU 42 -4.773 0.613 7.276 362 HB2 LEU 42 2HB LEU 42 -6.994 0.708 8.401 363 HB3 LEU 42 1HB LEU 42 -7.794 0.793 6.842 364 HG LEU 42 HG LEU 42 -6.985 -1.525 6.327 365 HD11 LEU 42 1HD1 LEU 42 -5.956 -1.535 9.176 366 HD12 LEU 42 2HD1 LEU 42 -4.983 -1.608 7.704 367 HD13 LEU 42 3HD1 LEU 42 -6.062 -2.939 8.109 368 HD21 LEU 42 3HD2 LEU 42 -8.540 -2.703 7.836 369 HD22 LEU 42 1HD2 LEU 42 -9.231 -1.200 7.226 370 HD23 LEU 42 2HD2 LEU 42 -8.612 -1.278 8.878 371 H VAL 43 H VAL 43 -4.223 -0.837 5.660 372 HA VAL 43 HA VAL 43 -5.331 -0.432 2.942 373 HB VAL 43 HB VAL 43 -2.418 -1.205 3.491 374 HG11 VAL 43 1HG1 VAL 43 -3.282 -1.980 1.334 375 HG12 VAL 43 2HG1 VAL 43 -2.117 -0.681 1.081 376 HG13 VAL 43 3HG1 VAL 43 -3.845 -0.352 0.942 377 HG21 VAL 43 3HG2 VAL 43 -3.480 1.545 2.742 378 HG22 VAL 43 1HG2 VAL 43 -1.776 1.085 2.823 379 HG23 VAL 43 2HG2 VAL 43 -2.758 1.095 4.290 380 H LEU 44 H LEU 44 -6.246 -2.232 2.216 381 HA LEU 44 HA LEU 44 -5.728 -4.822 3.526 382 HB2 LEU 44 2HB LEU 44 -8.158 -3.845 1.962 383 HB3 LEU 44 1HB LEU 44 -7.995 -5.439 2.684 384 HG LEU 44 HG LEU 44 -8.197 -2.792 4.170 385 HD11 LEU 44 1HD1 LEU 44 -10.326 -3.665 5.019 386 HD12 LEU 44 2HD1 LEU 44 -10.134 -5.125 4.046 387 HD13 LEU 44 3HD1 LEU 44 -10.336 -3.558 3.259 388 HD21 LEU 44 3HD2 LEU 44 -7.824 -5.577 5.322 389 HD22 LEU 44 1HD2 LEU 44 -8.191 -4.121 6.252 390 HD23 LEU 44 2HD2 LEU 44 -6.665 -4.246 5.383 391 H TRP 45 H TRP 45 -4.090 -5.693 2.294 392 HA TRP 45 HA TRP 45 -4.469 -5.983 -0.615 393 HB2 TRP 45 2HB TRP 45 -2.182 -5.455 0.053 394 HB3 TRP 45 1HB TRP 45 -2.154 -6.790 1.200 395 HD1 TRP 45 HD1 TRP 45 -2.928 -6.632 -2.654 396 HE1 TRP 45 HE1 TRP 45 -1.600 -8.514 -3.793 397 HE3 TRP 45 HE3 TRP 45 -0.554 -8.546 1.432 398 HZ2 TRP 45 HZ2 TRP 45 0.231 -10.521 -3.052 399 HZ3 TRP 45 HZ3 TRP 45 1.002 -10.443 1.131 400 HH2 TRP 45 HH2 TRP 45 1.373 -11.423 -1.089 401 H LYS 46 H LYS 46 -4.799 -7.929 -1.549 402 HA LYS 46 HA LYS 46 -5.725 -10.191 0.100 403 HB2 LYS 46 2HB LYS 46 -7.432 -9.327 -1.393 404 HB3 LYS 46 1HB LYS 46 -6.308 -9.292 -2.746 405 HG2 LYS 46 2HG LYS 46 -6.196 -11.848 -2.555 406 HG3 LYS 46 1HG LYS 46 -7.557 -11.730 -1.438 407 HD2 LYS 46 2HD LYS 46 -8.197 -12.263 -3.813 408 HD3 LYS 46 1HD LYS 46 -8.989 -10.829 -3.158 409 HE2 LYS 46 2HE LYS 46 -8.141 -10.613 -5.546 410 HE3 LYS 46 1HE LYS 46 -7.576 -9.359 -4.444 411 HZ1 LYS 46 3HZ LYS 46 -5.464 -10.527 -4.253 412 HZ2 LYS 46 1HZ LYS 46 -5.804 -10.191 -5.875 413 HZ3 LYS 46 2HZ LYS 46 -6.016 -11.754 -5.277 414 H SER 47 H SER 47 -3.838 -11.273 0.481 415 HA SER 47 HA SER 47 -1.746 -11.798 -1.327 416 HB2 SER 47 2HB SER 47 -1.016 -13.505 0.317 417 HB3 SER 47 1HB SER 47 -1.494 -12.020 1.133 418 HG SER 47 HG SER 47 -3.063 -13.052 2.088 419 HA PRO 48 HA PRO 48 -3.419 -15.234 -3.771 420 HB2 PRO 48 2HB PRO 48 -1.109 -16.515 -4.506 421 HB3 PRO 48 1HB PRO 48 -1.588 -14.942 -5.185 422 HG2 PRO 48 2HG PRO 48 0.343 -15.497 -2.957 423 HG3 PRO 48 1HG PRO 48 0.529 -14.425 -4.365 424 HD2 PRO 48 2HD PRO 48 -0.179 -13.456 -1.937 425 HD3 PRO 48 1HD PRO 48 -0.810 -12.748 -3.442 426 H SER 49 H SER 49 -1.827 -15.574 -0.778 427 HA SER 49 HA SER 49 -2.174 -18.355 -0.258 428 HB2 SER 49 2HB SER 49 -0.700 -16.842 1.096 429 HB3 SER 49 1HB SER 49 -2.127 -15.997 1.692 430 HG SER 49 HG SER 49 -2.213 -18.725 2.014 431 H GLY 50 H GLY 50 -4.372 -15.727 -0.554 432 HA2 GLY 50 2HA GLY 50 -6.699 -15.736 -0.524 433 HA3 GLY 50 1HA GLY 50 -6.687 -17.310 0.263 434 H LYS 51 H LYS 51 -4.935 -14.430 1.289 435 HA LYS 51 HA LYS 51 -6.659 -14.130 3.689 436 HB2 LYS 51 2HB LYS 51 -3.611 -14.100 3.489 437 HB3 LYS 51 1HB LYS 51 -4.471 -13.454 4.881 438 HG2 LYS 51 2HG LYS 51 -4.732 -16.322 3.960 439 HG3 LYS 51 1HG LYS 51 -3.527 -15.776 5.128 440 HD2 LYS 51 2HD LYS 51 -5.392 -14.941 6.584 441 HD3 LYS 51 1HD LYS 51 -6.548 -15.627 5.439 442 HE2 LYS 51 2HE LYS 51 -5.738 -17.872 5.900 443 HE3 LYS 51 1HE LYS 51 -4.437 -17.240 6.912 444 HZ1 LYS 51 3HZ LYS 51 -7.353 -17.061 7.485 445 HZ2 LYS 51 1HZ LYS 51 -6.135 -16.368 8.436 446 HZ3 LYS 51 2HZ LYS 51 -6.230 -18.046 8.275 447 H ILE 52 H ILE 52 -7.340 -12.103 3.984 448 HA ILE 52 HA ILE 52 -6.235 -9.923 2.343 449 HB ILE 52 HB ILE 52 -8.711 -9.971 4.133 450 HG12 ILE 52 2HG1 ILE 52 -8.394 -9.880 1.089 451 HG13 ILE 52 1HG1 ILE 52 -8.951 -11.261 2.023 452 HG21 ILE 52 1HG2 ILE 52 -7.743 -7.710 4.184 453 HG22 ILE 52 2HG2 ILE 52 -9.223 -7.709 3.221 454 HG23 ILE 52 3HG2 ILE 52 -7.652 -7.687 2.417 455 HD11 ILE 52 3HD1 ILE 52 -10.951 -9.993 2.669 456 HD12 ILE 52 1HD1 ILE 52 -10.792 -10.178 0.924 457 HD13 ILE 52 2HD1 ILE 52 -10.399 -8.635 1.684 458 H LEU 53 H LEU 53 -4.303 -9.525 3.212 459 HA LEU 53 HA LEU 53 -3.755 -9.374 6.024 460 HB2 LEU 53 2HB LEU 53 -2.005 -8.408 3.721 461 HB3 LEU 53 1HB LEU 53 -1.488 -8.747 5.365 462 HG LEU 53 HG LEU 53 -2.329 -10.758 3.243 463 HD11 LEU 53 1HD1 LEU 53 -0.059 -11.624 3.469 464 HD12 LEU 53 2HD1 LEU 53 0.314 -10.411 4.696 465 HD13 LEU 53 3HD1 LEU 53 -0.031 -9.915 3.037 466 HD21 LEU 53 3HD2 LEU 53 -1.721 -11.329 6.162 467 HD22 LEU 53 1HD2 LEU 53 -1.905 -12.543 4.894 468 HD23 LEU 53 2HD2 LEU 53 -3.272 -11.533 5.346 469 H LYS 54 H LYS 54 -3.581 -7.602 7.260 470 HA LYS 54 HA LYS 54 -4.596 -5.033 6.253 471 HB2 LYS 54 2HB LYS 54 -4.191 -6.012 9.116 472 HB3 LYS 54 1HB LYS 54 -4.981 -4.512 8.635 473 HG2 LYS 54 2HG LYS 54 -6.785 -5.799 7.550 474 HG3 LYS 54 1HG LYS 54 -5.981 -7.307 7.988 475 HD2 LYS 54 2HD LYS 54 -7.819 -6.841 9.530 476 HD3 LYS 54 1HD LYS 54 -6.275 -6.775 10.384 477 HE2 LYS 54 2HE LYS 54 -6.346 -4.259 10.152 478 HE3 LYS 54 1HE LYS 54 -7.968 -4.419 9.477 479 HZ1 LYS 54 3HZ LYS 54 -8.050 -3.910 11.820 480 HZ2 LYS 54 1HZ LYS 54 -7.117 -5.274 12.192 481 HZ3 LYS 54 2HZ LYS 54 -8.668 -5.461 11.551 482 H GLY 55 H GLY 55 -3.349 -3.238 6.282 483 HA2 GLY 55 2HA GLY 55 -0.715 -3.207 7.616 484 HA3 GLY 55 1HA GLY 55 -0.810 -2.889 5.884 485 H LYS 56 H LYS 56 0.287 -0.919 7.230 486 HA LYS 56 HA LYS 56 -1.731 1.192 7.121 487 HB2 LYS 56 2HB LYS 56 -1.762 0.486 9.477 488 HB3 LYS 56 1HB LYS 56 -0.025 0.723 9.606 489 HG2 LYS 56 2HG LYS 56 -0.194 3.035 9.731 490 HG3 LYS 56 1HG LYS 56 -1.649 3.100 8.740 491 HD2 LYS 56 2HD LYS 56 -1.548 2.190 11.646 492 HD3 LYS 56 1HD LYS 56 -2.080 3.777 11.085 493 HE2 LYS 56 2HE LYS 56 -3.843 2.521 9.687 494 HE3 LYS 56 1HE LYS 56 -3.423 1.095 10.644 495 HZ1 LYS 56 3HZ LYS 56 -4.419 3.679 11.725 496 HZ2 LYS 56 1HZ LYS 56 -4.039 2.313 12.645 497 HZ3 LYS 56 2HZ LYS 56 -5.332 2.266 11.557 498 H ILE 57 H ILE 57 -1.007 2.918 6.181 499 HA ILE 57 HA ILE 57 1.653 3.135 5.131 500 HB ILE 57 HB ILE 57 -0.653 5.143 5.106 501 HG12 ILE 57 2HG1 ILE 57 0.199 3.205 2.910 502 HG13 ILE 57 1HG1 ILE 57 -1.114 2.893 4.036 503 HG21 ILE 57 1HG2 ILE 57 1.513 6.251 4.654 504 HG22 ILE 57 2HG2 ILE 57 0.501 6.229 3.210 505 HG23 ILE 57 3HG2 ILE 57 1.844 5.093 3.362 506 HD11 ILE 57 3HD1 ILE 57 -1.002 5.102 1.995 507 HD12 ILE 57 1HD1 ILE 57 -2.293 4.871 3.183 508 HD13 ILE 57 2HD1 ILE 57 -1.991 3.642 1.953 509 H VAL 58 H VAL 58 3.234 3.580 6.544 510 HA VAL 58 HA VAL 58 2.858 5.326 8.857 511 HB VAL 58 HB VAL 58 5.242 4.736 9.418 512 HG11 VAL 58 1HG1 VAL 58 3.432 2.344 8.886 513 HG12 VAL 58 2HG1 VAL 58 3.393 3.381 10.316 514 HG13 VAL 58 3HG1 VAL 58 4.805 2.371 9.999 515 HG21 VAL 58 3HG2 VAL 58 5.100 2.937 6.960 516 HG22 VAL 58 1HG2 VAL 58 6.416 2.975 8.140 517 HG23 VAL 58 2HG2 VAL 58 6.103 4.383 7.120 518 H ARG 59 H ARG 59 4.457 5.429 5.699 519 HA ARG 59 HA ARG 59 4.897 8.303 5.911 520 HB2 ARG 59 2HB ARG 59 7.177 6.308 5.742 521 HB3 ARG 59 1HB ARG 59 7.348 7.882 4.971 522 HG2 ARG 59 2HG ARG 59 7.013 9.014 7.100 523 HG3 ARG 59 1HG ARG 59 6.715 7.476 7.900 524 HD2 ARG 59 2HD ARG 59 9.026 6.773 7.437 525 HD3 ARG 59 1HD ARG 59 9.323 8.300 6.592 526 HE ARG 59 HE ARG 59 8.476 9.128 9.022 527 HH11 ARG 59 1HH1 ARG 59 11.013 6.867 8.102 528 HH12 ARG 59 2HH1 ARG 59 11.988 7.213 9.494 529 HH21 ARG 59 1HH2 ARG 59 9.754 9.594 10.822 530 HH22 ARG 59 2HH2 ARG 59 11.271 8.772 11.052 531 H VAL 60 H VAL 60 6.271 8.878 3.754 532 HA VAL 60 HA VAL 60 4.769 7.725 1.462 533 HB VAL 60 HB VAL 60 4.922 9.908 0.338 534 HG11 VAL 60 1HG1 VAL 60 3.406 11.233 1.762 535 HG12 VAL 60 2HG1 VAL 60 3.812 10.222 3.152 536 HG13 VAL 60 3HG1 VAL 60 2.964 9.523 1.770 537 HG21 VAL 60 3HG2 VAL 60 5.797 11.932 1.484 538 HG22 VAL 60 1HG2 VAL 60 7.061 10.722 1.241 539 HG23 VAL 60 2HG2 VAL 60 6.337 10.930 2.836 540 H HIS 61 H HIS 61 5.951 8.060 -0.648 541 HA HIS 61 HA HIS 61 8.891 8.051 -0.459 542 HB2 HIS 61 2HB HIS 61 8.221 5.668 -0.539 543 HB3 HIS 61 1HB HIS 61 7.213 5.964 -1.951 544 HD1 HIS 61 HD1 HIS 61 10.837 5.738 -0.903 545 HD2 HIS 61 HD2 HIS 61 8.571 5.909 -4.389 546 HE1 HIS 61 HE1 HIS 61 12.439 5.285 -2.783 547 HE2 HIS 61 HE2 HIS 61 11.022 5.255 -4.855 548 H GLY 62 H GLY 62 9.166 9.997 -1.374 549 HA2 GLY 62 2HA GLY 62 9.472 11.560 -2.994 550 HA3 GLY 62 1HA GLY 62 9.137 10.299 -4.168 551 H THR 63 H THR 63 8.366 12.415 -5.168 552 HA THR 63 HA THR 63 5.584 13.139 -4.594 553 HB THR 63 HB THR 63 5.941 14.762 -6.493 554 HG1 THR 63 HG1 THR 63 8.022 14.954 -7.358 555 HG21 THR 63 3HG2 THR 63 7.538 16.237 -5.330 556 HG22 THR 63 1HG2 THR 63 8.086 14.882 -4.337 557 HG23 THR 63 2HG2 THR 63 6.435 15.486 -4.177 558 H LYS 64 H LYS 64 6.794 10.523 -5.813 559 HA LYS 64 HA LYS 64 5.577 10.145 -8.375 560 HB2 LYS 64 2HB LYS 64 6.648 8.109 -6.354 561 HB3 LYS 64 1HB LYS 64 6.128 7.711 -7.982 562 HG2 LYS 64 2HG LYS 64 8.507 7.749 -8.014 563 HG3 LYS 64 1HG LYS 64 7.977 9.204 -8.860 564 HD2 LYS 64 2HD LYS 64 8.439 10.544 -6.821 565 HD3 LYS 64 1HD LYS 64 8.964 9.084 -5.978 566 HE2 LYS 64 2HE LYS 64 10.878 10.418 -6.775 567 HE3 LYS 64 1HE LYS 64 10.841 8.837 -7.551 568 HZ1 LYS 64 3HZ LYS 64 9.889 9.859 -9.514 569 HZ2 LYS 64 1HZ LYS 64 11.349 10.614 -9.115 570 HZ3 LYS 64 2HZ LYS 64 9.879 11.374 -8.769 571 H GLY 65 H GLY 65 4.577 9.899 -5.064 572 HA2 GLY 65 2HA GLY 65 2.362 9.791 -4.309 573 HA3 GLY 65 1HA GLY 65 1.866 9.052 -5.825 574 H ALA 66 H ALA 66 4.604 7.451 -5.024 575 HA ALA 66 HA ALA 66 3.343 5.074 -4.150 576 HB1 ALA 66 3HB ALA 66 5.477 5.039 -5.396 577 HB2 ALA 66 1HB ALA 66 5.633 4.194 -3.854 578 HB3 ALA 66 2HB ALA 66 6.294 5.821 -4.040 579 H VAL 67 H VAL 67 2.851 4.416 -2.137 580 HA VAL 67 HA VAL 67 3.606 6.050 0.185 581 HB VAL 67 HB VAL 67 1.699 4.973 1.360 582 HG11 VAL 67 1HG1 VAL 67 0.902 6.194 -1.309 583 HG12 VAL 67 2HG1 VAL 67 1.325 7.081 0.157 584 HG13 VAL 67 3HG1 VAL 67 -0.126 6.079 0.125 585 HG21 VAL 67 3HG2 VAL 67 1.129 3.557 -1.279 586 HG22 VAL 67 1HG2 VAL 67 0.065 3.559 0.134 587 HG23 VAL 67 2HG2 VAL 67 1.650 2.791 0.223 588 H ARG 68 H ARG 68 4.308 5.132 2.056 589 HA ARG 68 HA ARG 68 5.832 2.609 1.878 590 HB2 ARG 68 2HB ARG 68 6.984 4.781 2.447 591 HB3 ARG 68 1HB ARG 68 5.934 4.958 3.840 592 HG2 ARG 68 2HG ARG 68 7.948 4.205 4.745 593 HG3 ARG 68 1HG ARG 68 6.957 2.746 4.680 594 HD2 ARG 68 2HD ARG 68 8.116 2.037 2.630 595 HD3 ARG 68 1HD ARG 68 9.078 3.523 2.640 596 HE ARG 68 HE ARG 68 9.185 1.523 4.822 597 HH11 ARG 68 1HH1 ARG 68 10.870 3.623 2.566 598 HH12 ARG 68 2HH1 ARG 68 12.435 3.239 3.200 599 HH21 ARG 68 1HH2 ARG 68 11.236 1.039 5.648 600 HH22 ARG 68 2HH2 ARG 68 12.642 1.776 4.943 601 H ALA 69 H ALA 69 4.440 0.964 2.502 602 HA ALA 69 HA ALA 69 2.583 1.394 4.781 603 HB1 ALA 69 3HB ALA 69 1.492 0.822 2.651 604 HB2 ALA 69 1HB ALA 69 1.257 -0.458 3.844 605 HB3 ALA 69 2HB ALA 69 2.436 -0.668 2.543 606 H ARG 70 H ARG 70 2.284 -0.338 6.282 607 HA ARG 70 HA ARG 70 4.459 -2.323 6.550 608 HB2 ARG 70 2HB ARG 70 3.381 -0.446 8.698 609 HB3 ARG 70 1HB ARG 70 4.287 -1.900 9.094 610 HG2 ARG 70 2HG ARG 70 5.370 0.350 7.363 611 HG3 ARG 70 1HG ARG 70 5.644 0.228 9.098 612 HD2 ARG 70 2HD ARG 70 6.451 -1.902 7.107 613 HD3 ARG 70 1HD ARG 70 7.526 -0.638 7.709 614 HE ARG 70 HE ARG 70 6.214 -2.458 9.621 615 HH11 ARG 70 1HH1 ARG 70 9.212 -1.372 8.124 616 HH12 ARG 70 2HH1 ARG 70 10.216 -2.189 9.277 617 HH21 ARG 70 1HH2 ARG 70 7.547 -3.494 11.121 618 HH22 ARG 70 2HH2 ARG 70 9.273 -3.391 10.970 619 H PHE 71 H PHE 71 3.306 -4.111 6.004 620 HA PHE 71 HA PHE 71 0.643 -4.604 7.119 621 HB2 PHE 71 2HB PHE 71 2.298 -6.047 5.021 622 HB3 PHE 71 1HB PHE 71 0.845 -6.770 5.702 623 HD1 PHE 71 HD1 PHE 71 1.952 -3.522 4.141 624 HD2 PHE 71 HD2 PHE 71 -1.147 -6.444 4.540 625 HE1 PHE 71 HE1 PHE 71 0.571 -2.297 2.509 626 HE2 PHE 71 HE2 PHE 71 -2.504 -5.212 2.917 627 HZ PHE 71 HZ PHE 71 -1.657 -3.146 1.903 628 H GLU 72 H GLU 72 0.152 -6.214 8.520 629 HA GLU 72 HA GLU 72 1.939 -6.492 10.669 630 HB2 GLU 72 2HB GLU 72 -0.650 -8.032 10.196 631 HB3 GLU 72 1HB GLU 72 0.152 -7.789 11.750 632 HG2 GLU 72 2HG GLU 72 -0.281 -5.369 11.611 633 HG3 GLU 72 1HG GLU 72 -1.050 -5.590 10.036 634 H LYS 73 H LYS 73 0.939 -8.790 8.191 635 HA LYS 73 HA LYS 73 2.042 -11.075 9.631 636 HB2 LYS 73 2HB LYS 73 0.619 -11.035 6.937 637 HB3 LYS 73 1HB LYS 73 0.897 -12.440 7.969 638 HG2 LYS 73 2HG LYS 73 -0.891 -10.067 8.586 639 HG3 LYS 73 1HG LYS 73 -1.426 -11.690 8.144 640 HD2 LYS 73 2HD LYS 73 -0.542 -12.586 10.255 641 HD3 LYS 73 1HD LYS 73 0.145 -11.014 10.672 642 HE2 LYS 73 2HE LYS 73 -2.131 -10.055 10.783 643 HE3 LYS 73 1HE LYS 73 -2.815 -11.632 10.383 644 HZ1 LYS 73 3HZ LYS 73 -1.259 -10.945 12.814 645 HZ2 LYS 73 1HZ LYS 73 -1.772 -12.506 12.424 646 HZ3 LYS 73 2HZ LYS 73 -2.907 -11.293 12.736 647 H GLY 74 H GLY 74 2.497 -9.577 6.401 648 HA2 GLY 74 2HA GLY 74 4.329 -9.531 5.012 649 HA3 GLY 74 1HA GLY 74 5.289 -10.245 6.298 650 H LEU 75 H LEU 75 2.348 -11.630 4.881 651 HA LEU 75 HA LEU 75 3.607 -14.120 4.340 652 HB2 LEU 75 2HB LEU 75 0.861 -13.065 3.591 653 HB3 LEU 75 1HB LEU 75 1.412 -14.660 3.097 654 HG LEU 75 HG LEU 75 1.004 -13.698 5.955 655 HD11 LEU 75 1HD1 LEU 75 -1.089 -14.238 4.812 656 HD12 LEU 75 2HD1 LEU 75 -0.734 -15.422 6.067 657 HD13 LEU 75 3HD1 LEU 75 -0.465 -15.830 4.369 658 HD21 LEU 75 3HD2 LEU 75 1.654 -15.976 6.656 659 HD22 LEU 75 1HD2 LEU 75 2.984 -15.129 5.867 660 HD23 LEU 75 2HD2 LEU 75 2.087 -16.370 4.990 661 HA PRO 76 HA PRO 76 5.317 -12.983 0.346 662 HB2 PRO 76 2HB PRO 76 6.070 -15.832 0.014 663 HB3 PRO 76 1HB PRO 76 7.124 -14.431 0.288 664 HG2 PRO 76 2HG PRO 76 6.773 -16.334 2.183 665 HG3 PRO 76 1HG PRO 76 7.036 -14.624 2.598 666 HD2 PRO 76 2HD PRO 76 4.426 -16.140 2.455 667 HD3 PRO 76 1HD PRO 76 5.032 -15.053 3.731 668 H GLY 77 H GLY 77 4.955 -13.452 -1.878 669 HA2 GLY 77 2HA GLY 77 3.497 -15.375 -3.130 670 HA3 GLY 77 1HA GLY 77 2.262 -14.290 -2.489 671 H GLN 78 H GLN 78 4.199 -14.889 -5.087 672 HA GLN 78 HA GLN 78 4.958 -12.345 -6.042 673 HB2 GLN 78 2HB GLN 78 5.975 -14.487 -6.761 674 HB3 GLN 78 1HB GLN 78 4.463 -14.966 -7.521 675 HG2 GLN 78 2HG GLN 78 4.710 -13.169 -9.179 676 HG3 GLN 78 1HG GLN 78 6.198 -12.633 -8.398 677 HE21 GLN 78 1HE2 GLN 78 5.758 -13.592 -11.146 678 HE22 GLN 78 2HE2 GLN 78 6.839 -14.923 -11.355 679 H ALA 79 H ALA 79 3.010 -11.184 -5.563 680 HA ALA 79 HA ALA 79 0.910 -11.260 -7.654 681 HB1 ALA 79 3HB ALA 79 -0.700 -10.497 -5.969 682 HB2 ALA 79 1HB ALA 79 0.568 -10.462 -4.742 683 HB3 ALA 79 2HB ALA 79 0.055 -11.999 -5.434 684 H LEU 80 H LEU 80 3.518 -9.864 -7.564 685 HA LEU 80 HA LEU 80 3.176 -7.082 -7.067 686 HB2 LEU 80 2HB LEU 80 5.070 -8.494 -9.005 687 HB3 LEU 80 1HB LEU 80 5.226 -6.824 -8.475 688 HG LEU 80 HG LEU 80 5.457 -9.246 -6.636 689 HD11 LEU 80 1HD1 LEU 80 7.676 -7.531 -7.791 690 HD12 LEU 80 2HD1 LEU 80 7.330 -9.214 -8.196 691 HD13 LEU 80 3HD1 LEU 80 7.865 -8.796 -6.573 692 HD21 LEU 80 3HD2 LEU 80 6.002 -6.310 -6.102 693 HD22 LEU 80 1HD2 LEU 80 6.353 -7.637 -4.991 694 HD23 LEU 80 2HD2 LEU 80 4.687 -7.280 -5.433 695 H GLY 81 H GLY 81 1.545 -5.998 -8.037 696 HA2 GLY 81 2HA GLY 81 0.800 -4.948 -10.172 697 HA3 GLY 81 1HA GLY 81 0.809 -6.558 -10.874 698 H ASP 82 H ASP 82 -0.264 -7.123 -7.855 699 HA ASP 82 HA ASP 82 -3.071 -7.277 -8.525 700 HB2 ASP 82 2HB ASP 82 -1.766 -8.946 -7.048 701 HB3 ASP 82 1HB ASP 82 -1.779 -7.730 -5.779 702 H TYR 83 H TYR 83 -4.675 -6.351 -6.734 703 HA TYR 83 HA TYR 83 -3.987 -3.502 -6.345 704 HB2 TYR 83 2HB TYR 83 -6.739 -4.789 -6.574 705 HB3 TYR 83 1HB TYR 83 -6.419 -3.066 -6.382 706 HD1 TYR 83 HD2 TYR 83 -5.012 -1.905 -8.256 707 HD2 TYR 83 HD1 TYR 83 -6.886 -5.715 -8.765 708 HE1 TYR 83 HE2 TYR 83 -4.889 -1.643 -10.697 709 HE2 TYR 83 HE1 TYR 83 -6.750 -5.454 -11.200 710 HH TYR 83 HH TYR 83 -4.852 -3.115 -12.709 711 H VAL 84 H VAL 84 -4.250 -2.536 -4.468 712 HA VAL 84 HA VAL 84 -5.157 -4.023 -2.068 713 HB VAL 84 HB VAL 84 -3.772 -2.539 -0.720 714 HG11 VAL 84 1HG1 VAL 84 -1.501 -3.162 -1.427 715 HG12 VAL 84 2HG1 VAL 84 -2.096 -3.574 -3.038 716 HG13 VAL 84 3HG1 VAL 84 -2.617 -4.513 -1.639 717 HG21 VAL 84 3HG2 VAL 84 -2.316 -0.793 -1.684 718 HG22 VAL 84 1HG2 VAL 84 -4.017 -0.460 -2.014 719 HG23 VAL 84 2HG2 VAL 84 -2.981 -1.112 -3.288 720 H GLU 85 H GLU 85 -6.279 -2.581 -0.463 721 HA GLU 85 HA GLU 85 -7.747 -0.315 -1.711 722 HB2 GLU 85 2HB GLU 85 -8.917 -2.402 0.185 723 HB3 GLU 85 1HB GLU 85 -9.779 -1.023 -0.502 724 HG2 GLU 85 2HG GLU 85 -9.423 -1.981 -2.785 725 HG3 GLU 85 1HG GLU 85 -8.645 -3.381 -2.044 726 H ILE 86 H ILE 86 -6.991 1.445 -0.703 727 HA ILE 86 HA ILE 86 -6.123 1.421 2.063 728 HB ILE 86 HB ILE 86 -6.336 3.783 0.132 729 HG12 ILE 86 2HG1 ILE 86 -3.927 2.015 0.784 730 HG13 ILE 86 1HG1 ILE 86 -4.834 1.982 -0.723 731 HG21 ILE 86 1HG2 ILE 86 -4.790 3.529 2.745 732 HG22 ILE 86 2HG2 ILE 86 -6.242 4.501 2.495 733 HG23 ILE 86 3HG2 ILE 86 -4.748 4.922 1.657 734 HD11 ILE 86 3HD1 ILE 86 -2.762 3.161 -0.991 735 HD12 ILE 86 1HD1 ILE 86 -3.183 4.281 0.304 736 HD13 ILE 86 2HD1 ILE 86 -4.118 4.270 -1.194 737 H VAL 87 H VAL 87 -7.878 0.985 3.206 738 HA VAL 87 HA VAL 87 -10.425 2.281 2.991 739 HB VAL 87 HB VAL 87 -9.241 0.402 5.091 740 HG11 VAL 87 1HG1 VAL 87 -11.082 1.669 6.088 741 HG12 VAL 87 2HG1 VAL 87 -11.547 -0.015 5.848 742 HG13 VAL 87 3HG1 VAL 87 -12.142 1.228 4.745 743 HG21 VAL 87 3HG2 VAL 87 -10.565 -1.362 3.965 744 HG22 VAL 87 1HG2 VAL 87 -9.395 -0.633 2.863 745 HG23 VAL 87 2HG2 VAL 87 -11.103 -0.196 2.753 746 H LEU 88 H LEU 88 -11.015 4.115 3.927 747 HA LEU 88 HA LEU 88 -9.388 5.756 5.574 748 HB2 LEU 88 2HB LEU 88 -11.286 6.438 3.990 749 HB3 LEU 88 1HB LEU 88 -12.418 5.874 5.200 750 HG LEU 88 HG LEU 88 -12.070 8.397 5.062 751 HD11 LEU 88 1HD1 LEU 88 -13.121 7.419 7.042 752 HD12 LEU 88 2HD1 LEU 88 -12.150 8.829 7.452 753 HD13 LEU 88 3HD1 LEU 88 -11.538 7.209 7.797 754 HD21 LEU 88 3HD2 LEU 88 -9.383 7.788 6.334 755 HD22 LEU 88 1HD2 LEU 88 -10.092 9.392 6.113 756 HD23 LEU 88 2HD2 LEU 88 -9.649 8.425 4.710 757 H GLU 89 H GLU 89 -9.386 5.996 7.811 758 HA GLU 89 HA GLU 89 -9.712 3.718 9.387 759 HB2 GLU 89 2HB GLU 89 -9.246 6.632 10.090 760 HB3 GLU 89 1HB GLU 89 -9.280 5.380 11.327 761 HG2 GLU 89 2HG GLU 89 -7.358 5.501 8.981 762 HG3 GLU 89 1HG GLU 89 -6.988 5.945 10.648 763 H HIS 90 H HIS 90 -11.270 2.921 10.628 764 HA HIS 90 HA HIS 90 -13.736 4.476 11.176 765 HB2 HIS 90 2HB HIS 90 -14.054 2.324 9.947 766 HB3 HIS 90 1HB HIS 90 -13.291 1.452 11.273 767 HD1 HIS 90 HD1 HIS 90 -14.641 1.521 13.620 768 HD2 HIS 90 HD2 HIS 90 -16.780 2.727 10.258 769 HE1 HIS 90 HE1 HIS 90 -17.057 1.474 14.296 770 HE2 HIS 90 HE2 HIS 90 -18.329 2.053 12.208 771 H HIS 91 H HIS 91 -13.037 5.605 12.981 772 HA HIS 91 HA HIS 91 -13.109 4.297 15.517 773 HB2 HIS 91 2HB HIS 91 -10.764 3.778 15.054 774 HB3 HIS 91 1HB HIS 91 -10.427 5.441 14.593 775 HD1 HIS 91 HD1 HIS 91 -9.462 6.861 16.380 776 HD2 HIS 91 HD2 HIS 91 -11.466 3.582 17.968 777 HE1 HIS 91 HE1 HIS 91 -9.053 6.957 18.857 778 HE2 HIS 91 HE2 HIS 91 -10.193 4.916 19.784 Start of MODEL 5 1 H1 MET 1 1H MET 1 -14.178 8.155 0.264 2 H2 MET 1 2H MET 1 -13.112 7.207 -0.646 3 H3 MET 1 3H MET 1 -12.578 7.956 0.768 4 HA MET 1 HA MET 1 -14.002 6.615 2.109 5 HB2 MET 1 2HB MET 1 -15.839 6.383 0.453 6 HB3 MET 1 1HB MET 1 -14.825 5.359 -0.548 7 HG2 MET 1 2HG MET 1 -14.821 3.645 1.231 8 HG3 MET 1 1HG MET 1 -15.869 4.673 2.210 9 HE1 MET 1 3HE MET 1 -19.161 4.731 -0.012 10 HE2 MET 1 1HE MET 1 -17.837 5.887 -0.173 11 HE3 MET 1 2HE MET 1 -18.377 5.379 1.428 12 H ARG 2 H ARG 2 -12.772 4.988 -0.838 13 HA ARG 2 HA ARG 2 -10.434 3.931 0.619 14 HB2 ARG 2 2HB ARG 2 -12.291 2.273 -1.158 15 HB3 ARG 2 1HB ARG 2 -10.695 1.738 -0.634 16 HG2 ARG 2 2HG ARG 2 -11.434 1.801 1.717 17 HG3 ARG 2 1HG ARG 2 -13.029 2.357 1.209 18 HD2 ARG 2 2HD ARG 2 -11.773 -0.316 0.481 19 HD3 ARG 2 1HD ARG 2 -13.010 -0.063 1.716 20 HE ARG 2 HE ARG 2 -13.374 0.258 -1.202 21 HH11 ARG 2 1HH1 ARG 2 -14.837 -0.267 1.976 22 HH12 ARG 2 2HH1 ARG 2 -16.419 -0.537 1.316 23 HH21 ARG 2 1HH2 ARG 2 -15.439 -0.008 -2.006 24 HH22 ARG 2 2HH2 ARG 2 -16.759 -0.388 -0.945 25 H ILE 3 H ILE 3 -8.638 3.429 -0.779 26 HA ILE 3 HA ILE 3 -8.672 4.807 -3.411 27 HB ILE 3 HB ILE 3 -6.542 4.844 -1.221 28 HG12 ILE 3 2HG1 ILE 3 -8.164 7.075 -2.529 29 HG13 ILE 3 1HG1 ILE 3 -8.352 6.473 -0.889 30 HG21 ILE 3 1HG2 ILE 3 -5.091 6.164 -2.715 31 HG22 ILE 3 2HG2 ILE 3 -6.236 5.933 -4.035 32 HG23 ILE 3 3HG2 ILE 3 -5.378 4.546 -3.363 33 HD11 ILE 3 3HD1 ILE 3 -7.238 8.587 -0.871 34 HD12 ILE 3 1HD1 ILE 3 -5.997 8.003 -1.979 35 HD13 ILE 3 2HD1 ILE 3 -6.112 7.337 -0.350 36 H LYS 4 H LYS 4 -7.682 3.719 -5.104 37 HA LYS 4 HA LYS 4 -7.045 0.886 -4.642 38 HB2 LYS 4 2HB LYS 4 -7.171 0.656 -7.100 39 HB3 LYS 4 1HB LYS 4 -8.622 1.401 -6.449 40 HG2 LYS 4 2HG LYS 4 -7.785 3.630 -7.183 41 HG3 LYS 4 1HG LYS 4 -6.371 2.841 -7.889 42 HD2 LYS 4 2HD LYS 4 -8.011 3.275 -9.644 43 HD3 LYS 4 1HD LYS 4 -7.870 1.534 -9.391 44 HE2 LYS 4 2HE LYS 4 -9.951 1.630 -7.981 45 HE3 LYS 4 1HE LYS 4 -10.101 3.338 -8.392 46 HZ1 LYS 4 3HZ LYS 4 -10.209 2.667 -10.751 47 HZ2 LYS 4 1HZ LYS 4 -11.487 2.057 -9.839 48 HZ3 LYS 4 2HZ LYS 4 -10.203 1.047 -10.276 49 H GLY 5 H GLY 5 -4.989 0.065 -4.747 50 HA2 GLY 5 2HA GLY 5 -2.792 1.765 -5.811 51 HA3 GLY 5 1HA GLY 5 -2.694 1.102 -4.186 52 H VAL 6 H VAL 6 -1.206 0.706 -6.851 53 HA VAL 6 HA VAL 6 -1.456 -2.202 -7.213 54 HB VAL 6 HB VAL 6 -0.051 -0.059 -8.876 55 HG11 VAL 6 1HG1 VAL 6 1.262 -2.133 -9.030 56 HG12 VAL 6 2HG1 VAL 6 0.422 -1.823 -10.552 57 HG13 VAL 6 3HG1 VAL 6 -0.196 -3.043 -9.436 58 HG21 VAL 6 3HG2 VAL 6 -1.774 -0.590 -10.574 59 HG22 VAL 6 1HG2 VAL 6 -2.507 -0.039 -9.061 60 HG23 VAL 6 2HG2 VAL 6 -2.504 -1.757 -9.467 61 H VAL 7 H VAL 7 -0.175 -3.398 -5.990 62 HA VAL 7 HA VAL 7 2.098 -2.719 -4.545 63 HB VAL 7 HB VAL 7 1.384 -5.475 -5.661 64 HG11 VAL 7 1HG1 VAL 7 3.136 -4.751 -3.282 65 HG12 VAL 7 2HG1 VAL 7 3.692 -5.412 -4.820 66 HG13 VAL 7 3HG1 VAL 7 2.675 -6.385 -3.756 67 HG21 VAL 7 3HG2 VAL 7 0.532 -4.214 -3.027 68 HG22 VAL 7 1HG2 VAL 7 0.216 -5.882 -3.516 69 HG23 VAL 7 2HG2 VAL 7 -0.513 -4.545 -4.411 70 H LEU 8 H LEU 8 3.821 -1.811 -5.510 71 HA LEU 8 HA LEU 8 4.904 -2.561 -8.073 72 HB2 LEU 8 2HB LEU 8 6.160 -0.936 -5.820 73 HB3 LEU 8 1HB LEU 8 6.731 -1.007 -7.482 74 HG LEU 8 HG LEU 8 4.087 0.200 -6.575 75 HD11 LEU 8 1HD1 LEU 8 5.094 2.369 -7.134 76 HD12 LEU 8 2HD1 LEU 8 6.628 1.580 -7.504 77 HD13 LEU 8 3HD1 LEU 8 5.993 1.552 -5.857 78 HD21 LEU 8 3HD2 LEU 8 5.326 0.121 -9.353 79 HD22 LEU 8 1HD2 LEU 8 3.886 1.036 -8.895 80 HD23 LEU 8 2HD2 LEU 8 3.866 -0.723 -8.826 81 H SER 9 H SER 9 5.854 -3.013 -4.672 82 HA SER 9 HA SER 9 7.435 -5.383 -5.235 83 HB2 SER 9 2HB SER 9 8.992 -3.504 -5.797 84 HB3 SER 9 1HB SER 9 8.799 -2.869 -4.167 85 HG SER 9 HG SER 9 10.689 -4.287 -4.643 86 H TYR 10 H TYR 10 8.497 -6.170 -3.156 87 HA TYR 10 HA TYR 10 6.938 -5.498 -0.721 88 HB2 TYR 10 2HB TYR 10 8.174 -8.209 -1.427 89 HB3 TYR 10 1HB TYR 10 7.245 -7.837 0.021 90 HD1 TYR 10 HD2 TYR 10 4.756 -7.335 -0.200 91 HD2 TYR 10 HD1 TYR 10 7.055 -8.832 -3.479 92 HE1 TYR 10 HE2 TYR 10 2.693 -7.968 -1.372 93 HE2 TYR 10 HE1 TYR 10 4.984 -9.457 -4.645 94 HH TYR 10 HH TYR 10 1.909 -8.377 -3.589 95 H ARG 11 H ARG 11 8.226 -4.560 0.790 96 HA ARG 11 HA ARG 11 11.156 -5.068 0.744 97 HB2 ARG 11 2HB ARG 11 10.442 -2.678 0.683 98 HB3 ARG 11 1HB ARG 11 9.514 -2.907 2.155 99 HG2 ARG 11 2HG ARG 11 11.465 -1.830 2.900 100 HG3 ARG 11 1HG ARG 11 11.773 -3.522 3.280 101 HD2 ARG 11 2HD ARG 11 12.843 -1.995 0.884 102 HD3 ARG 11 1HD ARG 11 13.754 -2.423 2.326 103 HE ARG 11 HE ARG 11 13.230 -4.839 1.597 104 HH11 ARG 11 1HH1 ARG 11 13.849 -2.194 -0.649 105 HH12 ARG 11 2HH1 ARG 11 14.460 -3.235 -1.894 106 HH21 ARG 11 1HH2 ARG 11 13.972 -6.189 -0.081 107 HH22 ARG 11 2HH2 ARG 11 14.529 -5.499 -1.571 108 H ARG 12 H ARG 12 11.563 -6.856 2.010 109 HA ARG 12 HA ARG 12 9.659 -7.501 4.165 110 HB2 ARG 12 2HB ARG 12 11.521 -9.288 2.558 111 HB3 ARG 12 1HB ARG 12 10.577 -9.848 3.936 112 HG2 ARG 12 2HG ARG 12 8.487 -9.089 2.725 113 HG3 ARG 12 1HG ARG 12 9.492 -8.758 1.313 114 HD2 ARG 12 2HD ARG 12 8.330 -10.975 1.199 115 HD3 ARG 12 1HD ARG 12 10.086 -11.108 1.125 116 HE ARG 12 HE ARG 12 10.091 -12.240 3.108 117 HH11 ARG 12 1HH1 ARG 12 6.866 -10.868 2.724 118 HH12 ARG 12 2HH1 ARG 12 6.209 -11.724 4.076 119 HH21 ARG 12 1HH2 ARG 12 9.229 -13.300 4.908 120 HH22 ARG 12 2HH2 ARG 12 7.556 -13.106 5.314 121 H SER 13 H SER 13 10.245 -6.858 6.095 122 HA SER 13 HA SER 13 12.872 -6.886 7.215 123 HB2 SER 13 2HB SER 13 11.032 -5.603 8.272 124 HB3 SER 13 1HB SER 13 10.134 -7.090 8.566 125 HG SER 13 HG SER 13 12.699 -6.511 9.648 126 H LYS 14 H LYS 14 13.990 -8.568 8.113 127 HA LYS 14 HA LYS 14 13.506 -11.215 7.362 128 HB2 LYS 14 2HB LYS 14 15.766 -10.455 7.822 129 HB3 LYS 14 1HB LYS 14 15.357 -10.029 9.479 130 HG2 LYS 14 2HG LYS 14 16.708 -12.085 9.383 131 HG3 LYS 14 1HG LYS 14 15.109 -12.394 10.060 132 HD2 LYS 14 2HD LYS 14 15.711 -14.214 8.571 133 HD3 LYS 14 1HD LYS 14 14.378 -13.309 7.857 134 HE2 LYS 14 2HE LYS 14 16.019 -13.925 6.149 135 HE3 LYS 14 1HE LYS 14 16.005 -12.170 6.344 136 HZ1 LYS 14 3HZ LYS 14 17.992 -14.073 7.461 137 HZ2 LYS 14 1HZ LYS 14 17.975 -12.412 7.788 138 HZ3 LYS 14 2HZ LYS 14 18.249 -12.964 6.217 139 H GLU 15 H GLU 15 11.990 -12.564 8.085 140 HA GLU 15 HA GLU 15 10.548 -13.739 9.359 141 HB2 GLU 15 2HB GLU 15 12.476 -13.003 11.587 142 HB3 GLU 15 1HB GLU 15 11.178 -14.180 11.765 143 HG2 GLU 15 2HG GLU 15 12.213 -15.580 10.012 144 HG3 GLU 15 1HG GLU 15 13.529 -14.416 9.859 145 H ASN 16 H ASN 16 10.220 -10.714 9.133 146 HA ASN 16 HA ASN 16 8.639 -9.157 9.628 147 HB2 ASN 16 2HB ASN 16 7.126 -11.226 9.582 148 HB3 ASN 16 1HB ASN 16 7.266 -11.306 11.332 149 HD21 ASN 16 1HD2 ASN 16 5.083 -10.977 11.761 150 HD22 ASN 16 2HD2 ASN 16 4.240 -9.513 11.391 151 H GLN 17 H GLN 17 11.068 -9.416 11.241 152 HA GLN 17 HA GLN 17 10.738 -9.155 14.017 153 HB2 GLN 17 2HB GLN 17 12.946 -8.242 12.143 154 HB3 GLN 17 1HB GLN 17 13.028 -7.857 13.859 155 HG2 GLN 17 2HG GLN 17 13.054 -10.215 14.443 156 HG3 GLN 17 1HG GLN 17 12.817 -10.676 12.758 157 HE21 GLN 17 1HE2 GLN 17 15.101 -9.383 15.078 158 HE22 GLN 17 2HE2 GLN 17 16.513 -9.617 14.112 159 H HIS 18 H HIS 18 11.466 -6.443 11.770 160 HA HIS 18 HA HIS 18 10.140 -4.553 13.623 161 HB2 HIS 18 2HB HIS 18 12.549 -4.133 12.808 162 HB3 HIS 18 1HB HIS 18 11.869 -3.832 11.210 163 HD1 HIS 18 HD1 HIS 18 12.244 -1.327 11.006 164 HD2 HIS 18 HD2 HIS 18 10.444 -2.359 14.610 165 HE1 HIS 18 HE1 HIS 18 11.601 0.843 12.095 166 HE2 HIS 18 HE2 HIS 18 10.533 0.193 14.271 167 H ASN 19 H ASN 19 8.844 -6.473 11.796 168 HA ASN 19 HA ASN 19 6.891 -6.696 10.795 169 HB2 ASN 19 2HB ASN 19 6.133 -4.728 12.202 170 HB3 ASN 19 1HB ASN 19 6.492 -3.679 10.834 171 HD21 ASN 19 1HD2 ASN 19 5.031 -6.920 10.774 172 HD22 ASN 19 2HD2 ASN 19 3.535 -6.407 10.101 173 H ASN 20 H ASN 20 6.240 -7.037 8.712 174 HA ASN 20 HA ASN 20 8.145 -6.439 6.653 175 HB2 ASN 20 2HB ASN 20 7.084 -8.648 6.690 176 HB3 ASN 20 1HB ASN 20 5.486 -7.923 6.527 177 HD21 ASN 20 1HD2 ASN 20 5.089 -9.124 4.575 178 HD22 ASN 20 2HD2 ASN 20 5.856 -8.715 3.092 179 H VAL 21 H VAL 21 7.956 -5.140 4.963 180 HA VAL 21 HA VAL 21 5.905 -3.015 4.919 181 HB VAL 21 HB VAL 21 8.753 -3.091 3.802 182 HG11 VAL 21 1HG1 VAL 21 7.345 -1.562 2.523 183 HG12 VAL 21 2HG1 VAL 21 8.531 -0.664 3.475 184 HG13 VAL 21 3HG1 VAL 21 6.851 -0.750 4.010 185 HG21 VAL 21 3HG2 VAL 21 9.425 -1.634 5.639 186 HG22 VAL 21 1HG2 VAL 21 8.728 -3.125 6.283 187 HG23 VAL 21 2HG2 VAL 21 7.784 -1.635 6.278 188 H MET 22 H MET 22 5.106 -2.352 2.835 189 HA MET 22 HA MET 22 5.737 -3.988 0.470 190 HB2 MET 22 2HB MET 22 3.647 -4.878 1.473 191 HB3 MET 22 1HB MET 22 2.925 -3.275 1.421 192 HG2 MET 22 2HG MET 22 3.065 -3.312 -1.040 193 HG3 MET 22 1HG MET 22 3.744 -4.939 -0.980 194 HE1 MET 22 3HE MET 22 2.322 -7.039 0.113 195 HE2 MET 22 1HE MET 22 0.654 -6.865 0.647 196 HE3 MET 22 2HE MET 22 1.947 -6.076 1.544 197 H ILE 23 H ILE 23 6.207 -2.706 -1.195 198 HA ILE 23 HA ILE 23 5.792 0.183 -1.078 199 HB ILE 23 HB ILE 23 7.233 -1.488 -3.193 200 HG12 ILE 23 2HG1 ILE 23 8.369 -1.759 -1.027 201 HG13 ILE 23 1HG1 ILE 23 9.358 -0.763 -2.085 202 HG21 ILE 23 1HG2 ILE 23 8.300 0.647 -3.884 203 HG22 ILE 23 2HG2 ILE 23 7.301 1.519 -2.721 204 HG23 ILE 23 3HG2 ILE 23 6.545 0.694 -4.085 205 HD11 ILE 23 3HD1 ILE 23 7.647 0.214 0.206 206 HD12 ILE 23 1HD1 ILE 23 8.596 1.249 -0.868 207 HD13 ILE 23 2HD1 ILE 23 9.403 0.080 0.177 208 H ILE 24 H ILE 24 3.901 0.917 -1.785 209 HA ILE 24 HA ILE 24 2.409 -0.440 -3.974 210 HB ILE 24 HB ILE 24 1.338 1.083 -1.542 211 HG12 ILE 24 2HG1 ILE 24 1.125 -1.901 -2.156 212 HG13 ILE 24 1HG1 ILE 24 2.264 -1.198 -1.015 213 HG21 ILE 24 1HG2 ILE 24 -0.243 -0.332 -3.714 214 HG22 ILE 24 2HG2 ILE 24 -0.127 1.415 -3.494 215 HG23 ILE 24 3HG2 ILE 24 -0.921 0.421 -2.270 216 HD11 ILE 24 3HD1 ILE 24 0.380 -0.409 0.349 217 HD12 ILE 24 1HD1 ILE 24 0.399 -2.158 0.145 218 HD13 ILE 24 2HD1 ILE 24 -0.743 -1.179 -0.777 219 H LYS 25 H LYS 25 1.416 0.952 -5.529 220 HA LYS 25 HA LYS 25 1.945 3.859 -5.333 221 HB2 LYS 25 2HB LYS 25 3.051 2.182 -7.296 222 HB3 LYS 25 1HB LYS 25 1.650 2.836 -8.115 223 HG2 LYS 25 2HG LYS 25 3.944 4.392 -6.901 224 HG3 LYS 25 1HG LYS 25 3.611 4.173 -8.616 225 HD2 LYS 25 2HD LYS 25 1.823 5.685 -6.666 226 HD3 LYS 25 1HD LYS 25 2.988 6.436 -7.754 227 HE2 LYS 25 2HE LYS 25 1.718 5.554 -9.698 228 HE3 LYS 25 1HE LYS 25 0.540 4.840 -8.588 229 HZ1 LYS 25 3HZ LYS 25 -0.193 6.984 -9.461 230 HZ2 LYS 25 1HZ LYS 25 1.159 7.742 -8.797 231 HZ3 LYS 25 2HZ LYS 25 -0.003 7.046 -7.780 232 HA PRO 26 HA PRO 26 -2.672 3.485 -5.514 233 HB2 PRO 26 2HB PRO 26 -2.377 6.304 -4.566 234 HB3 PRO 26 1HB PRO 26 -3.389 5.000 -3.923 235 HG2 PRO 26 2HG PRO 26 -1.209 5.776 -2.609 236 HG3 PRO 26 1HG PRO 26 -1.654 4.054 -2.700 237 HD2 PRO 26 2HD PRO 26 0.442 5.541 -4.278 238 HD3 PRO 26 1HD PRO 26 0.527 3.931 -3.526 239 H LEU 27 H LEU 27 -3.759 3.846 -7.377 240 HA LEU 27 HA LEU 27 -2.489 5.097 -9.593 241 HB2 LEU 27 2HB LEU 27 -5.339 4.071 -9.300 242 HB3 LEU 27 1HB LEU 27 -4.602 4.539 -10.826 243 HG LEU 27 HG LEU 27 -3.743 2.207 -9.063 244 HD11 LEU 27 1HD1 LEU 27 -5.821 1.756 -10.264 245 HD12 LEU 27 2HD1 LEU 27 -4.503 0.786 -10.916 246 HD13 LEU 27 3HD1 LEU 27 -5.067 2.212 -11.795 247 HD21 LEU 27 3HD2 LEU 27 -1.769 3.177 -10.121 248 HD22 LEU 27 1HD2 LEU 27 -2.555 3.142 -11.701 249 HD23 LEU 27 2HD2 LEU 27 -2.158 1.633 -10.875 250 H ASP 28 H ASP 28 -5.235 6.076 -7.569 251 HA ASP 28 HA ASP 28 -5.711 8.529 -9.088 252 HB2 ASP 28 2HB ASP 28 -7.638 8.836 -7.518 253 HB3 ASP 28 1HB ASP 28 -7.671 7.286 -8.346 254 H VAL 29 H VAL 29 -3.502 7.709 -6.782 255 HA VAL 29 HA VAL 29 -3.272 10.470 -5.699 256 HB VAL 29 HB VAL 29 -2.250 7.815 -4.585 257 HG11 VAL 29 1HG1 VAL 29 -1.357 9.104 -2.651 258 HG12 VAL 29 2HG1 VAL 29 -1.686 10.588 -3.535 259 HG13 VAL 29 3HG1 VAL 29 -0.512 9.443 -4.162 260 HG21 VAL 29 3HG2 VAL 29 -4.627 8.219 -4.131 261 HG22 VAL 29 1HG2 VAL 29 -4.241 9.793 -3.427 262 HG23 VAL 29 2HG2 VAL 29 -3.683 8.313 -2.644 263 H ASN 30 H ASN 30 -1.887 11.559 -6.942 264 HA ASN 30 HA ASN 30 0.479 10.203 -8.130 265 HB2 ASN 30 2HB ASN 30 -1.359 12.280 -9.416 266 HB3 ASN 30 1HB ASN 30 0.165 11.742 -10.116 267 HD21 ASN 30 1HD2 ASN 30 -3.079 10.772 -9.262 268 HD22 ASN 30 2HD2 ASN 30 -3.147 9.385 -10.285 269 H SER 31 H SER 31 -0.302 12.298 -5.831 270 HA SER 31 HA SER 31 2.188 13.871 -6.147 271 HB2 SER 31 2HB SER 31 -0.391 14.873 -4.841 272 HB3 SER 31 1HB SER 31 1.106 15.787 -5.052 273 HG SER 31 HG SER 31 -0.719 14.895 -7.009 274 H ARG 32 H ARG 32 3.475 13.967 -4.339 275 HA ARG 32 HA ARG 32 3.397 12.045 -2.320 276 HB2 ARG 32 2HB ARG 32 5.495 13.164 -2.885 277 HB3 ARG 32 1HB ARG 32 4.843 14.728 -2.419 278 HG2 ARG 32 2HG ARG 32 4.705 13.868 -0.034 279 HG3 ARG 32 1HG ARG 32 5.556 12.418 -0.568 280 HD2 ARG 32 2HD ARG 32 7.536 13.681 -1.092 281 HD3 ARG 32 1HD ARG 32 6.672 15.216 -0.917 282 HE ARG 32 HE ARG 32 6.654 13.610 1.472 283 HH11 ARG 32 1HH1 ARG 32 8.528 16.052 -0.255 284 HH12 ARG 32 2HH1 ARG 32 9.332 16.598 1.181 285 HH21 ARG 32 1HH2 ARG 32 7.680 14.407 3.335 286 HH22 ARG 32 2HH2 ARG 32 8.857 15.676 3.197 287 H GLU 33 H GLU 33 2.075 15.335 -2.396 288 HA GLU 33 HA GLU 33 1.549 15.761 0.336 289 HB2 GLU 33 2HB GLU 33 0.068 16.819 -2.115 290 HB3 GLU 33 1HB GLU 33 -0.146 17.442 -0.478 291 HG2 GLU 33 2HG GLU 33 2.252 18.097 -0.429 292 HG3 GLU 33 1HG GLU 33 2.432 17.517 -2.083 293 H GLU 34 H GLU 34 -0.442 14.283 -2.186 294 HA GLU 34 HA GLU 34 -2.794 13.790 -0.674 295 HB2 GLU 34 2HB GLU 34 -1.708 12.245 -3.057 296 HB3 GLU 34 1HB GLU 34 -3.371 12.201 -2.479 297 HG2 GLU 34 2HG GLU 34 -3.659 14.555 -3.107 298 HG3 GLU 34 1HG GLU 34 -1.971 14.626 -3.638 299 H ALA 35 H ALA 35 0.085 11.826 -1.415 300 HA ALA 35 HA ALA 35 -0.594 9.513 0.087 301 HB1 ALA 35 3HB ALA 35 1.779 8.887 -0.198 302 HB2 ALA 35 1HB ALA 35 2.146 10.527 -0.765 303 HB3 ALA 35 2HB ALA 35 1.090 9.478 -1.711 304 H SER 36 H SER 36 0.679 12.608 1.002 305 HA SER 36 HA SER 36 2.067 11.868 3.404 306 HB2 SER 36 2HB SER 36 2.683 13.887 2.105 307 HB3 SER 36 1HB SER 36 1.122 14.616 2.461 308 HG SER 36 HG SER 36 2.168 13.936 4.785 309 H LYS 37 H LYS 37 -1.177 13.087 2.627 310 HA LYS 37 HA LYS 37 -1.988 12.998 5.434 311 HB2 LYS 37 2HB LYS 37 -4.222 13.657 4.623 312 HB3 LYS 37 1HB LYS 37 -2.959 14.728 4.031 313 HG2 LYS 37 2HG LYS 37 -3.019 13.568 1.833 314 HG3 LYS 37 1HG LYS 37 -4.319 12.535 2.432 315 HD2 LYS 37 2HD LYS 37 -5.237 14.354 1.063 316 HD3 LYS 37 1HD LYS 37 -5.764 14.524 2.738 317 HE2 LYS 37 2HE LYS 37 -3.954 16.232 3.073 318 HE3 LYS 37 1HE LYS 37 -3.567 16.102 1.356 319 HZ1 LYS 37 3HZ LYS 37 -5.014 17.986 1.814 320 HZ2 LYS 37 1HZ LYS 37 -6.191 16.957 2.463 321 HZ3 LYS 37 2HZ LYS 37 -5.790 16.862 0.827 322 H LEU 38 H LEU 38 -1.498 10.620 3.114 323 HA LEU 38 HA LEU 38 -3.623 8.840 4.032 324 HB2 LEU 38 2HB LEU 38 -1.295 8.351 2.139 325 HB3 LEU 38 1HB LEU 38 -2.462 7.116 2.589 326 HG LEU 38 HG LEU 38 -2.995 9.630 0.979 327 HD11 LEU 38 1HD1 LEU 38 -3.249 6.703 0.216 328 HD12 LEU 38 2HD1 LEU 38 -1.974 7.811 -0.300 329 HD13 LEU 38 3HD1 LEU 38 -3.636 8.086 -0.813 330 HD21 LEU 38 3HD2 LEU 38 -5.356 8.946 0.862 331 HD22 LEU 38 1HD2 LEU 38 -4.871 9.308 2.516 332 HD23 LEU 38 2HD2 LEU 38 -5.043 7.630 1.996 333 H ILE 39 H ILE 39 -0.723 9.800 5.372 334 HA ILE 39 HA ILE 39 0.203 7.403 6.569 335 HB ILE 39 HB ILE 39 0.322 10.210 7.787 336 HG12 ILE 39 2HG1 ILE 39 1.345 10.270 5.547 337 HG13 ILE 39 1HG1 ILE 39 2.600 10.396 6.770 338 HG21 ILE 39 1HG2 ILE 39 0.842 8.458 9.437 339 HG22 ILE 39 2HG2 ILE 39 2.301 9.366 9.039 340 HG23 ILE 39 3HG2 ILE 39 2.049 7.760 8.351 341 HD11 ILE 39 3HD1 ILE 39 3.162 8.029 6.412 342 HD12 ILE 39 1HD1 ILE 39 3.300 8.993 4.942 343 HD13 ILE 39 2HD1 ILE 39 1.910 7.936 5.169 344 H GLY 40 H GLY 40 -0.823 6.136 8.003 345 HA2 GLY 40 2HA GLY 40 -1.925 5.710 10.060 346 HA3 GLY 40 1HA GLY 40 -2.773 7.243 9.931 347 H ARG 41 H ARG 41 -2.965 5.985 6.895 348 HA ARG 41 HA ARG 41 -5.705 5.076 7.318 349 HB2 ARG 41 2HB ARG 41 -4.094 5.778 4.841 350 HB3 ARG 41 1HB ARG 41 -5.608 4.895 4.693 351 HG2 ARG 41 2HG ARG 41 -5.916 7.328 4.334 352 HG3 ARG 41 1HG ARG 41 -6.852 6.733 5.703 353 HD2 ARG 41 2HD ARG 41 -5.084 7.622 7.241 354 HD3 ARG 41 1HD ARG 41 -4.246 8.294 5.844 355 HE ARG 41 HE ARG 41 -6.706 9.400 5.653 356 HH11 ARG 41 1HH1 ARG 41 -4.336 9.276 8.265 357 HH12 ARG 41 2HH1 ARG 41 -4.843 10.786 8.948 358 HH21 ARG 41 1HH2 ARG 41 -7.316 11.404 6.557 359 HH22 ARG 41 2HH2 ARG 41 -6.519 11.983 7.986 360 H LEU 42 H LEU 42 -6.499 3.069 6.580 361 HA LEU 42 HA LEU 42 -4.699 0.850 7.222 362 HB2 LEU 42 2HB LEU 42 -6.899 1.064 8.366 363 HB3 LEU 42 1HB LEU 42 -7.720 1.027 6.817 364 HG LEU 42 HG LEU 42 -6.753 -1.364 6.534 365 HD11 LEU 42 1HD1 LEU 42 -6.266 -1.100 9.510 366 HD12 LEU 42 2HD1 LEU 42 -5.032 -1.265 8.259 367 HD13 LEU 42 3HD1 LEU 42 -6.156 -2.586 8.563 368 HD21 LEU 42 3HD2 LEU 42 -9.120 -0.959 6.969 369 HD22 LEU 42 1HD2 LEU 42 -8.814 -0.874 8.706 370 HD23 LEU 42 2HD2 LEU 42 -8.572 -2.392 7.837 371 H VAL 43 H VAL 43 -4.281 -0.845 5.735 372 HA VAL 43 HA VAL 43 -5.280 -0.509 2.964 373 HB VAL 43 HB VAL 43 -2.439 -1.402 3.672 374 HG11 VAL 43 1HG1 VAL 43 -3.694 -0.627 1.015 375 HG12 VAL 43 2HG1 VAL 43 -3.279 -2.264 1.529 376 HG13 VAL 43 3HG1 VAL 43 -2.004 -1.073 1.262 377 HG21 VAL 43 3HG2 VAL 43 -3.317 1.349 2.704 378 HG22 VAL 43 1HG2 VAL 43 -1.647 0.809 2.894 379 HG23 VAL 43 2HG2 VAL 43 -2.689 0.969 4.310 380 H LEU 44 H LEU 44 -6.193 -2.316 2.179 381 HA LEU 44 HA LEU 44 -5.869 -4.898 3.591 382 HB2 LEU 44 2HB LEU 44 -8.230 -3.838 1.970 383 HB3 LEU 44 1HB LEU 44 -8.155 -5.423 2.725 384 HG LEU 44 HG LEU 44 -8.207 -2.758 4.200 385 HD11 LEU 44 1HD1 LEU 44 -10.453 -3.420 4.945 386 HD12 LEU 44 2HD1 LEU 44 -10.366 -4.878 3.953 387 HD13 LEU 44 3HD1 LEU 44 -10.370 -3.287 3.189 388 HD21 LEU 44 3HD2 LEU 44 -6.889 -4.386 5.456 389 HD22 LEU 44 1HD2 LEU 44 -8.190 -5.576 5.340 390 HD23 LEU 44 2HD2 LEU 44 -8.424 -4.089 6.265 391 H TRP 45 H TRP 45 -4.352 -5.981 2.408 392 HA TRP 45 HA TRP 45 -4.736 -6.263 -0.523 393 HB2 TRP 45 2HB TRP 45 -2.503 -5.436 0.075 394 HB3 TRP 45 1HB TRP 45 -2.268 -6.770 1.198 395 HD1 TRP 45 HD1 TRP 45 -2.895 -6.382 -2.661 396 HE1 TRP 45 HE1 TRP 45 -1.478 -8.159 -3.862 397 HE3 TRP 45 HE3 TRP 45 -0.918 -8.735 1.414 398 HZ2 TRP 45 HZ2 TRP 45 0.273 -10.259 -3.157 399 HZ3 TRP 45 HZ3 TRP 45 0.640 -10.613 1.063 400 HH2 TRP 45 HH2 TRP 45 1.212 -11.371 -1.194 401 H LYS 46 H LYS 46 -5.304 -8.177 -1.275 402 HA LYS 46 HA LYS 46 -5.656 -10.507 0.464 403 HB2 LYS 46 2HB LYS 46 -7.554 -9.837 -0.966 404 HB3 LYS 46 1HB LYS 46 -6.540 -9.924 -2.400 405 HG2 LYS 46 2HG LYS 46 -6.252 -12.412 -1.910 406 HG3 LYS 46 1HG LYS 46 -7.498 -12.227 -0.672 407 HD2 LYS 46 2HD LYS 46 -8.502 -13.082 -2.739 408 HD3 LYS 46 1HD LYS 46 -9.100 -11.452 -2.426 409 HE2 LYS 46 2HE LYS 46 -7.550 -10.540 -4.105 410 HE3 LYS 46 1HE LYS 46 -6.852 -12.139 -4.359 411 HZ1 LYS 46 3HZ LYS 46 -8.973 -12.900 -5.206 412 HZ2 LYS 46 1HZ LYS 46 -8.433 -11.563 -6.090 413 HZ3 LYS 46 2HZ LYS 46 -9.664 -11.385 -4.948 414 H SER 47 H SER 47 -3.817 -11.667 0.640 415 HA SER 47 HA SER 47 -1.747 -11.904 -1.282 416 HB2 SER 47 2HB SER 47 -0.935 -13.764 0.206 417 HB3 SER 47 1HB SER 47 -1.314 -12.297 1.101 418 HG SER 47 HG SER 47 -3.178 -13.223 1.823 419 HA PRO 48 HA PRO 48 -3.246 -15.356 -3.938 420 HB2 PRO 48 2HB PRO 48 -0.795 -16.627 -4.372 421 HB3 PRO 48 1HB PRO 48 -1.340 -15.188 -5.258 422 HG2 PRO 48 2HG PRO 48 0.486 -15.329 -2.883 423 HG3 PRO 48 1HG PRO 48 0.661 -14.384 -4.380 424 HD2 PRO 48 2HD PRO 48 -0.218 -13.210 -2.142 425 HD3 PRO 48 1HD PRO 48 -0.930 -12.782 -3.716 426 H SER 49 H SER 49 -1.472 -15.690 -0.987 427 HA SER 49 HA SER 49 -1.688 -18.404 -0.360 428 HB2 SER 49 2HB SER 49 -1.869 -16.044 1.565 429 HB3 SER 49 1HB SER 49 -1.282 -17.670 1.929 430 HG SER 49 HG SER 49 0.503 -16.420 1.599 431 H GLY 50 H GLY 50 -4.139 -15.959 -0.565 432 HA2 GLY 50 2HA GLY 50 -6.451 -16.228 -0.474 433 HA3 GLY 50 1HA GLY 50 -6.254 -17.773 0.340 434 H LYS 51 H LYS 51 -4.452 -15.100 1.547 435 HA LYS 51 HA LYS 51 -6.275 -14.772 3.863 436 HB2 LYS 51 2HB LYS 51 -3.296 -14.129 3.611 437 HB3 LYS 51 1HB LYS 51 -4.266 -13.904 5.061 438 HG2 LYS 51 2HG LYS 51 -3.677 -16.568 3.753 439 HG3 LYS 51 1HG LYS 51 -2.824 -15.905 5.150 440 HD2 LYS 51 2HD LYS 51 -4.960 -15.934 6.439 441 HD3 LYS 51 1HD LYS 51 -5.778 -16.645 5.042 442 HE2 LYS 51 2HE LYS 51 -4.260 -18.612 5.193 443 HE3 LYS 51 1HE LYS 51 -3.506 -17.899 6.621 444 HZ1 LYS 51 3HZ LYS 51 -6.370 -18.646 6.395 445 HZ2 LYS 51 1HZ LYS 51 -5.615 -18.023 7.769 446 HZ3 LYS 51 2HZ LYS 51 -5.186 -19.551 7.188 447 H ILE 52 H ILE 52 -6.876 -12.701 4.444 448 HA ILE 52 HA ILE 52 -6.256 -10.468 2.603 449 HB ILE 52 HB ILE 52 -8.484 -10.693 4.686 450 HG12 ILE 52 2HG1 ILE 52 -8.602 -10.799 1.632 451 HG13 ILE 52 1HG1 ILE 52 -8.827 -12.167 2.712 452 HG21 ILE 52 1HG2 ILE 52 -7.956 -8.444 2.696 453 HG22 ILE 52 2HG2 ILE 52 -7.753 -8.342 4.448 454 HG23 ILE 52 3HG2 ILE 52 -9.362 -8.564 3.756 455 HD11 ILE 52 3HD1 ILE 52 -10.872 -11.135 3.576 456 HD12 ILE 52 1HD1 ILE 52 -10.931 -11.405 1.837 457 HD13 ILE 52 2HD1 ILE 52 -10.656 -9.780 2.464 458 H LEU 53 H LEU 53 -4.265 -9.915 3.313 459 HA LEU 53 HA LEU 53 -3.558 -9.546 6.081 460 HB2 LEU 53 2HB LEU 53 -2.017 -8.585 3.634 461 HB3 LEU 53 1HB LEU 53 -1.392 -8.834 5.257 462 HG LEU 53 HG LEU 53 -2.175 -10.951 3.222 463 HD11 LEU 53 1HD1 LEU 53 0.465 -10.401 4.613 464 HD12 LEU 53 2HD1 LEU 53 0.055 -9.967 2.952 465 HD13 LEU 53 3HD1 LEU 53 0.152 -11.662 3.417 466 HD21 LEU 53 3HD2 LEU 53 -1.473 -11.419 6.138 467 HD22 LEU 53 1HD2 LEU 53 -1.596 -12.671 4.901 468 HD23 LEU 53 2HD2 LEU 53 -3.022 -11.745 5.358 469 H LYS 54 H LYS 54 -3.763 -7.730 7.203 470 HA LYS 54 HA LYS 54 -4.545 -5.218 5.852 471 HB2 LYS 54 2HB LYS 54 -5.436 -4.570 8.132 472 HB3 LYS 54 1HB LYS 54 -6.271 -5.905 7.346 473 HG2 LYS 54 2HG LYS 54 -4.948 -7.501 8.769 474 HG3 LYS 54 1HG LYS 54 -4.284 -6.113 9.635 475 HD2 LYS 54 2HD LYS 54 -7.227 -6.872 9.453 476 HD3 LYS 54 1HD LYS 54 -6.179 -7.129 10.851 477 HE2 LYS 54 2HE LYS 54 -6.925 -4.416 9.700 478 HE3 LYS 54 1HE LYS 54 -7.646 -5.156 11.126 479 HZ1 LYS 54 3HZ LYS 54 -4.771 -4.477 10.869 480 HZ2 LYS 54 1HZ LYS 54 -5.552 -5.069 12.245 481 HZ3 LYS 54 2HZ LYS 54 -5.925 -3.527 11.662 482 H GLY 55 H GLY 55 -3.549 -3.309 6.442 483 HA2 GLY 55 2HA GLY 55 -1.126 -3.272 8.070 484 HA3 GLY 55 1HA GLY 55 -0.895 -3.105 6.328 485 H LYS 56 H LYS 56 0.035 -0.991 7.214 486 HA LYS 56 HA LYS 56 -1.976 1.101 6.969 487 HB2 LYS 56 2HB LYS 56 -2.023 0.546 9.373 488 HB3 LYS 56 1HB LYS 56 -0.291 0.820 9.494 489 HG2 LYS 56 2HG LYS 56 -0.519 3.168 9.271 490 HG3 LYS 56 1HG LYS 56 -2.142 3.046 8.593 491 HD2 LYS 56 2HD LYS 56 -1.405 2.365 11.469 492 HD3 LYS 56 1HD LYS 56 -2.126 3.889 10.947 493 HE2 LYS 56 2HE LYS 56 -4.146 2.717 10.194 494 HE3 LYS 56 1HE LYS 56 -3.424 1.157 10.603 495 HZ1 LYS 56 3HZ LYS 56 -3.326 1.933 12.935 496 HZ2 LYS 56 1HZ LYS 56 -4.900 1.809 12.333 497 HZ3 LYS 56 2HZ LYS 56 -4.177 3.325 12.481 498 H ILE 57 H ILE 57 -1.205 2.851 5.990 499 HA ILE 57 HA ILE 57 1.461 3.003 4.961 500 HB ILE 57 HB ILE 57 -0.708 5.156 5.047 501 HG12 ILE 57 2HG1 ILE 57 -0.021 3.258 2.762 502 HG13 ILE 57 1HG1 ILE 57 -1.363 3.019 3.872 503 HG21 ILE 57 1HG2 ILE 57 0.520 6.244 3.184 504 HG22 ILE 57 2HG2 ILE 57 1.788 5.025 3.303 505 HG23 ILE 57 3HG2 ILE 57 1.519 6.148 4.637 506 HD11 ILE 57 3HD1 ILE 57 -2.366 5.115 3.084 507 HD12 ILE 57 1HD1 ILE 57 -2.144 3.923 1.805 508 HD13 ILE 57 2HD1 ILE 57 -1.042 5.294 1.925 509 H VAL 58 H VAL 58 3.134 3.474 6.253 510 HA VAL 58 HA VAL 58 2.818 5.324 8.561 511 HB VAL 58 HB VAL 58 4.787 4.182 9.566 512 HG11 VAL 58 1HG1 VAL 58 2.550 2.264 8.793 513 HG12 VAL 58 2HG1 VAL 58 2.539 3.384 10.157 514 HG13 VAL 58 3HG1 VAL 58 3.678 2.037 10.135 515 HG21 VAL 58 3HG2 VAL 58 5.947 3.470 7.510 516 HG22 VAL 58 1HG2 VAL 58 4.653 2.322 7.150 517 HG23 VAL 58 2HG2 VAL 58 5.680 2.081 8.566 518 H ARG 59 H ARG 59 4.068 5.200 5.452 519 HA ARG 59 HA ARG 59 5.762 7.515 5.818 520 HB2 ARG 59 2HB ARG 59 7.223 5.524 6.473 521 HB3 ARG 59 1HB ARG 59 7.050 4.924 4.833 522 HG2 ARG 59 2HG ARG 59 9.201 6.040 5.131 523 HG3 ARG 59 1HG ARG 59 8.205 6.928 3.971 524 HD2 ARG 59 2HD ARG 59 9.399 8.417 5.566 525 HD3 ARG 59 1HD ARG 59 7.644 8.594 5.660 526 HE ARG 59 HE ARG 59 8.794 6.725 7.564 527 HH11 ARG 59 1HH1 ARG 59 7.892 10.098 7.064 528 HH12 ARG 59 2HH1 ARG 59 7.783 10.433 8.763 529 HH21 ARG 59 1HH2 ARG 59 8.626 7.194 9.787 530 HH22 ARG 59 2HH2 ARG 59 8.196 8.796 10.298 531 H VAL 60 H VAL 60 6.202 8.565 3.824 532 HA VAL 60 HA VAL 60 4.747 7.575 1.439 533 HB VAL 60 HB VAL 60 4.958 9.840 0.522 534 HG11 VAL 60 1HG1 VAL 60 3.081 9.401 2.042 535 HG12 VAL 60 2HG1 VAL 60 3.596 11.082 2.151 536 HG13 VAL 60 3HG1 VAL 60 4.045 9.937 3.420 537 HG21 VAL 60 3HG2 VAL 60 7.188 10.464 1.379 538 HG22 VAL 60 1HG2 VAL 60 6.551 10.570 3.021 539 HG23 VAL 60 2HG2 VAL 60 6.004 11.707 1.781 540 H HIS 61 H HIS 61 5.848 7.760 -0.666 541 HA HIS 61 HA HIS 61 8.786 7.707 -0.645 542 HB2 HIS 61 2HB HIS 61 8.060 5.341 -0.250 543 HB3 HIS 61 1HB HIS 61 7.093 5.389 -1.724 544 HD1 HIS 61 HD1 HIS 61 8.420 5.416 -3.995 545 HD2 HIS 61 HD2 HIS 61 10.804 4.927 -0.628 546 HE1 HIS 61 HE1 HIS 61 10.673 4.728 -4.852 547 HE2 HIS 61 HE2 HIS 61 12.041 4.292 -2.799 548 H GLY 62 H GLY 62 9.068 9.403 -2.022 549 HA2 GLY 62 2HA GLY 62 9.394 10.337 -4.108 550 HA3 GLY 62 1HA GLY 62 8.418 9.068 -4.833 551 H THR 63 H THR 63 8.155 11.520 -5.807 552 HA THR 63 HA THR 63 5.977 13.032 -4.608 553 HB THR 63 HB THR 63 6.284 14.471 -6.734 554 HG1 THR 63 HG1 THR 63 7.293 12.932 -8.066 555 HG21 THR 63 3HG2 THR 63 8.359 15.522 -5.950 556 HG22 THR 63 1HG2 THR 63 8.741 14.096 -4.980 557 HG23 THR 63 2HG2 THR 63 7.340 15.092 -4.575 558 H LYS 64 H LYS 64 6.138 10.327 -6.635 559 HA LYS 64 HA LYS 64 3.826 10.902 -8.294 560 HB2 LYS 64 2HB LYS 64 5.692 8.531 -8.003 561 HB3 LYS 64 1HB LYS 64 4.177 8.341 -8.876 562 HG2 LYS 64 2HG LYS 64 6.351 10.348 -9.577 563 HG3 LYS 64 1HG LYS 64 6.075 8.801 -10.387 564 HD2 LYS 64 2HD LYS 64 3.771 9.581 -10.999 565 HD3 LYS 64 1HD LYS 64 4.142 11.149 -10.281 566 HE2 LYS 64 2HE LYS 64 5.594 9.907 -12.641 567 HE3 LYS 64 1HE LYS 64 4.354 11.157 -12.739 568 HZ1 LYS 64 3HZ LYS 64 6.577 12.080 -12.881 569 HZ2 LYS 64 1HZ LYS 64 6.969 11.438 -11.371 570 HZ3 LYS 64 2HZ LYS 64 5.787 12.636 -11.496 571 H GLY 65 H GLY 65 3.951 10.268 -5.101 572 HA2 GLY 65 2HA GLY 65 2.095 10.056 -3.736 573 HA3 GLY 65 1HA GLY 65 1.143 9.501 -5.097 574 H ALA 66 H ALA 66 4.071 7.789 -4.865 575 HA ALA 66 HA ALA 66 2.808 5.333 -4.194 576 HB1 ALA 66 3HB ALA 66 4.812 5.409 -5.633 577 HB2 ALA 66 1HB ALA 66 5.072 4.362 -4.240 578 HB3 ALA 66 2HB ALA 66 5.781 5.977 -4.274 579 H VAL 67 H VAL 67 2.663 4.277 -2.267 580 HA VAL 67 HA VAL 67 3.516 5.726 0.171 581 HB VAL 67 HB VAL 67 1.579 4.676 1.322 582 HG11 VAL 67 1HG1 VAL 67 1.299 6.921 0.358 583 HG12 VAL 67 2HG1 VAL 67 -0.215 6.018 0.284 584 HG13 VAL 67 3HG1 VAL 67 0.763 6.218 -1.173 585 HG21 VAL 67 3HG2 VAL 67 -0.197 3.503 0.049 586 HG22 VAL 67 1HG2 VAL 67 1.334 2.625 -0.027 587 HG23 VAL 67 2HG2 VAL 67 0.795 3.577 -1.410 588 H ARG 68 H ARG 68 4.337 4.593 1.878 589 HA ARG 68 HA ARG 68 5.208 1.805 1.512 590 HB2 ARG 68 2HB ARG 68 7.064 3.289 2.033 591 HB3 ARG 68 1HB ARG 68 6.186 4.020 3.374 592 HG2 ARG 68 2HG ARG 68 6.304 1.916 4.634 593 HG3 ARG 68 1HG ARG 68 7.094 1.131 3.275 594 HD2 ARG 68 2HD ARG 68 9.065 2.572 3.557 595 HD3 ARG 68 1HD ARG 68 8.266 3.420 4.886 596 HE ARG 68 HE ARG 68 8.205 0.848 5.720 597 HH11 ARG 68 1HH1 ARG 68 10.872 2.817 4.543 598 HH12 ARG 68 2HH1 ARG 68 12.061 1.987 5.495 599 HH21 ARG 68 1HH2 ARG 68 9.795 -0.217 6.996 600 HH22 ARG 68 2HH2 ARG 68 11.453 0.283 6.870 601 H ALA 69 H ALA 69 3.608 0.508 2.197 602 HA ALA 69 HA ALA 69 2.172 1.097 4.721 603 HB1 ALA 69 3HB ALA 69 0.728 0.902 2.742 604 HB2 ALA 69 1HB ALA 69 0.419 -0.414 3.877 605 HB3 ALA 69 2HB ALA 69 1.364 -0.711 2.413 606 H ARG 70 H ARG 70 2.880 -0.049 6.447 607 HA ARG 70 HA ARG 70 4.306 -2.594 6.117 608 HB2 ARG 70 2HB ARG 70 3.644 -0.942 8.592 609 HB3 ARG 70 1HB ARG 70 4.435 -2.514 8.655 610 HG2 ARG 70 2HG ARG 70 6.265 -1.539 7.219 611 HG3 ARG 70 1HG ARG 70 5.530 0.044 7.469 612 HD2 ARG 70 2HD ARG 70 6.508 -1.800 9.690 613 HD3 ARG 70 1HD ARG 70 7.415 -0.435 9.046 614 HE ARG 70 HE ARG 70 5.929 1.059 10.085 615 HH11 ARG 70 1HH1 ARG 70 4.998 -2.256 10.880 616 HH12 ARG 70 2HH1 ARG 70 4.022 -1.764 12.224 617 HH21 ARG 70 1HH2 ARG 70 4.660 1.650 11.847 618 HH22 ARG 70 2HH2 ARG 70 3.830 0.438 12.770 619 H PHE 71 H PHE 71 3.169 -4.437 6.014 620 HA PHE 71 HA PHE 71 0.431 -4.611 7.039 621 HB2 PHE 71 2HB PHE 71 2.112 -6.380 5.228 622 HB3 PHE 71 1HB PHE 71 0.563 -6.924 5.874 623 HD1 PHE 71 HD1 PHE 71 2.125 -4.169 3.817 624 HD2 PHE 71 HD2 PHE 71 -1.464 -6.280 4.835 625 HE1 PHE 71 HE1 PHE 71 0.903 -2.973 2.051 626 HE2 PHE 71 HE2 PHE 71 -2.658 -5.086 3.057 627 HZ PHE 71 HZ PHE 71 -1.480 -3.433 1.669 628 H GLU 72 H GLU 72 -0.057 -5.490 8.943 629 HA GLU 72 HA GLU 72 1.865 -6.008 10.895 630 HB2 GLU 72 2HB GLU 72 -0.007 -6.704 12.350 631 HB3 GLU 72 1HB GLU 72 -0.389 -5.239 11.458 632 HG2 GLU 72 2HG GLU 72 -1.867 -6.409 9.966 633 HG3 GLU 72 1HG GLU 72 -1.330 -7.979 10.564 634 H LYS 73 H LYS 73 -0.014 -8.254 8.942 635 HA LYS 73 HA LYS 73 1.053 -10.655 10.109 636 HB2 LYS 73 2HB LYS 73 -0.511 -10.147 7.546 637 HB3 LYS 73 1HB LYS 73 -0.060 -11.753 8.107 638 HG2 LYS 73 2HG LYS 73 -1.913 -9.799 9.514 639 HG3 LYS 73 1HG LYS 73 -2.379 -11.286 8.687 640 HD2 LYS 73 2HD LYS 73 -0.676 -11.101 11.207 641 HD3 LYS 73 1HD LYS 73 -2.365 -11.602 11.129 642 HE2 LYS 73 2HE LYS 73 -1.807 -13.623 9.954 643 HE3 LYS 73 1HE LYS 73 -0.152 -13.082 9.666 644 HZ1 LYS 73 3HZ LYS 73 -0.273 -14.704 11.447 645 HZ2 LYS 73 1HZ LYS 73 -1.317 -13.711 12.322 646 HZ3 LYS 73 2HZ LYS 73 0.269 -13.211 12.033 647 H GLY 74 H GLY 74 1.401 -9.012 6.985 648 HA2 GLY 74 2HA GLY 74 3.074 -8.862 5.462 649 HA3 GLY 74 1HA GLY 74 4.172 -9.147 6.804 650 H LEU 75 H LEU 75 1.720 -11.381 5.640 651 HA LEU 75 HA LEU 75 3.521 -13.567 5.497 652 HB2 LEU 75 2HB LEU 75 0.629 -13.285 4.581 653 HB3 LEU 75 1HB LEU 75 1.509 -14.808 4.583 654 HG LEU 75 HG LEU 75 0.869 -13.146 7.060 655 HD11 LEU 75 1HD1 LEU 75 -0.675 -14.944 7.676 656 HD12 LEU 75 2HD1 LEU 75 -0.345 -15.776 6.155 657 HD13 LEU 75 3HD1 LEU 75 -1.143 -14.203 6.145 658 HD21 LEU 75 3HD2 LEU 75 2.993 -14.329 7.319 659 HD22 LEU 75 1HD2 LEU 75 2.244 -15.848 6.821 660 HD23 LEU 75 2HD2 LEU 75 1.756 -15.072 8.334 661 HA PRO 76 HA PRO 76 5.159 -12.898 1.450 662 HB2 PRO 76 2HB PRO 76 5.724 -15.811 1.215 663 HB3 PRO 76 1HB PRO 76 6.862 -14.459 1.390 664 HG2 PRO 76 2HG PRO 76 6.447 -16.212 3.398 665 HG3 PRO 76 1HG PRO 76 6.788 -14.495 3.704 666 HD2 PRO 76 2HD PRO 76 4.133 -15.921 3.727 667 HD3 PRO 76 1HD PRO 76 4.795 -14.743 4.888 668 H GLY 77 H GLY 77 4.561 -12.939 -0.663 669 HA2 GLY 77 2HA GLY 77 3.195 -14.942 -2.064 670 HA3 GLY 77 1HA GLY 77 1.993 -13.798 -1.463 671 H GLN 78 H GLN 78 4.306 -14.412 -3.886 672 HA GLN 78 HA GLN 78 4.913 -11.727 -4.681 673 HB2 GLN 78 2HB GLN 78 6.470 -13.582 -5.152 674 HB3 GLN 78 1HB GLN 78 5.261 -14.371 -6.161 675 HG2 GLN 78 2HG GLN 78 5.368 -12.458 -7.752 676 HG3 GLN 78 1HG GLN 78 6.606 -11.708 -6.743 677 HE21 GLN 78 1HE2 GLN 78 5.904 -14.326 -8.963 678 HE22 GLN 78 2HE2 GLN 78 7.547 -14.766 -9.273 679 H ALA 79 H ALA 79 2.947 -10.730 -4.933 680 HA ALA 79 HA ALA 79 1.348 -11.410 -7.339 681 HB1 ALA 79 3HB ALA 79 0.446 -9.852 -4.889 682 HB2 ALA 79 1HB ALA 79 0.066 -11.548 -5.207 683 HB3 ALA 79 2HB ALA 79 -0.547 -10.288 -6.278 684 H LEU 80 H LEU 80 3.880 -9.971 -7.278 685 HA LEU 80 HA LEU 80 3.922 -7.236 -7.331 686 HB2 LEU 80 2HB LEU 80 5.247 -9.145 -9.296 687 HB3 LEU 80 1HB LEU 80 5.680 -7.449 -9.145 688 HG LEU 80 HG LEU 80 6.016 -9.561 -6.969 689 HD11 LEU 80 1HD1 LEU 80 8.430 -9.260 -7.317 690 HD12 LEU 80 2HD1 LEU 80 8.113 -8.162 -8.663 691 HD13 LEU 80 3HD1 LEU 80 7.643 -9.862 -8.777 692 HD21 LEU 80 3HD2 LEU 80 6.772 -6.622 -6.966 693 HD22 LEU 80 1HD2 LEU 80 7.208 -7.797 -5.720 694 HD23 LEU 80 2HD2 LEU 80 5.516 -7.386 -5.987 695 H GLY 81 H GLY 81 2.319 -5.978 -8.112 696 HA2 GLY 81 2HA GLY 81 1.630 -4.699 -10.074 697 HA3 GLY 81 1HA GLY 81 1.474 -6.208 -10.949 698 H ASP 82 H ASP 82 0.321 -6.559 -7.794 699 HA ASP 82 HA ASP 82 -2.439 -6.744 -8.768 700 HB2 ASP 82 2HB ASP 82 -1.281 -8.640 -7.558 701 HB3 ASP 82 1HB ASP 82 -1.232 -7.650 -6.104 702 H TYR 83 H TYR 83 -4.187 -6.122 -7.012 703 HA TYR 83 HA TYR 83 -3.723 -3.275 -6.420 704 HB2 TYR 83 2HB TYR 83 -6.229 -4.895 -7.009 705 HB3 TYR 83 1HB TYR 83 -6.298 -3.236 -6.428 706 HD1 TYR 83 HD1 TYR 83 -4.796 -5.292 -9.195 707 HD2 TYR 83 HD2 TYR 83 -6.274 -1.454 -8.005 708 HE1 TYR 83 HE1 TYR 83 -4.558 -4.486 -11.502 709 HE2 TYR 83 HE2 TYR 83 -6.034 -0.658 -10.314 710 HH TYR 83 HH TYR 83 -5.498 -2.746 -12.949 711 H VAL 84 H VAL 84 -4.555 -2.307 -4.560 712 HA VAL 84 HA VAL 84 -5.303 -3.993 -2.239 713 HB VAL 84 HB VAL 84 -3.991 -2.632 -0.708 714 HG11 VAL 84 1HG1 VAL 84 -1.677 -3.166 -1.333 715 HG12 VAL 84 2HG1 VAL 84 -2.184 -3.461 -2.998 716 HG13 VAL 84 3HG1 VAL 84 -2.769 -4.503 -1.702 717 HG21 VAL 84 3HG2 VAL 84 -2.469 -0.806 -1.429 718 HG22 VAL 84 1HG2 VAL 84 -4.158 -0.436 -1.783 719 HG23 VAL 84 2HG2 VAL 84 -3.082 -0.954 -3.078 720 H GLU 85 H GLU 85 -6.602 -2.838 -0.662 721 HA GLU 85 HA GLU 85 -8.059 -0.465 -1.701 722 HB2 GLU 85 2HB GLU 85 -8.966 -2.511 0.379 723 HB3 GLU 85 1HB GLU 85 -9.937 -1.192 -0.278 724 HG2 GLU 85 2HG GLU 85 -9.918 -2.254 -2.494 725 HG3 GLU 85 1HG GLU 85 -8.879 -3.545 -1.886 726 H ILE 86 H ILE 86 -7.147 1.297 -0.764 727 HA ILE 86 HA ILE 86 -6.090 1.252 1.955 728 HB ILE 86 HB ILE 86 -6.113 3.527 -0.090 729 HG12 ILE 86 2HG1 ILE 86 -3.826 1.659 0.702 730 HG13 ILE 86 1HG1 ILE 86 -4.733 1.557 -0.801 731 HG21 ILE 86 1HG2 ILE 86 -4.461 4.644 1.378 732 HG22 ILE 86 2HG2 ILE 86 -4.612 3.337 2.551 733 HG23 ILE 86 3HG2 ILE 86 -5.991 4.389 2.227 734 HD11 ILE 86 3HD1 ILE 86 -3.886 3.768 -1.444 735 HD12 ILE 86 1HD1 ILE 86 -2.599 2.595 -1.166 736 HD13 ILE 86 2HD1 ILE 86 -2.941 3.828 0.047 737 H VAL 87 H VAL 87 -7.878 1.065 3.206 738 HA VAL 87 HA VAL 87 -10.264 2.633 2.978 739 HB VAL 87 HB VAL 87 -9.212 1.035 5.365 740 HG11 VAL 87 1HG1 VAL 87 -11.560 0.879 6.083 741 HG12 VAL 87 2HG1 VAL 87 -12.057 1.886 4.722 742 HG13 VAL 87 3HG1 VAL 87 -11.035 2.564 5.993 743 HG21 VAL 87 3HG2 VAL 87 -10.567 -0.860 4.545 744 HG22 VAL 87 1HG2 VAL 87 -9.328 -0.405 3.372 745 HG23 VAL 87 2HG2 VAL 87 -11.008 0.066 3.110 746 H LEU 88 H LEU 88 -10.667 4.625 3.876 747 HA LEU 88 HA LEU 88 -8.673 6.268 4.984 748 HB2 LEU 88 2HB LEU 88 -10.903 6.904 3.809 749 HB3 LEU 88 1HB LEU 88 -11.669 6.680 5.365 750 HG LEU 88 HG LEU 88 -11.210 9.082 4.812 751 HD11 LEU 88 1HD1 LEU 88 -10.277 9.802 6.940 752 HD12 LEU 88 2HD1 LEU 88 -9.644 8.183 7.247 753 HD13 LEU 88 3HD1 LEU 88 -11.387 8.453 7.183 754 HD21 LEU 88 3HD2 LEU 88 -8.919 9.965 4.823 755 HD22 LEU 88 1HD2 LEU 88 -9.143 8.792 3.525 756 HD23 LEU 88 2HD2 LEU 88 -8.273 8.332 4.991 757 H GLU 89 H GLU 89 -7.944 6.477 7.058 758 HA GLU 89 HA GLU 89 -9.431 5.550 9.360 759 HB2 GLU 89 2HB GLU 89 -8.098 3.568 8.073 760 HB3 GLU 89 1HB GLU 89 -6.749 4.183 9.010 761 HG2 GLU 89 2HG GLU 89 -9.381 3.191 10.152 762 HG3 GLU 89 1HG GLU 89 -7.905 2.239 10.054 763 H HIS 90 H HIS 90 -8.565 6.415 11.297 764 HA HIS 90 HA HIS 90 -6.121 7.983 11.277 765 HB2 HIS 90 2HB HIS 90 -7.149 10.146 11.751 766 HB3 HIS 90 1HB HIS 90 -7.799 9.546 10.233 767 HD1 HIS 90 HD1 HIS 90 -10.237 8.090 10.785 768 HD2 HIS 90 HD2 HIS 90 -9.120 11.227 13.271 769 HE1 HIS 90 HE1 HIS 90 -12.334 8.812 11.956 770 HE2 HIS 90 HE2 HIS 90 -11.590 10.576 13.575 771 H HIS 91 H HIS 91 -5.284 8.182 13.345 772 HA HIS 91 HA HIS 91 -6.758 6.826 15.510 773 HB2 HIS 91 2HB HIS 91 -4.459 5.987 14.873 774 HB3 HIS 91 1HB HIS 91 -3.786 7.512 15.446 775 HD1 HIS 91 HD1 HIS 91 -5.367 4.330 16.635 776 HD2 HIS 91 HD2 HIS 91 -3.689 7.752 18.296 777 HE1 HIS 91 HE1 HIS 91 -5.110 3.841 19.077 778 HE2 HIS 91 HE2 HIS 91 -4.108 5.922 20.066 Start of MODEL 6 1 H1 MET 1 1H MET 1 -15.858 4.758 2.333 2 H2 MET 1 2H MET 1 -14.477 4.284 3.180 3 H3 MET 1 3H MET 1 -15.138 3.266 2.004 4 HA MET 1 HA MET 1 -14.635 4.841 0.289 5 HB2 MET 1 2HB MET 1 -13.309 6.438 2.524 6 HB3 MET 1 1HB MET 1 -13.204 6.824 0.809 7 HG2 MET 1 2HG MET 1 -15.699 6.883 2.521 8 HG3 MET 1 1HG MET 1 -14.821 8.278 1.884 9 HE1 MET 1 3HE MET 1 -18.018 7.731 1.537 10 HE2 MET 1 1HE MET 1 -18.240 8.222 -0.143 11 HE3 MET 1 2HE MET 1 -17.219 9.182 0.925 12 H ARG 2 H ARG 2 -13.577 2.982 -0.357 13 HA ARG 2 HA ARG 2 -10.836 2.493 0.617 14 HB2 ARG 2 2HB ARG 2 -10.957 0.350 -0.663 15 HB3 ARG 2 1HB ARG 2 -12.208 0.485 0.565 16 HG2 ARG 2 2HG ARG 2 -13.870 1.044 -1.158 17 HG3 ARG 2 1HG ARG 2 -12.624 0.954 -2.404 18 HD2 ARG 2 2HD ARG 2 -12.299 -1.454 -1.893 19 HD3 ARG 2 1HD ARG 2 -13.567 -1.357 -0.661 20 HE ARG 2 HE ARG 2 -14.858 -0.459 -2.848 21 HH11 ARG 2 1HH1 ARG 2 -12.922 -3.364 -2.388 22 HH12 ARG 2 2HH1 ARG 2 -13.806 -4.269 -3.578 23 HH21 ARG 2 1HH2 ARG 2 -15.982 -1.661 -4.418 24 HH22 ARG 2 2HH2 ARG 2 -15.522 -3.315 -4.718 25 H ILE 3 H ILE 3 -9.099 2.864 -0.621 26 HA ILE 3 HA ILE 3 -9.425 4.057 -3.321 27 HB ILE 3 HB ILE 3 -7.233 4.486 -1.220 28 HG12 ILE 3 2HG1 ILE 3 -9.400 6.390 -2.224 29 HG13 ILE 3 1HG1 ILE 3 -9.350 5.634 -0.640 30 HG21 ILE 3 1HG2 ILE 3 -6.270 6.186 -2.734 31 HG22 ILE 3 2HG2 ILE 3 -7.471 5.786 -3.961 32 HG23 ILE 3 3HG2 ILE 3 -6.266 4.587 -3.489 33 HD11 ILE 3 3HD1 ILE 3 -7.300 6.897 -0.128 34 HD12 ILE 3 1HD1 ILE 3 -8.683 7.931 -0.486 35 HD13 ILE 3 2HD1 ILE 3 -7.423 7.699 -1.697 36 H LYS 4 H LYS 4 -8.521 2.840 -4.989 37 HA LYS 4 HA LYS 4 -7.238 0.325 -4.214 38 HB2 LYS 4 2HB LYS 4 -7.584 -0.391 -6.558 39 HB3 LYS 4 1HB LYS 4 -9.075 0.123 -5.780 40 HG2 LYS 4 2HG LYS 4 -9.048 2.235 -7.010 41 HG3 LYS 4 1HG LYS 4 -7.471 1.839 -7.706 42 HD2 LYS 4 2HD LYS 4 -9.303 1.433 -9.314 43 HD3 LYS 4 1HD LYS 4 -8.442 -0.056 -8.920 44 HE2 LYS 4 2HE LYS 4 -10.869 -0.436 -9.004 45 HE3 LYS 4 1HE LYS 4 -10.262 -0.695 -7.368 46 HZ1 LYS 4 3HZ LYS 4 -12.305 0.559 -7.332 47 HZ2 LYS 4 1HZ LYS 4 -11.650 1.740 -8.350 48 HZ3 LYS 4 2HZ LYS 4 -11.039 1.530 -6.790 49 H GLY 5 H GLY 5 -5.163 -0.122 -4.403 50 HA2 GLY 5 2HA GLY 5 -3.360 1.712 -5.922 51 HA3 GLY 5 1HA GLY 5 -2.970 1.077 -4.325 52 H VAL 6 H VAL 6 -1.340 0.737 -6.582 53 HA VAL 6 HA VAL 6 -1.652 -2.074 -7.375 54 HB VAL 6 HB VAL 6 0.187 0.107 -8.480 55 HG11 VAL 6 1HG1 VAL 6 0.693 -1.493 -10.308 56 HG12 VAL 6 2HG1 VAL 6 -0.259 -2.731 -9.486 57 HG13 VAL 6 3HG1 VAL 6 1.218 -2.120 -8.741 58 HG21 VAL 6 3HG2 VAL 6 -2.361 -1.116 -9.616 59 HG22 VAL 6 1HG2 VAL 6 -1.318 0.030 -10.466 60 HG23 VAL 6 2HG2 VAL 6 -2.177 0.530 -9.006 61 H VAL 7 H VAL 7 -0.402 -3.586 -6.509 62 HA VAL 7 HA VAL 7 1.449 -3.148 -4.405 63 HB VAL 7 HB VAL 7 1.057 -5.651 -6.121 64 HG11 VAL 7 1HG1 VAL 7 3.146 -5.747 -4.829 65 HG12 VAL 7 2HG1 VAL 7 1.975 -6.919 -4.223 66 HG13 VAL 7 3HG1 VAL 7 2.254 -5.416 -3.340 67 HG21 VAL 7 3HG2 VAL 7 -0.502 -6.474 -4.418 68 HG22 VAL 7 1HG2 VAL 7 -1.078 -4.959 -5.117 69 HG23 VAL 7 2HG2 VAL 7 -0.338 -4.965 -3.518 70 H LEU 8 H LEU 8 3.262 -1.904 -5.003 71 HA LEU 8 HA LEU 8 4.697 -2.346 -7.463 72 HB2 LEU 8 2HB LEU 8 5.573 -0.804 -4.992 73 HB3 LEU 8 1HB LEU 8 6.363 -0.755 -6.561 74 HG LEU 8 HG LEU 8 3.604 0.335 -5.873 75 HD11 LEU 8 1HD1 LEU 8 6.148 1.746 -6.735 76 HD12 LEU 8 2HD1 LEU 8 5.447 1.740 -5.115 77 HD13 LEU 8 3HD1 LEU 8 4.584 2.509 -6.438 78 HD21 LEU 8 3HD2 LEU 8 3.465 1.138 -8.205 79 HD22 LEU 8 1HD2 LEU 8 3.492 -0.625 -8.120 80 HD23 LEU 8 2HD2 LEU 8 4.943 0.256 -8.602 81 H SER 9 H SER 9 5.574 -2.848 -4.018 82 HA SER 9 HA SER 9 6.846 -5.368 -4.496 83 HB2 SER 9 2HB SER 9 8.580 -3.840 -5.462 84 HB3 SER 9 1HB SER 9 8.698 -3.004 -3.912 85 HG SER 9 HG SER 9 10.263 -4.452 -3.755 86 H TYR 10 H TYR 10 7.765 -6.294 -2.572 87 HA TYR 10 HA TYR 10 7.036 -5.037 0.011 88 HB2 TYR 10 2HB TYR 10 7.162 -7.965 -0.840 89 HB3 TYR 10 1HB TYR 10 7.194 -7.497 0.850 90 HD1 TYR 10 HD1 TYR 10 5.052 -7.543 -2.207 91 HD2 TYR 10 HD2 TYR 10 5.163 -6.865 2.014 92 HE1 TYR 10 HE1 TYR 10 2.594 -7.604 -2.122 93 HE2 TYR 10 HE2 TYR 10 2.708 -6.924 2.091 94 HH TYR 10 HH TYR 10 0.818 -6.507 0.497 95 H ARG 11 H ARG 11 8.648 -4.966 1.598 96 HA ARG 11 HA ARG 11 11.258 -6.262 1.100 97 HB2 ARG 11 2HB ARG 11 11.274 -3.761 0.457 98 HB3 ARG 11 1HB ARG 11 10.997 -3.394 2.147 99 HG2 ARG 11 2HG ARG 11 13.400 -5.005 1.238 100 HG3 ARG 11 1HG ARG 11 13.419 -3.247 1.248 101 HD2 ARG 11 2HD ARG 11 13.006 -3.260 3.691 102 HD3 ARG 11 1HD ARG 11 12.981 -5.025 3.682 103 HE ARG 11 HE ARG 11 15.405 -4.195 2.568 104 HH11 ARG 11 1HH1 ARG 11 13.811 -4.108 5.718 105 HH12 ARG 11 2HH1 ARG 11 15.307 -4.102 6.598 106 HH21 ARG 11 1HH2 ARG 11 17.334 -4.133 3.739 107 HH22 ARG 11 2HH2 ARG 11 17.302 -4.115 5.473 108 H ARG 12 H ARG 12 11.203 -7.756 2.724 109 HA ARG 12 HA ARG 12 9.864 -7.291 5.238 110 HB2 ARG 12 2HB ARG 12 10.639 -9.571 5.841 111 HB3 ARG 12 1HB ARG 12 9.892 -9.544 4.248 112 HG2 ARG 12 2HG ARG 12 12.178 -9.500 3.225 113 HG3 ARG 12 1HG ARG 12 12.862 -9.666 4.844 114 HD2 ARG 12 2HD ARG 12 12.823 -11.839 3.759 115 HD3 ARG 12 1HD ARG 12 11.661 -11.842 5.086 116 HE ARG 12 HE ARG 12 9.931 -12.036 3.579 117 HH11 ARG 12 1HH1 ARG 12 12.891 -11.434 1.757 118 HH12 ARG 12 2HH1 ARG 12 12.169 -11.823 0.230 119 HH21 ARG 12 1HH2 ARG 12 9.023 -12.579 1.572 120 HH22 ARG 12 2HH2 ARG 12 9.977 -12.475 0.130 121 H SER 13 H SER 13 10.753 -6.775 7.209 122 HA SER 13 HA SER 13 13.308 -5.426 7.181 123 HB2 SER 13 2HB SER 13 11.384 -4.470 8.399 124 HB3 SER 13 1HB SER 13 11.333 -5.877 9.458 125 HG SER 13 HG SER 13 12.468 -3.906 10.211 126 H LYS 14 H LYS 14 15.149 -5.977 8.259 127 HA LYS 14 HA LYS 14 15.722 -8.693 8.958 128 HB2 LYS 14 2HB LYS 14 17.322 -6.128 9.391 129 HB3 LYS 14 1HB LYS 14 17.951 -7.749 9.666 130 HG2 LYS 14 2HG LYS 14 16.988 -6.689 6.990 131 HG3 LYS 14 1HG LYS 14 18.677 -6.806 7.491 132 HD2 LYS 14 2HD LYS 14 18.468 -9.263 7.665 133 HD3 LYS 14 1HD LYS 14 16.765 -9.163 7.211 134 HE2 LYS 14 2HE LYS 14 17.395 -8.301 4.997 135 HE3 LYS 14 1HE LYS 14 19.102 -8.349 5.450 136 HZ1 LYS 14 3HZ LYS 14 17.325 -10.726 5.386 137 HZ2 LYS 14 1HZ LYS 14 18.992 -10.724 5.644 138 HZ3 LYS 14 2HZ LYS 14 18.371 -10.290 4.133 139 H GLU 15 H GLU 15 14.680 -5.864 10.646 140 HA GLU 15 HA GLU 15 15.248 -6.617 13.340 141 HB2 GLU 15 2HB GLU 15 13.057 -4.762 12.288 142 HB3 GLU 15 1HB GLU 15 13.718 -4.779 13.923 143 HG2 GLU 15 2HG GLU 15 15.830 -3.906 13.177 144 HG3 GLU 15 1HG GLU 15 15.402 -4.141 11.481 145 H ASN 16 H ASN 16 12.212 -6.528 11.472 146 HA ASN 16 HA ASN 16 11.150 -8.872 12.939 147 HB2 ASN 16 2HB ASN 16 9.635 -6.313 12.236 148 HB3 ASN 16 1HB ASN 16 8.863 -7.797 12.780 149 HD21 ASN 16 1HD2 ASN 16 7.952 -6.832 14.582 150 HD22 ASN 16 2HD2 ASN 16 8.877 -6.319 15.949 151 H GLN 17 H GLN 17 10.908 -10.446 11.483 152 HA GLN 17 HA GLN 17 10.984 -10.320 8.706 153 HB2 GLN 17 2HB GLN 17 11.395 -12.387 9.944 154 HB3 GLN 17 1HB GLN 17 9.748 -12.403 10.561 155 HG2 GLN 17 2HG GLN 17 8.960 -12.691 8.169 156 HG3 GLN 17 1HG GLN 17 10.651 -12.896 7.708 157 HE21 GLN 17 1HE2 GLN 17 11.732 -14.806 8.325 158 HE22 GLN 17 2HE2 GLN 17 10.885 -16.194 8.917 159 H HIS 18 H HIS 18 8.206 -10.387 10.890 160 HA HIS 18 HA HIS 18 6.202 -10.570 8.846 161 HB2 HIS 18 2HB HIS 18 5.985 -9.959 11.821 162 HB3 HIS 18 1HB HIS 18 4.611 -10.244 10.755 163 HD1 HIS 18 HD1 HIS 18 7.095 -12.007 12.811 164 HD2 HIS 18 HD2 HIS 18 4.464 -12.947 9.746 165 HE1 HIS 18 HE1 HIS 18 6.965 -14.510 12.780 166 HE2 HIS 18 HE2 HIS 18 5.155 -15.012 11.120 167 H ASN 19 H ASN 19 7.768 -7.922 10.556 168 HA ASN 19 HA ASN 19 5.824 -5.949 9.659 169 HB2 ASN 19 2HB ASN 19 7.082 -5.715 11.858 170 HB3 ASN 19 1HB ASN 19 8.538 -5.391 10.925 171 HD21 ASN 19 1HD2 ASN 19 5.379 -4.180 11.816 172 HD22 ASN 19 2HD2 ASN 19 5.641 -2.548 11.326 173 H ASN 20 H ASN 20 5.870 -6.267 7.490 174 HA ASN 20 HA ASN 20 8.353 -5.993 5.935 175 HB2 ASN 20 2HB ASN 20 6.821 -7.950 5.602 176 HB3 ASN 20 1HB ASN 20 5.539 -6.853 5.115 177 HD21 ASN 20 1HD2 ASN 20 6.869 -9.065 3.701 178 HD22 ASN 20 2HD2 ASN 20 7.431 -8.395 2.217 179 H VAL 21 H VAL 21 8.774 -4.106 4.916 180 HA VAL 21 HA VAL 21 6.803 -1.956 4.799 181 HB VAL 21 HB VAL 21 9.767 -2.041 4.025 182 HG11 VAL 21 1HG1 VAL 21 9.613 0.424 3.747 183 HG12 VAL 21 2HG1 VAL 21 7.868 0.338 3.989 184 HG13 VAL 21 3HG1 VAL 21 8.597 -0.425 2.575 185 HG21 VAL 21 3HG2 VAL 21 9.352 -2.145 6.452 186 HG22 VAL 21 1HG2 VAL 21 8.338 -0.702 6.353 187 HG23 VAL 21 2HG2 VAL 21 10.066 -0.591 6.011 188 H MET 22 H MET 22 5.394 -2.299 3.256 189 HA MET 22 HA MET 22 6.123 -3.138 0.535 190 HB2 MET 22 2HB MET 22 4.243 -4.303 1.561 191 HB3 MET 22 1HB MET 22 3.461 -2.785 1.979 192 HG2 MET 22 2HG MET 22 3.130 -2.305 -0.423 193 HG3 MET 22 1HG MET 22 3.886 -3.853 -0.827 194 HE1 MET 22 3HE MET 22 0.013 -4.357 -1.528 195 HE2 MET 22 1HE MET 22 1.610 -4.278 -2.263 196 HE3 MET 22 2HE MET 22 0.844 -2.808 -1.665 197 H ILE 23 H ILE 23 6.087 -1.694 -1.132 198 HA ILE 23 HA ILE 23 5.173 1.074 -0.637 199 HB ILE 23 HB ILE 23 6.888 0.099 -2.967 200 HG12 ILE 23 2HG1 ILE 23 8.160 -0.332 -0.889 201 HG13 ILE 23 1HG1 ILE 23 8.874 1.029 -1.745 202 HG21 ILE 23 1HG2 ILE 23 7.445 2.502 -3.212 203 HG22 ILE 23 2HG2 ILE 23 6.368 2.885 -1.868 204 HG23 ILE 23 3HG2 ILE 23 5.708 2.218 -3.362 205 HD11 ILE 23 3HD1 ILE 23 8.839 1.430 0.636 206 HD12 ILE 23 1HD1 ILE 23 7.094 1.185 0.691 207 HD13 ILE 23 2HD1 ILE 23 7.765 2.572 -0.170 208 H ILE 24 H ILE 24 3.444 1.837 -1.741 209 HA ILE 24 HA ILE 24 2.073 0.102 -3.728 210 HB ILE 24 HB ILE 24 0.689 1.838 -1.630 211 HG12 ILE 24 2HG1 ILE 24 1.109 -1.173 -1.440 212 HG13 ILE 24 1HG1 ILE 24 1.995 0.017 -0.497 213 HG21 ILE 24 1HG2 ILE 24 -0.666 1.348 -3.625 214 HG22 ILE 24 2HG2 ILE 24 -1.333 0.557 -2.196 215 HG23 ILE 24 3HG2 ILE 24 -0.418 -0.384 -3.376 216 HD11 ILE 24 3HD1 ILE 24 0.242 -0.989 0.813 217 HD12 ILE 24 1HD1 ILE 24 -0.974 -0.493 -0.363 218 HD13 ILE 24 2HD1 ILE 24 -0.092 0.723 0.565 219 H LYS 25 H LYS 25 0.994 1.242 -5.420 220 HA LYS 25 HA LYS 25 1.161 4.202 -5.399 221 HB2 LYS 25 2HB LYS 25 1.819 2.257 -7.560 222 HB3 LYS 25 1HB LYS 25 0.856 3.624 -8.086 223 HG2 LYS 25 2HG LYS 25 3.588 3.730 -6.784 224 HG3 LYS 25 1HG LYS 25 3.195 4.089 -8.462 225 HD2 LYS 25 2HD LYS 25 2.401 5.692 -6.010 226 HD3 LYS 25 1HD LYS 25 3.538 6.168 -7.269 227 HE2 LYS 25 2HE LYS 25 0.535 5.843 -7.549 228 HE3 LYS 25 1HE LYS 25 1.446 7.348 -7.599 229 HZ1 LYS 25 3HZ LYS 25 0.831 6.676 -9.799 230 HZ2 LYS 25 1HZ LYS 25 1.555 5.158 -9.601 231 HZ3 LYS 25 2HZ LYS 25 2.506 6.551 -9.646 232 HA PRO 26 HA PRO 26 -3.408 3.561 -5.516 233 HB2 PRO 26 2HB PRO 26 -3.310 6.430 -4.646 234 HB3 PRO 26 1HB PRO 26 -4.201 5.070 -3.931 235 HG2 PRO 26 2HG PRO 26 -2.055 6.103 -2.696 236 HG3 PRO 26 1HG PRO 26 -2.381 4.352 -2.663 237 HD2 PRO 26 2HD PRO 26 -0.419 5.869 -4.388 238 HD3 PRO 26 1HD PRO 26 -0.204 4.327 -3.524 239 H LEU 27 H LEU 27 -4.565 4.008 -7.377 240 HA LEU 27 HA LEU 27 -3.448 5.323 -9.611 241 HB2 LEU 27 2HB LEU 27 -6.383 4.718 -9.086 242 HB3 LEU 27 1HB LEU 27 -5.691 5.123 -10.649 243 HG LEU 27 HG LEU 27 -5.144 2.592 -9.050 244 HD11 LEU 27 1HD1 LEU 27 -6.295 1.445 -10.897 245 HD12 LEU 27 2HD1 LEU 27 -6.648 3.003 -11.651 246 HD13 LEU 27 3HD1 LEU 27 -7.349 2.602 -10.081 247 HD21 LEU 27 3HD2 LEU 27 -4.003 3.390 -11.756 248 HD22 LEU 27 1HD2 LEU 27 -3.833 1.809 -10.988 249 HD23 LEU 27 2HD2 LEU 27 -3.101 3.228 -10.245 250 H ASP 28 H ASP 28 -5.443 6.436 -7.031 251 HA ASP 28 HA ASP 28 -6.349 8.926 -8.087 252 HB2 ASP 28 2HB ASP 28 -7.546 7.626 -6.343 253 HB3 ASP 28 1HB ASP 28 -6.207 7.843 -5.229 254 H VAL 29 H VAL 29 -3.422 7.887 -6.527 255 HA VAL 29 HA VAL 29 -2.603 10.660 -5.818 256 HB VAL 29 HB VAL 29 -1.851 7.999 -4.516 257 HG11 VAL 29 1HG1 VAL 29 -0.947 10.787 -3.730 258 HG12 VAL 29 2HG1 VAL 29 0.069 9.532 -4.438 259 HG13 VAL 29 3HG1 VAL 29 -0.622 9.304 -2.833 260 HG21 VAL 29 3HG2 VAL 29 -3.503 10.299 -3.428 261 HG22 VAL 29 1HG2 VAL 29 -3.063 8.830 -2.552 262 HG23 VAL 29 2HG2 VAL 29 -4.130 8.734 -3.955 263 H ASN 30 H ASN 30 -1.009 11.405 -7.110 264 HA ASN 30 HA ASN 30 1.223 9.625 -7.889 265 HB2 ASN 30 2HB ASN 30 -0.274 11.511 -9.768 266 HB3 ASN 30 1HB ASN 30 1.314 10.848 -10.137 267 HD21 ASN 30 1HD2 ASN 30 -2.082 10.118 -9.755 268 HD22 ASN 30 2HD2 ASN 30 -2.041 8.564 -10.511 269 H SER 31 H SER 31 0.556 12.029 -5.959 270 HA SER 31 HA SER 31 3.244 13.261 -6.257 271 HB2 SER 31 2HB SER 31 0.729 14.853 -5.515 272 HB3 SER 31 1HB SER 31 2.367 15.486 -5.709 273 HG SER 31 HG SER 31 0.609 14.476 -7.665 274 H ARG 32 H ARG 32 4.177 13.923 -4.294 275 HA ARG 32 HA ARG 32 3.841 12.193 -2.129 276 HB2 ARG 32 2HB ARG 32 5.984 13.204 -2.583 277 HB3 ARG 32 1HB ARG 32 5.352 14.825 -2.348 278 HG2 ARG 32 2HG ARG 32 5.108 14.427 0.045 279 HG3 ARG 32 1HG ARG 32 5.560 12.734 -0.151 280 HD2 ARG 32 2HD ARG 32 7.828 13.364 -0.786 281 HD3 ARG 32 1HD ARG 32 7.391 15.079 -0.766 282 HE ARG 32 HE ARG 32 6.786 14.439 1.720 283 HH11 ARG 32 1HH1 ARG 32 9.668 13.544 -0.089 284 HH12 ARG 32 2HH1 ARG 32 10.669 13.476 1.324 285 HH21 ARG 32 1HH2 ARG 32 8.098 14.339 3.551 286 HH22 ARG 32 2HH2 ARG 32 9.775 13.928 3.394 287 H GLU 33 H GLU 33 2.725 15.547 -2.571 288 HA GLU 33 HA GLU 33 1.762 16.001 0.041 289 HB2 GLU 33 2HB GLU 33 1.103 17.229 -2.656 290 HB3 GLU 33 1HB GLU 33 0.169 17.686 -1.232 291 HG2 GLU 33 2HG GLU 33 1.977 19.288 -1.705 292 HG3 GLU 33 1HG GLU 33 2.158 18.527 -0.127 293 H GLU 34 H GLU 34 0.202 14.587 -2.797 294 HA GLU 34 HA GLU 34 -2.402 14.262 -1.726 295 HB2 GLU 34 2HB GLU 34 -0.997 12.620 -3.868 296 HB3 GLU 34 1HB GLU 34 -2.731 12.610 -3.558 297 HG2 GLU 34 2HG GLU 34 -2.845 15.003 -4.182 298 HG3 GLU 34 1HG GLU 34 -1.113 14.987 -4.525 299 H ALA 35 H ALA 35 0.497 12.274 -1.621 300 HA ALA 35 HA ALA 35 -0.679 10.008 -0.278 301 HB1 ALA 35 3HB ALA 35 2.232 10.799 -0.688 302 HB2 ALA 35 1HB ALA 35 1.275 9.764 -1.749 303 HB3 ALA 35 2HB ALA 35 1.664 9.229 -0.112 304 H SER 36 H SER 36 0.810 13.023 0.688 305 HA SER 36 HA SER 36 1.672 12.255 3.317 306 HB2 SER 36 2HB SER 36 2.816 14.057 2.111 307 HB3 SER 36 1HB SER 36 1.341 15.018 2.055 308 HG SER 36 HG SER 36 1.464 15.349 4.224 309 H LYS 37 H LYS 37 -1.245 13.771 1.973 310 HA LYS 37 HA LYS 37 -2.439 14.321 4.555 311 HB2 LYS 37 2HB LYS 37 -4.384 15.050 3.355 312 HB3 LYS 37 1HB LYS 37 -2.987 15.608 2.442 313 HG2 LYS 37 2HG LYS 37 -3.299 13.907 0.760 314 HG3 LYS 37 1HG LYS 37 -4.523 13.088 1.736 315 HD2 LYS 37 2HD LYS 37 -5.975 15.144 1.517 316 HD3 LYS 37 1HD LYS 37 -4.781 15.813 0.400 317 HE2 LYS 37 2HE LYS 37 -6.393 13.266 0.005 318 HE3 LYS 37 1HE LYS 37 -6.614 14.792 -0.851 319 HZ1 LYS 37 3HZ LYS 37 -5.400 13.210 -2.187 320 HZ2 LYS 37 1HZ LYS 37 -4.210 13.056 -0.996 321 HZ3 LYS 37 2HZ LYS 37 -4.409 14.528 -1.806 322 H LEU 38 H LEU 38 -1.931 11.521 2.789 323 HA LEU 38 HA LEU 38 -4.309 10.089 3.815 324 HB2 LEU 38 2HB LEU 38 -2.509 9.579 1.415 325 HB3 LEU 38 1HB LEU 38 -3.717 8.436 1.977 326 HG LEU 38 HG LEU 38 -4.231 11.198 0.819 327 HD11 LEU 38 1HD1 LEU 38 -5.372 10.007 -0.973 328 HD12 LEU 38 2HD1 LEU 38 -5.008 8.456 -0.213 329 HD13 LEU 38 3HD1 LEU 38 -3.700 9.466 -0.834 330 HD21 LEU 38 3HD2 LEU 38 -5.829 10.832 2.624 331 HD22 LEU 38 1HD2 LEU 38 -6.262 9.254 1.963 332 HD23 LEU 38 2HD2 LEU 38 -6.643 10.728 1.066 333 H ILE 39 H ILE 39 -1.615 10.673 5.146 334 HA ILE 39 HA ILE 39 -0.430 8.090 5.591 335 HB ILE 39 HB ILE 39 -0.192 10.661 7.221 336 HG12 ILE 39 2HG1 ILE 39 0.693 11.013 4.988 337 HG13 ILE 39 1HG1 ILE 39 2.056 10.869 6.088 338 HG21 ILE 39 1HG2 ILE 39 1.515 8.143 7.405 339 HG22 ILE 39 2HG2 ILE 39 0.400 8.744 8.636 340 HG23 ILE 39 3HG2 ILE 39 1.848 9.668 8.232 341 HD11 ILE 39 3HD1 ILE 39 2.549 9.713 4.068 342 HD12 ILE 39 1HD1 ILE 39 1.045 8.799 4.147 343 HD13 ILE 39 2HD1 ILE 39 2.323 8.504 5.330 344 H GLY 40 H GLY 40 -0.964 6.601 7.081 345 HA2 GLY 40 2HA GLY 40 -1.663 5.940 9.267 346 HA3 GLY 40 1HA GLY 40 -2.847 7.239 9.278 347 H ARG 41 H ARG 41 -3.163 6.100 6.253 348 HA ARG 41 HA ARG 41 -5.667 4.895 6.702 349 HB2 ARG 41 2HB ARG 41 -3.887 4.906 4.248 350 HB3 ARG 41 1HB ARG 41 -5.484 4.171 4.253 351 HG2 ARG 41 2HG ARG 41 -6.471 6.388 4.799 352 HG3 ARG 41 1HG ARG 41 -4.859 7.108 4.687 353 HD2 ARG 41 2HD ARG 41 -6.299 5.647 2.437 354 HD3 ARG 41 1HD ARG 41 -6.153 7.403 2.588 355 HE ARG 41 HE ARG 41 -3.571 6.618 2.617 356 HH11 ARG 41 1HH1 ARG 41 -6.158 5.810 0.367 357 HH12 ARG 41 2HH1 ARG 41 -5.087 5.620 -0.978 358 HH21 ARG 41 1HH2 ARG 41 -2.193 6.432 0.805 359 HH22 ARG 41 2HH2 ARG 41 -2.844 5.971 -0.733 360 H LEU 42 H LEU 42 -6.411 2.781 6.423 361 HA LEU 42 HA LEU 42 -4.575 0.623 7.170 362 HB2 LEU 42 2HB LEU 42 -6.632 0.850 8.466 363 HB3 LEU 42 1HB LEU 42 -7.608 0.833 7.007 364 HG LEU 42 HG LEU 42 -6.926 -1.562 6.615 365 HD11 LEU 42 1HD1 LEU 42 -5.635 -1.365 9.345 366 HD12 LEU 42 2HD1 LEU 42 -4.809 -1.605 7.803 367 HD13 LEU 42 3HD1 LEU 42 -5.887 -2.851 8.425 368 HD21 LEU 42 3HD2 LEU 42 -9.059 -1.059 7.681 369 HD22 LEU 42 1HD2 LEU 42 -8.286 -1.034 9.269 370 HD23 LEU 42 2HD2 LEU 42 -8.367 -2.538 8.344 371 H VAL 43 H VAL 43 -3.742 -0.638 5.580 372 HA VAL 43 HA VAL 43 -5.079 -0.812 2.949 373 HB VAL 43 HB VAL 43 -2.274 -1.782 3.686 374 HG11 VAL 43 1HG1 VAL 43 -3.562 -1.292 0.970 375 HG12 VAL 43 2HG1 VAL 43 -3.237 -2.872 1.689 376 HG13 VAL 43 3HG1 VAL 43 -1.900 -1.812 1.244 377 HG21 VAL 43 3HG2 VAL 43 -3.063 0.861 2.406 378 HG22 VAL 43 1HG2 VAL 43 -1.413 0.274 2.611 379 HG23 VAL 43 2HG2 VAL 43 -2.397 0.652 4.028 380 H LEU 44 H LEU 44 -5.867 -2.696 2.192 381 HA LEU 44 HA LEU 44 -5.479 -5.254 3.637 382 HB2 LEU 44 2HB LEU 44 -8.095 -4.208 2.439 383 HB3 LEU 44 1HB LEU 44 -7.872 -5.784 3.180 384 HG LEU 44 HG LEU 44 -7.716 -3.122 4.652 385 HD11 LEU 44 1HD1 LEU 44 -9.915 -5.214 4.649 386 HD12 LEU 44 2HD1 LEU 44 -9.994 -3.607 3.919 387 HD13 LEU 44 3HD1 LEU 44 -9.856 -3.771 5.666 388 HD21 LEU 44 3HD2 LEU 44 -7.693 -4.472 6.713 389 HD22 LEU 44 1HD2 LEU 44 -6.281 -4.801 5.707 390 HD23 LEU 44 2HD2 LEU 44 -7.619 -5.951 5.752 391 H TRP 45 H TRP 45 -4.536 -6.637 2.177 392 HA TRP 45 HA TRP 45 -5.406 -6.557 -0.663 393 HB2 TRP 45 2HB TRP 45 -3.139 -5.586 -0.536 394 HB3 TRP 45 1HB TRP 45 -2.552 -6.983 0.360 395 HD1 TRP 45 HD1 TRP 45 -4.158 -6.301 -3.140 396 HE1 TRP 45 HE1 TRP 45 -3.080 -7.893 -4.828 397 HE3 TRP 45 HE3 TRP 45 -1.157 -8.939 0.014 398 HZ2 TRP 45 HZ2 TRP 45 -1.211 -9.995 -4.857 399 HZ3 TRP 45 HZ3 TRP 45 0.255 -10.737 -0.911 400 HH2 TRP 45 HH2 TRP 45 0.217 -11.263 -3.297 401 H LYS 46 H LYS 46 -6.104 -8.501 -1.377 402 HA LYS 46 HA LYS 46 -5.967 -10.825 0.369 403 HB2 LYS 46 2HB LYS 46 -8.101 -10.266 -0.758 404 HB3 LYS 46 1HB LYS 46 -7.330 -10.450 -2.331 405 HG2 LYS 46 2HG LYS 46 -6.845 -12.881 -1.691 406 HG3 LYS 46 1HG LYS 46 -7.869 -12.625 -0.276 407 HD2 LYS 46 2HD LYS 46 -9.161 -13.705 -2.039 408 HD3 LYS 46 1HD LYS 46 -9.773 -12.070 -1.779 409 HE2 LYS 46 2HE LYS 46 -8.564 -11.279 -3.772 410 HE3 LYS 46 1HE LYS 46 -7.865 -12.884 -4.003 411 HZ1 LYS 46 3HZ LYS 46 -10.099 -13.756 -4.331 412 HZ2 LYS 46 1HZ LYS 46 -9.734 -12.557 -5.460 413 HZ3 LYS 46 2HZ LYS 46 -10.755 -12.215 -4.157 414 H SER 47 H SER 47 -4.138 -11.936 0.284 415 HA SER 47 HA SER 47 -2.427 -12.238 -2.013 416 HB2 SER 47 2HB SER 47 -1.776 -12.186 0.505 417 HB3 SER 47 1HB SER 47 -2.332 -13.849 0.568 418 HG SER 47 HG SER 47 0.023 -12.975 -0.168 419 HA PRO 48 HA PRO 48 -4.362 -15.858 -3.890 420 HB2 PRO 48 2HB PRO 48 -2.191 -17.357 -4.746 421 HB3 PRO 48 1HB PRO 48 -2.753 -15.875 -5.542 422 HG2 PRO 48 2HG PRO 48 -0.530 -16.183 -3.544 423 HG3 PRO 48 1HG PRO 48 -0.545 -15.287 -5.082 424 HD2 PRO 48 2HD PRO 48 -0.883 -13.990 -2.760 425 HD3 PRO 48 1HD PRO 48 -1.817 -13.517 -4.200 426 H SER 49 H SER 49 -2.414 -16.283 -1.077 427 HA SER 49 HA SER 49 -2.928 -19.052 -0.576 428 HB2 SER 49 2HB SER 49 -2.335 -18.417 1.807 429 HB3 SER 49 1HB SER 49 -1.140 -17.912 0.613 430 HG SER 49 HG SER 49 -1.393 -16.017 1.463 431 H GLY 50 H GLY 50 -4.937 -16.323 -0.607 432 HA2 GLY 50 2HA GLY 50 -7.267 -16.319 -0.321 433 HA3 GLY 50 1HA GLY 50 -7.148 -17.671 0.799 434 H LYS 51 H LYS 51 -4.717 -15.789 1.804 435 HA LYS 51 HA LYS 51 -6.284 -14.700 4.013 436 HB2 LYS 51 2HB LYS 51 -3.286 -15.009 3.582 437 HB3 LYS 51 1HB LYS 51 -4.004 -14.295 5.025 438 HG2 LYS 51 2HG LYS 51 -5.179 -16.418 5.491 439 HG3 LYS 51 1HG LYS 51 -4.422 -17.146 4.068 440 HD2 LYS 51 2HD LYS 51 -2.216 -16.909 5.055 441 HD3 LYS 51 1HD LYS 51 -2.861 -15.982 6.410 442 HE2 LYS 51 2HE LYS 51 -4.132 -17.987 7.144 443 HE3 LYS 51 1HE LYS 51 -3.423 -18.906 5.815 444 HZ1 LYS 51 3HZ LYS 51 -1.262 -18.609 6.753 445 HZ2 LYS 51 1HZ LYS 51 -2.284 -19.232 7.943 446 HZ3 LYS 51 2HZ LYS 51 -1.859 -17.597 7.972 447 H ILE 52 H ILE 52 -6.685 -12.591 4.293 448 HA ILE 52 HA ILE 52 -5.747 -10.604 2.394 449 HB ILE 52 HB ILE 52 -7.539 -10.262 4.852 450 HG12 ILE 52 2HG1 ILE 52 -8.291 -10.525 1.895 451 HG13 ILE 52 1HG1 ILE 52 -8.550 -11.756 3.124 452 HG21 ILE 52 1HG2 ILE 52 -8.157 -8.068 3.856 453 HG22 ILE 52 2HG2 ILE 52 -6.987 -8.328 2.562 454 HG23 ILE 52 3HG2 ILE 52 -6.431 -8.144 4.226 455 HD11 ILE 52 3HD1 ILE 52 -10.110 -10.250 4.281 456 HD12 ILE 52 1HD1 ILE 52 -10.604 -10.616 2.629 457 HD13 ILE 52 2HD1 ILE 52 -9.880 -9.053 3.002 458 H LEU 53 H LEU 53 -3.671 -10.053 2.683 459 HA LEU 53 HA LEU 53 -2.343 -9.767 5.203 460 HB2 LEU 53 2HB LEU 53 -1.495 -8.601 2.519 461 HB3 LEU 53 1HB LEU 53 -0.471 -8.915 3.912 462 HG LEU 53 HG LEU 53 -1.672 -10.913 1.976 463 HD11 LEU 53 1HD1 LEU 53 1.191 -10.406 2.833 464 HD12 LEU 53 2HD1 LEU 53 0.449 -9.944 1.298 465 HD13 LEU 53 3HD1 LEU 53 0.659 -11.647 1.696 466 HD21 LEU 53 3HD2 LEU 53 -0.781 -12.752 3.383 467 HD22 LEU 53 1HD2 LEU 53 -2.108 -11.879 4.152 468 HD23 LEU 53 2HD2 LEU 53 -0.446 -11.588 4.667 469 H LYS 54 H LYS 54 -2.653 -8.128 6.553 470 HA LYS 54 HA LYS 54 -3.709 -5.553 5.561 471 HB2 LYS 54 2HB LYS 54 -4.615 -5.240 7.859 472 HB3 LYS 54 1HB LYS 54 -5.275 -6.651 7.041 473 HG2 LYS 54 2HG LYS 54 -3.656 -8.080 8.335 474 HG3 LYS 54 1HG LYS 54 -3.183 -6.642 9.240 475 HD2 LYS 54 2HD LYS 54 -5.977 -7.845 9.141 476 HD3 LYS 54 1HD LYS 54 -4.838 -8.001 10.477 477 HE2 LYS 54 2HE LYS 54 -6.024 -5.377 9.503 478 HE3 LYS 54 1HE LYS 54 -6.573 -6.282 10.914 479 HZ1 LYS 54 3HZ LYS 54 -4.350 -6.013 11.869 480 HZ2 LYS 54 1HZ LYS 54 -5.110 -4.532 11.585 481 HZ3 LYS 54 2HZ LYS 54 -3.894 -5.062 10.548 482 H GLY 55 H GLY 55 -2.863 -3.659 6.289 483 HA2 GLY 55 2HA GLY 55 -0.586 -3.468 8.074 484 HA3 GLY 55 1HA GLY 55 -0.197 -3.217 6.368 485 H LYS 56 H LYS 56 0.410 -1.048 7.413 486 HA LYS 56 HA LYS 56 -1.821 0.827 7.055 487 HB2 LYS 56 2HB LYS 56 -1.895 0.346 9.446 488 HB3 LYS 56 1HB LYS 56 -0.171 0.662 9.616 489 HG2 LYS 56 2HG LYS 56 -0.483 3.027 9.197 490 HG3 LYS 56 1HG LYS 56 -2.169 2.783 8.734 491 HD2 LYS 56 2HD LYS 56 -1.031 2.295 11.511 492 HD3 LYS 56 1HD LYS 56 -1.930 3.733 11.019 493 HE2 LYS 56 2HE LYS 56 -3.900 2.295 10.501 494 HE3 LYS 56 1HE LYS 56 -3.003 0.887 11.071 495 HZ1 LYS 56 3HZ LYS 56 -4.421 1.673 12.799 496 HZ2 LYS 56 1HZ LYS 56 -3.807 3.245 12.676 497 HZ3 LYS 56 2HZ LYS 56 -2.824 2.001 13.246 498 H ILE 57 H ILE 57 -1.233 2.620 6.080 499 HA ILE 57 HA ILE 57 1.382 3.098 5.077 500 HB ILE 57 HB ILE 57 -1.070 4.927 5.149 501 HG12 ILE 57 2HG1 ILE 57 -0.007 3.138 2.911 502 HG13 ILE 57 1HG1 ILE 57 -1.384 2.758 3.936 503 HG21 ILE 57 1HG2 ILE 57 0.023 6.224 3.331 504 HG22 ILE 57 2HG2 ILE 57 1.466 5.221 3.478 505 HG23 ILE 57 3HG2 ILE 57 0.984 6.269 4.814 506 HD11 ILE 57 3HD1 ILE 57 -2.566 4.704 3.036 507 HD12 ILE 57 1HD1 ILE 57 -2.120 3.529 1.804 508 HD13 ILE 57 2HD1 ILE 57 -1.198 5.022 1.966 509 H VAL 58 H VAL 58 2.960 3.630 6.415 510 HA VAL 58 HA VAL 58 2.520 5.218 8.842 511 HB VAL 58 HB VAL 58 4.870 4.576 9.415 512 HG11 VAL 58 1HG1 VAL 58 4.415 2.174 9.795 513 HG12 VAL 58 2HG1 VAL 58 3.092 2.233 8.626 514 HG13 VAL 58 3HG1 VAL 58 2.985 3.156 10.127 515 HG21 VAL 58 3HG2 VAL 58 6.083 2.913 8.025 516 HG22 VAL 58 1HG2 VAL 58 5.809 4.410 7.129 517 HG23 VAL 58 2HG2 VAL 58 4.808 2.993 6.806 518 H ARG 59 H ARG 59 4.001 5.533 5.670 519 HA ARG 59 HA ARG 59 4.635 8.335 6.075 520 HB2 ARG 59 2HB ARG 59 6.608 7.009 7.059 521 HB3 ARG 59 1HB ARG 59 6.930 6.415 5.436 522 HG2 ARG 59 2HG ARG 59 7.454 8.671 4.664 523 HG3 ARG 59 1HG ARG 59 6.970 9.356 6.217 524 HD2 ARG 59 2HD ARG 59 9.321 7.494 5.736 525 HD3 ARG 59 1HD ARG 59 9.407 9.232 6.058 526 HE ARG 59 HE ARG 59 8.411 7.221 7.992 527 HH11 ARG 59 1HH1 ARG 59 10.153 10.218 7.396 528 HH12 ARG 59 2HH1 ARG 59 10.516 10.472 9.073 529 HH21 ARG 59 1HH2 ARG 59 8.850 7.570 10.166 530 HH22 ARG 59 2HH2 ARG 59 9.773 8.959 10.649 531 H VAL 60 H VAL 60 5.715 9.169 3.941 532 HA VAL 60 HA VAL 60 4.527 7.884 1.580 533 HB VAL 60 HB VAL 60 5.218 9.917 0.347 534 HG11 VAL 60 1HG1 VAL 60 3.812 11.587 1.476 535 HG12 VAL 60 2HG1 VAL 60 3.898 10.665 2.981 536 HG13 VAL 60 3HG1 VAL 60 3.075 9.984 1.578 537 HG21 VAL 60 3HG2 VAL 60 7.345 10.408 1.486 538 HG22 VAL 60 1HG2 VAL 60 6.475 10.854 2.956 539 HG23 VAL 60 2HG2 VAL 60 6.304 11.833 1.496 540 H HIS 61 H HIS 61 6.002 7.863 -0.380 541 HA HIS 61 HA HIS 61 8.815 7.201 0.193 542 HB2 HIS 61 2HB HIS 61 7.538 5.049 0.133 543 HB3 HIS 61 1HB HIS 61 6.928 5.455 -1.468 544 HD1 HIS 61 HD1 HIS 61 8.356 4.775 -3.422 545 HD2 HIS 61 HD2 HIS 61 10.425 4.554 0.174 546 HE1 HIS 61 HE1 HIS 61 10.524 3.636 -3.957 547 HE2 HIS 61 HE2 HIS 61 11.704 3.409 -1.754 548 H GLY 62 H GLY 62 9.737 8.848 -0.847 549 HA2 GLY 62 2HA GLY 62 10.537 10.141 -2.567 550 HA3 GLY 62 1HA GLY 62 9.674 9.109 -3.695 551 H THR 63 H THR 63 8.870 10.754 -4.978 552 HA THR 63 HA THR 63 7.226 12.861 -3.721 553 HB THR 63 HB THR 63 8.471 13.376 -6.404 554 HG1 THR 63 HG1 THR 63 10.457 13.942 -5.410 555 HG21 THR 63 3HG2 THR 63 8.742 15.657 -5.497 556 HG22 THR 63 1HG2 THR 63 8.130 15.107 -3.930 557 HG23 THR 63 2HG2 THR 63 7.071 15.108 -5.343 558 H LYS 64 H LYS 64 7.213 10.267 -5.942 559 HA LYS 64 HA LYS 64 5.105 11.340 -7.667 560 HB2 LYS 64 2HB LYS 64 6.734 8.771 -7.835 561 HB3 LYS 64 1HB LYS 64 5.430 9.170 -8.947 562 HG2 LYS 64 2HG LYS 64 7.310 9.826 -10.155 563 HG3 LYS 64 1HG LYS 64 6.794 11.345 -9.432 564 HD2 LYS 64 2HD LYS 64 9.051 11.483 -8.948 565 HD3 LYS 64 1HD LYS 64 8.544 10.589 -7.515 566 HE2 LYS 64 2HE LYS 64 9.792 9.437 -10.035 567 HE3 LYS 64 1HE LYS 64 10.558 9.594 -8.458 568 HZ1 LYS 64 3HZ LYS 64 8.873 8.020 -7.596 569 HZ2 LYS 64 1HZ LYS 64 9.877 7.346 -8.777 570 HZ3 LYS 64 2HZ LYS 64 8.299 7.805 -9.167 571 H GLY 65 H GLY 65 4.681 10.473 -4.765 572 HA2 GLY 65 2HA GLY 65 2.654 10.123 -3.748 573 HA3 GLY 65 1HA GLY 65 1.957 9.736 -5.308 574 H ALA 66 H ALA 66 4.733 7.900 -4.467 575 HA ALA 66 HA ALA 66 3.222 5.495 -4.028 576 HB1 ALA 66 3HB ALA 66 5.420 5.412 -5.135 577 HB2 ALA 66 1HB ALA 66 5.417 4.439 -3.665 578 HB3 ALA 66 2HB ALA 66 6.189 6.027 -3.671 579 H VAL 67 H VAL 67 2.571 4.691 -2.087 580 HA VAL 67 HA VAL 67 3.231 6.225 0.358 581 HB VAL 67 HB VAL 67 1.172 5.153 1.349 582 HG11 VAL 67 1HG1 VAL 67 0.677 6.753 -1.191 583 HG12 VAL 67 2HG1 VAL 67 1.054 7.415 0.401 584 HG13 VAL 67 3HG1 VAL 67 -0.465 6.557 0.144 585 HG21 VAL 67 3HG2 VAL 67 -0.495 4.085 -0.149 586 HG22 VAL 67 1HG2 VAL 67 1.001 3.147 -0.062 587 HG23 VAL 67 2HG2 VAL 67 0.667 4.144 -1.480 588 H ARG 68 H ARG 68 4.028 5.243 2.137 589 HA ARG 68 HA ARG 68 5.276 2.594 1.793 590 HB2 ARG 68 2HB ARG 68 6.723 4.607 2.278 591 HB3 ARG 68 1HB ARG 68 5.892 4.810 3.817 592 HG2 ARG 68 2HG ARG 68 6.699 2.549 4.502 593 HG3 ARG 68 1HG ARG 68 7.579 2.437 2.980 594 HD2 ARG 68 2HD ARG 68 8.798 4.588 3.717 595 HD3 ARG 68 1HD ARG 68 8.108 4.292 5.318 596 HE ARG 68 HE ARG 68 9.793 2.322 3.896 597 HH11 ARG 68 1HH1 ARG 68 9.039 4.003 6.878 598 HH12 ARG 68 2HH1 ARG 68 10.217 3.124 7.798 599 HH21 ARG 68 1HH2 ARG 68 11.293 1.187 5.093 600 HH22 ARG 68 2HH2 ARG 68 11.496 1.526 6.778 601 H ALA 69 H ALA 69 3.958 1.051 2.564 602 HA ALA 69 HA ALA 69 2.457 1.474 5.088 603 HB1 ALA 69 3HB ALA 69 1.798 -0.367 2.751 604 HB2 ALA 69 1HB ALA 69 1.018 1.177 3.117 605 HB3 ALA 69 2HB ALA 69 0.847 -0.179 4.229 606 H ARG 70 H ARG 70 3.224 0.333 6.793 607 HA ARG 70 HA ARG 70 4.918 -2.027 6.370 608 HB2 ARG 70 2HB ARG 70 4.097 -0.728 9.006 609 HB3 ARG 70 1HB ARG 70 5.278 -2.018 8.805 610 HG2 ARG 70 2HG ARG 70 6.656 -0.404 7.420 611 HG3 ARG 70 1HG ARG 70 5.524 0.862 7.908 612 HD2 ARG 70 2HD ARG 70 7.353 -0.778 9.687 613 HD3 ARG 70 1HD ARG 70 7.407 0.963 9.405 614 HE ARG 70 HE ARG 70 5.023 0.815 10.505 615 HH11 ARG 70 1HH1 ARG 70 7.870 -0.988 11.525 616 HH12 ARG 70 2HH1 ARG 70 7.359 -1.090 13.180 617 HH21 ARG 70 1HH2 ARG 70 4.354 0.641 12.672 618 HH22 ARG 70 2HH2 ARG 70 5.365 -0.166 13.831 619 H PHE 71 H PHE 71 3.869 -3.854 6.021 620 HA PHE 71 HA PHE 71 1.266 -4.492 7.086 621 HB2 PHE 71 2HB PHE 71 3.239 -5.886 5.246 622 HB3 PHE 71 1HB PHE 71 1.867 -6.775 5.913 623 HD1 PHE 71 HD1 PHE 71 2.406 -3.363 4.370 624 HD2 PHE 71 HD2 PHE 71 0.055 -6.938 4.455 625 HE1 PHE 71 HE1 PHE 71 0.936 -2.447 2.624 626 HE2 PHE 71 HE2 PHE 71 -1.400 -6.011 2.708 627 HZ PHE 71 HZ PHE 71 -0.968 -3.774 1.796 628 H GLU 72 H GLU 72 0.794 -5.776 8.767 629 HA GLU 72 HA GLU 72 2.863 -6.450 10.699 630 HB2 GLU 72 2HB GLU 72 0.952 -7.097 12.143 631 HB3 GLU 72 1HB GLU 72 0.728 -5.493 11.450 632 HG2 GLU 72 2HG GLU 72 -0.812 -6.423 9.759 633 HG3 GLU 72 1HG GLU 72 -0.578 -8.034 10.432 634 H LYS 73 H LYS 73 1.038 -8.055 8.244 635 HA LYS 73 HA LYS 73 1.288 -10.751 9.248 636 HB2 LYS 73 2HB LYS 73 0.508 -9.745 6.465 637 HB3 LYS 73 1HB LYS 73 0.324 -11.395 7.047 638 HG2 LYS 73 2HG LYS 73 -1.109 -8.967 8.167 639 HG3 LYS 73 1HG LYS 73 -1.812 -10.170 7.083 640 HD2 LYS 73 2HD LYS 73 -1.473 -11.922 8.817 641 HD3 LYS 73 1HD LYS 73 -0.773 -10.713 9.898 642 HE2 LYS 73 2HE LYS 73 -2.939 -9.494 9.893 643 HE3 LYS 73 1HE LYS 73 -3.629 -10.751 8.862 644 HZ1 LYS 73 3HZ LYS 73 -3.207 -12.361 10.623 645 HZ2 LYS 73 1HZ LYS 73 -4.187 -11.101 11.180 646 HZ3 LYS 73 2HZ LYS 73 -2.553 -11.151 11.602 647 H GLY 74 H GLY 74 2.677 -8.928 6.496 648 HA2 GLY 74 2HA GLY 74 4.625 -9.101 5.318 649 HA3 GLY 74 1HA GLY 74 5.318 -9.795 6.771 650 H LEU 75 H LEU 75 2.647 -11.318 5.157 651 HA LEU 75 HA LEU 75 4.091 -13.784 4.831 652 HB2 LEU 75 2HB LEU 75 1.242 -12.996 4.089 653 HB3 LEU 75 1HB LEU 75 1.872 -14.634 4.001 654 HG LEU 75 HG LEU 75 1.493 -12.995 6.541 655 HD11 LEU 75 1HD1 LEU 75 -0.207 -14.668 7.123 656 HD12 LEU 75 2HD1 LEU 75 0.021 -15.460 5.561 657 HD13 LEU 75 3HD1 LEU 75 -0.618 -13.817 5.634 658 HD21 LEU 75 3HD2 LEU 75 2.164 -15.052 7.758 659 HD22 LEU 75 1HD2 LEU 75 3.477 -14.382 6.787 660 HD23 LEU 75 2HD2 LEU 75 2.599 -15.806 6.221 661 HA PRO 76 HA PRO 76 5.276 -13.610 0.476 662 HB2 PRO 76 2HB PRO 76 4.285 -16.077 -0.460 663 HB3 PRO 76 1HB PRO 76 5.812 -15.877 0.422 664 HG2 PRO 76 2HG PRO 76 3.114 -16.652 1.505 665 HG3 PRO 76 1HG PRO 76 4.704 -17.380 1.840 666 HD2 PRO 76 2HD PRO 76 3.661 -15.708 3.606 667 HD3 PRO 76 1HD PRO 76 5.389 -15.567 3.203 668 H GLY 77 H GLY 77 4.446 -13.106 -1.563 669 HA2 GLY 77 2HA GLY 77 1.493 -12.854 -1.825 670 HA3 GLY 77 1HA GLY 77 2.636 -11.639 -2.370 671 H GLN 78 H GLN 78 4.282 -12.453 -3.998 672 HA GLN 78 HA GLN 78 4.871 -13.217 -6.022 673 HB2 GLN 78 2HB GLN 78 4.422 -15.530 -5.316 674 HB3 GLN 78 1HB GLN 78 2.714 -15.349 -5.718 675 HG2 GLN 78 2HG GLN 78 3.352 -14.999 -8.112 676 HG3 GLN 78 1HG GLN 78 5.040 -15.262 -7.675 677 HE21 GLN 78 1HE2 GLN 78 5.231 -17.027 -9.060 678 HE22 GLN 78 2HE2 GLN 78 4.450 -18.541 -8.768 679 H ALA 79 H ALA 79 1.377 -12.876 -5.582 680 HA ALA 79 HA ALA 79 0.772 -12.233 -8.316 681 HB1 ALA 79 3HB ALA 79 -1.482 -11.775 -7.435 682 HB2 ALA 79 1HB ALA 79 -0.864 -11.861 -5.782 683 HB3 ALA 79 2HB ALA 79 -0.857 -13.298 -6.805 684 H LEU 80 H LEU 80 2.856 -10.513 -7.148 685 HA LEU 80 HA LEU 80 1.990 -7.987 -6.308 686 HB2 LEU 80 2HB LEU 80 4.555 -8.502 -7.869 687 HB3 LEU 80 1HB LEU 80 4.266 -7.270 -6.655 688 HG LEU 80 HG LEU 80 4.635 -10.256 -6.176 689 HD11 LEU 80 1HD1 LEU 80 6.627 -9.573 -4.900 690 HD12 LEU 80 2HD1 LEU 80 6.337 -7.890 -5.340 691 HD13 LEU 80 3HD1 LEU 80 6.727 -9.074 -6.589 692 HD21 LEU 80 3HD2 LEU 80 3.988 -8.130 -4.110 693 HD22 LEU 80 1HD2 LEU 80 4.428 -9.804 -3.764 694 HD23 LEU 80 2HD2 LEU 80 2.929 -9.446 -4.617 695 H GLY 81 H GLY 81 1.990 -5.966 -7.526 696 HA2 GLY 81 2HA GLY 81 1.407 -4.647 -9.341 697 HA3 GLY 81 1HA GLY 81 1.475 -6.051 -10.396 698 H ASP 82 H ASP 82 -0.362 -6.860 -7.714 699 HA ASP 82 HA ASP 82 -2.902 -6.627 -9.135 700 HB2 ASP 82 2HB ASP 82 -2.220 -8.721 -7.948 701 HB3 ASP 82 1HB ASP 82 -2.241 -7.861 -6.417 702 H TYR 83 H TYR 83 -4.875 -5.924 -7.685 703 HA TYR 83 HA TYR 83 -4.251 -3.246 -6.681 704 HB2 TYR 83 2HB TYR 83 -6.823 -4.581 -7.578 705 HB3 TYR 83 1HB TYR 83 -6.829 -3.020 -6.756 706 HD1 TYR 83 HD1 TYR 83 -5.907 -4.767 -9.897 707 HD2 TYR 83 HD2 TYR 83 -5.934 -1.008 -7.848 708 HE1 TYR 83 HE1 TYR 83 -5.404 -3.604 -12.013 709 HE2 TYR 83 HE2 TYR 83 -5.441 0.142 -9.953 710 HH TYR 83 HH TYR 83 -5.666 -1.368 -12.997 711 H VAL 84 H VAL 84 -4.395 -2.637 -4.693 712 HA VAL 84 HA VAL 84 -5.378 -4.391 -2.540 713 HB VAL 84 HB VAL 84 -4.098 -3.039 -0.991 714 HG11 VAL 84 1HG1 VAL 84 -2.378 -3.486 -3.454 715 HG12 VAL 84 2HG1 VAL 84 -2.763 -4.683 -2.218 716 HG13 VAL 84 3HG1 VAL 84 -1.787 -3.278 -1.801 717 HG21 VAL 84 3HG2 VAL 84 -4.533 -0.791 -1.913 718 HG22 VAL 84 1HG2 VAL 84 -3.442 -1.119 -3.262 719 HG23 VAL 84 2HG2 VAL 84 -2.812 -1.025 -1.614 720 H GLU 85 H GLU 85 -6.742 -3.434 -0.926 721 HA GLU 85 HA GLU 85 -8.358 -1.090 -1.749 722 HB2 GLU 85 2HB GLU 85 -8.987 -3.252 0.315 723 HB3 GLU 85 1HB GLU 85 -10.074 -1.967 -0.216 724 HG2 GLU 85 2HG GLU 85 -10.275 -2.939 -2.429 725 HG3 GLU 85 1HG GLU 85 -8.992 -4.104 -2.080 726 H ILE 86 H ILE 86 -7.466 0.688 -0.812 727 HA ILE 86 HA ILE 86 -6.327 0.518 1.896 728 HB ILE 86 HB ILE 86 -6.270 2.976 0.085 729 HG12 ILE 86 2HG1 ILE 86 -4.068 0.868 0.349 730 HG13 ILE 86 1HG1 ILE 86 -5.125 1.020 -1.048 731 HG21 ILE 86 1HG2 ILE 86 -5.871 3.376 2.480 732 HG22 ILE 86 2HG2 ILE 86 -4.383 3.619 1.565 733 HG23 ILE 86 3HG2 ILE 86 -4.611 2.137 2.494 734 HD11 ILE 86 3HD1 ILE 86 -4.239 3.273 -1.463 735 HD12 ILE 86 1HD1 ILE 86 -2.987 2.029 -1.494 736 HD13 ILE 86 2HD1 ILE 86 -3.144 3.083 -0.088 737 H VAL 87 H VAL 87 -8.061 0.460 3.188 738 HA VAL 87 HA VAL 87 -10.432 2.047 2.879 739 HB VAL 87 HB VAL 87 -9.439 0.405 5.262 740 HG11 VAL 87 1HG1 VAL 87 -11.215 1.995 5.910 741 HG12 VAL 87 2HG1 VAL 87 -11.785 0.327 5.990 742 HG13 VAL 87 3HG1 VAL 87 -12.258 1.356 4.636 743 HG21 VAL 87 3HG2 VAL 87 -10.856 -1.418 4.392 744 HG22 VAL 87 1HG2 VAL 87 -9.611 -0.969 3.223 745 HG23 VAL 87 2HG2 VAL 87 -11.278 -0.436 2.987 746 H LEU 88 H LEU 88 -10.927 3.971 3.855 747 HA LEU 88 HA LEU 88 -8.902 5.660 4.881 748 HB2 LEU 88 2HB LEU 88 -11.064 6.280 3.608 749 HB3 LEU 88 1HB LEU 88 -11.910 6.083 5.126 750 HG LEU 88 HG LEU 88 -11.383 8.479 4.474 751 HD11 LEU 88 1HD1 LEU 88 -10.723 9.269 6.692 752 HD12 LEU 88 2HD1 LEU 88 -10.196 7.645 7.138 753 HD13 LEU 88 3HD1 LEU 88 -11.900 7.958 6.814 754 HD21 LEU 88 3HD2 LEU 88 -9.175 8.116 3.484 755 HD22 LEU 88 1HD2 LEU 88 -8.510 7.698 5.064 756 HD23 LEU 88 2HD2 LEU 88 -9.100 9.334 4.755 757 H GLU 89 H GLU 89 -7.949 4.835 6.676 758 HA GLU 89 HA GLU 89 -9.216 3.662 8.920 759 HB2 GLU 89 2HB GLU 89 -6.870 3.253 8.373 760 HB3 GLU 89 1HB GLU 89 -6.481 4.955 8.590 761 HG2 GLU 89 2HG GLU 89 -5.671 3.713 10.496 762 HG3 GLU 89 1HG GLU 89 -7.004 4.739 11.017 763 H HIS 90 H HIS 90 -9.716 4.477 10.906 764 HA HIS 90 HA HIS 90 -10.755 5.831 12.337 765 HB2 HIS 90 2HB HIS 90 -8.720 7.905 11.391 766 HB3 HIS 90 1HB HIS 90 -9.767 8.097 12.797 767 HD1 HIS 90 HD1 HIS 90 -6.452 7.627 12.401 768 HD2 HIS 90 HD2 HIS 90 -9.283 5.256 14.307 769 HE1 HIS 90 HE1 HIS 90 -5.175 6.260 14.075 770 HE2 HIS 90 HE2 HIS 90 -6.906 4.839 15.216 771 H HIS 91 H HIS 91 -12.419 5.414 10.629 772 HA HIS 91 HA HIS 91 -13.349 7.559 9.004 773 HB2 HIS 91 2HB HIS 91 -15.445 6.245 8.750 774 HB3 HIS 91 1HB HIS 91 -14.010 5.264 8.472 775 HD1 HIS 91 HD1 HIS 91 -16.741 5.802 11.025 776 HD2 HIS 91 HD2 HIS 91 -13.778 3.037 10.131 777 HE1 HIS 91 HE1 HIS 91 -17.185 3.836 12.509 778 HE2 HIS 91 HE2 HIS 91 -15.292 2.253 12.067 Start of MODEL 7 1 H1 MET 1 1H MET 1 -14.817 6.029 2.194 2 H2 MET 1 2H MET 1 -15.187 5.668 0.586 3 H3 MET 1 3H MET 1 -15.356 7.249 1.157 4 HA MET 1 HA MET 1 -13.398 6.990 -0.200 5 HB2 MET 1 2HB MET 1 -12.899 7.541 2.748 6 HB3 MET 1 1HB MET 1 -11.743 7.919 1.473 7 HG2 MET 1 2HG MET 1 -14.523 9.076 1.731 8 HG3 MET 1 1HG MET 1 -13.016 9.895 2.141 9 HE1 MET 1 3HE MET 1 -11.338 10.349 -1.378 10 HE2 MET 1 1HE MET 1 -11.054 9.022 -0.252 11 HE3 MET 1 2HE MET 1 -11.207 10.676 0.349 12 H ARG 2 H ARG 2 -13.018 4.943 -0.949 13 HA ARG 2 HA ARG 2 -10.865 3.458 0.429 14 HB2 ARG 2 2HB ARG 2 -13.222 2.256 -1.102 15 HB3 ARG 2 1HB ARG 2 -11.802 1.346 -0.596 16 HG2 ARG 2 2HG ARG 2 -12.361 1.651 1.743 17 HG3 ARG 2 1HG ARG 2 -13.687 2.740 1.329 18 HD2 ARG 2 2HD ARG 2 -14.553 0.530 1.902 19 HD3 ARG 2 1HD ARG 2 -14.864 0.879 0.201 20 HE ARG 2 HE ARG 2 -12.450 -0.554 0.407 21 HH11 ARG 2 1HH1 ARG 2 -15.914 -1.110 0.813 22 HH12 ARG 2 2HH1 ARG 2 -15.804 -2.794 0.421 23 HH21 ARG 2 1HH2 ARG 2 -12.343 -2.777 -0.112 24 HH22 ARG 2 2HH2 ARG 2 -13.791 -3.731 -0.099 25 H ILE 3 H ILE 3 -9.138 3.609 -0.809 26 HA ILE 3 HA ILE 3 -9.284 4.321 -3.662 27 HB ILE 3 HB ILE 3 -6.921 4.405 -1.706 28 HG12 ILE 3 2HG1 ILE 3 -8.743 6.657 -2.676 29 HG13 ILE 3 1HG1 ILE 3 -8.639 6.029 -1.038 30 HG21 ILE 3 1HG2 ILE 3 -7.108 5.558 -4.514 31 HG22 ILE 3 2HG2 ILE 3 -6.142 4.164 -4.026 32 HG23 ILE 3 3HG2 ILE 3 -5.754 5.767 -3.402 33 HD11 ILE 3 3HD1 ILE 3 -7.520 8.154 -1.218 34 HD12 ILE 3 1HD1 ILE 3 -6.474 7.539 -2.498 35 HD13 ILE 3 2HD1 ILE 3 -6.349 6.886 -0.862 36 H LYS 4 H LYS 4 -7.957 3.131 -5.182 37 HA LYS 4 HA LYS 4 -7.050 0.432 -4.323 38 HB2 LYS 4 2HB LYS 4 -7.439 -0.284 -6.678 39 HB3 LYS 4 1HB LYS 4 -8.911 0.264 -5.890 40 HG2 LYS 4 2HG LYS 4 -8.585 2.495 -7.056 41 HG3 LYS 4 1HG LYS 4 -7.292 1.742 -7.986 42 HD2 LYS 4 2HD LYS 4 -10.204 0.873 -7.950 43 HD3 LYS 4 1HD LYS 4 -9.415 1.762 -9.247 44 HE2 LYS 4 2HE LYS 4 -7.962 -0.161 -9.701 45 HE3 LYS 4 1HE LYS 4 -8.681 -1.044 -8.350 46 HZ1 LYS 4 3HZ LYS 4 -9.654 -1.730 -10.437 47 HZ2 LYS 4 1HZ LYS 4 -10.116 -0.144 -10.789 48 HZ3 LYS 4 2HZ LYS 4 -10.816 -0.960 -9.490 49 H GLY 5 H GLY 5 -4.996 -0.202 -4.894 50 HA2 GLY 5 2HA GLY 5 -3.231 1.709 -6.318 51 HA3 GLY 5 1HA GLY 5 -2.819 1.163 -4.689 52 H VAL 6 H VAL 6 -1.120 0.720 -6.842 53 HA VAL 6 HA VAL 6 -1.405 -2.128 -7.534 54 HB VAL 6 HB VAL 6 0.514 -0.004 -8.612 55 HG11 VAL 6 1HG1 VAL 6 1.566 -2.221 -8.723 56 HG12 VAL 6 2HG1 VAL 6 1.134 -1.669 -10.342 57 HG13 VAL 6 3HG1 VAL 6 0.142 -2.882 -9.528 58 HG21 VAL 6 3HG2 VAL 6 -1.822 0.382 -9.283 59 HG22 VAL 6 1HG2 VAL 6 -1.941 -1.272 -9.887 60 HG23 VAL 6 2HG2 VAL 6 -0.855 -0.122 -10.671 61 H VAL 7 H VAL 7 -0.209 -3.635 -6.574 62 HA VAL 7 HA VAL 7 1.597 -3.187 -4.427 63 HB VAL 7 HB VAL 7 1.344 -5.737 -6.115 64 HG11 VAL 7 1HG1 VAL 7 2.245 -5.396 -3.231 65 HG12 VAL 7 2HG1 VAL 7 3.287 -5.734 -4.613 66 HG13 VAL 7 3HG1 VAL 7 2.096 -6.927 -4.095 67 HG21 VAL 7 3HG2 VAL 7 -0.904 -5.080 -5.356 68 HG22 VAL 7 1HG2 VAL 7 -0.337 -5.016 -3.685 69 HG23 VAL 7 2HG2 VAL 7 -0.368 -6.554 -4.549 70 H LEU 8 H LEU 8 3.324 -1.865 -5.109 71 HA LEU 8 HA LEU 8 4.667 -2.178 -7.605 72 HB2 LEU 8 2HB LEU 8 5.609 -0.700 -5.116 73 HB3 LEU 8 1HB LEU 8 6.330 -0.560 -6.713 74 HG LEU 8 HG LEU 8 3.560 0.384 -5.886 75 HD11 LEU 8 1HD1 LEU 8 4.451 2.632 -6.398 76 HD12 LEU 8 2HD1 LEU 8 6.040 1.934 -6.696 77 HD13 LEU 8 3HD1 LEU 8 5.320 1.842 -5.086 78 HD21 LEU 8 3HD2 LEU 8 3.313 1.284 -8.169 79 HD22 LEU 8 1HD2 LEU 8 3.415 -0.476 -8.164 80 HD23 LEU 8 2HD2 LEU 8 4.813 0.487 -8.652 81 H SER 9 H SER 9 5.751 -2.839 -4.257 82 HA SER 9 HA SER 9 7.370 -5.094 -5.104 83 HB2 SER 9 2HB SER 9 8.809 -3.072 -5.590 84 HB3 SER 9 1HB SER 9 8.751 -2.661 -3.876 85 HG SER 9 HG SER 9 9.605 -5.209 -4.731 86 H TYR 10 H TYR 10 8.098 -6.388 -3.338 87 HA TYR 10 HA TYR 10 6.995 -5.779 -0.676 88 HB2 TYR 10 2HB TYR 10 8.447 -8.289 -1.655 89 HB3 TYR 10 1HB TYR 10 7.719 -8.082 -0.066 90 HD1 TYR 10 HD2 TYR 10 5.053 -7.152 -0.406 91 HD2 TYR 10 HD1 TYR 10 7.229 -9.782 -2.988 92 HE1 TYR 10 HE2 TYR 10 2.937 -8.099 -1.235 93 HE2 TYR 10 HE1 TYR 10 5.113 -10.722 -3.809 94 HH TYR 10 HH TYR 10 2.072 -9.293 -3.162 95 H ARG 11 H ARG 11 8.278 -5.223 0.995 96 HA ARG 11 HA ARG 11 11.226 -5.435 0.774 97 HB2 ARG 11 2HB ARG 11 10.622 -3.070 0.456 98 HB3 ARG 11 1HB ARG 11 9.592 -3.097 1.884 99 HG2 ARG 11 2HG ARG 11 11.627 -3.499 3.293 100 HG3 ARG 11 1HG ARG 11 12.625 -3.352 1.846 101 HD2 ARG 11 2HD ARG 11 11.860 -1.026 1.552 102 HD3 ARG 11 1HD ARG 11 10.825 -1.178 2.973 103 HE ARG 11 HE ARG 11 13.000 -1.634 4.215 104 HH11 ARG 11 1HH1 ARG 11 12.867 0.507 1.418 105 HH12 ARG 11 2HH1 ARG 11 14.234 1.446 1.933 106 HH21 ARG 11 1HH2 ARG 11 14.793 -0.403 4.863 107 HH22 ARG 11 2HH2 ARG 11 15.320 0.931 3.877 108 H ARG 12 H ARG 12 11.661 -7.065 2.183 109 HA ARG 12 HA ARG 12 10.042 -7.572 4.521 110 HB2 ARG 12 2HB ARG 12 12.623 -8.858 3.529 111 HB3 ARG 12 1HB ARG 12 11.774 -9.374 4.987 112 HG2 ARG 12 2HG ARG 12 9.780 -9.936 3.655 113 HG3 ARG 12 1HG ARG 12 10.600 -9.400 2.185 114 HD2 ARG 12 2HD ARG 12 10.662 -11.831 2.353 115 HD3 ARG 12 1HD ARG 12 12.295 -11.173 2.495 116 HE ARG 12 HE ARG 12 11.250 -11.475 5.078 117 HH11 ARG 12 1HH1 ARG 12 12.271 -13.537 2.407 118 HH12 ARG 12 2HH1 ARG 12 12.703 -14.860 3.444 119 HH21 ARG 12 1HH2 ARG 12 11.827 -13.225 6.412 120 HH22 ARG 12 2HH2 ARG 12 12.452 -14.681 5.703 121 H SER 13 H SER 13 10.508 -7.182 6.629 122 HA SER 13 HA SER 13 12.382 -5.015 7.168 123 HB2 SER 13 2HB SER 13 10.271 -6.356 8.899 124 HB3 SER 13 1HB SER 13 11.217 -4.952 9.381 125 HG SER 13 HG SER 13 8.961 -4.869 8.196 126 H LYS 14 H LYS 14 14.227 -5.222 8.288 127 HA LYS 14 HA LYS 14 15.528 -7.725 8.476 128 HB2 LYS 14 2HB LYS 14 17.437 -6.425 9.373 129 HB3 LYS 14 1HB LYS 14 16.733 -5.668 7.950 130 HG2 LYS 14 2HG LYS 14 15.474 -4.106 9.495 131 HG3 LYS 14 1HG LYS 14 16.396 -4.781 10.837 132 HD2 LYS 14 2HD LYS 14 17.514 -3.269 8.442 133 HD3 LYS 14 1HD LYS 14 17.396 -2.675 10.097 134 HE2 LYS 14 2HE LYS 14 19.135 -4.991 9.180 135 HE3 LYS 14 1HE LYS 14 19.697 -3.362 9.538 136 HZ1 LYS 14 3HZ LYS 14 20.063 -4.931 11.365 137 HZ2 LYS 14 1HZ LYS 14 18.395 -5.160 11.513 138 HZ3 LYS 14 2HZ LYS 14 19.070 -3.643 11.820 139 H GLU 15 H GLU 15 13.871 -5.783 10.883 140 HA GLU 15 HA GLU 15 14.591 -7.620 13.077 141 HB2 GLU 15 2HB GLU 15 14.760 -5.182 13.520 142 HB3 GLU 15 1HB GLU 15 13.061 -4.975 13.109 143 HG2 GLU 15 2HG GLU 15 12.465 -6.465 15.033 144 HG3 GLU 15 1HG GLU 15 14.173 -6.531 15.466 145 H ASN 16 H ASN 16 11.639 -6.011 11.802 146 HA ASN 16 HA ASN 16 9.864 -7.901 13.064 147 HB2 ASN 16 2HB ASN 16 9.232 -5.734 11.027 148 HB3 ASN 16 1HB ASN 16 8.049 -6.627 11.969 149 HD21 ASN 16 1HD2 ASN 16 9.723 -6.469 14.452 150 HD22 ASN 16 2HD2 ASN 16 9.555 -4.839 14.981 151 H GLN 17 H GLN 17 10.367 -9.916 12.198 152 HA GLN 17 HA GLN 17 10.813 -10.545 9.495 153 HB2 GLN 17 2HB GLN 17 9.859 -12.393 11.718 154 HB3 GLN 17 1HB GLN 17 10.566 -12.904 10.187 155 HG2 GLN 17 2HG GLN 17 12.690 -11.804 10.798 156 HG3 GLN 17 1HG GLN 17 11.993 -11.319 12.343 157 HE21 GLN 17 1HE2 GLN 17 13.206 -13.997 10.474 158 HE22 GLN 17 2HE2 GLN 17 13.277 -15.132 11.769 159 H HIS 18 H HIS 18 7.819 -10.140 11.224 160 HA HIS 18 HA HIS 18 6.257 -11.252 8.965 161 HB2 HIS 18 2HB HIS 18 5.460 -10.923 11.889 162 HB3 HIS 18 1HB HIS 18 4.335 -11.366 10.603 163 HD1 HIS 18 HD1 HIS 18 5.300 -13.565 9.139 164 HD2 HIS 18 HD2 HIS 18 6.473 -13.155 13.108 165 HE1 HIS 18 HE1 HIS 18 6.079 -15.836 9.852 166 HE2 HIS 18 HE2 HIS 18 6.923 -15.524 12.189 167 H ASN 19 H ASN 19 6.445 -8.443 11.204 168 HA ASN 19 HA ASN 19 4.515 -6.941 9.644 169 HB2 ASN 19 2HB ASN 19 4.768 -6.518 12.081 170 HB3 ASN 19 1HB ASN 19 6.417 -5.964 11.823 171 HD21 ASN 19 1HD2 ASN 19 6.107 -3.883 12.544 172 HD22 ASN 19 2HD2 ASN 19 5.080 -2.730 11.778 173 H ASN 20 H ASN 20 5.602 -7.380 7.624 174 HA ASN 20 HA ASN 20 8.172 -6.094 7.077 175 HB2 ASN 20 2HB ASN 20 6.420 -7.781 5.227 176 HB3 ASN 20 1HB ASN 20 8.050 -7.215 4.872 177 HD21 ASN 20 1HD2 ASN 20 6.186 -9.652 6.415 178 HD22 ASN 20 2HD2 ASN 20 7.503 -10.591 7.009 179 H VAL 21 H VAL 21 8.365 -4.744 5.194 180 HA VAL 21 HA VAL 21 6.247 -2.742 4.999 181 HB VAL 21 HB VAL 21 9.060 -2.797 3.780 182 HG11 VAL 21 1HG1 VAL 21 7.581 -1.286 2.552 183 HG12 VAL 21 2HG1 VAL 21 8.787 -0.364 3.453 184 HG13 VAL 21 3HG1 VAL 21 7.130 -0.470 4.051 185 HG21 VAL 21 3HG2 VAL 21 9.764 -1.304 5.606 186 HG22 VAL 21 1HG2 VAL 21 9.165 -2.836 6.248 187 HG23 VAL 21 2HG2 VAL 21 8.153 -1.393 6.323 188 H MET 22 H MET 22 5.231 -2.244 3.022 189 HA MET 22 HA MET 22 5.721 -3.962 0.669 190 HB2 MET 22 2HB MET 22 3.868 -4.922 2.046 191 HB3 MET 22 1HB MET 22 3.003 -3.400 1.942 192 HG2 MET 22 2HG MET 22 2.626 -3.713 -0.425 193 HG3 MET 22 1HG MET 22 3.656 -5.154 -0.442 194 HE1 MET 22 3HE MET 22 -0.211 -6.368 -0.785 195 HE2 MET 22 1HE MET 22 1.337 -6.369 -1.629 196 HE3 MET 22 2HE MET 22 0.469 -4.853 -1.383 197 H ILE 23 H ILE 23 6.285 -2.584 -0.825 198 HA ILE 23 HA ILE 23 5.657 0.227 -0.776 199 HB ILE 23 HB ILE 23 7.107 -1.333 -2.968 200 HG12 ILE 23 2HG1 ILE 23 8.278 -1.758 -0.850 201 HG13 ILE 23 1HG1 ILE 23 9.246 -0.680 -1.842 202 HG21 ILE 23 1HG2 ILE 23 7.189 1.627 -2.269 203 HG22 ILE 23 2HG2 ILE 23 6.390 0.910 -3.670 204 HG23 ILE 23 3HG2 ILE 23 8.148 0.842 -3.527 205 HD11 ILE 23 3HD1 ILE 23 8.494 1.224 -0.466 206 HD12 ILE 23 1HD1 ILE 23 9.329 -0.015 0.470 207 HD13 ILE 23 2HD1 ILE 23 7.574 0.105 0.543 208 H ILE 24 H ILE 24 3.892 1.045 -1.650 209 HA ILE 24 HA ILE 24 2.437 -0.291 -3.871 210 HB ILE 24 HB ILE 24 1.224 0.929 -1.327 211 HG12 ILE 24 2HG1 ILE 24 1.119 -1.986 -2.227 212 HG13 ILE 24 1HG1 ILE 24 2.234 -1.364 -1.017 213 HG21 ILE 24 1HG2 ILE 24 -0.986 0.265 -2.173 214 HG22 ILE 24 2HG2 ILE 24 -0.259 -0.322 -3.667 215 HG23 ILE 24 3HG2 ILE 24 -0.209 1.400 -3.281 216 HD11 ILE 24 3HD1 ILE 24 0.331 -0.752 0.405 217 HD12 ILE 24 1HD1 ILE 24 0.384 -2.475 0.035 218 HD13 ILE 24 2HD1 ILE 24 -0.772 -1.435 -0.795 219 H LYS 25 H LYS 25 1.422 1.250 -5.316 220 HA LYS 25 HA LYS 25 1.498 4.094 -4.479 221 HB2 LYS 25 2HB LYS 25 3.099 3.822 -6.365 222 HB3 LYS 25 1HB LYS 25 1.822 3.121 -7.361 223 HG2 LYS 25 2HG LYS 25 0.532 5.255 -7.129 224 HG3 LYS 25 1HG LYS 25 1.882 5.943 -6.230 225 HD2 LYS 25 2HD LYS 25 3.318 5.778 -8.216 226 HD3 LYS 25 1HD LYS 25 2.013 4.989 -9.114 227 HE2 LYS 25 2HE LYS 25 0.621 7.016 -8.868 228 HE3 LYS 25 1HE LYS 25 1.930 7.805 -7.983 229 HZ1 LYS 25 3HZ LYS 25 2.048 6.872 -10.795 230 HZ2 LYS 25 1HZ LYS 25 3.315 7.611 -9.954 231 HZ3 LYS 25 2HZ LYS 25 1.901 8.475 -10.282 232 HA PRO 26 HA PRO 26 -2.969 3.482 -5.150 233 HB2 PRO 26 2HB PRO 26 -3.265 6.325 -4.383 234 HB3 PRO 26 1HB PRO 26 -3.834 4.879 -3.530 235 HG2 PRO 26 2HG PRO 26 -1.824 6.448 -2.586 236 HG3 PRO 26 1HG PRO 26 -1.933 4.709 -2.248 237 HD2 PRO 26 2HD PRO 26 -0.217 6.140 -4.258 238 HD3 PRO 26 1HD PRO 26 0.185 4.768 -3.195 239 H LEU 27 H LEU 27 -4.206 3.910 -6.949 240 HA LEU 27 HA LEU 27 -3.070 5.189 -9.235 241 HB2 LEU 27 2HB LEU 27 -5.899 4.170 -8.753 242 HB3 LEU 27 1HB LEU 27 -5.249 4.617 -10.324 243 HG LEU 27 HG LEU 27 -4.280 2.306 -8.594 244 HD11 LEU 27 1HD1 LEU 27 -5.229 0.860 -10.313 245 HD12 LEU 27 2HD1 LEU 27 -5.842 2.261 -11.190 246 HD13 LEU 27 3HD1 LEU 27 -6.468 1.876 -9.586 247 HD21 LEU 27 3HD2 LEU 27 -3.328 3.174 -11.346 248 HD22 LEU 27 1HD2 LEU 27 -2.876 1.673 -10.532 249 HD23 LEU 27 2HD2 LEU 27 -2.402 3.221 -9.842 250 H ASP 28 H ASP 28 -5.366 6.136 -6.800 251 HA ASP 28 HA ASP 28 -6.355 8.530 -8.022 252 HB2 ASP 28 2HB ASP 28 -7.630 7.299 -6.293 253 HB3 ASP 28 1HB ASP 28 -6.372 7.611 -5.105 254 H VAL 29 H VAL 29 -3.457 7.718 -6.376 255 HA VAL 29 HA VAL 29 -2.800 10.521 -5.675 256 HB VAL 29 HB VAL 29 -1.827 7.867 -4.540 257 HG11 VAL 29 1HG1 VAL 29 0.087 9.360 -4.606 258 HG12 VAL 29 2HG1 VAL 29 -0.459 9.149 -2.944 259 HG13 VAL 29 3HG1 VAL 29 -0.836 10.634 -3.811 260 HG21 VAL 29 3HG2 VAL 29 -2.843 8.664 -2.434 261 HG22 VAL 29 1HG2 VAL 29 -4.034 8.522 -3.728 262 HG23 VAL 29 2HG2 VAL 29 -3.422 10.111 -3.258 263 H ASN 30 H ASN 30 -1.338 11.459 -6.948 264 HA ASN 30 HA ASN 30 0.957 9.940 -8.019 265 HB2 ASN 30 2HB ASN 30 -0.812 11.870 -9.587 266 HB3 ASN 30 1HB ASN 30 0.799 11.408 -10.122 267 HD21 ASN 30 1HD2 ASN 30 -2.435 10.207 -9.465 268 HD22 ASN 30 2HD2 ASN 30 -2.303 8.775 -10.416 269 H SER 31 H SER 31 0.160 12.094 -5.836 270 HA SER 31 HA SER 31 2.590 13.736 -6.215 271 HB2 SER 31 2HB SER 31 -0.057 14.771 -5.104 272 HB3 SER 31 1HB SER 31 1.436 15.693 -5.274 273 HG SER 31 HG SER 31 -0.270 14.690 -7.282 274 H ARG 32 H ARG 32 3.282 14.768 -4.174 275 HA ARG 32 HA ARG 32 3.892 12.762 -2.258 276 HB2 ARG 32 2HB ARG 32 5.424 14.591 -2.996 277 HB3 ARG 32 1HB ARG 32 4.385 15.770 -2.208 278 HG2 ARG 32 2HG ARG 32 4.917 14.761 -0.010 279 HG3 ARG 32 1HG ARG 32 5.961 13.581 -0.810 280 HD2 ARG 32 2HD ARG 32 7.341 15.477 -1.700 281 HD3 ARG 32 1HD ARG 32 6.340 16.595 -0.767 282 HE ARG 32 HE ARG 32 7.144 15.075 1.197 283 HH11 ARG 32 1HH1 ARG 32 9.104 16.193 -1.520 284 HH12 ARG 32 2HH1 ARG 32 10.580 16.170 -0.608 285 HH21 ARG 32 1HH2 ARG 32 9.088 15.067 2.369 286 HH22 ARG 32 2HH2 ARG 32 10.567 15.536 1.589 287 H GLU 33 H GLU 33 1.872 15.699 -2.198 288 HA GLU 33 HA GLU 33 1.132 15.569 0.565 289 HB2 GLU 33 2HB GLU 33 -0.226 17.051 -1.730 290 HB3 GLU 33 1HB GLU 33 -0.512 17.337 -0.017 291 HG2 GLU 33 2HG GLU 33 1.704 18.218 0.301 292 HG3 GLU 33 1HG GLU 33 2.208 17.692 -1.303 293 H GLU 34 H GLU 34 -0.248 14.332 -2.428 294 HA GLU 34 HA GLU 34 -2.754 13.458 -1.385 295 HB2 GLU 34 2HB GLU 34 -1.213 12.392 -3.785 296 HB3 GLU 34 1HB GLU 34 -2.903 12.055 -3.425 297 HG2 GLU 34 2HG GLU 34 -3.388 14.498 -3.689 298 HG3 GLU 34 1HG GLU 34 -1.712 14.734 -4.191 299 H ALA 35 H ALA 35 0.465 12.043 -1.500 300 HA ALA 35 HA ALA 35 -0.311 9.440 -0.477 301 HB1 ALA 35 3HB ALA 35 2.442 10.711 -0.762 302 HB2 ALA 35 1HB ALA 35 1.647 9.683 -1.957 303 HB3 ALA 35 2HB ALA 35 2.123 9.014 -0.394 304 H SER 36 H SER 36 0.755 12.518 0.807 305 HA SER 36 HA SER 36 1.638 11.588 3.380 306 HB2 SER 36 2HB SER 36 2.577 13.633 2.281 307 HB3 SER 36 1HB SER 36 1.031 14.450 2.501 308 HG SER 36 HG SER 36 1.422 13.825 4.850 309 H LYS 37 H LYS 37 -1.419 12.651 2.050 310 HA LYS 37 HA LYS 37 -2.725 12.998 4.618 311 HB2 LYS 37 2HB LYS 37 -4.799 13.257 3.328 312 HB3 LYS 37 1HB LYS 37 -3.517 14.240 2.629 313 HG2 LYS 37 2HG LYS 37 -3.168 12.513 0.874 314 HG3 LYS 37 1HG LYS 37 -4.487 11.567 1.565 315 HD2 LYS 37 2HD LYS 37 -5.252 12.828 -0.403 316 HD3 LYS 37 1HD LYS 37 -6.078 13.389 1.053 317 HE2 LYS 37 2HE LYS 37 -4.598 15.341 1.160 318 HE3 LYS 37 1HE LYS 37 -3.697 14.758 -0.244 319 HZ1 LYS 37 3HZ LYS 37 -5.748 14.944 -1.547 320 HZ2 LYS 37 1HZ LYS 37 -5.270 16.432 -0.911 321 HZ3 LYS 37 2HZ LYS 37 -6.549 15.585 -0.207 322 H LEU 38 H LEU 38 -1.814 10.323 2.717 323 HA LEU 38 HA LEU 38 -3.876 8.531 3.743 324 HB2 LEU 38 2HB LEU 38 -1.548 8.011 1.871 325 HB3 LEU 38 1HB LEU 38 -2.712 6.793 2.369 326 HG LEU 38 HG LEU 38 -3.213 9.215 0.609 327 HD11 LEU 38 1HD1 LEU 38 -3.535 6.244 0.086 328 HD12 LEU 38 2HD1 LEU 38 -2.257 7.294 -0.536 329 HD13 LEU 38 3HD1 LEU 38 -3.924 7.544 -1.046 330 HD21 LEU 38 3HD2 LEU 38 -5.595 8.586 0.522 331 HD22 LEU 38 1HD2 LEU 38 -5.110 9.067 2.147 332 HD23 LEU 38 2HD2 LEU 38 -5.324 7.358 1.762 333 H ILE 39 H ILE 39 -1.146 9.776 5.082 334 HA ILE 39 HA ILE 39 -0.017 7.521 6.399 335 HB ILE 39 HB ILE 39 -0.176 10.411 7.405 336 HG12 ILE 39 2HG1 ILE 39 0.965 10.317 5.221 337 HG13 ILE 39 1HG1 ILE 39 2.132 10.680 6.486 338 HG21 ILE 39 1HG2 ILE 39 1.781 9.843 8.828 339 HG22 ILE 39 2HG2 ILE 39 1.680 8.164 8.293 340 HG23 ILE 39 3HG2 ILE 39 0.368 8.867 9.238 341 HD11 ILE 39 3HD1 ILE 39 2.890 8.341 6.425 342 HD12 ILE 39 1HD1 ILE 39 3.047 9.150 4.865 343 HD13 ILE 39 2HD1 ILE 39 1.727 8.015 5.136 344 H GLY 40 H GLY 40 -0.902 6.252 7.954 345 HA2 GLY 40 2HA GLY 40 -2.123 5.711 9.893 346 HA3 GLY 40 1HA GLY 40 -2.976 7.243 9.788 347 H ARG 41 H ARG 41 -2.915 5.647 6.786 348 HA ARG 41 HA ARG 41 -5.729 4.855 7.003 349 HB2 ARG 41 2HB ARG 41 -3.849 5.415 4.719 350 HB3 ARG 41 1HB ARG 41 -5.190 4.324 4.406 351 HG2 ARG 41 2HG ARG 41 -5.652 6.652 3.737 352 HG3 ARG 41 1HG ARG 41 -6.802 6.030 4.909 353 HD2 ARG 41 2HD ARG 41 -4.462 7.754 5.759 354 HD3 ARG 41 1HD ARG 41 -5.972 8.460 5.179 355 HE ARG 41 HE ARG 41 -6.382 6.570 7.303 356 HH11 ARG 41 1HH1 ARG 41 -5.535 9.930 6.650 357 HH12 ARG 41 2HH1 ARG 41 -6.069 10.485 8.203 358 HH21 ARG 41 1HH2 ARG 41 -7.038 7.319 9.349 359 HH22 ARG 41 2HH2 ARG 41 -6.921 9.004 9.730 360 H LEU 42 H LEU 42 -6.517 2.800 6.514 361 HA LEU 42 HA LEU 42 -4.689 0.589 7.141 362 HB2 LEU 42 2HB LEU 42 -6.792 0.838 8.466 363 HB3 LEU 42 1HB LEU 42 -7.733 0.687 6.990 364 HG LEU 42 HG LEU 42 -6.753 -1.648 6.700 365 HD11 LEU 42 1HD1 LEU 42 -5.770 -1.263 9.537 366 HD12 LEU 42 2HD1 LEU 42 -4.769 -1.419 8.092 367 HD13 LEU 42 3HD1 LEU 42 -5.757 -2.775 8.622 368 HD21 LEU 42 3HD2 LEU 42 -8.423 -1.207 9.189 369 HD22 LEU 42 1HD2 LEU 42 -8.273 -2.718 8.286 370 HD23 LEU 42 2HD2 LEU 42 -9.026 -1.314 7.534 371 H VAL 43 H VAL 43 -3.840 -0.439 5.424 372 HA VAL 43 HA VAL 43 -5.270 -0.538 2.853 373 HB VAL 43 HB VAL 43 -2.387 -1.409 3.385 374 HG11 VAL 43 1HG1 VAL 43 -3.850 -0.739 0.799 375 HG12 VAL 43 2HG1 VAL 43 -3.389 -2.352 1.347 376 HG13 VAL 43 3HG1 VAL 43 -2.145 -1.174 0.932 377 HG21 VAL 43 3HG2 VAL 43 -2.595 0.967 3.980 378 HG22 VAL 43 1HG2 VAL 43 -3.356 1.315 2.424 379 HG23 VAL 43 2HG2 VAL 43 -1.672 0.787 2.487 380 H LEU 44 H LEU 44 -6.381 -2.299 2.415 381 HA LEU 44 HA LEU 44 -5.878 -4.902 3.700 382 HB2 LEU 44 2HB LEU 44 -8.337 -3.881 2.200 383 HB3 LEU 44 1HB LEU 44 -8.215 -5.414 3.052 384 HG LEU 44 HG LEU 44 -8.130 -2.667 4.362 385 HD11 LEU 44 1HD1 LEU 44 -10.385 -4.702 4.340 386 HD12 LEU 44 2HD1 LEU 44 -10.359 -3.159 3.480 387 HD13 LEU 44 3HD1 LEU 44 -10.360 -3.183 5.242 388 HD21 LEU 44 3HD2 LEU 44 -6.808 -4.261 5.630 389 HD22 LEU 44 1HD2 LEU 44 -8.137 -5.423 5.628 390 HD23 LEU 44 2HD2 LEU 44 -8.295 -3.895 6.498 391 H TRP 45 H TRP 45 -5.027 -6.480 2.434 392 HA TRP 45 HA TRP 45 -5.681 -6.640 -0.413 393 HB2 TRP 45 2HB TRP 45 -3.555 -5.379 -0.397 394 HB3 TRP 45 1HB TRP 45 -2.799 -6.614 0.608 395 HD1 TRP 45 HD1 TRP 45 -4.344 -6.273 -2.951 396 HE1 TRP 45 HE1 TRP 45 -3.140 -7.924 -4.493 397 HE3 TRP 45 HE3 TRP 45 -1.373 -8.624 0.483 398 HZ2 TRP 45 HZ2 TRP 45 -1.236 -9.937 -4.312 399 HZ3 TRP 45 HZ3 TRP 45 0.130 -10.420 -0.301 400 HH2 TRP 45 HH2 TRP 45 0.193 -11.065 -2.660 401 H LYS 46 H LYS 46 -6.373 -8.642 -0.718 402 HA LYS 46 HA LYS 46 -5.829 -10.778 1.165 403 HB2 LYS 46 2HB LYS 46 -8.109 -10.397 0.206 404 HB3 LYS 46 1HB LYS 46 -7.488 -10.783 -1.394 405 HG2 LYS 46 2HG LYS 46 -7.096 -13.093 -0.764 406 HG3 LYS 46 1HG LYS 46 -7.450 -12.739 0.930 407 HD2 LYS 46 2HD LYS 46 -9.348 -13.888 -0.153 408 HD3 LYS 46 1HD LYS 46 -9.798 -12.263 0.367 409 HE2 LYS 46 2HE LYS 46 -10.735 -12.739 -1.842 410 HE3 LYS 46 1HE LYS 46 -9.530 -11.461 -1.977 411 HZ1 LYS 46 3HZ LYS 46 -9.319 -13.090 -3.751 412 HZ2 LYS 46 1HZ LYS 46 -9.101 -14.329 -2.623 413 HZ3 LYS 46 2HZ LYS 46 -7.944 -13.109 -2.770 414 H SER 47 H SER 47 -3.913 -11.752 0.977 415 HA SER 47 HA SER 47 -2.364 -12.166 -1.338 416 HB2 SER 47 2HB SER 47 -1.115 -13.799 0.092 417 HB3 SER 47 1HB SER 47 -1.420 -12.290 0.945 418 HG SER 47 HG SER 47 -2.915 -13.275 2.194 419 HA PRO 48 HA PRO 48 -4.295 -15.851 -3.244 420 HB2 PRO 48 2HB PRO 48 -2.047 -17.200 -4.142 421 HB3 PRO 48 1HB PRO 48 -2.712 -15.769 -4.950 422 HG2 PRO 48 2HG PRO 48 -0.438 -15.921 -2.997 423 HG3 PRO 48 1HG PRO 48 -0.531 -15.046 -4.543 424 HD2 PRO 48 2HD PRO 48 -0.893 -13.750 -2.222 425 HD3 PRO 48 1HD PRO 48 -1.870 -13.335 -3.650 426 H SER 49 H SER 49 -2.172 -15.972 -0.553 427 HA SER 49 HA SER 49 -2.414 -18.746 0.116 428 HB2 SER 49 2HB SER 49 -0.573 -17.290 0.957 429 HB3 SER 49 1HB SER 49 -1.740 -16.348 1.886 430 HG SER 49 HG SER 49 -2.011 -18.978 2.434 431 H GLY 50 H GLY 50 -4.639 -16.185 0.154 432 HA2 GLY 50 2HA GLY 50 -6.945 -16.481 0.532 433 HA3 GLY 50 1HA GLY 50 -6.603 -17.733 1.716 434 H LYS 51 H LYS 51 -4.462 -15.507 2.581 435 HA LYS 51 HA LYS 51 -6.087 -14.525 4.785 436 HB2 LYS 51 2HB LYS 51 -3.109 -14.271 4.154 437 HB3 LYS 51 1HB LYS 51 -3.856 -13.492 5.543 438 HG2 LYS 51 2HG LYS 51 -2.752 -15.470 6.296 439 HG3 LYS 51 1HG LYS 51 -4.486 -15.756 6.415 440 HD2 LYS 51 2HD LYS 51 -4.458 -17.151 4.434 441 HD3 LYS 51 1HD LYS 51 -2.780 -16.721 4.085 442 HE2 LYS 51 2HE LYS 51 -2.995 -18.989 5.060 443 HE3 LYS 51 1HE LYS 51 -2.027 -17.924 6.076 444 HZ1 LYS 51 3HZ LYS 51 -4.906 -18.474 6.526 445 HZ2 LYS 51 1HZ LYS 51 -3.856 -17.651 7.557 446 HZ3 LYS 51 2HZ LYS 51 -3.659 -19.310 7.299 447 H ILE 52 H ILE 52 -7.073 -12.578 4.747 448 HA ILE 52 HA ILE 52 -6.373 -10.490 2.847 449 HB ILE 52 HB ILE 52 -8.293 -10.349 5.224 450 HG12 ILE 52 2HG1 ILE 52 -8.925 -10.829 2.270 451 HG13 ILE 52 1HG1 ILE 52 -8.987 -12.053 3.531 452 HG21 ILE 52 1HG2 ILE 52 -7.516 -8.108 4.534 453 HG22 ILE 52 2HG2 ILE 52 -9.218 -8.324 4.125 454 HG23 ILE 52 3HG2 ILE 52 -7.989 -8.443 2.865 455 HD11 ILE 52 3HD1 ILE 52 -10.804 -10.829 4.626 456 HD12 ILE 52 1HD1 ILE 52 -11.198 -11.292 2.973 457 HD13 ILE 52 2HD1 ILE 52 -10.763 -9.623 3.336 458 H LEU 53 H LEU 53 -4.352 -9.829 3.231 459 HA LEU 53 HA LEU 53 -3.163 -9.512 5.818 460 HB2 LEU 53 2HB LEU 53 -2.175 -8.429 3.141 461 HB3 LEU 53 1HB LEU 53 -1.218 -8.664 4.593 462 HG LEU 53 HG LEU 53 -2.359 -10.827 2.791 463 HD11 LEU 53 1HD1 LEU 53 -0.007 -11.382 2.352 464 HD12 LEU 53 2HD1 LEU 53 0.514 -10.038 3.371 465 HD13 LEU 53 3HD1 LEU 53 -0.383 -9.725 1.883 466 HD21 LEU 53 3HD2 LEU 53 -0.836 -11.192 5.386 467 HD22 LEU 53 1HD2 LEU 53 -1.236 -12.474 4.240 468 HD23 LEU 53 2HD2 LEU 53 -2.522 -11.619 5.085 469 H LYS 54 H LYS 54 -3.267 -7.769 7.074 470 HA LYS 54 HA LYS 54 -4.416 -5.241 6.065 471 HB2 LYS 54 2HB LYS 54 -4.238 -6.259 8.937 472 HB3 LYS 54 1HB LYS 54 -5.089 -4.816 8.386 473 HG2 LYS 54 2HG LYS 54 -6.660 -6.240 7.088 474 HG3 LYS 54 1HG LYS 54 -5.803 -7.678 7.644 475 HD2 LYS 54 2HD LYS 54 -7.837 -7.352 8.967 476 HD3 LYS 54 1HD LYS 54 -6.415 -7.130 9.988 477 HE2 LYS 54 2HE LYS 54 -6.666 -4.665 9.755 478 HE3 LYS 54 1HE LYS 54 -8.112 -4.919 8.776 479 HZ1 LYS 54 3HZ LYS 54 -9.149 -6.010 10.665 480 HZ2 LYS 54 1HZ LYS 54 -8.678 -4.437 11.060 481 HZ3 LYS 54 2HZ LYS 54 -7.772 -5.757 11.607 482 H GLY 55 H GLY 55 -3.304 -3.353 6.348 483 HA2 GLY 55 2HA GLY 55 -0.799 -3.230 7.864 484 HA3 GLY 55 1HA GLY 55 -0.679 -3.040 6.116 485 H LYS 56 H LYS 56 0.253 -0.946 7.258 486 HA LYS 56 HA LYS 56 -1.776 1.133 6.953 487 HB2 LYS 56 2HB LYS 56 -1.950 0.589 9.327 488 HB3 LYS 56 1HB LYS 56 -0.214 0.764 9.544 489 HG2 LYS 56 2HG LYS 56 -0.297 3.126 9.347 490 HG3 LYS 56 1HG LYS 56 -1.896 3.108 8.600 491 HD2 LYS 56 2HD LYS 56 -1.295 2.380 11.499 492 HD3 LYS 56 1HD LYS 56 -1.995 3.905 10.942 493 HE2 LYS 56 2HE LYS 56 -3.935 2.653 10.017 494 HE3 LYS 56 1HE LYS 56 -3.245 1.153 10.644 495 HZ1 LYS 56 3HZ LYS 56 -3.424 2.103 12.883 496 HZ2 LYS 56 1HZ LYS 56 -4.925 1.989 12.114 497 HZ3 LYS 56 2HZ LYS 56 -4.153 3.484 12.239 498 H ILE 57 H ILE 57 -1.017 2.969 6.193 499 HA ILE 57 HA ILE 57 1.637 3.093 5.115 500 HB ILE 57 HB ILE 57 -0.589 5.176 5.090 501 HG12 ILE 57 2HG1 ILE 57 0.171 3.146 2.936 502 HG13 ILE 57 1HG1 ILE 57 -1.183 2.963 4.043 503 HG21 ILE 57 1HG2 ILE 57 0.608 6.204 3.180 504 HG22 ILE 57 2HG2 ILE 57 1.913 5.030 3.358 505 HG23 ILE 57 3HG2 ILE 57 1.610 6.208 4.635 506 HD11 ILE 57 3HD1 ILE 57 -2.240 4.939 3.087 507 HD12 ILE 57 1HD1 ILE 57 -1.924 3.697 1.877 508 HD13 ILE 57 2HD1 ILE 57 -0.888 5.120 1.964 509 H VAL 58 H VAL 58 3.218 3.434 6.503 510 HA VAL 58 HA VAL 58 2.980 5.224 8.820 511 HB VAL 58 HB VAL 58 5.133 4.257 9.565 512 HG11 VAL 58 1HG1 VAL 58 3.077 3.084 10.204 513 HG12 VAL 58 2HG1 VAL 58 4.387 1.927 9.965 514 HG13 VAL 58 3HG1 VAL 58 3.138 2.113 8.730 515 HG21 VAL 58 3HG2 VAL 58 6.240 2.420 8.307 516 HG22 VAL 58 1HG2 VAL 58 6.231 3.926 7.385 517 HG23 VAL 58 2HG2 VAL 58 5.096 2.638 6.981 518 H ARG 59 H ARG 59 4.215 5.297 5.608 519 HA ARG 59 HA ARG 59 5.388 7.912 5.912 520 HB2 ARG 59 2HB ARG 59 7.237 6.395 6.717 521 HB3 ARG 59 1HB ARG 59 7.228 5.584 5.159 522 HG2 ARG 59 2HG ARG 59 7.972 7.647 4.052 523 HG3 ARG 59 1HG ARG 59 7.902 8.515 5.586 524 HD2 ARG 59 2HD ARG 59 9.742 6.174 4.980 525 HD3 ARG 59 1HD ARG 59 10.209 7.878 4.980 526 HE ARG 59 HE ARG 59 9.033 6.842 7.441 527 HH11 ARG 59 1HH1 ARG 59 12.015 7.677 5.767 528 HH12 ARG 59 2HH1 ARG 59 12.941 7.753 7.231 529 HH21 ARG 59 1HH2 ARG 59 10.239 6.952 9.328 530 HH22 ARG 59 2HH2 ARG 59 11.929 7.340 9.260 531 H VAL 60 H VAL 60 5.982 8.838 3.801 532 HA VAL 60 HA VAL 60 4.669 7.570 1.478 533 HB VAL 60 HB VAL 60 4.778 9.695 0.355 534 HG11 VAL 60 1HG1 VAL 60 4.096 10.231 3.268 535 HG12 VAL 60 2HG1 VAL 60 3.017 9.545 2.053 536 HG13 VAL 60 3HG1 VAL 60 3.578 11.208 1.889 537 HG21 VAL 60 3HG2 VAL 60 7.072 10.374 0.898 538 HG22 VAL 60 1HG2 VAL 60 6.602 10.725 2.562 539 HG23 VAL 60 2HG2 VAL 60 5.952 11.696 1.238 540 H HIS 61 H HIS 61 5.920 7.838 -0.643 541 HA HIS 61 HA HIS 61 8.851 7.581 -0.330 542 HB2 HIS 61 2HB HIS 61 7.943 5.319 -0.743 543 HB3 HIS 61 1HB HIS 61 7.064 5.899 -2.157 544 HD1 HIS 61 HD1 HIS 61 10.681 5.598 -0.973 545 HD2 HIS 61 HD2 HIS 61 8.455 5.614 -4.485 546 HE1 HIS 61 HE1 HIS 61 12.321 5.142 -2.824 547 HE2 HIS 61 HE2 HIS 61 10.978 5.360 -4.935 548 H GLY 62 H GLY 62 9.429 9.530 -1.015 549 HA2 GLY 62 2HA GLY 62 10.009 11.209 -2.431 550 HA3 GLY 62 1HA GLY 62 9.587 10.133 -3.749 551 H THR 63 H THR 63 8.775 11.829 -4.950 552 HA THR 63 HA THR 63 6.228 13.075 -4.102 553 HB THR 63 HB THR 63 6.725 14.704 -5.992 554 HG1 THR 63 HG1 THR 63 8.208 13.865 -7.303 555 HG21 THR 63 3HG2 THR 63 8.438 15.982 -4.768 556 HG22 THR 63 1HG2 THR 63 8.856 14.549 -3.824 557 HG23 THR 63 2HG2 THR 63 7.266 15.293 -3.644 558 H LYS 64 H LYS 64 7.165 10.386 -5.626 559 HA LYS 64 HA LYS 64 5.783 10.413 -8.110 560 HB2 LYS 64 2HB LYS 64 6.485 8.014 -6.348 561 HB3 LYS 64 1HB LYS 64 5.991 7.936 -8.035 562 HG2 LYS 64 2HG LYS 64 8.557 9.108 -6.941 563 HG3 LYS 64 1HG LYS 64 8.375 7.649 -7.917 564 HD2 LYS 64 2HD LYS 64 7.585 9.044 -9.822 565 HD3 LYS 64 1HD LYS 64 7.808 10.492 -8.838 566 HE2 LYS 64 2HE LYS 64 10.258 9.849 -8.642 567 HE3 LYS 64 1HE LYS 64 9.947 8.602 -9.854 568 HZ1 LYS 64 3HZ LYS 64 9.138 10.406 -11.336 569 HZ2 LYS 64 1HZ LYS 64 10.774 10.544 -10.939 570 HZ3 LYS 64 2HZ LYS 64 9.639 11.537 -10.186 571 H GLY 65 H GLY 65 4.768 9.994 -4.828 572 HA2 GLY 65 2HA GLY 65 2.550 10.052 -4.047 573 HA3 GLY 65 1HA GLY 65 1.974 9.508 -5.618 574 H ALA 66 H ALA 66 4.631 7.670 -4.849 575 HA ALA 66 HA ALA 66 3.197 5.300 -4.229 576 HB1 ALA 66 3HB ALA 66 5.355 5.242 -5.429 577 HB2 ALA 66 1HB ALA 66 5.434 4.274 -3.956 578 HB3 ALA 66 2HB ALA 66 6.180 5.874 -4.003 579 H VAL 67 H VAL 67 2.596 4.526 -2.280 580 HA VAL 67 HA VAL 67 3.405 5.936 0.189 581 HB VAL 67 HB VAL 67 1.410 4.855 1.232 582 HG11 VAL 67 1HG1 VAL 67 -0.318 6.209 0.102 583 HG12 VAL 67 2HG1 VAL 67 0.751 6.428 -1.287 584 HG13 VAL 67 3HG1 VAL 67 1.191 7.108 0.280 585 HG21 VAL 67 3HG2 VAL 67 -0.276 3.686 -0.165 586 HG22 VAL 67 1HG2 VAL 67 1.262 2.819 -0.145 587 HG23 VAL 67 2HG2 VAL 67 0.809 3.777 -1.555 588 H ARG 68 H ARG 68 3.929 4.725 2.049 589 HA ARG 68 HA ARG 68 5.115 2.047 1.575 590 HB2 ARG 68 2HB ARG 68 6.799 3.763 2.093 591 HB3 ARG 68 1HB ARG 68 5.897 4.269 3.517 592 HG2 ARG 68 2HG ARG 68 6.277 1.952 4.468 593 HG3 ARG 68 1HG ARG 68 7.347 1.641 3.105 594 HD2 ARG 68 2HD ARG 68 7.723 3.825 5.173 595 HD3 ARG 68 1HD ARG 68 8.577 2.284 5.132 596 HE ARG 68 HE ARG 68 8.812 4.018 2.791 597 HH11 ARG 68 1HH1 ARG 68 10.336 2.789 5.728 598 HH12 ARG 68 2HH1 ARG 68 11.929 3.283 5.234 599 HH21 ARG 68 1HH2 ARG 68 10.882 4.670 2.191 600 HH22 ARG 68 2HH2 ARG 68 12.237 4.347 3.236 601 H ALA 69 H ALA 69 3.575 0.646 2.254 602 HA ALA 69 HA ALA 69 2.175 1.113 4.834 603 HB1 ALA 69 3HB ALA 69 1.292 -0.568 2.451 604 HB2 ALA 69 1HB ALA 69 0.668 1.027 2.885 605 HB3 ALA 69 2HB ALA 69 0.395 -0.346 3.955 606 H ARG 70 H ARG 70 3.013 -0.100 6.457 607 HA ARG 70 HA ARG 70 4.437 -2.604 5.880 608 HB2 ARG 70 2HB ARG 70 4.000 -1.329 8.615 609 HB3 ARG 70 1HB ARG 70 5.133 -2.609 8.206 610 HG2 ARG 70 2HG ARG 70 6.337 -0.929 6.734 611 HG3 ARG 70 1HG ARG 70 5.291 0.310 7.433 612 HD2 ARG 70 2HD ARG 70 7.349 -1.408 8.851 613 HD3 ARG 70 1HD ARG 70 7.331 0.349 8.689 614 HE ARG 70 HE ARG 70 5.033 -0.210 10.060 615 HH11 ARG 70 1HH1 ARG 70 8.436 -0.924 10.670 616 HH12 ARG 70 2HH1 ARG 70 8.246 -0.953 12.392 617 HH21 ARG 70 1HH2 ARG 70 4.785 -0.367 12.321 618 HH22 ARG 70 2HH2 ARG 70 6.177 -0.638 13.327 619 H PHE 71 H PHE 71 3.320 -4.443 5.840 620 HA PHE 71 HA PHE 71 0.669 -4.652 7.055 621 HB2 PHE 71 2HB PHE 71 2.187 -6.371 5.063 622 HB3 PHE 71 1HB PHE 71 0.684 -6.912 5.801 623 HD1 PHE 71 HD1 PHE 71 1.946 -3.768 4.116 624 HD2 PHE 71 HD2 PHE 71 -1.203 -6.628 4.482 625 HE1 PHE 71 HE1 PHE 71 0.656 -2.585 2.386 626 HE2 PHE 71 HE2 PHE 71 -2.481 -5.445 2.750 627 HZ PHE 71 HZ PHE 71 -1.553 -3.424 1.705 628 H GLU 72 H GLU 72 0.271 -5.727 8.854 629 HA GLU 72 HA GLU 72 2.244 -6.444 10.686 630 HB2 GLU 72 2HB GLU 72 0.332 -7.385 12.042 631 HB3 GLU 72 1HB GLU 72 0.070 -5.748 11.462 632 HG2 GLU 72 2HG GLU 72 -1.381 -6.601 9.662 633 HG3 GLU 72 1HG GLU 72 -1.100 -8.249 10.206 634 H LYS 73 H LYS 73 0.498 -8.459 8.389 635 HA LYS 73 HA LYS 73 1.685 -10.948 9.393 636 HB2 LYS 73 2HB LYS 73 -0.074 -10.574 6.937 637 HB3 LYS 73 1HB LYS 73 0.321 -12.092 7.732 638 HG2 LYS 73 2HG LYS 73 -1.432 -9.866 8.782 639 HG3 LYS 73 1HG LYS 73 -1.932 -11.491 8.313 640 HD2 LYS 73 2HD LYS 73 -0.634 -12.424 10.223 641 HD3 LYS 73 1HD LYS 73 -0.141 -10.790 10.674 642 HE2 LYS 73 2HE LYS 73 -2.545 -10.208 11.016 643 HE3 LYS 73 1HE LYS 73 -2.971 -11.887 10.688 644 HZ1 LYS 73 3HZ LYS 73 -1.586 -12.539 12.595 645 HZ2 LYS 73 1HZ LYS 73 -2.841 -11.500 13.053 646 HZ3 LYS 73 2HZ LYS 73 -1.264 -10.913 12.916 647 H GLY 74 H GLY 74 1.824 -8.742 6.635 648 HA2 GLY 74 2HA GLY 74 3.325 -8.370 4.954 649 HA3 GLY 74 1HA GLY 74 4.518 -8.828 6.153 650 H LEU 75 H LEU 75 2.049 -10.887 4.707 651 HA LEU 75 HA LEU 75 3.968 -12.951 4.181 652 HB2 LEU 75 2HB LEU 75 0.978 -12.780 3.706 653 HB3 LEU 75 1HB LEU 75 1.924 -14.200 3.281 654 HG LEU 75 HG LEU 75 1.578 -13.078 6.091 655 HD11 LEU 75 1HD1 LEU 75 -0.461 -14.158 5.261 656 HD12 LEU 75 2HD1 LEU 75 0.280 -15.098 6.552 657 HD13 LEU 75 3HD1 LEU 75 0.449 -15.623 4.874 658 HD21 LEU 75 3HD2 LEU 75 3.134 -15.516 5.148 659 HD22 LEU 75 1HD2 LEU 75 2.814 -15.093 6.834 660 HD23 LEU 75 2HD2 LEU 75 3.806 -14.036 5.837 661 HA PRO 76 HA PRO 76 4.734 -11.723 -0.079 662 HB2 PRO 76 2HB PRO 76 6.195 -13.893 -0.884 663 HB3 PRO 76 1HB PRO 76 6.864 -12.672 0.216 664 HG2 PRO 76 2HG PRO 76 5.731 -15.372 0.871 665 HG3 PRO 76 1HG PRO 76 7.175 -14.575 1.528 666 HD2 PRO 76 2HD PRO 76 4.778 -14.625 2.848 667 HD3 PRO 76 1HD PRO 76 5.966 -13.315 3.045 668 H GLY 77 H GLY 77 3.093 -11.772 -1.464 669 HA2 GLY 77 2HA GLY 77 1.563 -14.229 -2.019 670 HA3 GLY 77 1HA GLY 77 1.091 -12.582 -2.427 671 H GLN 78 H GLN 78 4.031 -12.259 -3.325 672 HA GLN 78 HA GLN 78 5.301 -12.308 -5.178 673 HB2 GLN 78 2HB GLN 78 5.159 -14.794 -4.771 674 HB3 GLN 78 1HB GLN 78 3.813 -14.868 -5.903 675 HG2 GLN 78 2HG GLN 78 5.283 -14.155 -7.731 676 HG3 GLN 78 1HG GLN 78 6.632 -13.984 -6.608 677 HE21 GLN 78 1HE2 GLN 78 4.500 -16.265 -8.193 678 HE22 GLN 78 2HE2 GLN 78 5.495 -17.659 -7.934 679 H ALA 79 H ALA 79 2.486 -11.210 -5.082 680 HA ALA 79 HA ALA 79 1.517 -11.368 -7.849 681 HB1 ALA 79 3HB ALA 79 0.110 -10.477 -5.317 682 HB2 ALA 79 1HB ALA 79 -0.034 -12.056 -6.085 683 HB3 ALA 79 2HB ALA 79 -0.629 -10.618 -6.912 684 H LEU 80 H LEU 80 3.798 -9.640 -7.138 685 HA LEU 80 HA LEU 80 3.267 -6.922 -6.960 686 HB2 LEU 80 2HB LEU 80 5.400 -8.250 -8.678 687 HB3 LEU 80 1HB LEU 80 5.410 -6.565 -8.181 688 HG LEU 80 HG LEU 80 5.754 -8.998 -6.384 689 HD11 LEU 80 1HD1 LEU 80 7.700 -6.776 -7.083 690 HD12 LEU 80 2HD1 LEU 80 7.758 -8.442 -7.669 691 HD13 LEU 80 3HD1 LEU 80 7.995 -8.104 -5.957 692 HD21 LEU 80 3HD2 LEU 80 5.567 -6.080 -5.580 693 HD22 LEU 80 1HD2 LEU 80 6.077 -7.397 -4.520 694 HD23 LEU 80 2HD2 LEU 80 4.439 -7.373 -5.164 695 H GLY 81 H GLY 81 1.792 -5.807 -8.104 696 HA2 GLY 81 2HA GLY 81 1.430 -4.708 -10.340 697 HA3 GLY 81 1HA GLY 81 1.388 -6.335 -11.015 698 H ASP 82 H ASP 82 -0.039 -7.014 -8.290 699 HA ASP 82 HA ASP 82 -2.747 -6.811 -9.274 700 HB2 ASP 82 2HB ASP 82 -1.784 -8.819 -8.012 701 HB3 ASP 82 1HB ASP 82 -1.808 -7.848 -6.551 702 H TYR 83 H TYR 83 -4.481 -6.136 -7.435 703 HA TYR 83 HA TYR 83 -3.805 -3.330 -6.808 704 HB2 TYR 83 2HB TYR 83 -6.455 -4.625 -7.562 705 HB3 TYR 83 1HB TYR 83 -6.291 -2.950 -7.043 706 HD1 TYR 83 HD1 TYR 83 -4.774 -5.275 -9.614 707 HD2 TYR 83 HD2 TYR 83 -6.156 -1.325 -8.748 708 HE1 TYR 83 HE1 TYR 83 -4.316 -4.614 -11.930 709 HE2 TYR 83 HE2 TYR 83 -5.710 -0.675 -11.070 710 HH TYR 83 HH TYR 83 -4.979 -2.941 -13.533 711 H VAL 84 H VAL 84 -3.866 -2.680 -4.787 712 HA VAL 84 HA VAL 84 -5.046 -4.289 -2.608 713 HB VAL 84 HB VAL 84 -3.783 -2.890 -1.069 714 HG11 VAL 84 1HG1 VAL 84 -1.970 -3.556 -3.410 715 HG12 VAL 84 2HG1 VAL 84 -2.460 -4.659 -2.126 716 HG13 VAL 84 3HG1 VAL 84 -1.450 -3.267 -1.746 717 HG21 VAL 84 3HG2 VAL 84 -3.013 -1.122 -3.425 718 HG22 VAL 84 1HG2 VAL 84 -2.393 -0.960 -1.778 719 HG23 VAL 84 2HG2 VAL 84 -4.103 -0.690 -2.107 720 H GLU 85 H GLU 85 -6.221 -2.958 -0.900 721 HA GLU 85 HA GLU 85 -7.755 -0.681 -2.028 722 HB2 GLU 85 2HB GLU 85 -8.769 -2.628 0.095 723 HB3 GLU 85 1HB GLU 85 -9.690 -1.390 -0.754 724 HG2 GLU 85 2HG GLU 85 -9.232 -2.689 -2.904 725 HG3 GLU 85 1HG GLU 85 -8.599 -3.977 -1.882 726 H ILE 86 H ILE 86 -6.777 1.048 -1.152 727 HA ILE 86 HA ILE 86 -5.861 1.103 1.618 728 HB ILE 86 HB ILE 86 -5.781 3.261 -0.550 729 HG12 ILE 86 2HG1 ILE 86 -3.613 1.333 0.405 730 HG13 ILE 86 1HG1 ILE 86 -4.434 1.265 -1.145 731 HG21 ILE 86 1HG2 ILE 86 -4.374 3.190 2.149 732 HG22 ILE 86 2HG2 ILE 86 -5.717 4.248 1.711 733 HG23 ILE 86 3HG2 ILE 86 -4.158 4.426 0.906 734 HD11 ILE 86 3HD1 ILE 86 -2.229 2.158 -1.390 735 HD12 ILE 86 1HD1 ILE 86 -2.564 3.431 -0.214 736 HD13 ILE 86 2HD1 ILE 86 -3.421 3.402 -1.759 737 H VAL 87 H VAL 87 -7.731 0.969 2.775 738 HA VAL 87 HA VAL 87 -10.019 2.658 2.312 739 HB VAL 87 HB VAL 87 -9.369 0.886 4.723 740 HG11 VAL 87 1HG1 VAL 87 -11.067 2.592 5.255 741 HG12 VAL 87 2HG1 VAL 87 -11.781 0.980 5.228 742 HG13 VAL 87 3HG1 VAL 87 -12.039 2.079 3.871 743 HG21 VAL 87 3HG2 VAL 87 -10.825 -0.818 3.675 744 HG22 VAL 87 1HG2 VAL 87 -9.445 -0.440 2.641 745 HG23 VAL 87 2HG2 VAL 87 -11.039 0.214 2.258 746 H LEU 88 H LEU 88 -10.177 4.692 2.970 747 HA LEU 88 HA LEU 88 -8.375 6.088 4.631 748 HB2 LEU 88 2HB LEU 88 -10.177 6.953 2.886 749 HB3 LEU 88 1HB LEU 88 -11.263 6.939 4.251 750 HG LEU 88 HG LEU 88 -10.488 9.196 3.920 751 HD11 LEU 88 1HD1 LEU 88 -10.705 8.603 6.283 752 HD12 LEU 88 2HD1 LEU 88 -9.455 9.820 6.034 753 HD13 LEU 88 3HD1 LEU 88 -9.002 8.139 6.338 754 HD21 LEU 88 3HD2 LEU 88 -7.657 8.136 3.993 755 HD22 LEU 88 1HD2 LEU 88 -8.113 9.839 3.910 756 HD23 LEU 88 2HD2 LEU 88 -8.519 8.753 2.584 757 H GLU 89 H GLU 89 -8.069 5.121 6.568 758 HA GLU 89 HA GLU 89 -10.042 3.891 8.156 759 HB2 GLU 89 2HB GLU 89 -7.639 3.336 8.307 760 HB3 GLU 89 1HB GLU 89 -7.302 4.940 8.962 761 HG2 GLU 89 2HG GLU 89 -8.722 4.414 10.931 762 HG3 GLU 89 1HG GLU 89 -9.021 2.803 10.285 763 H HIS 90 H HIS 90 -11.731 5.123 8.673 764 HA HIS 90 HA HIS 90 -11.415 7.391 10.508 765 HB2 HIS 90 2HB HIS 90 -11.610 8.377 8.229 766 HB3 HIS 90 1HB HIS 90 -13.094 7.477 7.950 767 HD1 HIS 90 HD1 HIS 90 -15.243 8.351 9.073 768 HD2 HIS 90 HD2 HIS 90 -11.878 10.668 9.854 769 HE1 HIS 90 HE1 HIS 90 -16.111 10.497 10.041 770 HE2 HIS 90 HE2 HIS 90 -14.048 11.749 10.732 771 H HIS 91 H HIS 91 -12.428 6.554 12.239 772 HA HIS 91 HA HIS 91 -14.479 4.582 12.122 773 HB2 HIS 91 2HB HIS 91 -14.600 4.800 14.607 774 HB3 HIS 91 1HB HIS 91 -12.961 4.565 14.024 775 HD1 HIS 91 HD1 HIS 91 -11.251 6.410 14.516 776 HD2 HIS 91 HD2 HIS 91 -15.104 7.380 15.751 777 HE1 HIS 91 HE1 HIS 91 -11.016 8.459 15.953 778 HE2 HIS 91 HE2 HIS 91 -13.333 8.945 16.783 Start of MODEL 8 1 H1 MET 1 1H MET 1 -16.735 2.783 0.714 2 H2 MET 1 2H MET 1 -16.448 2.285 -0.875 3 H3 MET 1 3H MET 1 -17.603 3.477 -0.561 4 HA MET 1 HA MET 1 -15.584 4.371 -1.479 5 HB2 MET 1 2HB MET 1 -15.280 6.187 0.209 6 HB3 MET 1 1HB MET 1 -16.966 5.833 -0.126 7 HG2 MET 1 2HG MET 1 -15.431 4.947 2.332 8 HG3 MET 1 1HG MET 1 -16.598 6.265 2.257 9 HE1 MET 1 3HE MET 1 -16.617 3.761 4.330 10 HE2 MET 1 1HE MET 1 -18.339 3.398 4.383 11 HE3 MET 1 2HE MET 1 -17.795 5.076 4.400 12 H ARG 2 H ARG 2 -13.786 3.164 -1.867 13 HA ARG 2 HA ARG 2 -11.738 3.025 0.269 14 HB2 ARG 2 2HB ARG 2 -12.283 0.824 -1.788 15 HB3 ARG 2 1HB ARG 2 -10.891 0.872 -0.708 16 HG2 ARG 2 2HG ARG 2 -12.438 0.715 1.242 17 HG3 ARG 2 1HG ARG 2 -13.795 0.581 0.118 18 HD2 ARG 2 2HD ARG 2 -11.473 -1.362 0.347 19 HD3 ARG 2 1HD ARG 2 -13.101 -1.626 0.965 20 HE ARG 2 HE ARG 2 -12.213 -1.747 -1.820 21 HH11 ARG 2 1HH1 ARG 2 -14.969 -1.851 0.374 22 HH12 ARG 2 2HH1 ARG 2 -16.015 -2.604 -0.787 23 HH21 ARG 2 1HH2 ARG 2 -13.567 -2.797 -3.298 24 HH22 ARG 2 2HH2 ARG 2 -15.219 -3.145 -2.876 25 H ILE 3 H ILE 3 -9.545 2.687 -0.722 26 HA ILE 3 HA ILE 3 -9.189 4.156 -3.284 27 HB ILE 3 HB ILE 3 -7.231 3.950 -0.939 28 HG12 ILE 3 2HG1 ILE 3 -8.910 6.386 -1.683 29 HG13 ILE 3 1HG1 ILE 3 -9.326 5.273 -0.385 30 HG21 ILE 3 1HG2 ILE 3 -7.109 5.729 -3.400 31 HG22 ILE 3 2HG2 ILE 3 -6.104 4.310 -3.103 32 HG23 ILE 3 3HG2 ILE 3 -5.947 5.732 -2.069 33 HD11 ILE 3 3HD1 ILE 3 -7.241 5.851 0.761 34 HD12 ILE 3 1HD1 ILE 3 -8.283 7.245 0.491 35 HD13 ILE 3 2HD1 ILE 3 -6.863 7.002 -0.526 36 H LYS 4 H LYS 4 -8.323 2.844 -4.895 37 HA LYS 4 HA LYS 4 -7.282 0.183 -4.196 38 HB2 LYS 4 2HB LYS 4 -7.878 1.466 -6.891 39 HB3 LYS 4 1HB LYS 4 -7.192 -0.151 -6.715 40 HG2 LYS 4 2HG LYS 4 -9.196 -0.844 -5.441 41 HG3 LYS 4 1HG LYS 4 -9.893 0.765 -5.686 42 HD2 LYS 4 2HD LYS 4 -9.943 0.414 -8.104 43 HD3 LYS 4 1HD LYS 4 -9.125 -1.144 -7.933 44 HE2 LYS 4 2HE LYS 4 -11.551 -1.423 -8.284 45 HE3 LYS 4 1HE LYS 4 -11.053 -2.039 -6.709 46 HZ1 LYS 4 3HZ LYS 4 -11.860 0.019 -5.707 47 HZ2 LYS 4 1HZ LYS 4 -13.087 -0.785 -6.545 48 HZ3 LYS 4 2HZ LYS 4 -12.356 0.578 -7.221 49 H GLY 5 H GLY 5 -5.177 -0.463 -4.473 50 HA2 GLY 5 2HA GLY 5 -3.219 1.475 -5.590 51 HA3 GLY 5 1HA GLY 5 -2.994 0.828 -3.970 52 H VAL 6 H VAL 6 -1.613 0.527 -6.725 53 HA VAL 6 HA VAL 6 -1.701 -2.361 -7.133 54 HB VAL 6 HB VAL 6 -0.239 -0.135 -8.623 55 HG11 VAL 6 1HG1 VAL 6 1.035 -2.229 -8.830 56 HG12 VAL 6 2HG1 VAL 6 0.267 -1.821 -10.366 57 HG13 VAL 6 3HG1 VAL 6 -0.424 -3.081 -9.341 58 HG21 VAL 6 3HG2 VAL 6 -1.918 -0.543 -10.409 59 HG22 VAL 6 1HG2 VAL 6 -2.683 -0.037 -8.897 60 HG23 VAL 6 2HG2 VAL 6 -2.716 -1.735 -9.379 61 H VAL 7 H VAL 7 -0.449 -3.562 -5.915 62 HA VAL 7 HA VAL 7 1.678 -2.894 -4.265 63 HB VAL 7 HB VAL 7 1.069 -5.560 -5.636 64 HG11 VAL 7 1HG1 VAL 7 2.373 -6.650 -3.833 65 HG12 VAL 7 2HG1 VAL 7 2.855 -5.065 -3.227 66 HG13 VAL 7 3HG1 VAL 7 3.383 -5.594 -4.824 67 HG21 VAL 7 3HG2 VAL 7 -0.085 -6.177 -3.543 68 HG22 VAL 7 1HG2 VAL 7 -0.809 -4.730 -4.254 69 HG23 VAL 7 2HG2 VAL 7 0.266 -4.586 -2.862 70 H LEU 8 H LEU 8 3.427 -1.806 -5.029 71 HA LEU 8 HA LEU 8 4.579 -2.222 -7.638 72 HB2 LEU 8 2HB LEU 8 5.580 -0.611 -5.252 73 HB3 LEU 8 1HB LEU 8 6.291 -0.566 -6.861 74 HG LEU 8 HG LEU 8 3.485 0.363 -6.128 75 HD11 LEU 8 1HD1 LEU 8 4.292 2.617 -6.645 76 HD12 LEU 8 2HD1 LEU 8 5.918 1.986 -6.927 77 HD13 LEU 8 3HD1 LEU 8 5.199 1.895 -5.316 78 HD21 LEU 8 3HD2 LEU 8 3.335 1.177 -8.465 79 HD22 LEU 8 1HD2 LEU 8 3.466 -0.577 -8.378 80 HD23 LEU 8 2HD2 LEU 8 4.869 0.391 -8.838 81 H SER 9 H SER 9 5.800 -2.667 -4.309 82 HA SER 9 HA SER 9 7.114 -5.162 -4.892 83 HB2 SER 9 2HB SER 9 9.444 -4.345 -4.436 84 HB3 SER 9 1HB SER 9 8.775 -3.659 -5.916 85 HG SER 9 HG SER 9 9.877 -2.258 -4.189 86 H TYR 10 H TYR 10 8.163 -6.064 -2.939 87 HA TYR 10 HA TYR 10 7.179 -4.981 -0.398 88 HB2 TYR 10 2HB TYR 10 8.723 -7.532 -1.067 89 HB3 TYR 10 1HB TYR 10 8.303 -7.055 0.576 90 HD1 TYR 10 HD2 TYR 10 5.799 -6.775 1.149 91 HD2 TYR 10 HD1 TYR 10 7.150 -8.773 -2.383 92 HE1 TYR 10 HE2 TYR 10 3.621 -7.899 0.947 93 HE2 TYR 10 HE1 TYR 10 4.976 -9.896 -2.581 94 HH TYR 10 HH TYR 10 3.090 -10.545 -0.988 95 H ARG 11 H ARG 11 8.429 -3.809 0.930 96 HA ARG 11 HA ARG 11 11.358 -3.710 0.599 97 HB2 ARG 11 2HB ARG 11 10.117 -1.540 0.766 98 HB3 ARG 11 1HB ARG 11 9.455 -2.019 2.315 99 HG2 ARG 11 2HG ARG 11 12.449 -1.753 1.908 100 HG3 ARG 11 1HG ARG 11 11.455 -0.344 2.264 101 HD2 ARG 11 2HD ARG 11 10.759 -1.350 4.403 102 HD3 ARG 11 1HD ARG 11 11.672 -2.816 4.033 103 HE ARG 11 HE ARG 11 13.255 -0.405 4.048 104 HH11 ARG 11 1HH1 ARG 11 12.009 -3.035 6.044 105 HH12 ARG 11 2HH1 ARG 11 13.230 -2.833 7.254 106 HH21 ARG 11 1HH2 ARG 11 14.808 -0.158 5.663 107 HH22 ARG 11 2HH2 ARG 11 14.811 -1.210 7.040 108 H ARG 12 H ARG 12 12.316 -5.406 1.662 109 HA ARG 12 HA ARG 12 10.783 -6.868 3.623 110 HB2 ARG 12 2HB ARG 12 12.368 -8.631 3.481 111 HB3 ARG 12 1HB ARG 12 12.094 -8.044 1.848 112 HG2 ARG 12 2HG ARG 12 14.257 -6.805 1.969 113 HG3 ARG 12 1HG ARG 12 14.533 -7.493 3.574 114 HD2 ARG 12 2HD ARG 12 14.314 -8.999 0.941 115 HD3 ARG 12 1HD ARG 12 15.754 -8.809 1.938 116 HE ARG 12 HE ARG 12 14.592 -10.193 3.654 117 HH11 ARG 12 1HH1 ARG 12 13.506 -10.465 0.312 118 HH12 ARG 12 2HH1 ARG 12 12.866 -12.066 0.519 119 HH21 ARG 12 1HH2 ARG 12 13.771 -12.313 3.886 120 HH22 ARG 12 2HH2 ARG 12 13.017 -13.106 2.544 121 H SER 13 H SER 13 11.027 -6.970 5.738 122 HA SER 13 HA SER 13 12.512 -5.063 7.212 123 HB2 SER 13 2HB SER 13 11.138 -7.623 8.156 124 HB3 SER 13 1HB SER 13 11.638 -6.281 9.193 125 HG SER 13 HG SER 13 9.497 -5.976 8.725 126 H LYS 14 H LYS 14 14.215 -5.506 8.779 127 HA LYS 14 HA LYS 14 16.465 -6.780 7.693 128 HB2 LYS 14 2HB LYS 14 16.523 -4.878 9.327 129 HB3 LYS 14 1HB LYS 14 16.036 -5.985 10.606 130 HG2 LYS 14 2HG LYS 14 18.157 -7.275 10.262 131 HG3 LYS 14 1HG LYS 14 18.615 -6.128 9.000 132 HD2 LYS 14 2HD LYS 14 19.797 -5.483 10.985 133 HD3 LYS 14 1HD LYS 14 18.527 -4.286 10.732 134 HE2 LYS 14 2HE LYS 14 18.637 -4.831 13.095 135 HE3 LYS 14 1HE LYS 14 17.134 -5.496 12.451 136 HZ1 LYS 14 3HZ LYS 14 18.136 -7.126 13.830 137 HZ2 LYS 14 1HZ LYS 14 19.636 -6.967 13.066 138 HZ3 LYS 14 2HZ LYS 14 18.329 -7.645 12.235 139 H GLU 15 H GLU 15 14.233 -7.782 10.230 140 HA GLU 15 HA GLU 15 15.360 -10.508 10.315 141 HB2 GLU 15 2HB GLU 15 13.329 -9.176 12.167 142 HB3 GLU 15 1HB GLU 15 14.063 -10.761 12.394 143 HG2 GLU 15 2HG GLU 15 15.480 -8.076 12.507 144 HG3 GLU 15 1HG GLU 15 15.103 -9.123 13.874 145 H ASN 16 H ASN 16 14.468 -11.700 8.790 146 HA ASN 16 HA ASN 16 11.906 -11.373 7.592 147 HB2 ASN 16 2HB ASN 16 13.747 -13.816 7.547 148 HB3 ASN 16 1HB ASN 16 12.434 -13.488 6.421 149 HD21 ASN 16 1HD2 ASN 16 15.325 -13.890 5.972 150 HD22 ASN 16 2HD2 ASN 16 15.861 -12.494 5.109 151 H GLN 17 H GLN 17 10.460 -11.374 9.369 152 HA GLN 17 HA GLN 17 9.633 -14.062 10.290 153 HB2 GLN 17 2HB GLN 17 9.849 -11.539 12.004 154 HB3 GLN 17 1HB GLN 17 8.880 -12.924 12.481 155 HG2 GLN 17 2HG GLN 17 11.865 -13.066 11.970 156 HG3 GLN 17 1HG GLN 17 11.155 -12.780 13.559 157 HE21 GLN 17 1HE2 GLN 17 12.841 -15.001 12.696 158 HE22 GLN 17 2HE2 GLN 17 11.928 -16.443 12.962 159 H HIS 18 H HIS 18 8.411 -10.770 10.820 160 HA HIS 18 HA HIS 18 6.330 -10.892 8.850 161 HB2 HIS 18 2HB HIS 18 4.396 -10.790 10.385 162 HB3 HIS 18 1HB HIS 18 5.278 -12.290 10.644 163 HD1 HIS 18 HD1 HIS 18 3.756 -9.609 12.483 164 HD2 HIS 18 HD2 HIS 18 7.115 -12.007 13.038 165 HE1 HIS 18 HE1 HIS 18 4.307 -9.467 14.929 166 HE2 HIS 18 HE2 HIS 18 6.326 -10.929 15.242 167 H ASN 19 H ASN 19 4.700 -8.881 9.701 168 HA ASN 19 HA ASN 19 4.483 -6.648 9.729 169 HB2 ASN 19 2HB ASN 19 6.876 -6.822 11.597 170 HB3 ASN 19 1HB ASN 19 6.052 -5.309 11.253 171 HD21 ASN 19 1HD2 ASN 19 3.377 -6.338 11.193 172 HD22 ASN 19 2HD2 ASN 19 2.973 -6.796 12.809 173 H ASN 20 H ASN 20 5.811 -7.869 7.622 174 HA ASN 20 HA ASN 20 8.080 -6.406 6.705 175 HB2 ASN 20 2HB ASN 20 7.543 -8.715 5.937 176 HB3 ASN 20 1HB ASN 20 6.081 -8.118 5.166 177 HD21 ASN 20 1HD2 ASN 20 6.672 -8.695 3.068 178 HD22 ASN 20 2HD2 ASN 20 7.982 -7.965 2.226 179 H VAL 21 H VAL 21 8.147 -4.867 4.994 180 HA VAL 21 HA VAL 21 5.850 -3.024 4.943 181 HB VAL 21 HB VAL 21 8.688 -2.610 3.889 182 HG11 VAL 21 1HG1 VAL 21 8.146 -0.201 3.975 183 HG12 VAL 21 2HG1 VAL 21 6.505 -0.590 4.501 184 HG13 VAL 21 3HG1 VAL 21 7.053 -1.073 2.894 185 HG21 VAL 21 3HG2 VAL 21 9.198 -1.402 5.957 186 HG22 VAL 21 1HG2 VAL 21 8.733 -3.068 6.320 187 HG23 VAL 21 2HG2 VAL 21 7.586 -1.752 6.581 188 H MET 22 H MET 22 4.831 -2.503 2.998 189 HA MET 22 HA MET 22 5.901 -3.625 0.491 190 HB2 MET 22 2HB MET 22 4.092 -5.113 1.210 191 HB3 MET 22 1HB MET 22 3.003 -3.749 1.415 192 HG2 MET 22 2HG MET 22 2.778 -3.426 -0.896 193 HG3 MET 22 1HG MET 22 4.239 -4.341 -1.268 194 HE1 MET 22 3HE MET 22 1.064 -5.306 1.024 195 HE2 MET 22 1HE MET 22 0.158 -6.219 -0.179 196 HE3 MET 22 2HE MET 22 0.428 -4.492 -0.407 197 H ILE 23 H ILE 23 6.262 -2.077 -0.865 198 HA ILE 23 HA ILE 23 5.219 0.603 -0.642 199 HB ILE 23 HB ILE 23 6.970 -0.623 -2.827 200 HG12 ILE 23 2HG1 ILE 23 8.072 -0.819 -0.607 201 HG13 ILE 23 1HG1 ILE 23 8.913 0.349 -1.616 202 HG21 ILE 23 1HG2 ILE 23 6.460 2.300 -2.132 203 HG22 ILE 23 2HG2 ILE 23 5.888 1.455 -3.573 204 HG23 ILE 23 3HG2 ILE 23 7.615 1.725 -3.337 205 HD11 ILE 23 3HD1 ILE 23 7.835 2.179 -0.370 206 HD12 ILE 23 1HD1 ILE 23 8.781 1.112 0.667 207 HD13 ILE 23 2HD1 ILE 23 7.024 0.986 0.651 208 H ILE 24 H ILE 24 3.531 1.398 -1.744 209 HA ILE 24 HA ILE 24 2.083 -0.290 -3.710 210 HB ILE 24 HB ILE 24 0.909 1.285 -1.367 211 HG12 ILE 24 2HG1 ILE 24 0.958 -1.742 -1.753 212 HG13 ILE 24 1HG1 ILE 24 2.048 -0.858 -0.690 213 HG21 ILE 24 1HG2 ILE 24 -0.608 1.333 -3.301 214 HG22 ILE 24 2HG2 ILE 24 -1.283 0.359 -1.994 215 HG23 ILE 24 3HG2 ILE 24 -0.555 -0.430 -3.394 216 HD11 ILE 24 3HD1 ILE 24 0.122 -0.111 0.637 217 HD12 ILE 24 1HD1 ILE 24 0.275 -1.866 0.576 218 HD13 ILE 24 2HD1 ILE 24 -0.947 -1.057 -0.403 219 H LYS 25 H LYS 25 0.872 0.893 -5.274 220 HA LYS 25 HA LYS 25 1.288 3.829 -5.414 221 HB2 LYS 25 2HB LYS 25 2.414 2.615 -7.261 222 HB3 LYS 25 1HB LYS 25 0.899 1.835 -7.689 223 HG2 LYS 25 2HG LYS 25 1.353 3.646 -9.254 224 HG3 LYS 25 1HG LYS 25 -0.065 4.052 -8.286 225 HD2 LYS 25 2HD LYS 25 1.364 6.015 -8.550 226 HD3 LYS 25 1HD LYS 25 1.346 5.517 -6.856 227 HE2 LYS 25 2HE LYS 25 3.618 6.131 -7.599 228 HE3 LYS 25 1HE LYS 25 3.543 4.430 -7.145 229 HZ1 LYS 25 3HZ LYS 25 3.379 3.861 -9.492 230 HZ2 LYS 25 1HZ LYS 25 4.781 4.754 -9.185 231 HZ3 LYS 25 2HZ LYS 25 3.451 5.494 -9.917 232 HA PRO 26 HA PRO 26 -3.312 3.401 -4.895 233 HB2 PRO 26 2HB PRO 26 -2.999 6.216 -3.945 234 HB3 PRO 26 1HB PRO 26 -3.826 4.858 -3.158 235 HG2 PRO 26 2HG PRO 26 -1.504 5.792 -2.198 236 HG3 PRO 26 1HG PRO 26 -1.876 4.052 -2.170 237 HD2 PRO 26 2HD PRO 26 -0.117 5.567 -4.104 238 HD3 PRO 26 1HD PRO 26 0.167 3.995 -3.319 239 H LEU 27 H LEU 27 -4.669 3.958 -6.555 240 HA LEU 27 HA LEU 27 -3.539 4.978 -8.941 241 HB2 LEU 27 2HB LEU 27 -6.445 4.388 -8.268 242 HB3 LEU 27 1HB LEU 27 -5.844 4.721 -9.888 243 HG LEU 27 HG LEU 27 -5.116 2.313 -8.169 244 HD11 LEU 27 1HD1 LEU 27 -6.315 1.020 -9.897 245 HD12 LEU 27 2HD1 LEU 27 -6.802 2.521 -10.679 246 HD13 LEU 27 3HD1 LEU 27 -7.366 2.147 -9.048 247 HD21 LEU 27 3HD2 LEU 27 -3.880 1.476 -10.146 248 HD22 LEU 27 1HD2 LEU 27 -3.172 2.961 -9.512 249 HD23 LEU 27 2HD2 LEU 27 -4.160 3.009 -10.975 250 H ASP 28 H ASP 28 -5.551 6.441 -6.472 251 HA ASP 28 HA ASP 28 -6.278 8.835 -7.839 252 HB2 ASP 28 2HB ASP 28 -7.493 8.078 -5.831 253 HB3 ASP 28 1HB ASP 28 -6.034 8.211 -4.856 254 H VAL 29 H VAL 29 -3.383 7.774 -6.299 255 HA VAL 29 HA VAL 29 -2.407 10.472 -5.677 256 HB VAL 29 HB VAL 29 -1.450 7.700 -4.842 257 HG11 VAL 29 1HG1 VAL 29 0.079 8.812 -3.275 258 HG12 VAL 29 2HG1 VAL 29 -0.399 10.386 -3.907 259 HG13 VAL 29 3HG1 VAL 29 0.467 9.252 -4.941 260 HG21 VAL 29 3HG2 VAL 29 -3.593 8.354 -3.820 261 HG22 VAL 29 1HG2 VAL 29 -2.882 9.875 -3.268 262 HG23 VAL 29 2HG2 VAL 29 -2.309 8.342 -2.609 263 H ASN 30 H ASN 30 -0.538 11.298 -6.465 264 HA ASN 30 HA ASN 30 1.227 9.824 -8.278 265 HB2 ASN 30 2HB ASN 30 1.090 11.528 -10.044 266 HB3 ASN 30 1HB ASN 30 -0.483 10.789 -9.774 267 HD21 ASN 30 1HD2 ASN 30 0.134 13.353 -11.008 268 HD22 ASN 30 2HD2 ASN 30 -0.691 14.558 -10.085 269 H SER 31 H SER 31 0.622 12.551 -6.158 270 HA SER 31 HA SER 31 3.442 13.428 -6.310 271 HB2 SER 31 2HB SER 31 1.060 14.976 -5.212 272 HB3 SER 31 1HB SER 31 2.694 15.593 -5.480 273 HG SER 31 HG SER 31 0.711 14.903 -7.354 274 H ARG 32 H ARG 32 4.249 14.379 -4.192 275 HA ARG 32 HA ARG 32 4.433 12.303 -2.272 276 HB2 ARG 32 2HB ARG 32 6.282 13.884 -2.731 277 HB3 ARG 32 1HB ARG 32 5.322 15.218 -2.104 278 HG2 ARG 32 2HG ARG 32 5.382 14.202 0.161 279 HG3 ARG 32 1HG ARG 32 6.329 12.851 -0.469 280 HD2 ARG 32 2HD ARG 32 8.174 14.345 -1.018 281 HD3 ARG 32 1HD ARG 32 7.220 15.755 -0.551 282 HE ARG 32 HE ARG 32 7.462 13.940 1.629 283 HH11 ARG 32 1HH1 ARG 32 9.349 16.329 -0.151 284 HH12 ARG 32 2HH1 ARG 32 10.369 16.695 1.202 285 HH21 ARG 32 1HH2 ARG 32 8.779 14.496 3.394 286 HH22 ARG 32 2HH2 ARG 32 10.049 15.662 3.196 287 H GLU 33 H GLU 33 2.735 15.436 -2.270 288 HA GLU 33 HA GLU 33 1.721 15.210 0.418 289 HB2 GLU 33 2HB GLU 33 0.991 17.085 -1.870 290 HB3 GLU 33 1HB GLU 33 0.290 17.202 -0.253 291 HG2 GLU 33 2HG GLU 33 2.531 17.597 0.703 292 HG3 GLU 33 1HG GLU 33 3.250 17.462 -0.903 293 H GLU 34 H GLU 34 0.544 14.369 -2.787 294 HA GLU 34 HA GLU 34 -2.118 13.699 -2.072 295 HB2 GLU 34 2HB GLU 34 -0.430 12.526 -4.322 296 HB3 GLU 34 1HB GLU 34 -2.180 12.385 -4.174 297 HG2 GLU 34 2HG GLU 34 -0.586 14.914 -4.678 298 HG3 GLU 34 1HG GLU 34 -1.632 14.077 -5.822 299 H ALA 35 H ALA 35 0.935 11.997 -1.865 300 HA ALA 35 HA ALA 35 -0.171 9.474 -0.982 301 HB1 ALA 35 3HB ALA 35 2.198 8.850 -0.667 302 HB2 ALA 35 1HB ALA 35 2.685 10.523 -0.966 303 HB3 ALA 35 2HB ALA 35 1.935 9.576 -2.253 304 H SER 36 H SER 36 1.047 12.427 0.472 305 HA SER 36 HA SER 36 1.502 11.397 3.119 306 HB2 SER 36 2HB SER 36 2.793 13.330 2.182 307 HB3 SER 36 1HB SER 36 1.326 14.308 2.211 308 HG SER 36 HG SER 36 1.467 13.418 4.615 309 H LYS 37 H LYS 37 -1.233 12.835 1.442 310 HA LYS 37 HA LYS 37 -2.772 13.342 3.826 311 HB2 LYS 37 2HB LYS 37 -4.682 13.718 2.326 312 HB3 LYS 37 1HB LYS 37 -3.264 14.601 1.774 313 HG2 LYS 37 2HG LYS 37 -2.872 12.911 0.031 314 HG3 LYS 37 1HG LYS 37 -4.271 11.988 0.591 315 HD2 LYS 37 2HD LYS 37 -5.768 13.849 -0.013 316 HD3 LYS 37 1HD LYS 37 -4.384 14.834 -0.500 317 HE2 LYS 37 2HE LYS 37 -5.585 13.818 -2.436 318 HE3 LYS 37 1HE LYS 37 -3.899 13.318 -2.344 319 HZ1 LYS 37 3HZ LYS 37 -5.397 11.490 -2.863 320 HZ2 LYS 37 1HZ LYS 37 -6.216 11.716 -1.403 321 HZ3 LYS 37 2HZ LYS 37 -4.597 11.222 -1.395 322 H LEU 38 H LEU 38 -1.735 10.478 2.532 323 HA LEU 38 HA LEU 38 -4.093 8.952 3.450 324 HB2 LEU 38 2HB LEU 38 -1.827 8.069 1.625 325 HB3 LEU 38 1HB LEU 38 -3.145 7.043 2.171 326 HG LEU 38 HG LEU 38 -3.251 9.342 0.199 327 HD11 LEU 38 1HD1 LEU 38 -4.310 7.681 -1.258 328 HD12 LEU 38 2HD1 LEU 38 -4.190 6.462 0.014 329 HD13 LEU 38 3HD1 LEU 38 -2.726 7.137 -0.710 330 HD21 LEU 38 3HD2 LEU 38 -5.648 8.093 1.592 331 HD22 LEU 38 1HD2 LEU 38 -5.723 9.154 0.182 332 HD23 LEU 38 2HD2 LEU 38 -5.108 9.770 1.708 333 H ILE 39 H ILE 39 -1.442 10.062 4.912 334 HA ILE 39 HA ILE 39 -0.347 7.709 6.117 335 HB ILE 39 HB ILE 39 -0.370 10.560 7.224 336 HG12 ILE 39 2HG1 ILE 39 0.780 10.464 5.039 337 HG13 ILE 39 1HG1 ILE 39 1.952 10.731 6.321 338 HG21 ILE 39 1HG2 ILE 39 0.089 8.953 9.028 339 HG22 ILE 39 2HG2 ILE 39 1.561 9.842 8.632 340 HG23 ILE 39 3HG2 ILE 39 1.351 8.186 8.058 341 HD11 ILE 39 3HD1 ILE 39 2.793 9.195 4.662 342 HD12 ILE 39 1HD1 ILE 39 1.421 8.119 4.912 343 HD13 ILE 39 2HD1 ILE 39 2.599 8.364 6.205 344 H GLY 40 H GLY 40 -1.206 6.435 7.653 345 HA2 GLY 40 2HA GLY 40 -2.305 5.981 9.706 346 HA3 GLY 40 1HA GLY 40 -3.300 7.414 9.496 347 H ARG 41 H ARG 41 -3.273 5.951 6.529 348 HA ARG 41 HA ARG 41 -5.996 5.016 6.871 349 HB2 ARG 41 2HB ARG 41 -4.203 5.499 4.479 350 HB3 ARG 41 1HB ARG 41 -5.635 4.500 4.281 351 HG2 ARG 41 2HG ARG 41 -6.012 6.877 3.642 352 HG3 ARG 41 1HG ARG 41 -7.091 6.320 4.921 353 HD2 ARG 41 2HD ARG 41 -5.598 7.432 6.600 354 HD3 ARG 41 1HD ARG 41 -4.625 8.059 5.273 355 HE ARG 41 HE ARG 41 -7.214 8.875 4.778 356 HH11 ARG 41 1HH1 ARG 41 -4.846 9.375 7.358 357 HH12 ARG 41 2HH1 ARG 41 -5.486 10.931 7.783 358 HH21 ARG 41 1HH2 ARG 41 -8.027 10.883 5.406 359 HH22 ARG 41 2HH2 ARG 41 -7.274 11.777 6.685 360 H LEU 42 H LEU 42 -6.740 2.964 6.621 361 HA LEU 42 HA LEU 42 -4.875 0.850 7.392 362 HB2 LEU 42 2HB LEU 42 -6.897 1.253 8.751 363 HB3 LEU 42 1HB LEU 42 -7.913 1.034 7.339 364 HG LEU 42 HG LEU 42 -7.049 -1.394 7.252 365 HD11 LEU 42 1HD1 LEU 42 -5.070 -1.149 8.656 366 HD12 LEU 42 2HD1 LEU 42 -6.156 -2.369 9.312 367 HD13 LEU 42 3HD1 LEU 42 -6.079 -0.768 10.053 368 HD21 LEU 42 3HD2 LEU 42 -8.646 -2.176 8.936 369 HD22 LEU 42 1HD2 LEU 42 -9.298 -0.833 7.999 370 HD23 LEU 42 2HD2 LEU 42 -8.712 -0.558 9.642 371 H VAL 43 H VAL 43 -4.076 -0.362 5.775 372 HA VAL 43 HA VAL 43 -5.460 -0.556 3.190 373 HB VAL 43 HB VAL 43 -2.612 -1.389 3.899 374 HG11 VAL 43 1HG1 VAL 43 -3.934 -0.971 1.192 375 HG12 VAL 43 2HG1 VAL 43 -3.490 -2.525 1.900 376 HG13 VAL 43 3HG1 VAL 43 -2.234 -1.371 1.450 377 HG21 VAL 43 3HG2 VAL 43 -1.859 0.714 2.831 378 HG22 VAL 43 1HG2 VAL 43 -2.860 1.035 4.252 379 HG23 VAL 43 2HG2 VAL 43 -3.541 1.215 2.633 380 H LEU 44 H LEU 44 -6.733 -2.302 3.014 381 HA LEU 44 HA LEU 44 -6.055 -4.873 4.296 382 HB2 LEU 44 2HB LEU 44 -8.623 -4.114 2.835 383 HB3 LEU 44 1HB LEU 44 -8.363 -5.514 3.866 384 HG LEU 44 HG LEU 44 -8.554 -2.608 4.753 385 HD11 LEU 44 1HD1 LEU 44 -10.710 -3.594 4.193 386 HD12 LEU 44 2HD1 LEU 44 -10.580 -3.318 5.927 387 HD13 LEU 44 3HD1 LEU 44 -10.404 -4.953 5.282 388 HD21 LEU 44 3HD2 LEU 44 -8.007 -5.056 6.466 389 HD22 LEU 44 1HD2 LEU 44 -8.357 -3.433 7.066 390 HD23 LEU 44 2HD2 LEU 44 -6.891 -3.726 6.139 391 H TRP 45 H TRP 45 -4.530 -5.751 2.913 392 HA TRP 45 HA TRP 45 -5.244 -6.078 0.059 393 HB2 TRP 45 2HB TRP 45 -2.961 -5.191 0.507 394 HB3 TRP 45 1HB TRP 45 -2.583 -6.636 1.448 395 HD1 TRP 45 HD1 TRP 45 -3.855 -5.929 -2.185 396 HE1 TRP 45 HE1 TRP 45 -2.641 -7.501 -3.787 397 HE3 TRP 45 HE3 TRP 45 -1.119 -8.576 1.198 398 HZ2 TRP 45 HZ2 TRP 45 -0.792 -9.599 -3.672 399 HZ3 TRP 45 HZ3 TRP 45 0.349 -10.374 0.371 400 HH2 TRP 45 HH2 TRP 45 0.505 -10.877 -2.014 401 H LYS 46 H LYS 46 -5.877 -8.008 -0.647 402 HA LYS 46 HA LYS 46 -5.932 -10.330 1.139 403 HB2 LYS 46 2HB LYS 46 -8.024 -9.848 0.028 404 HB3 LYS 46 1HB LYS 46 -7.235 -9.724 -1.539 405 HG2 LYS 46 2HG LYS 46 -6.801 -12.135 -1.559 406 HG3 LYS 46 1HG LYS 46 -7.448 -12.288 0.075 407 HD2 LYS 46 2HD LYS 46 -9.043 -13.049 -1.673 408 HD3 LYS 46 1HD LYS 46 -9.684 -11.727 -0.695 409 HE2 LYS 46 2HE LYS 46 -10.202 -11.456 -3.110 410 HE3 LYS 46 1HE LYS 46 -9.216 -10.128 -2.503 411 HZ1 LYS 46 3HZ LYS 46 -8.453 -10.887 -4.651 412 HZ2 LYS 46 1HZ LYS 46 -8.237 -12.457 -4.066 413 HZ3 LYS 46 2HZ LYS 46 -7.272 -11.199 -3.481 414 H SER 47 H SER 47 -4.386 -11.862 0.967 415 HA SER 47 HA SER 47 -2.372 -11.830 -1.072 416 HB2 SER 47 2HB SER 47 -1.542 -13.884 0.079 417 HB3 SER 47 1HB SER 47 -1.863 -12.582 1.227 418 HG SER 47 HG SER 47 -2.660 -14.730 1.786 419 HA PRO 48 HA PRO 48 -4.473 -14.115 -4.308 420 HB2 PRO 48 2HB PRO 48 -2.309 -15.632 -5.301 421 HB3 PRO 48 1HB PRO 48 -2.685 -13.958 -5.749 422 HG2 PRO 48 2HG PRO 48 -0.725 -14.962 -3.713 423 HG3 PRO 48 1HG PRO 48 -0.548 -13.639 -4.889 424 HD2 PRO 48 2HD PRO 48 -1.055 -13.091 -2.324 425 HD3 PRO 48 1HD PRO 48 -1.846 -12.145 -3.606 426 H SER 49 H SER 49 -2.673 -15.899 -1.880 427 HA SER 49 HA SER 49 -3.603 -18.510 -2.365 428 HB2 SER 49 2HB SER 49 -2.872 -17.246 0.308 429 HB3 SER 49 1HB SER 49 -2.883 -18.973 -0.061 430 HG SER 49 HG SER 49 -0.887 -18.661 -0.596 431 H GLY 50 H GLY 50 -4.816 -16.026 -0.049 432 HA2 GLY 50 2HA GLY 50 -7.405 -15.869 -0.281 433 HA3 GLY 50 1HA GLY 50 -7.357 -17.526 0.301 434 H LYS 51 H LYS 51 -5.157 -15.000 1.442 435 HA LYS 51 HA LYS 51 -6.631 -14.822 4.029 436 HB2 LYS 51 2HB LYS 51 -3.640 -14.468 3.513 437 HB3 LYS 51 1HB LYS 51 -4.421 -14.191 5.060 438 HG2 LYS 51 2HG LYS 51 -4.551 -16.905 3.736 439 HG3 LYS 51 1HG LYS 51 -3.129 -16.416 4.649 440 HD2 LYS 51 2HD LYS 51 -4.480 -17.696 6.145 441 HD3 LYS 51 1HD LYS 51 -4.659 -16.017 6.644 442 HE2 LYS 51 2HE LYS 51 -6.808 -17.208 6.732 443 HE3 LYS 51 1HE LYS 51 -6.862 -15.928 5.521 444 HZ1 LYS 51 3HZ LYS 51 -6.524 -18.835 5.021 445 HZ2 LYS 51 1HZ LYS 51 -6.426 -17.648 3.821 446 HZ3 LYS 51 2HZ LYS 51 -7.875 -17.893 4.653 447 H ILE 52 H ILE 52 -6.085 -12.662 5.150 448 HA ILE 52 HA ILE 52 -5.970 -10.399 3.241 449 HB ILE 52 HB ILE 52 -7.672 -10.531 5.779 450 HG12 ILE 52 2HG1 ILE 52 -8.614 -10.421 2.871 451 HG13 ILE 52 1HG1 ILE 52 -8.620 -11.873 3.866 452 HG21 ILE 52 1HG2 ILE 52 -7.416 -8.279 3.742 453 HG22 ILE 52 2HG2 ILE 52 -6.777 -8.261 5.386 454 HG23 ILE 52 3HG2 ILE 52 -8.520 -8.294 5.121 455 HD11 ILE 52 3HD1 ILE 52 -10.828 -10.903 3.728 456 HD12 ILE 52 1HD1 ILE 52 -10.235 -9.374 4.379 457 HD13 ILE 52 2HD1 ILE 52 -10.227 -10.826 5.384 458 H LEU 53 H LEU 53 -3.923 -9.749 3.554 459 HA LEU 53 HA LEU 53 -2.706 -9.449 6.178 460 HB2 LEU 53 2HB LEU 53 -1.688 -8.377 3.515 461 HB3 LEU 53 1HB LEU 53 -0.759 -8.666 4.981 462 HG LEU 53 HG LEU 53 -1.890 -10.740 3.064 463 HD11 LEU 53 1HD1 LEU 53 0.441 -11.412 2.788 464 HD12 LEU 53 2HD1 LEU 53 0.952 -10.130 3.892 465 HD13 LEU 53 3HD1 LEU 53 0.189 -9.724 2.353 466 HD21 LEU 53 3HD2 LEU 53 -0.945 -12.503 4.522 467 HD22 LEU 53 1HD2 LEU 53 -2.261 -11.629 5.303 468 HD23 LEU 53 2HD2 LEU 53 -0.591 -11.290 5.756 469 H LYS 54 H LYS 54 -3.444 -7.818 7.400 470 HA LYS 54 HA LYS 54 -4.511 -5.348 6.222 471 HB2 LYS 54 2HB LYS 54 -4.485 -6.319 9.113 472 HB3 LYS 54 1HB LYS 54 -5.315 -4.882 8.519 473 HG2 LYS 54 2HG LYS 54 -6.809 -6.295 7.156 474 HG3 LYS 54 1HG LYS 54 -5.964 -7.743 7.714 475 HD2 LYS 54 2HD LYS 54 -8.107 -7.365 8.933 476 HD3 LYS 54 1HD LYS 54 -6.710 -7.349 10.010 477 HE2 LYS 54 2HE LYS 54 -6.780 -4.871 10.056 478 HE3 LYS 54 1HE LYS 54 -8.158 -4.888 8.954 479 HZ1 LYS 54 3HZ LYS 54 -9.456 -6.026 10.622 480 HZ2 LYS 54 1HZ LYS 54 -8.827 -4.593 11.263 481 HZ3 LYS 54 2HZ LYS 54 -8.134 -6.081 11.675 482 H GLY 55 H GLY 55 -3.587 -3.338 6.621 483 HA2 GLY 55 2HA GLY 55 -1.097 -3.080 8.138 484 HA3 GLY 55 1HA GLY 55 -0.969 -2.921 6.386 485 H LYS 56 H LYS 56 -0.126 -0.771 7.220 486 HA LYS 56 HA LYS 56 -2.241 1.236 7.009 487 HB2 LYS 56 2HB LYS 56 -2.103 0.811 9.447 488 HB3 LYS 56 1HB LYS 56 -0.370 1.116 9.418 489 HG2 LYS 56 2HG LYS 56 -0.826 3.481 8.740 490 HG3 LYS 56 1HG LYS 56 -2.558 3.155 8.839 491 HD2 LYS 56 2HD LYS 56 -0.579 3.011 11.152 492 HD3 LYS 56 1HD LYS 56 -1.739 4.309 10.864 493 HE2 LYS 56 2HE LYS 56 -3.607 2.728 11.195 494 HE3 LYS 56 1HE LYS 56 -2.457 1.412 11.452 495 HZ1 LYS 56 3HZ LYS 56 -1.597 2.643 13.372 496 HZ2 LYS 56 1HZ LYS 56 -3.226 2.232 13.545 497 HZ3 LYS 56 2HZ LYS 56 -2.795 3.817 13.156 498 H ILE 57 H ILE 57 -1.527 2.934 5.811 499 HA ILE 57 HA ILE 57 1.158 3.142 4.831 500 HB ILE 57 HB ILE 57 -1.077 5.228 4.760 501 HG12 ILE 57 2HG1 ILE 57 -0.275 3.219 2.603 502 HG13 ILE 57 1HG1 ILE 57 -1.667 3.042 3.663 503 HG21 ILE 57 1HG2 ILE 57 0.175 6.262 2.880 504 HG22 ILE 57 2HG2 ILE 57 1.472 5.085 3.091 505 HG23 ILE 57 3HG2 ILE 57 1.135 6.261 4.363 506 HD11 ILE 57 3HD1 ILE 57 -2.376 3.821 1.521 507 HD12 ILE 57 1HD1 ILE 57 -1.260 5.187 1.585 508 HD13 ILE 57 2HD1 ILE 57 -2.623 5.103 2.708 509 H VAL 58 H VAL 58 2.671 3.461 6.384 510 HA VAL 58 HA VAL 58 2.216 5.265 8.654 511 HB VAL 58 HB VAL 58 4.334 4.347 9.565 512 HG11 VAL 58 1HG1 VAL 58 2.419 2.195 8.573 513 HG12 VAL 58 2HG1 VAL 58 2.244 3.150 10.048 514 HG13 VAL 58 3HG1 VAL 58 3.576 2.005 9.894 515 HG21 VAL 58 3HG2 VAL 58 5.582 4.013 7.451 516 HG22 VAL 58 1HG2 VAL 58 4.492 2.698 7.003 517 HG23 VAL 58 2HG2 VAL 58 5.558 2.526 8.401 518 H ARG 59 H ARG 59 4.109 5.097 5.713 519 HA ARG 59 HA ARG 59 4.949 7.876 5.984 520 HB2 ARG 59 2HB ARG 59 6.752 6.430 7.103 521 HB3 ARG 59 1HB ARG 59 7.045 5.678 5.540 522 HG2 ARG 59 2HG ARG 59 8.709 7.442 6.099 523 HG3 ARG 59 1HG ARG 59 7.820 7.798 4.616 524 HD2 ARG 59 2HD ARG 59 8.147 9.788 6.117 525 HD3 ARG 59 1HD ARG 59 6.454 9.445 5.742 526 HE ARG 59 HE ARG 59 7.630 8.440 8.250 527 HH11 ARG 59 1HH1 ARG 59 5.314 10.602 6.714 528 HH12 ARG 59 2HH1 ARG 59 4.488 10.941 8.199 529 HH21 ARG 59 1HH2 ARG 59 6.504 8.876 10.164 530 HH22 ARG 59 2HH2 ARG 59 5.156 9.971 10.144 531 H VAL 60 H VAL 60 5.944 8.606 3.883 532 HA VAL 60 HA VAL 60 4.874 7.132 1.548 533 HB VAL 60 HB VAL 60 5.037 9.219 0.294 534 HG11 VAL 60 1HG1 VAL 60 3.793 9.717 3.026 535 HG12 VAL 60 2HG1 VAL 60 3.023 8.913 1.656 536 HG13 VAL 60 3HG1 VAL 60 3.433 10.624 1.551 537 HG21 VAL 60 3HG2 VAL 60 5.833 11.348 1.288 538 HG22 VAL 60 1HG2 VAL 60 7.124 10.144 1.250 539 HG23 VAL 60 2HG2 VAL 60 6.293 10.496 2.766 540 H HIS 61 H HIS 61 6.310 7.341 -0.428 541 HA HIS 61 HA HIS 61 9.204 7.369 0.157 542 HB2 HIS 61 2HB HIS 61 8.437 4.974 -0.037 543 HB3 HIS 61 1HB HIS 61 7.849 5.316 -1.664 544 HD1 HIS 61 HD1 HIS 61 9.644 5.601 -3.545 545 HD2 HIS 61 HD2 HIS 61 11.248 4.742 0.196 546 HE1 HIS 61 HE1 HIS 61 12.079 5.154 -3.933 547 HE2 HIS 61 HE2 HIS 61 12.978 4.464 -1.692 548 H GLY 62 H GLY 62 10.146 8.862 -1.060 549 HA2 GLY 62 2HA GLY 62 10.743 10.213 -2.797 550 HA3 GLY 62 1HA GLY 62 9.818 9.154 -3.856 551 H THR 63 H THR 63 9.144 10.980 -5.021 552 HA THR 63 HA THR 63 7.017 12.632 -3.784 553 HB THR 63 HB THR 63 7.468 14.287 -5.607 554 HG1 THR 63 HG1 THR 63 8.398 13.221 -7.244 555 HG21 THR 63 3HG2 THR 63 9.964 13.612 -4.001 556 HG22 THR 63 1HG2 THR 63 8.610 14.588 -3.421 557 HG23 THR 63 2HG2 THR 63 9.606 15.165 -4.758 558 H LYS 64 H LYS 64 7.577 10.068 -5.931 559 HA LYS 64 HA LYS 64 5.417 10.804 -7.803 560 HB2 LYS 64 2HB LYS 64 7.646 8.740 -8.008 561 HB3 LYS 64 1HB LYS 64 6.355 8.890 -9.197 562 HG2 LYS 64 2HG LYS 64 8.432 10.994 -8.507 563 HG3 LYS 64 1HG LYS 64 8.350 10.034 -9.989 564 HD2 LYS 64 2HD LYS 64 6.168 11.111 -10.549 565 HD3 LYS 64 1HD LYS 64 6.280 12.081 -9.077 566 HE2 LYS 64 2HE LYS 64 8.405 13.068 -9.978 567 HE3 LYS 64 1HE LYS 64 8.111 12.204 -11.490 568 HZ1 LYS 64 3HZ LYS 64 6.015 13.404 -11.697 569 HZ2 LYS 64 1HZ LYS 64 7.327 14.466 -11.615 570 HZ3 LYS 64 2HZ LYS 64 6.334 14.241 -10.264 571 H GLY 65 H GLY 65 4.446 10.175 -5.369 572 HA2 GLY 65 2HA GLY 65 2.404 9.328 -4.831 573 HA3 GLY 65 1HA GLY 65 2.361 8.531 -6.387 574 H ALA 66 H ALA 66 5.092 7.390 -4.857 575 HA ALA 66 HA ALA 66 3.841 4.857 -4.236 576 HB1 ALA 66 3HB ALA 66 6.729 5.751 -3.901 577 HB2 ALA 66 1HB ALA 66 6.059 4.928 -5.312 578 HB3 ALA 66 2HB ALA 66 6.137 4.093 -3.760 579 H VAL 67 H VAL 67 3.041 4.354 -2.268 580 HA VAL 67 HA VAL 67 3.851 5.882 0.126 581 HB VAL 67 HB VAL 67 1.815 5.017 1.225 582 HG11 VAL 67 1HG1 VAL 67 1.636 7.136 0.002 583 HG12 VAL 67 2HG1 VAL 67 0.112 6.250 -0.070 584 HG13 VAL 67 3HG1 VAL 67 1.186 6.274 -1.473 585 HG21 VAL 67 3HG2 VAL 67 0.088 3.743 -0.022 586 HG22 VAL 67 1HG2 VAL 67 1.593 2.832 0.115 587 HG23 VAL 67 2HG2 VAL 67 1.176 3.620 -1.407 588 H ARG 68 H ARG 68 4.051 4.657 2.118 589 HA ARG 68 HA ARG 68 5.307 1.998 1.796 590 HB2 ARG 68 2HB ARG 68 7.095 3.540 2.140 591 HB3 ARG 68 1HB ARG 68 6.211 4.448 3.356 592 HG2 ARG 68 2HG ARG 68 6.621 2.848 5.043 593 HG3 ARG 68 1HG ARG 68 6.999 1.584 3.879 594 HD2 ARG 68 2HD ARG 68 8.740 4.027 4.340 595 HD3 ARG 68 1HD ARG 68 8.998 2.463 5.121 596 HE ARG 68 HE ARG 68 8.903 1.847 2.469 597 HH11 ARG 68 1HH1 ARG 68 10.904 4.081 4.310 598 HH12 ARG 68 2HH1 ARG 68 12.251 3.938 3.229 599 HH21 ARG 68 1HH2 ARG 68 10.680 1.680 1.073 600 HH22 ARG 68 2HH2 ARG 68 12.123 2.583 1.403 601 H ALA 69 H ALA 69 3.858 0.625 2.590 602 HA ALA 69 HA ALA 69 2.277 1.339 4.990 603 HB1 ALA 69 3HB ALA 69 0.934 0.970 2.964 604 HB2 ALA 69 1HB ALA 69 0.597 -0.267 4.177 605 HB3 ALA 69 2HB ALA 69 1.618 -0.647 2.786 606 H ARG 70 H ARG 70 2.649 0.260 6.797 607 HA ARG 70 HA ARG 70 4.337 -2.125 6.930 608 HB2 ARG 70 2HB ARG 70 3.195 -0.172 8.965 609 HB3 ARG 70 1HB ARG 70 3.844 -1.717 9.503 610 HG2 ARG 70 2HG ARG 70 5.481 0.199 7.819 611 HG3 ARG 70 1HG ARG 70 5.416 0.309 9.578 612 HD2 ARG 70 2HD ARG 70 6.307 -2.128 8.005 613 HD3 ARG 70 1HD ARG 70 7.371 -0.969 8.810 614 HE ARG 70 HE ARG 70 5.360 -2.450 10.381 615 HH11 ARG 70 1HH1 ARG 70 8.751 -1.860 9.678 616 HH12 ARG 70 2HH1 ARG 70 9.306 -2.696 11.090 617 HH21 ARG 70 1HH2 ARG 70 6.098 -3.498 12.243 618 HH22 ARG 70 2HH2 ARG 70 7.802 -3.624 12.541 619 H PHE 71 H PHE 71 3.333 -4.025 6.609 620 HA PHE 71 HA PHE 71 0.506 -4.391 7.339 621 HB2 PHE 71 2HB PHE 71 2.439 -6.021 5.645 622 HB3 PHE 71 1HB PHE 71 0.853 -6.638 6.113 623 HD1 PHE 71 HD1 PHE 71 2.593 -3.999 4.118 624 HD2 PHE 71 HD2 PHE 71 -1.169 -5.799 5.112 625 HE1 PHE 71 HE1 PHE 71 1.502 -2.749 2.317 626 HE2 PHE 71 HE2 PHE 71 -2.239 -4.549 3.295 627 HZ PHE 71 HZ PHE 71 -0.908 -3.019 1.903 628 H GLU 72 H GLU 72 -0.124 -6.453 8.353 629 HA GLU 72 HA GLU 72 1.163 -6.932 10.843 630 HB2 GLU 72 2HB GLU 72 -0.511 -8.819 11.051 631 HB3 GLU 72 1HB GLU 72 -1.238 -7.261 10.669 632 HG2 GLU 72 2HG GLU 72 -1.581 -7.893 8.362 633 HG3 GLU 72 1HG GLU 72 -0.635 -9.364 8.562 634 H LYS 73 H LYS 73 1.196 -8.576 7.736 635 HA LYS 73 HA LYS 73 3.167 -10.563 8.697 636 HB2 LYS 73 2HB LYS 73 1.073 -10.921 6.504 637 HB3 LYS 73 1HB LYS 73 2.260 -12.127 6.996 638 HG2 LYS 73 2HG LYS 73 0.032 -11.045 8.763 639 HG3 LYS 73 1HG LYS 73 -0.017 -12.576 7.892 640 HD2 LYS 73 2HD LYS 73 1.980 -11.867 10.084 641 HD3 LYS 73 1HD LYS 73 0.535 -12.860 10.295 642 HE2 LYS 73 2HE LYS 73 2.905 -13.526 8.512 643 HE3 LYS 73 1HE LYS 73 2.526 -14.271 10.063 644 HZ1 LYS 73 3HZ LYS 73 0.456 -15.092 9.090 645 HZ2 LYS 73 1HZ LYS 73 1.815 -15.673 8.273 646 HZ3 LYS 73 2HZ LYS 73 0.884 -14.438 7.595 647 H GLY 74 H GLY 74 1.948 -9.295 5.563 648 HA2 GLY 74 2HA GLY 74 3.040 -8.488 3.712 649 HA3 GLY 74 1HA GLY 74 4.464 -8.226 4.714 650 H LEU 75 H LEU 75 2.570 -10.995 3.509 651 HA LEU 75 HA LEU 75 4.704 -12.848 3.609 652 HB2 LEU 75 2HB LEU 75 1.971 -12.954 2.291 653 HB3 LEU 75 1HB LEU 75 3.077 -14.321 2.290 654 HG LEU 75 HG LEU 75 1.922 -13.018 4.790 655 HD11 LEU 75 1HD1 LEU 75 1.193 -15.657 3.493 656 HD12 LEU 75 2HD1 LEU 75 0.195 -14.201 3.540 657 HD13 LEU 75 3HD1 LEU 75 0.582 -15.047 5.035 658 HD21 LEU 75 3HD2 LEU 75 2.905 -14.935 5.999 659 HD22 LEU 75 1HD2 LEU 75 4.147 -13.960 5.210 660 HD23 LEU 75 2HD2 LEU 75 3.659 -15.501 4.502 661 HA PRO 76 HA PRO 76 6.708 -11.603 -0.245 662 HB2 PRO 76 2HB PRO 76 8.589 -13.603 -0.364 663 HB3 PRO 76 1HB PRO 76 8.687 -12.287 0.824 664 HG2 PRO 76 2HG PRO 76 7.596 -15.072 1.204 665 HG3 PRO 76 1HG PRO 76 8.713 -14.170 2.250 666 HD2 PRO 76 2HD PRO 76 6.095 -14.311 2.823 667 HD3 PRO 76 1HD PRO 76 7.031 -12.836 3.152 668 H GLY 77 H GLY 77 7.383 -12.687 -2.360 669 HA2 GLY 77 2HA GLY 77 6.948 -14.722 -3.790 670 HA3 GLY 77 1HA GLY 77 5.269 -14.573 -3.282 671 H GLN 78 H GLN 78 5.663 -14.580 -5.899 672 HA GLN 78 HA GLN 78 5.923 -11.867 -6.941 673 HB2 GLN 78 2HB GLN 78 6.931 -13.785 -8.181 674 HB3 GLN 78 1HB GLN 78 5.327 -14.468 -8.417 675 HG2 GLN 78 2HG GLN 78 4.683 -12.576 -9.833 676 HG3 GLN 78 1HG GLN 78 6.213 -11.770 -9.494 677 HE21 GLN 78 1HE2 GLN 78 4.722 -14.499 -11.151 678 HE22 GLN 78 2HE2 GLN 78 6.020 -14.758 -12.263 679 H ALA 79 H ALA 79 4.096 -11.358 -5.449 680 HA ALA 79 HA ALA 79 1.459 -11.549 -6.803 681 HB1 ALA 79 3HB ALA 79 1.494 -12.502 -4.527 682 HB2 ALA 79 1HB ALA 79 0.493 -11.050 -4.584 683 HB3 ALA 79 2HB ALA 79 2.112 -10.979 -3.884 684 H LEU 80 H LEU 80 3.920 -9.741 -7.145 685 HA LEU 80 HA LEU 80 3.139 -7.091 -6.352 686 HB2 LEU 80 2HB LEU 80 5.241 -7.886 -8.405 687 HB3 LEU 80 1HB LEU 80 5.130 -6.359 -7.544 688 HG LEU 80 HG LEU 80 5.886 -9.062 -6.350 689 HD11 LEU 80 1HD1 LEU 80 8.083 -8.041 -5.966 690 HD12 LEU 80 2HD1 LEU 80 7.551 -6.563 -6.774 691 HD13 LEU 80 3HD1 LEU 80 7.671 -8.074 -7.681 692 HD21 LEU 80 3HD2 LEU 80 4.609 -7.841 -4.688 693 HD22 LEU 80 1HD2 LEU 80 5.576 -6.388 -4.945 694 HD23 LEU 80 2HD2 LEU 80 6.311 -7.828 -4.236 695 H GLY 81 H GLY 81 1.718 -5.845 -7.405 696 HA2 GLY 81 2HA GLY 81 1.058 -4.775 -9.524 697 HA3 GLY 81 1HA GLY 81 1.057 -6.368 -10.265 698 H ASP 82 H ASP 82 -0.088 -6.969 -7.299 699 HA ASP 82 HA ASP 82 -2.836 -7.215 -8.160 700 HB2 ASP 82 2HB ASP 82 -1.466 -8.889 -6.724 701 HB3 ASP 82 1HB ASP 82 -1.710 -7.786 -5.373 702 H TYR 83 H TYR 83 -4.671 -6.309 -6.889 703 HA TYR 83 HA TYR 83 -4.164 -3.505 -6.198 704 HB2 TYR 83 2HB TYR 83 -6.688 -5.051 -6.897 705 HB3 TYR 83 1HB TYR 83 -6.754 -3.402 -6.279 706 HD1 TYR 83 HD1 TYR 83 -5.469 -5.489 -9.123 707 HD2 TYR 83 HD2 TYR 83 -6.309 -1.529 -7.722 708 HE1 TYR 83 HE1 TYR 83 -5.076 -4.608 -11.380 709 HE2 TYR 83 HE2 TYR 83 -5.914 -0.662 -9.986 710 HH TYR 83 HH TYR 83 -5.707 -2.620 -12.722 711 H VAL 84 H VAL 84 -4.370 -2.679 -4.247 712 HA VAL 84 HA VAL 84 -5.188 -4.322 -1.945 713 HB VAL 84 HB VAL 84 -3.970 -2.812 -0.515 714 HG11 VAL 84 1HG1 VAL 84 -2.267 -3.273 -2.988 715 HG12 VAL 84 2HG1 VAL 84 -2.487 -4.374 -1.629 716 HG13 VAL 84 3HG1 VAL 84 -1.643 -2.850 -1.388 717 HG21 VAL 84 3HG2 VAL 84 -2.860 -0.734 -1.248 718 HG22 VAL 84 1HG2 VAL 84 -4.605 -0.653 -1.501 719 HG23 VAL 84 2HG2 VAL 84 -3.529 -0.945 -2.866 720 H GLU 85 H GLU 85 -6.738 -3.464 -0.505 721 HA GLU 85 HA GLU 85 -8.519 -1.357 -1.589 722 HB2 GLU 85 2HB GLU 85 -9.162 -3.628 0.348 723 HB3 GLU 85 1HB GLU 85 -10.315 -2.516 -0.380 724 HG2 GLU 85 2HG GLU 85 -8.639 -4.499 -1.958 725 HG3 GLU 85 1HG GLU 85 -10.275 -4.821 -1.396 726 H ILE 86 H ILE 86 -8.035 0.503 -0.551 727 HA ILE 86 HA ILE 86 -6.953 0.471 2.185 728 HB ILE 86 HB ILE 86 -7.013 2.760 0.173 729 HG12 ILE 86 2HG1 ILE 86 -4.680 0.954 0.951 730 HG13 ILE 86 1HG1 ILE 86 -5.565 0.859 -0.567 731 HG21 ILE 86 1HG2 ILE 86 -5.403 3.888 1.685 732 HG22 ILE 86 2HG2 ILE 86 -5.551 2.550 2.826 733 HG23 ILE 86 3HG2 ILE 86 -6.944 3.579 2.493 734 HD11 ILE 86 3HD1 ILE 86 -3.447 1.981 -0.865 735 HD12 ILE 86 1HD1 ILE 86 -3.868 3.186 0.353 736 HD13 ILE 86 2HD1 ILE 86 -4.774 3.102 -1.161 737 H VAL 87 H VAL 87 -8.545 0.478 3.594 738 HA VAL 87 HA VAL 87 -10.962 2.115 3.290 739 HB VAL 87 HB VAL 87 -10.216 0.037 5.405 740 HG11 VAL 87 1HG1 VAL 87 -12.584 0.084 6.078 741 HG12 VAL 87 2HG1 VAL 87 -12.901 1.358 4.899 742 HG13 VAL 87 3HG1 VAL 87 -11.843 1.675 6.274 743 HG21 VAL 87 3HG2 VAL 87 -11.794 -1.484 4.254 744 HG22 VAL 87 1HG2 VAL 87 -10.471 -1.009 3.182 745 HG23 VAL 87 2HG2 VAL 87 -12.063 -0.267 3.006 746 H LEU 88 H LEU 88 -11.237 3.991 4.424 747 HA LEU 88 HA LEU 88 -9.609 4.461 6.847 748 HB2 LEU 88 2HB LEU 88 -9.138 6.058 4.962 749 HB3 LEU 88 1HB LEU 88 -10.804 6.588 5.014 750 HG LEU 88 HG LEU 88 -9.039 8.110 6.135 751 HD11 LEU 88 1HD1 LEU 88 -11.424 8.478 6.536 752 HD12 LEU 88 2HD1 LEU 88 -10.465 8.832 7.971 753 HD13 LEU 88 3HD1 LEU 88 -11.391 7.331 7.878 754 HD21 LEU 88 3HD2 LEU 88 -8.308 7.577 8.408 755 HD22 LEU 88 1HD2 LEU 88 -7.751 6.346 7.275 756 HD23 LEU 88 2HD2 LEU 88 -9.123 6.013 8.336 757 H GLU 89 H GLU 89 -10.738 4.443 8.650 758 HA GLU 89 HA GLU 89 -13.453 5.361 8.928 759 HB2 GLU 89 2HB GLU 89 -14.338 3.168 9.810 760 HB3 GLU 89 1HB GLU 89 -13.999 3.137 8.086 761 HG2 GLU 89 2HG GLU 89 -12.001 1.836 8.407 762 HG3 GLU 89 1HG GLU 89 -12.056 2.064 10.153 763 H HIS 90 H HIS 90 -10.672 3.629 10.238 764 HA HIS 90 HA HIS 90 -11.301 4.113 13.003 765 HB2 HIS 90 2HB HIS 90 -9.975 2.117 12.112 766 HB3 HIS 90 1HB HIS 90 -8.623 3.214 11.845 767 HD1 HIS 90 HD1 HIS 90 -10.309 1.218 14.440 768 HD2 HIS 90 HD2 HIS 90 -7.509 4.286 14.302 769 HE1 HIS 90 HE1 HIS 90 -9.224 1.248 16.701 770 HE2 HIS 90 HE2 HIS 90 -7.729 3.274 16.664 771 H HIS 91 H HIS 91 -11.426 6.258 13.381 772 HA HIS 91 HA HIS 91 -9.300 8.133 12.645 773 HB2 HIS 91 2HB HIS 91 -10.921 9.821 13.731 774 HB3 HIS 91 1HB HIS 91 -11.487 9.024 12.272 775 HD1 HIS 91 HD1 HIS 91 -13.382 7.228 12.547 776 HD2 HIS 91 HD2 HIS 91 -12.510 9.349 16.010 777 HE1 HIS 91 HE1 HIS 91 -15.278 6.774 14.113 778 HE2 HIS 91 HE2 HIS 91 -14.662 7.956 16.244 Start of MODEL 9 1 H1 MET 1 1H MET 1 -14.773 6.822 1.462 2 H2 MET 1 2H MET 1 -15.691 5.795 0.480 3 H3 MET 1 3H MET 1 -15.731 7.459 0.228 4 HA MET 1 HA MET 1 -14.401 6.184 -1.376 5 HB2 MET 1 2HB MET 1 -14.053 8.601 -1.103 6 HB3 MET 1 1HB MET 1 -12.982 8.327 0.268 7 HG2 MET 1 2HG MET 1 -11.765 8.880 -1.835 8 HG3 MET 1 1HG MET 1 -11.314 7.300 -1.183 9 HE1 MET 1 3HE MET 1 -11.049 6.540 -4.992 10 HE2 MET 1 1HE MET 1 -10.264 6.423 -3.419 11 HE3 MET 1 2HE MET 1 -10.538 8.006 -4.153 12 H ARG 2 H ARG 2 -13.271 4.362 -1.513 13 HA ARG 2 HA ARG 2 -11.008 3.851 0.347 14 HB2 ARG 2 2HB ARG 2 -12.578 1.796 -1.288 15 HB3 ARG 2 1HB ARG 2 -11.248 1.443 -0.186 16 HG2 ARG 2 2HG ARG 2 -12.603 2.085 1.736 17 HG3 ARG 2 1HG ARG 2 -13.908 2.639 0.681 18 HD2 ARG 2 2HD ARG 2 -12.937 -0.228 0.987 19 HD3 ARG 2 1HD ARG 2 -14.444 0.436 1.624 20 HE ARG 2 HE ARG 2 -15.038 0.870 -0.807 21 HH11 ARG 2 1HH1 ARG 2 -12.956 -1.827 0.101 22 HH12 ARG 2 2HH1 ARG 2 -13.374 -2.773 -1.292 23 HH21 ARG 2 1HH2 ARG 2 -15.547 -0.377 -2.641 24 HH22 ARG 2 2HH2 ARG 2 -14.844 -1.950 -2.843 25 H ILE 3 H ILE 3 -9.035 3.835 -0.657 26 HA ILE 3 HA ILE 3 -8.928 4.488 -3.517 27 HB ILE 3 HB ILE 3 -6.812 4.706 -1.320 28 HG12 ILE 3 2HG1 ILE 3 -8.451 6.839 -2.763 29 HG13 ILE 3 1HG1 ILE 3 -8.580 6.387 -1.070 30 HG21 ILE 3 1HG2 ILE 3 -5.399 5.900 -2.972 31 HG22 ILE 3 2HG2 ILE 3 -6.577 5.532 -4.229 32 HG23 ILE 3 3HG2 ILE 3 -5.695 4.225 -3.445 33 HD11 ILE 3 3HD1 ILE 3 -6.257 7.787 -2.388 34 HD12 ILE 3 1HD1 ILE 3 -6.294 7.249 -0.705 35 HD13 ILE 3 2HD1 ILE 3 -7.431 8.472 -1.264 36 H LYS 4 H LYS 4 -8.247 3.032 -4.972 37 HA LYS 4 HA LYS 4 -7.412 0.359 -4.118 38 HB2 LYS 4 2HB LYS 4 -9.221 0.651 -5.809 39 HB3 LYS 4 1HB LYS 4 -8.094 1.479 -6.874 40 HG2 LYS 4 2HG LYS 4 -6.785 -0.573 -7.149 41 HG3 LYS 4 1HG LYS 4 -7.829 -1.418 -5.995 42 HD2 LYS 4 2HD LYS 4 -9.766 -1.050 -7.526 43 HD3 LYS 4 1HD LYS 4 -8.694 -0.261 -8.679 44 HE2 LYS 4 2HE LYS 4 -7.479 -2.336 -9.005 45 HE3 LYS 4 1HE LYS 4 -8.446 -3.136 -7.762 46 HZ1 LYS 4 3HZ LYS 4 -10.411 -2.763 -9.143 47 HZ2 LYS 4 1HZ LYS 4 -9.251 -3.691 -9.949 48 HZ3 LYS 4 2HZ LYS 4 -9.452 -2.058 -10.341 49 H GLY 5 H GLY 5 -5.347 -0.413 -4.400 50 HA2 GLY 5 2HA GLY 5 -3.330 1.302 -5.772 51 HA3 GLY 5 1HA GLY 5 -3.055 0.638 -4.164 52 H VAL 6 H VAL 6 -1.296 0.135 -6.212 53 HA VAL 6 HA VAL 6 -1.606 -2.781 -6.688 54 HB VAL 6 HB VAL 6 -0.233 -0.798 -8.583 55 HG11 VAL 6 1HG1 VAL 6 -0.724 -3.781 -8.912 56 HG12 VAL 6 2HG1 VAL 6 0.835 -3.004 -8.623 57 HG13 VAL 6 3HG1 VAL 6 -0.027 -2.711 -10.133 58 HG21 VAL 6 3HG2 VAL 6 -2.667 -0.509 -8.695 59 HG22 VAL 6 1HG2 VAL 6 -2.883 -2.239 -8.968 60 HG23 VAL 6 2HG2 VAL 6 -2.067 -1.248 -10.179 61 H VAL 7 H VAL 7 0.148 -3.990 -6.074 62 HA VAL 7 HA VAL 7 2.184 -2.862 -4.408 63 HB VAL 7 HB VAL 7 2.042 -5.685 -5.559 64 HG11 VAL 7 1HG1 VAL 7 3.499 -4.688 -3.084 65 HG12 VAL 7 2HG1 VAL 7 4.244 -5.165 -4.611 66 HG13 VAL 7 3HG1 VAL 7 3.406 -6.366 -3.629 67 HG21 VAL 7 3HG2 VAL 7 -0.066 -5.171 -4.416 68 HG22 VAL 7 1HG2 VAL 7 0.811 -4.674 -2.964 69 HG23 VAL 7 2HG2 VAL 7 0.860 -6.358 -3.497 70 H LEU 8 H LEU 8 3.930 -1.815 -5.182 71 HA LEU 8 HA LEU 8 4.923 -2.158 -7.895 72 HB2 LEU 8 2HB LEU 8 5.954 -0.400 -5.626 73 HB3 LEU 8 1HB LEU 8 6.551 -0.358 -7.279 74 HG LEU 8 HG LEU 8 3.767 0.443 -6.351 75 HD11 LEU 8 1HD1 LEU 8 4.426 2.718 -6.987 76 HD12 LEU 8 2HD1 LEU 8 6.046 2.151 -7.402 77 HD13 LEU 8 3HD1 LEU 8 5.479 2.070 -5.733 78 HD21 LEU 8 3HD2 LEU 8 3.606 -0.567 -8.562 79 HD22 LEU 8 1HD2 LEU 8 4.910 0.461 -9.169 80 HD23 LEU 8 2HD2 LEU 8 3.371 1.174 -8.678 81 H SER 9 H SER 9 6.400 -2.404 -4.628 82 HA SER 9 HA SER 9 8.224 -4.522 -5.461 83 HB2 SER 9 2HB SER 9 9.389 -2.467 -6.262 84 HB3 SER 9 1HB SER 9 9.303 -1.781 -4.640 85 HG SER 9 HG SER 9 10.738 -4.090 -5.477 86 H TYR 10 H TYR 10 9.501 -5.362 -3.623 87 HA TYR 10 HA TYR 10 8.078 -5.128 -1.077 88 HB2 TYR 10 2HB TYR 10 10.406 -6.977 -1.767 89 HB3 TYR 10 1HB TYR 10 9.349 -7.094 -0.369 90 HD1 TYR 10 HD2 TYR 10 6.669 -7.145 -1.178 91 HD2 TYR 10 HD1 TYR 10 10.040 -8.609 -3.368 92 HE1 TYR 10 HE2 TYR 10 5.202 -8.669 -2.451 93 HE2 TYR 10 HE1 TYR 10 8.580 -10.112 -4.617 94 HH TYR 10 HH TYR 10 6.453 -11.173 -4.407 95 H ARG 11 H ARG 11 9.109 -4.682 0.878 96 HA ARG 11 HA ARG 11 11.999 -4.124 0.920 97 HB2 ARG 11 2HB ARG 11 10.902 -1.916 1.026 98 HB3 ARG 11 1HB ARG 11 9.839 -2.464 2.312 99 HG2 ARG 11 2HG ARG 11 11.647 -1.010 3.154 100 HG3 ARG 11 1HG ARG 11 11.725 -2.626 3.860 101 HD2 ARG 11 2HD ARG 11 13.961 -1.767 3.264 102 HD3 ARG 11 1HD ARG 11 13.562 -3.222 2.348 103 HE ARG 11 HE ARG 11 13.078 -0.600 1.114 104 HH11 ARG 11 1HH1 ARG 11 15.093 -3.504 1.177 105 HH12 ARG 11 2HH1 ARG 11 15.805 -3.174 -0.370 106 HH21 ARG 11 1HH2 ARG 11 14.014 -0.226 -0.940 107 HH22 ARG 11 2HH2 ARG 11 15.200 -1.333 -1.560 108 H ARG 12 H ARG 12 12.800 -5.756 2.140 109 HA ARG 12 HA ARG 12 10.993 -7.523 3.503 110 HB2 ARG 12 2HB ARG 12 12.913 -8.979 3.862 111 HB3 ARG 12 1HB ARG 12 12.968 -8.359 2.218 112 HG2 ARG 12 2HG ARG 12 14.678 -6.702 2.915 113 HG3 ARG 12 1HG ARG 12 14.640 -7.368 4.547 114 HD2 ARG 12 2HD ARG 12 15.366 -9.575 3.604 115 HD3 ARG 12 1HD ARG 12 15.517 -8.808 2.019 116 HE ARG 12 HE ARG 12 17.049 -7.263 3.678 117 HH11 ARG 12 1HH1 ARG 12 17.078 -10.687 2.814 118 HH12 ARG 12 2HH1 ARG 12 18.789 -10.851 3.077 119 HH21 ARG 12 1HH2 ARG 12 19.260 -7.517 4.060 120 HH22 ARG 12 2HH2 ARG 12 20.024 -9.052 3.785 121 H SER 13 H SER 13 11.310 -8.294 5.688 122 HA SER 13 HA SER 13 11.263 -6.183 7.584 123 HB2 SER 13 2HB SER 13 11.235 -9.190 8.018 124 HB3 SER 13 1HB SER 13 10.719 -7.967 9.179 125 HG SER 13 HG SER 13 8.974 -8.896 8.016 126 H LYS 14 H LYS 14 12.450 -6.535 9.766 127 HA LYS 14 HA LYS 14 15.096 -5.702 9.194 128 HB2 LYS 14 2HB LYS 14 13.693 -4.697 10.955 129 HB3 LYS 14 1HB LYS 14 13.746 -6.198 11.873 130 HG2 LYS 14 2HG LYS 14 16.249 -5.899 12.070 131 HG3 LYS 14 1HG LYS 14 16.070 -4.320 11.300 132 HD2 LYS 14 2HD LYS 14 14.749 -5.170 13.907 133 HD3 LYS 14 1HD LYS 14 16.183 -4.152 13.781 134 HE2 LYS 14 2HE LYS 14 14.914 -2.380 12.728 135 HE3 LYS 14 1HE LYS 14 13.489 -3.416 12.581 136 HZ1 LYS 14 3HZ LYS 14 14.696 -2.443 15.118 137 HZ2 LYS 14 1HZ LYS 14 13.386 -3.504 15.017 138 HZ3 LYS 14 2HZ LYS 14 13.235 -1.926 14.438 139 H GLU 15 H GLU 15 14.164 -8.290 11.533 140 HA GLU 15 HA GLU 15 16.718 -9.701 10.979 141 HB2 GLU 15 2HB GLU 15 17.000 -8.175 12.962 142 HB3 GLU 15 1HB GLU 15 15.659 -8.984 13.760 143 HG2 GLU 15 2HG GLU 15 17.681 -9.850 14.706 144 HG3 GLU 15 1HG GLU 15 16.998 -11.119 13.696 145 H ASN 16 H ASN 16 14.017 -9.982 13.298 146 HA ASN 16 HA ASN 16 12.837 -12.165 11.734 147 HB2 ASN 16 2HB ASN 16 14.145 -13.279 13.571 148 HB3 ASN 16 1HB ASN 16 13.265 -12.327 14.765 149 HD21 ASN 16 1HD2 ASN 16 12.387 -14.144 15.772 150 HD22 ASN 16 2HD2 ASN 16 11.168 -15.124 15.043 151 H GLN 17 H GLN 17 11.216 -10.847 11.077 152 HA GLN 17 HA GLN 17 9.343 -9.705 13.027 153 HB2 GLN 17 2HB GLN 17 10.989 -7.902 12.619 154 HB3 GLN 17 1HB GLN 17 10.801 -8.077 10.883 155 HG2 GLN 17 2HG GLN 17 9.617 -6.096 11.653 156 HG3 GLN 17 1HG GLN 17 8.458 -7.289 11.065 157 HE21 GLN 17 1HE2 GLN 17 9.714 -5.662 13.897 158 HE22 GLN 17 2HE2 GLN 17 8.447 -6.124 14.975 159 H HIS 18 H HIS 18 7.278 -9.868 12.295 160 HA HIS 18 HA HIS 18 6.818 -11.008 9.624 161 HB2 HIS 18 2HB HIS 18 5.110 -10.885 12.130 162 HB3 HIS 18 1HB HIS 18 4.437 -11.363 10.571 163 HD1 HIS 18 HD1 HIS 18 4.566 -13.769 10.061 164 HD2 HIS 18 HD2 HIS 18 7.446 -12.672 12.844 165 HE1 HIS 18 HE1 HIS 18 5.684 -15.901 10.744 166 HE2 HIS 18 HE2 HIS 18 7.574 -15.175 12.223 167 H ASN 19 H ASN 19 6.548 -7.979 11.220 168 HA ASN 19 HA ASN 19 4.618 -6.839 9.414 169 HB2 ASN 19 2HB ASN 19 6.646 -5.517 11.259 170 HB3 ASN 19 1HB ASN 19 5.503 -4.612 10.266 171 HD21 ASN 19 1HD2 ASN 19 3.264 -4.751 10.757 172 HD22 ASN 19 2HD2 ASN 19 2.715 -5.279 12.307 173 H ASN 20 H ASN 20 5.408 -7.697 7.460 174 HA ASN 20 HA ASN 20 7.947 -6.838 6.352 175 HB2 ASN 20 2HB ASN 20 7.094 -9.068 5.761 176 HB3 ASN 20 1HB ASN 20 5.633 -8.361 5.080 177 HD21 ASN 20 1HD2 ASN 20 5.755 -7.346 3.030 178 HD22 ASN 20 2HD2 ASN 20 7.128 -7.507 1.997 179 H VAL 21 H VAL 21 8.257 -5.247 4.896 180 HA VAL 21 HA VAL 21 6.120 -3.238 4.607 181 HB VAL 21 HB VAL 21 9.071 -2.859 3.939 182 HG11 VAL 21 1HG1 VAL 21 6.945 -0.883 4.811 183 HG12 VAL 21 2HG1 VAL 21 7.561 -1.102 3.170 184 HG13 VAL 21 3HG1 VAL 21 8.627 -0.493 4.438 185 HG21 VAL 21 3HG2 VAL 21 7.876 -2.551 6.715 186 HG22 VAL 21 1HG2 VAL 21 9.484 -2.004 6.235 187 HG23 VAL 21 2HG2 VAL 21 9.091 -3.725 6.218 188 H MET 22 H MET 22 5.565 -2.457 2.491 189 HA MET 22 HA MET 22 7.265 -3.114 0.251 190 HB2 MET 22 2HB MET 22 5.563 -4.145 -1.175 191 HB3 MET 22 1HB MET 22 5.850 -5.113 0.257 192 HG2 MET 22 2HG MET 22 3.732 -4.237 1.229 193 HG3 MET 22 1HG MET 22 3.442 -3.361 -0.282 194 HE1 MET 22 3HE MET 22 1.248 -5.504 0.806 195 HE2 MET 22 1HE MET 22 0.886 -6.308 -0.720 196 HE3 MET 22 2HE MET 22 1.106 -4.558 -0.677 197 H ILE 23 H ILE 23 7.183 -1.674 -1.367 198 HA ILE 23 HA ILE 23 5.816 0.830 -0.972 199 HB ILE 23 HB ILE 23 7.491 -0.088 -3.362 200 HG12 ILE 23 2HG1 ILE 23 8.845 -0.133 -1.296 201 HG13 ILE 23 1HG1 ILE 23 9.372 1.174 -2.345 202 HG21 ILE 23 1HG2 ILE 23 6.050 1.813 -3.946 203 HG22 ILE 23 2HG2 ILE 23 7.738 2.323 -3.883 204 HG23 ILE 23 3HG2 ILE 23 6.647 2.724 -2.554 205 HD11 ILE 23 3HD1 ILE 23 8.159 2.780 -0.920 206 HD12 ILE 23 1HD1 ILE 23 9.380 1.865 -0.035 207 HD13 ILE 23 2HD1 ILE 23 7.677 1.449 0.137 208 H ILE 24 H ILE 24 3.836 1.227 -1.653 209 HA ILE 24 HA ILE 24 2.568 -0.369 -3.822 210 HB ILE 24 HB ILE 24 1.294 0.941 -1.366 211 HG12 ILE 24 2HG1 ILE 24 1.586 -2.026 -2.027 212 HG13 ILE 24 1HG1 ILE 24 2.559 -1.153 -0.849 213 HG21 ILE 24 1HG2 ILE 24 -0.842 -0.054 -2.068 214 HG22 ILE 24 2HG2 ILE 24 -0.087 -0.683 -3.533 215 HG23 ILE 24 3HG2 ILE 24 -0.237 1.059 -3.298 216 HD11 ILE 24 3HD1 ILE 24 0.850 -2.443 0.247 217 HD12 ILE 24 1HD1 ILE 24 -0.415 -1.642 -0.683 218 HD13 ILE 24 2HD1 ILE 24 0.546 -0.725 0.481 219 H LYS 25 H LYS 25 1.405 0.803 -5.377 220 HA LYS 25 HA LYS 25 1.537 3.754 -5.336 221 HB2 LYS 25 2HB LYS 25 2.610 2.753 -7.306 222 HB3 LYS 25 1HB LYS 25 1.164 1.813 -7.657 223 HG2 LYS 25 2HG LYS 25 -0.086 3.898 -8.104 224 HG3 LYS 25 1HG LYS 25 1.365 4.841 -7.747 225 HD2 LYS 25 2HD LYS 25 2.519 3.733 -9.665 226 HD3 LYS 25 1HD LYS 25 1.031 2.854 -10.029 227 HE2 LYS 25 2HE LYS 25 -0.125 4.976 -10.477 228 HE3 LYS 25 1HE LYS 25 1.339 5.873 -10.063 229 HZ1 LYS 25 3HZ LYS 25 1.016 3.982 -12.324 230 HZ2 LYS 25 1HZ LYS 25 2.466 4.735 -11.895 231 HZ3 LYS 25 2HZ LYS 25 1.162 5.665 -12.423 232 HA PRO 26 HA PRO 26 -3.059 3.331 -4.717 233 HB2 PRO 26 2HB PRO 26 -3.218 6.048 -3.989 234 HB3 PRO 26 1HB PRO 26 -3.068 4.702 -2.844 235 HG2 PRO 26 2HG PRO 26 -0.948 6.533 -3.885 236 HG3 PRO 26 1HG PRO 26 -1.155 5.860 -2.250 237 HD2 PRO 26 2HD PRO 26 0.677 4.862 -3.962 238 HD3 PRO 26 1HD PRO 26 -0.200 3.813 -2.827 239 H LEU 27 H LEU 27 -3.987 3.341 -6.687 240 HA LEU 27 HA LEU 27 -3.072 4.616 -9.000 241 HB2 LEU 27 2HB LEU 27 -5.844 3.497 -8.413 242 HB3 LEU 27 1HB LEU 27 -5.248 3.895 -10.020 243 HG LEU 27 HG LEU 27 -4.123 1.727 -8.200 244 HD11 LEU 27 1HD1 LEU 27 -5.761 1.445 -10.740 245 HD12 LEU 27 2HD1 LEU 27 -6.317 1.123 -9.096 246 HD13 LEU 27 3HD1 LEU 27 -5.049 0.125 -9.803 247 HD21 LEU 27 3HD2 LEU 27 -2.329 2.661 -9.536 248 HD22 LEU 27 1HD2 LEU 27 -3.286 2.511 -11.014 249 HD23 LEU 27 2HD2 LEU 27 -2.746 1.068 -10.154 250 H ASP 28 H ASP 28 -5.489 5.620 -6.661 251 HA ASP 28 HA ASP 28 -6.600 7.840 -8.060 252 HB2 ASP 28 2HB ASP 28 -7.854 6.808 -6.251 253 HB3 ASP 28 1HB ASP 28 -6.552 7.087 -5.107 254 H VAL 29 H VAL 29 -3.677 7.435 -6.251 255 HA VAL 29 HA VAL 29 -3.283 10.356 -5.853 256 HB VAL 29 HB VAL 29 -2.409 7.926 -4.244 257 HG11 VAL 29 1HG1 VAL 29 -1.327 10.735 -3.933 258 HG12 VAL 29 2HG1 VAL 29 -0.418 9.271 -4.298 259 HG13 VAL 29 3HG1 VAL 29 -1.170 9.470 -2.716 260 HG21 VAL 29 3HG2 VAL 29 -4.022 10.379 -3.471 261 HG22 VAL 29 1HG2 VAL 29 -3.573 9.062 -2.386 262 HG23 VAL 29 2HG2 VAL 29 -4.652 8.753 -3.745 263 H ASN 30 H ASN 30 -1.811 11.198 -7.250 264 HA ASN 30 HA ASN 30 0.658 9.645 -7.864 265 HB2 ASN 30 2HB ASN 30 -0.848 11.543 -9.704 266 HB3 ASN 30 1HB ASN 30 0.837 11.133 -9.975 267 HD21 ASN 30 1HD2 ASN 30 0.468 10.135 -11.943 268 HD22 ASN 30 2HD2 ASN 30 -0.371 8.634 -12.099 269 H SER 31 H SER 31 -0.477 12.299 -6.159 270 HA SER 31 HA SER 31 2.139 13.707 -6.315 271 HB2 SER 31 2HB SER 31 -0.580 14.779 -5.427 272 HB3 SER 31 1HB SER 31 0.932 15.691 -5.366 273 HG SER 31 HG SER 31 0.503 16.219 -7.343 274 H ARG 32 H ARG 32 3.096 14.402 -4.378 275 HA ARG 32 HA ARG 32 3.193 12.484 -2.320 276 HB2 ARG 32 2HB ARG 32 5.106 13.935 -2.980 277 HB3 ARG 32 1HB ARG 32 4.282 15.331 -2.315 278 HG2 ARG 32 2HG ARG 32 4.418 14.341 -0.051 279 HG3 ARG 32 1HG ARG 32 5.216 12.915 -0.718 280 HD2 ARG 32 2HD ARG 32 7.115 14.339 -1.453 281 HD3 ARG 32 1HD ARG 32 6.308 15.747 -0.759 282 HE ARG 32 HE ARG 32 6.747 14.953 1.397 283 HH11 ARG 32 1HH1 ARG 32 8.074 12.749 -1.013 284 HH12 ARG 32 2HH1 ARG 32 9.090 11.931 0.128 285 HH21 ARG 32 1HH2 ARG 32 8.028 13.789 2.890 286 HH22 ARG 32 2HH2 ARG 32 9.064 12.517 2.318 287 H GLU 33 H GLU 33 1.520 15.615 -2.547 288 HA GLU 33 HA GLU 33 0.883 15.891 0.217 289 HB2 GLU 33 2HB GLU 33 -0.589 17.104 -2.173 290 HB3 GLU 33 1HB GLU 33 -0.753 17.608 -0.496 291 HG2 GLU 33 2HG GLU 33 0.667 19.232 -1.371 292 HG3 GLU 33 1HG GLU 33 1.792 18.119 -0.602 293 H GLU 34 H GLU 34 -0.799 14.460 -2.521 294 HA GLU 34 HA GLU 34 -3.227 13.739 -1.222 295 HB2 GLU 34 2HB GLU 34 -1.936 12.323 -3.579 296 HB3 GLU 34 1HB GLU 34 -3.640 12.320 -3.145 297 HG2 GLU 34 2HG GLU 34 -3.735 14.746 -3.678 298 HG3 GLU 34 1HG GLU 34 -2.045 14.673 -4.193 299 H ALA 35 H ALA 35 -0.067 12.250 -1.522 300 HA ALA 35 HA ALA 35 -0.781 9.728 -0.274 301 HB1 ALA 35 3HB ALA 35 1.624 9.218 -0.514 302 HB2 ALA 35 1HB ALA 35 1.936 10.884 -1.021 303 HB3 ALA 35 2HB ALA 35 0.948 9.822 -2.027 304 H SER 36 H SER 36 0.244 12.863 0.775 305 HA SER 36 HA SER 36 1.548 12.057 3.234 306 HB2 SER 36 2HB SER 36 2.242 14.109 1.990 307 HB3 SER 36 1HB SER 36 0.671 14.834 2.321 308 HG SER 36 HG SER 36 1.185 14.989 4.451 309 H LYS 37 H LYS 37 -1.654 13.137 2.212 310 HA LYS 37 HA LYS 37 -2.738 13.151 4.897 311 HB2 LYS 37 2HB LYS 37 -4.918 13.451 3.851 312 HB3 LYS 37 1HB LYS 37 -3.752 14.536 3.105 313 HG2 LYS 37 2HG LYS 37 -3.567 12.995 1.172 314 HG3 LYS 37 1HG LYS 37 -4.764 11.931 1.914 315 HD2 LYS 37 2HD LYS 37 -5.243 14.808 1.022 316 HD3 LYS 37 1HD LYS 37 -5.784 13.356 0.177 317 HE2 LYS 37 2HE LYS 37 -7.223 12.762 2.085 318 HE3 LYS 37 1HE LYS 37 -6.662 14.185 2.965 319 HZ1 LYS 37 3HZ LYS 37 -8.164 14.228 0.400 320 HZ2 LYS 37 1HZ LYS 37 -7.642 15.586 1.260 321 HZ3 LYS 37 2HZ LYS 37 -8.809 14.559 1.925 322 H LEU 38 H LEU 38 -1.786 10.695 2.772 323 HA LEU 38 HA LEU 38 -3.666 8.691 3.764 324 HB2 LEU 38 2HB LEU 38 -1.356 8.456 1.799 325 HB3 LEU 38 1HB LEU 38 -2.322 7.092 2.328 326 HG LEU 38 HG LEU 38 -3.239 9.440 0.645 327 HD11 LEU 38 1HD1 LEU 38 -3.083 6.471 0.020 328 HD12 LEU 38 2HD1 LEU 38 -2.012 7.734 -0.593 329 HD13 LEU 38 3HD1 LEU 38 -3.711 7.726 -1.055 330 HD21 LEU 38 3HD2 LEU 38 -5.482 8.428 0.618 331 HD22 LEU 38 1HD2 LEU 38 -5.017 8.932 2.240 332 HD23 LEU 38 2HD2 LEU 38 -4.964 7.223 1.800 333 H ILE 39 H ILE 39 -0.837 10.061 4.946 334 HA ILE 39 HA ILE 39 0.471 7.837 6.117 335 HB ILE 39 HB ILE 39 0.295 10.683 7.229 336 HG12 ILE 39 2HG1 ILE 39 1.238 10.729 4.964 337 HG13 ILE 39 1HG1 ILE 39 2.514 11.049 6.129 338 HG21 ILE 39 1HG2 ILE 39 1.057 9.119 8.962 339 HG22 ILE 39 2HG2 ILE 39 2.396 10.148 8.452 340 HG23 ILE 39 3HG2 ILE 39 2.299 8.481 7.881 341 HD11 ILE 39 3HD1 ILE 39 3.256 8.701 5.896 342 HD12 ILE 39 1HD1 ILE 39 3.322 9.621 4.393 343 HD13 ILE 39 2HD1 ILE 39 2.016 8.472 4.659 344 H GLY 40 H GLY 40 -0.642 6.365 7.268 345 HA2 GLY 40 2HA GLY 40 -1.331 5.765 9.497 346 HA3 GLY 40 1HA GLY 40 -2.244 7.260 9.607 347 H ARG 41 H ARG 41 -2.730 5.840 6.531 348 HA ARG 41 HA ARG 41 -5.444 5.075 7.308 349 HB2 ARG 41 2HB ARG 41 -4.226 4.980 4.520 350 HB3 ARG 41 1HB ARG 41 -5.937 4.875 4.928 351 HG2 ARG 41 2HG ARG 41 -4.127 7.278 5.196 352 HG3 ARG 41 1HG ARG 41 -5.463 7.073 4.069 353 HD2 ARG 41 2HD ARG 41 -7.071 7.186 5.898 354 HD3 ARG 41 1HD ARG 41 -5.762 7.225 7.088 355 HE ARG 41 HE ARG 41 -5.451 9.346 5.245 356 HH11 ARG 41 1HH1 ARG 41 -7.505 8.452 7.962 357 HH12 ARG 41 2HH1 ARG 41 -7.847 10.097 8.382 358 HH21 ARG 41 1HH2 ARG 41 -5.855 11.479 5.870 359 HH22 ARG 41 2HH2 ARG 41 -6.915 11.806 7.205 360 H LEU 42 H LEU 42 -6.430 3.073 6.495 361 HA LEU 42 HA LEU 42 -4.807 0.770 7.286 362 HB2 LEU 42 2HB LEU 42 -7.007 1.152 8.370 363 HB3 LEU 42 1HB LEU 42 -7.801 1.099 6.806 364 HG LEU 42 HG LEU 42 -7.083 -1.316 6.585 365 HD11 LEU 42 1HD1 LEU 42 -6.344 -2.548 8.570 366 HD12 LEU 42 2HD1 LEU 42 -6.209 -1.036 9.469 367 HD13 LEU 42 3HD1 LEU 42 -5.168 -1.332 8.074 368 HD21 LEU 42 3HD2 LEU 42 -9.347 -0.737 7.287 369 HD22 LEU 42 1HD2 LEU 42 -8.838 -0.683 8.976 370 HD23 LEU 42 2HD2 LEU 42 -8.803 -2.210 8.088 371 H VAL 43 H VAL 43 -3.879 -0.413 5.717 372 HA VAL 43 HA VAL 43 -5.011 -0.439 2.980 373 HB VAL 43 HB VAL 43 -2.168 -1.177 3.834 374 HG11 VAL 43 1HG1 VAL 43 -2.853 -2.237 1.737 375 HG12 VAL 43 2HG1 VAL 43 -1.657 -0.981 1.416 376 HG13 VAL 43 3HG1 VAL 43 -3.363 -0.676 1.082 377 HG21 VAL 43 3HG2 VAL 43 -2.563 1.203 4.305 378 HG22 VAL 43 1HG2 VAL 43 -3.144 1.452 2.654 379 HG23 VAL 43 2HG2 VAL 43 -1.458 1.013 2.942 380 H LEU 44 H LEU 44 -6.093 -2.251 2.510 381 HA LEU 44 HA LEU 44 -5.604 -4.760 3.981 382 HB2 LEU 44 2HB LEU 44 -7.959 -3.894 2.240 383 HB3 LEU 44 1HB LEU 44 -7.853 -5.411 3.117 384 HG LEU 44 HG LEU 44 -8.060 -2.631 4.344 385 HD11 LEU 44 1HD1 LEU 44 -10.059 -4.915 4.334 386 HD12 LEU 44 2HD1 LEU 44 -10.174 -3.416 3.407 387 HD13 LEU 44 3HD1 LEU 44 -10.248 -3.367 5.165 388 HD21 LEU 44 3HD2 LEU 44 -6.630 -4.005 5.759 389 HD22 LEU 44 1HD2 LEU 44 -7.825 -5.305 5.765 390 HD23 LEU 44 2HD2 LEU 44 -8.188 -3.761 6.542 391 H TRP 45 H TRP 45 -4.007 -5.888 2.908 392 HA TRP 45 HA TRP 45 -4.003 -6.047 -0.032 393 HB2 TRP 45 2HB TRP 45 -1.802 -5.761 0.958 394 HB3 TRP 45 1HB TRP 45 -2.050 -7.118 2.050 395 HD1 TRP 45 HD1 TRP 45 -2.016 -6.672 -1.858 396 HE1 TRP 45 HE1 TRP 45 -0.784 -8.688 -2.867 397 HE3 TRP 45 HE3 TRP 45 -0.948 -9.214 2.441 398 HZ2 TRP 45 HZ2 TRP 45 0.501 -11.033 -1.967 399 HZ3 TRP 45 HZ3 TRP 45 0.302 -11.334 2.288 400 HH2 TRP 45 HH2 TRP 45 1.009 -12.231 0.121 401 H LYS 46 H LYS 46 -4.392 -7.876 -1.143 402 HA LYS 46 HA LYS 46 -5.749 -10.101 0.228 403 HB2 LYS 46 2HB LYS 46 -7.099 -8.907 -1.428 404 HB3 LYS 46 1HB LYS 46 -5.833 -9.086 -2.637 405 HG2 LYS 46 2HG LYS 46 -6.173 -11.581 -2.530 406 HG3 LYS 46 1HG LYS 46 -7.540 -11.296 -1.447 407 HD2 LYS 46 2HD LYS 46 -8.238 -11.651 -3.807 408 HD3 LYS 46 1HD LYS 46 -8.726 -10.071 -3.188 409 HE2 LYS 46 2HE LYS 46 -7.810 -10.047 -5.544 410 HE3 LYS 46 1HE LYS 46 -6.967 -8.966 -4.435 411 HZ1 LYS 46 3HZ LYS 46 -5.529 -10.331 -5.937 412 HZ2 LYS 46 1HZ LYS 46 -6.018 -11.699 -5.077 413 HZ3 LYS 46 2HZ LYS 46 -5.157 -10.467 -4.294 414 H SER 47 H SER 47 -4.266 -11.639 0.664 415 HA SER 47 HA SER 47 -1.906 -12.271 -0.707 416 HB2 SER 47 2HB SER 47 -1.952 -14.370 0.638 417 HB3 SER 47 1HB SER 47 -2.393 -12.982 1.630 418 HG SER 47 HG SER 47 -4.536 -13.593 1.494 419 HA PRO 48 HA PRO 48 -3.161 -14.784 -4.296 420 HB2 PRO 48 2HB PRO 48 -1.457 -16.979 -4.111 421 HB3 PRO 48 1HB PRO 48 -0.950 -15.380 -4.698 422 HG2 PRO 48 2HG PRO 48 -0.682 -16.513 -1.920 423 HG3 PRO 48 1HG PRO 48 0.548 -15.708 -2.926 424 HD2 PRO 48 2HD PRO 48 -0.687 -14.314 -1.038 425 HD3 PRO 48 1HD PRO 48 -0.425 -13.568 -2.634 426 H SER 49 H SER 49 -3.136 -16.181 -1.105 427 HA SER 49 HA SER 49 -4.723 -18.508 -1.682 428 HB2 SER 49 2HB SER 49 -4.101 -17.148 0.971 429 HB3 SER 49 1HB SER 49 -4.744 -18.780 0.773 430 HG SER 49 HG SER 49 -2.825 -19.482 0.112 431 H GLY 50 H GLY 50 -5.478 -15.234 -1.497 432 HA2 GLY 50 2HA GLY 50 -7.541 -14.283 -2.000 433 HA3 GLY 50 1HA GLY 50 -8.356 -15.774 -1.551 434 H LYS 51 H LYS 51 -6.134 -14.987 0.801 435 HA LYS 51 HA LYS 51 -8.187 -14.136 2.688 436 HB2 LYS 51 2HB LYS 51 -5.225 -14.625 3.222 437 HB3 LYS 51 1HB LYS 51 -6.536 -14.614 4.404 438 HG2 LYS 51 2HG LYS 51 -6.087 -16.675 2.228 439 HG3 LYS 51 1HG LYS 51 -5.770 -16.891 3.950 440 HD2 LYS 51 2HD LYS 51 -8.119 -16.849 4.480 441 HD3 LYS 51 1HD LYS 51 -8.547 -16.286 2.863 442 HE2 LYS 51 2HE LYS 51 -9.085 -18.669 3.148 443 HE3 LYS 51 1HE LYS 51 -7.846 -18.454 1.912 444 HZ1 LYS 51 3HZ LYS 51 -6.185 -19.006 3.671 445 HZ2 LYS 51 1HZ LYS 51 -7.230 -20.279 3.284 446 HZ3 LYS 51 2HZ LYS 51 -7.464 -19.398 4.702 447 H ILE 52 H ILE 52 -7.784 -12.232 4.096 448 HA ILE 52 HA ILE 52 -6.396 -10.042 2.617 449 HB ILE 52 HB ILE 52 -9.005 -9.894 4.197 450 HG12 ILE 52 2HG1 ILE 52 -8.472 -9.495 1.215 451 HG13 ILE 52 1HG1 ILE 52 -9.224 -10.913 1.933 452 HG21 ILE 52 1HG2 ILE 52 -9.115 -7.504 3.540 453 HG22 ILE 52 2HG2 ILE 52 -7.504 -7.626 2.833 454 HG23 ILE 52 3HG2 ILE 52 -7.722 -7.831 4.573 455 HD11 ILE 52 3HD1 ILE 52 -10.369 -8.121 1.902 456 HD12 ILE 52 1HD1 ILE 52 -11.107 -9.529 2.671 457 HD13 ILE 52 2HD1 ILE 52 -10.880 -9.498 0.925 458 H LEU 53 H LEU 53 -4.634 -9.465 3.691 459 HA LEU 53 HA LEU 53 -4.487 -9.462 6.625 460 HB2 LEU 53 2HB LEU 53 -2.341 -8.565 4.657 461 HB3 LEU 53 1HB LEU 53 -2.134 -8.959 6.358 462 HG LEU 53 HG LEU 53 -2.650 -10.885 4.068 463 HD11 LEU 53 1HD1 LEU 53 -0.451 -11.771 4.629 464 HD12 LEU 53 2HD1 LEU 53 -0.271 -10.579 5.918 465 HD13 LEU 53 3HD1 LEU 53 -0.363 -10.059 4.232 466 HD21 LEU 53 3HD2 LEU 53 -3.912 -11.710 5.982 467 HD22 LEU 53 1HD2 LEU 53 -2.494 -11.561 7.026 468 HD23 LEU 53 2HD2 LEU 53 -2.501 -12.726 5.701 469 H LYS 54 H LYS 54 -4.140 -7.528 7.789 470 HA LYS 54 HA LYS 54 -4.879 -5.030 6.414 471 HB2 LYS 54 2HB LYS 54 -4.553 -5.444 9.411 472 HB3 LYS 54 1HB LYS 54 -5.362 -4.114 8.583 473 HG2 LYS 54 2HG LYS 54 -7.008 -5.928 7.709 474 HG3 LYS 54 1HG LYS 54 -6.316 -6.966 8.956 475 HD2 LYS 54 2HD LYS 54 -7.868 -4.381 9.317 476 HD3 LYS 54 1HD LYS 54 -8.308 -5.997 9.866 477 HE2 LYS 54 2HE LYS 54 -6.057 -4.271 10.940 478 HE3 LYS 54 1HE LYS 54 -7.571 -4.656 11.752 479 HZ1 LYS 54 3HZ LYS 54 -6.888 -7.006 11.746 480 HZ2 LYS 54 1HZ LYS 54 -5.837 -6.019 12.629 481 HZ3 LYS 54 2HZ LYS 54 -5.392 -6.566 11.093 482 H GLY 55 H GLY 55 -3.648 -3.129 6.801 483 HA2 GLY 55 2HA GLY 55 -0.983 -3.234 7.964 484 HA3 GLY 55 1HA GLY 55 -1.030 -3.069 6.206 485 H LYS 56 H LYS 56 0.148 -1.017 7.073 486 HA LYS 56 HA LYS 56 -1.761 1.175 6.945 487 HB2 LYS 56 2HB LYS 56 -1.698 0.706 9.348 488 HB3 LYS 56 1HB LYS 56 0.059 0.809 9.363 489 HG2 LYS 56 2HG LYS 56 0.039 3.165 9.024 490 HG3 LYS 56 1HG LYS 56 -1.656 3.170 8.534 491 HD2 LYS 56 2HD LYS 56 -0.656 2.529 11.338 492 HD3 LYS 56 1HD LYS 56 -1.295 4.091 10.820 493 HE2 LYS 56 2HE LYS 56 -3.463 2.952 10.249 494 HE3 LYS 56 1HE LYS 56 -2.810 1.461 10.936 495 HZ1 LYS 56 3HZ LYS 56 -4.211 2.719 12.498 496 HZ2 LYS 56 1HZ LYS 56 -3.129 4.012 12.430 497 HZ3 LYS 56 2HZ LYS 56 -2.634 2.527 13.071 498 H ILE 57 H ILE 57 -0.981 2.870 5.869 499 HA ILE 57 HA ILE 57 1.664 3.002 4.797 500 HB ILE 57 HB ILE 57 -0.474 5.182 4.946 501 HG12 ILE 57 2HG1 ILE 57 0.214 3.316 2.631 502 HG13 ILE 57 1HG1 ILE 57 -1.147 3.095 3.719 503 HG21 ILE 57 1HG2 ILE 57 1.761 6.170 4.572 504 HG22 ILE 57 2HG2 ILE 57 0.769 6.314 3.121 505 HG23 ILE 57 3HG2 ILE 57 2.028 5.080 3.205 506 HD11 ILE 57 3HD1 ILE 57 -0.759 5.370 1.785 507 HD12 ILE 57 1HD1 ILE 57 -2.091 5.228 2.937 508 HD13 ILE 57 2HD1 ILE 57 -1.899 4.030 1.659 509 H VAL 58 H VAL 58 3.277 3.187 6.197 510 HA VAL 58 HA VAL 58 3.117 4.757 8.651 511 HB VAL 58 HB VAL 58 5.384 3.852 9.135 512 HG11 VAL 58 1HG1 VAL 58 4.725 1.481 9.391 513 HG12 VAL 58 2HG1 VAL 58 3.385 1.723 8.267 514 HG13 VAL 58 3HG1 VAL 58 3.403 2.570 9.816 515 HG21 VAL 58 3HG2 VAL 58 5.178 2.448 6.431 516 HG22 VAL 58 1HG2 VAL 58 6.438 2.168 7.640 517 HG23 VAL 58 2HG2 VAL 58 6.306 3.739 6.849 518 H ARG 59 H ARG 59 4.479 5.026 5.453 519 HA ARG 59 HA ARG 59 4.995 7.820 5.716 520 HB2 ARG 59 2HB ARG 59 7.041 6.825 6.813 521 HB3 ARG 59 1HB ARG 59 7.441 6.037 5.292 522 HG2 ARG 59 2HG ARG 59 8.126 8.036 4.278 523 HG3 ARG 59 1HG ARG 59 7.086 9.034 5.294 524 HD2 ARG 59 2HD ARG 59 9.619 7.639 6.219 525 HD3 ARG 59 1HD ARG 59 9.478 9.357 5.822 526 HE ARG 59 HE ARG 59 7.573 9.149 7.658 527 HH11 ARG 59 1HH1 ARG 59 10.839 7.846 7.780 528 HH12 ARG 59 2HH1 ARG 59 10.939 7.946 9.509 529 HH21 ARG 59 1HH2 ARG 59 7.722 9.290 9.905 530 HH22 ARG 59 2HH2 ARG 59 9.166 8.768 10.714 531 H VAL 60 H VAL 60 5.777 8.731 3.602 532 HA VAL 60 HA VAL 60 4.759 7.220 1.294 533 HB VAL 60 HB VAL 60 4.961 9.359 0.043 534 HG11 VAL 60 1HG1 VAL 60 2.895 8.900 1.291 535 HG12 VAL 60 2HG1 VAL 60 3.228 10.631 1.230 536 HG13 VAL 60 3HG1 VAL 60 3.552 9.720 2.708 537 HG21 VAL 60 3HG2 VAL 60 5.608 11.465 1.181 538 HG22 VAL 60 1HG2 VAL 60 6.946 10.313 1.154 539 HG23 VAL 60 2HG2 VAL 60 6.023 10.557 2.638 540 H HIS 61 H HIS 61 6.011 7.503 -0.755 541 HA HIS 61 HA HIS 61 8.943 7.320 -0.418 542 HB2 HIS 61 2HB HIS 61 8.140 5.031 -0.705 543 HB3 HIS 61 1HB HIS 61 7.130 5.498 -2.070 544 HD1 HIS 61 HD1 HIS 61 10.856 5.654 -1.226 545 HD2 HIS 61 HD2 HIS 61 8.314 4.886 -4.422 546 HE1 HIS 61 HE1 HIS 61 12.351 5.143 -3.179 547 HE2 HIS 61 HE2 HIS 61 10.790 4.834 -5.121 548 H GLY 62 H GLY 62 9.602 9.188 -1.297 549 HA2 GLY 62 2HA GLY 62 10.092 10.801 -2.843 550 HA3 GLY 62 1HA GLY 62 9.420 9.740 -4.073 551 H THR 63 H THR 63 8.488 11.527 -5.142 552 HA THR 63 HA THR 63 6.209 12.884 -3.811 553 HB THR 63 HB THR 63 6.488 14.601 -5.683 554 HG1 THR 63 HG1 THR 63 7.691 13.441 -7.178 555 HG21 THR 63 3HG2 THR 63 7.397 15.059 -3.428 556 HG22 THR 63 1HG2 THR 63 8.443 15.732 -4.682 557 HG23 THR 63 2HG2 THR 63 8.899 14.238 -3.860 558 H LYS 64 H LYS 64 6.705 10.303 -5.727 559 HA LYS 64 HA LYS 64 5.068 10.965 -8.033 560 HB2 LYS 64 2HB LYS 64 6.460 8.360 -7.280 561 HB3 LYS 64 1HB LYS 64 5.720 8.710 -8.839 562 HG2 LYS 64 2HG LYS 64 8.129 10.129 -7.649 563 HG3 LYS 64 1HG LYS 64 8.160 8.928 -8.944 564 HD2 LYS 64 2HD LYS 64 6.918 10.436 -10.425 565 HD3 LYS 64 1HD LYS 64 6.743 11.619 -9.126 566 HE2 LYS 64 2HE LYS 64 8.502 12.290 -10.695 567 HE3 LYS 64 1HE LYS 64 9.190 11.958 -9.105 568 HZ1 LYS 64 3HZ LYS 64 10.527 11.020 -10.887 569 HZ2 LYS 64 1HZ LYS 64 9.217 10.100 -11.426 570 HZ3 LYS 64 2HZ LYS 64 9.900 9.794 -9.911 571 H GLY 65 H GLY 65 4.136 10.229 -4.992 572 HA2 GLY 65 2HA GLY 65 1.945 9.794 -4.297 573 HA3 GLY 65 1HA GLY 65 1.582 9.082 -5.859 574 H ALA 66 H ALA 66 4.234 7.501 -5.457 575 HA ALA 66 HA ALA 66 3.260 5.078 -4.463 576 HB1 ALA 66 3HB ALA 66 5.261 5.229 -5.914 577 HB2 ALA 66 1HB ALA 66 5.634 4.355 -4.427 578 HB3 ALA 66 2HB ALA 66 6.152 6.032 -4.620 579 H VAL 67 H VAL 67 2.808 4.509 -2.427 580 HA VAL 67 HA VAL 67 3.938 5.967 -0.121 581 HB VAL 67 HB VAL 67 2.067 5.014 1.196 582 HG11 VAL 67 1HG1 VAL 67 1.099 6.401 -1.335 583 HG12 VAL 67 2HG1 VAL 67 1.721 7.189 0.117 584 HG13 VAL 67 3HG1 VAL 67 0.206 6.288 0.188 585 HG21 VAL 67 3HG2 VAL 67 1.147 3.721 -1.407 586 HG22 VAL 67 1HG2 VAL 67 0.222 3.752 0.100 587 HG23 VAL 67 2HG2 VAL 67 1.754 2.880 0.019 588 H ARG 68 H ARG 68 4.044 4.480 1.890 589 HA ARG 68 HA ARG 68 5.320 1.874 1.295 590 HB2 ARG 68 2HB ARG 68 7.130 3.430 1.732 591 HB3 ARG 68 1HB ARG 68 6.298 4.109 3.129 592 HG2 ARG 68 2HG ARG 68 6.569 1.963 4.326 593 HG3 ARG 68 1HG ARG 68 7.405 1.294 2.923 594 HD2 ARG 68 2HD ARG 68 8.374 3.694 4.502 595 HD3 ARG 68 1HD ARG 68 8.914 2.036 4.769 596 HE ARG 68 HE ARG 68 9.311 3.509 2.235 597 HH11 ARG 68 1HH1 ARG 68 10.514 1.247 4.655 598 HH12 ARG 68 2HH1 ARG 68 12.027 1.005 3.843 599 HH21 ARG 68 1HH2 ARG 68 11.307 3.239 1.229 600 HH22 ARG 68 2HH2 ARG 68 12.472 2.140 1.894 601 H ALA 69 H ALA 69 4.013 0.376 2.175 602 HA ALA 69 HA ALA 69 2.556 0.961 4.693 603 HB1 ALA 69 3HB ALA 69 0.770 -0.527 3.890 604 HB2 ALA 69 1HB ALA 69 1.665 -0.814 2.393 605 HB3 ALA 69 2HB ALA 69 1.046 0.798 2.757 606 H ARG 70 H ARG 70 2.874 -0.380 6.364 607 HA ARG 70 HA ARG 70 4.411 -2.889 6.035 608 HB2 ARG 70 2HB ARG 70 3.812 -1.269 8.553 609 HB3 ARG 70 1HB ARG 70 4.756 -2.756 8.506 610 HG2 ARG 70 2HG ARG 70 6.416 -1.574 7.044 611 HG3 ARG 70 1HG ARG 70 5.500 -0.084 7.276 612 HD2 ARG 70 2HD ARG 70 5.896 -0.174 9.684 613 HD3 ARG 70 1HD ARG 70 6.712 -1.734 9.523 614 HE ARG 70 HE ARG 70 7.991 0.245 7.926 615 HH11 ARG 70 1HH1 ARG 70 7.657 -0.812 11.274 616 HH12 ARG 70 2HH1 ARG 70 9.195 -0.166 11.754 617 HH21 ARG 70 1HH2 ARG 70 10.019 1.100 8.604 618 HH22 ARG 70 2HH2 ARG 70 10.517 0.906 10.242 619 H PHE 71 H PHE 71 3.378 -4.808 6.341 620 HA PHE 71 HA PHE 71 0.556 -4.784 7.245 621 HB2 PHE 71 2HB PHE 71 2.047 -6.719 5.423 622 HB3 PHE 71 1HB PHE 71 0.389 -6.964 5.979 623 HD1 PHE 71 HD1 PHE 71 2.576 -4.753 3.935 624 HD2 PHE 71 HD2 PHE 71 -1.448 -5.747 5.008 625 HE1 PHE 71 HE1 PHE 71 1.732 -3.284 2.156 626 HE2 PHE 71 HE2 PHE 71 -2.275 -4.285 3.213 627 HZ PHE 71 HZ PHE 71 -0.689 -3.052 1.796 628 H GLU 72 H GLU 72 -0.122 -6.003 8.865 629 HA GLU 72 HA GLU 72 1.513 -6.528 11.024 630 HB2 GLU 72 2HB GLU 72 -0.527 -7.743 11.961 631 HB3 GLU 72 1HB GLU 72 -0.820 -6.113 11.367 632 HG2 GLU 72 2HG GLU 72 -1.693 -7.098 9.237 633 HG3 GLU 72 1HG GLU 72 -1.496 -8.697 9.935 634 H LYS 73 H LYS 73 0.222 -8.910 8.702 635 HA LYS 73 HA LYS 73 1.684 -11.118 9.992 636 HB2 LYS 73 2HB LYS 73 -0.192 -11.281 7.594 637 HB3 LYS 73 1HB LYS 73 0.385 -12.617 8.584 638 HG2 LYS 73 2HG LYS 73 -1.505 -10.418 9.476 639 HG3 LYS 73 1HG LYS 73 -1.959 -12.070 9.075 640 HD2 LYS 73 2HD LYS 73 -0.058 -11.360 11.343 641 HD3 LYS 73 1HD LYS 73 -1.800 -11.536 11.550 642 HE2 LYS 73 2HE LYS 73 0.005 -13.737 10.494 643 HE3 LYS 73 1HE LYS 73 -0.481 -13.572 12.179 644 HZ1 LYS 73 3HZ LYS 73 -1.852 -15.149 10.933 645 HZ2 LYS 73 1HZ LYS 73 -2.376 -13.905 9.917 646 HZ3 LYS 73 2HZ LYS 73 -2.757 -13.873 11.565 647 H GLY 74 H GLY 74 1.463 -9.321 6.955 648 HA2 GLY 74 2HA GLY 74 2.834 -9.072 5.145 649 HA3 GLY 74 1HA GLY 74 4.140 -9.316 6.294 650 H LEU 75 H LEU 75 1.665 -11.375 4.710 651 HA LEU 75 HA LEU 75 3.283 -13.705 4.775 652 HB2 LEU 75 2HB LEU 75 0.646 -13.080 3.422 653 HB3 LEU 75 1HB LEU 75 1.427 -14.641 3.215 654 HG LEU 75 HG LEU 75 0.535 -13.482 5.891 655 HD11 LEU 75 1HD1 LEU 75 -1.238 -15.177 5.857 656 HD12 LEU 75 2HD1 LEU 75 -0.755 -15.670 4.230 657 HD13 LEU 75 3HD1 LEU 75 -1.394 -14.048 4.512 658 HD21 LEU 75 3HD2 LEU 75 2.472 -14.949 6.159 659 HD22 LEU 75 1HD2 LEU 75 1.676 -16.224 5.233 660 HD23 LEU 75 2HD2 LEU 75 1.027 -15.727 6.799 661 HA PRO 76 HA PRO 76 5.710 -12.653 1.143 662 HB2 PRO 76 2HB PRO 76 7.347 -14.821 1.087 663 HB3 PRO 76 1HB PRO 76 7.429 -13.647 2.420 664 HG2 PRO 76 2HG PRO 76 6.025 -16.306 2.354 665 HG3 PRO 76 1HG PRO 76 7.080 -15.633 3.617 666 HD2 PRO 76 2HD PRO 76 4.357 -15.531 3.779 667 HD3 PRO 76 1HD PRO 76 5.411 -14.292 4.501 668 H GLY 77 H GLY 77 5.824 -13.139 -1.053 669 HA2 GLY 77 2HA GLY 77 5.214 -15.503 -2.407 670 HA3 GLY 77 1HA GLY 77 3.707 -14.594 -2.273 671 H GLN 78 H GLN 78 3.698 -14.367 -4.612 672 HA GLN 78 HA GLN 78 5.482 -12.188 -5.557 673 HB2 GLN 78 2HB GLN 78 5.619 -14.342 -6.862 674 HB3 GLN 78 1HB GLN 78 3.923 -14.150 -7.288 675 HG2 GLN 78 2HG GLN 78 4.380 -12.181 -8.596 676 HG3 GLN 78 1HG GLN 78 6.031 -12.077 -7.988 677 HE21 GLN 78 1HE2 GLN 78 5.245 -12.144 -10.738 678 HE22 GLN 78 2HE2 GLN 78 5.947 -13.562 -11.430 679 H ALA 79 H ALA 79 4.090 -10.867 -4.263 680 HA ALA 79 HA ALA 79 1.336 -10.358 -4.919 681 HB1 ALA 79 3HB ALA 79 2.242 -10.081 -2.645 682 HB2 ALA 79 1HB ALA 79 1.532 -8.580 -3.238 683 HB3 ALA 79 2HB ALA 79 3.289 -8.776 -3.209 684 H LEU 80 H LEU 80 4.225 -9.431 -6.408 685 HA LEU 80 HA LEU 80 3.864 -6.704 -6.998 686 HB2 LEU 80 2HB LEU 80 5.323 -8.801 -8.668 687 HB3 LEU 80 1HB LEU 80 5.555 -7.061 -8.770 688 HG LEU 80 HG LEU 80 6.285 -8.841 -6.410 689 HD11 LEU 80 1HD1 LEU 80 8.078 -7.349 -8.348 690 HD12 LEU 80 2HD1 LEU 80 7.823 -9.096 -8.281 691 HD13 LEU 80 3HD1 LEU 80 8.604 -8.272 -6.935 692 HD21 LEU 80 3HD2 LEU 80 6.630 -5.834 -6.673 693 HD22 LEU 80 1HD2 LEU 80 7.263 -6.839 -5.364 694 HD23 LEU 80 2HD2 LEU 80 5.524 -6.671 -5.582 695 H GLY 81 H GLY 81 2.241 -5.803 -8.114 696 HA2 GLY 81 2HA GLY 81 1.073 -5.387 -10.168 697 HA3 GLY 81 1HA GLY 81 1.150 -7.102 -10.555 698 H ASP 82 H ASP 82 0.383 -7.544 -7.570 699 HA ASP 82 HA ASP 82 -2.459 -7.807 -7.987 700 HB2 ASP 82 2HB ASP 82 -1.032 -9.500 -6.729 701 HB3 ASP 82 1HB ASP 82 -0.868 -8.337 -5.417 702 H TYR 83 H TYR 83 -4.004 -7.055 -6.181 703 HA TYR 83 HA TYR 83 -3.597 -4.144 -5.939 704 HB2 TYR 83 2HB TYR 83 -6.169 -5.766 -6.117 705 HB3 TYR 83 1HB TYR 83 -6.084 -4.010 -5.998 706 HD1 TYR 83 HD2 TYR 83 -5.043 -2.694 -7.911 707 HD2 TYR 83 HD1 TYR 83 -5.914 -6.867 -8.252 708 HE1 TYR 83 HE2 TYR 83 -4.926 -2.525 -10.359 709 HE2 TYR 83 HE1 TYR 83 -5.782 -6.692 -10.695 710 HH TYR 83 HH TYR 83 -5.994 -5.025 -12.435 711 H VAL 84 H VAL 84 -4.120 -3.061 -4.135 712 HA VAL 84 HA VAL 84 -5.009 -4.482 -1.688 713 HB VAL 84 HB VAL 84 -3.779 -2.861 -0.340 714 HG11 VAL 84 1HG1 VAL 84 -1.917 -3.980 -2.470 715 HG12 VAL 84 2HG1 VAL 84 -2.495 -4.834 -1.038 716 HG13 VAL 84 3HG1 VAL 84 -1.441 -3.433 -0.857 717 HG21 VAL 84 3HG2 VAL 84 -2.306 -1.119 -1.333 718 HG22 VAL 84 1HG2 VAL 84 -4.005 -0.864 -1.735 719 HG23 VAL 84 2HG2 VAL 84 -2.906 -1.538 -2.940 720 H GLU 85 H GLU 85 -6.326 -3.037 -0.249 721 HA GLU 85 HA GLU 85 -7.669 -0.794 -1.660 722 HB2 GLU 85 2HB GLU 85 -8.968 -2.743 0.299 723 HB3 GLU 85 1HB GLU 85 -9.766 -1.398 -0.516 724 HG2 GLU 85 2HG GLU 85 -9.330 -2.519 -2.714 725 HG3 GLU 85 1HG GLU 85 -8.627 -3.882 -1.846 726 H ILE 86 H ILE 86 -6.805 0.928 -0.742 727 HA ILE 86 HA ILE 86 -6.073 1.145 2.042 728 HB ILE 86 HB ILE 86 -6.126 3.312 -0.123 729 HG12 ILE 86 2HG1 ILE 86 -3.768 1.588 0.777 730 HG13 ILE 86 1HG1 ILE 86 -4.634 1.400 -0.740 731 HG21 ILE 86 1HG2 ILE 86 -4.563 4.555 1.328 732 HG22 ILE 86 2HG2 ILE 86 -4.669 3.283 2.548 733 HG23 ILE 86 3HG2 ILE 86 -6.093 4.253 2.159 734 HD11 ILE 86 3HD1 ILE 86 -3.879 3.631 -1.435 735 HD12 ILE 86 1HD1 ILE 86 -2.540 2.539 -1.088 736 HD13 ILE 86 2HD1 ILE 86 -2.979 3.790 0.076 737 H VAL 87 H VAL 87 -7.998 0.847 3.082 738 HA VAL 87 HA VAL 87 -10.314 2.533 2.723 739 HB VAL 87 HB VAL 87 -9.591 0.674 5.044 740 HG11 VAL 87 1HG1 VAL 87 -12.297 1.821 4.262 741 HG12 VAL 87 2HG1 VAL 87 -11.333 2.300 5.662 742 HG13 VAL 87 3HG1 VAL 87 -12.001 0.670 5.568 743 HG21 VAL 87 3HG2 VAL 87 -9.654 -0.573 2.921 744 HG22 VAL 87 1HG2 VAL 87 -11.271 0.057 2.580 745 HG23 VAL 87 2HG2 VAL 87 -11.013 -1.025 3.953 746 H LEU 88 H LEU 88 -10.800 4.375 3.889 747 HA LEU 88 HA LEU 88 -8.913 5.876 5.328 748 HB2 LEU 88 2HB LEU 88 -11.235 6.532 4.235 749 HB3 LEU 88 1HB LEU 88 -11.923 6.084 5.780 750 HG LEU 88 HG LEU 88 -11.639 8.526 5.569 751 HD11 LEU 88 1HD1 LEU 88 -11.517 7.624 7.833 752 HD12 LEU 88 2HD1 LEU 88 -10.483 9.040 7.659 753 HD13 LEU 88 3HD1 LEU 88 -9.768 7.425 7.685 754 HD21 LEU 88 3HD2 LEU 88 -8.670 7.977 5.283 755 HD22 LEU 88 1HD2 LEU 88 -9.416 9.571 5.439 756 HD23 LEU 88 2HD2 LEU 88 -9.753 8.576 4.025 757 H GLU 89 H GLU 89 -7.980 5.164 7.202 758 HA GLU 89 HA GLU 89 -9.245 3.301 9.003 759 HB2 GLU 89 2HB GLU 89 -6.771 3.384 8.504 760 HB3 GLU 89 1HB GLU 89 -6.669 4.890 9.393 761 HG2 GLU 89 2HG GLU 89 -7.760 2.451 10.781 762 HG3 GLU 89 1HG GLU 89 -6.026 2.565 10.512 763 H HIS 90 H HIS 90 -10.640 3.840 10.587 764 HA HIS 90 HA HIS 90 -10.524 6.449 11.904 765 HB2 HIS 90 2HB HIS 90 -12.914 6.969 11.449 766 HB3 HIS 90 1HB HIS 90 -11.943 6.956 9.984 767 HD1 HIS 90 HD1 HIS 90 -12.437 5.132 8.246 768 HD2 HIS 90 HD2 HIS 90 -14.964 5.003 11.534 769 HE1 HIS 90 HE1 HIS 90 -14.311 3.608 7.591 770 HE2 HIS 90 HE2 HIS 90 -15.696 3.374 9.671 771 H HIS 91 H HIS 91 -10.868 6.237 13.991 772 HA HIS 91 HA HIS 91 -12.709 4.159 15.030 773 HB2 HIS 91 2HB HIS 91 -9.955 4.923 16.106 774 HB3 HIS 91 1HB HIS 91 -11.144 4.057 17.074 775 HD1 HIS 91 HD1 HIS 91 -8.639 3.596 14.391 776 HD2 HIS 91 HD2 HIS 91 -11.641 1.368 16.200 777 HE1 HIS 91 HE1 HIS 91 -8.263 1.238 13.646 778 HE2 HIS 91 HE2 HIS 91 -9.972 -0.111 14.905 Start of MODEL 10 1 H1 MET 1 1H MET 1 -15.344 6.485 2.051 2 H2 MET 1 2H MET 1 -13.902 6.150 2.860 3 H3 MET 1 3H MET 1 -14.922 4.886 2.393 4 HA MET 1 HA MET 1 -14.557 5.336 0.109 5 HB2 MET 1 2HB MET 1 -14.180 7.818 0.381 6 HB3 MET 1 1HB MET 1 -12.592 7.479 1.052 7 HG2 MET 1 2HG MET 1 -11.899 6.476 -1.100 8 HG3 MET 1 1HG MET 1 -13.495 6.807 -1.766 9 HE1 MET 1 3HE MET 1 -10.316 10.018 -0.784 10 HE2 MET 1 1HE MET 1 -10.027 8.280 -0.721 11 HE3 MET 1 2HE MET 1 -11.053 9.050 0.494 12 H ARG 2 H ARG 2 -13.080 3.981 -0.845 13 HA ARG 2 HA ARG 2 -10.504 3.386 0.500 14 HB2 ARG 2 2HB ARG 2 -10.606 1.110 -0.527 15 HB3 ARG 2 1HB ARG 2 -11.915 1.382 0.619 16 HG2 ARG 2 2HG ARG 2 -13.474 1.805 -1.258 17 HG3 ARG 2 1HG ARG 2 -12.168 1.504 -2.409 18 HD2 ARG 2 2HD ARG 2 -13.703 -0.456 -2.074 19 HD3 ARG 2 1HD ARG 2 -12.013 -0.811 -1.719 20 HE ARG 2 HE ARG 2 -12.581 -1.251 0.439 21 HH11 ARG 2 1HH1 ARG 2 -15.279 0.540 -0.956 22 HH12 ARG 2 2HH1 ARG 2 -16.280 0.334 0.444 23 HH21 ARG 2 1HH2 ARG 2 -13.874 -1.442 2.272 24 HH22 ARG 2 2HH2 ARG 2 -15.482 -0.790 2.275 25 H ILE 3 H ILE 3 -8.739 3.607 -0.802 26 HA ILE 3 HA ILE 3 -9.126 4.492 -3.591 27 HB ILE 3 HB ILE 3 -6.724 4.835 -1.732 28 HG12 ILE 3 2HG1 ILE 3 -8.819 6.829 -2.726 29 HG13 ILE 3 1HG1 ILE 3 -8.593 6.289 -1.067 30 HG21 ILE 3 1HG2 ILE 3 -7.105 5.883 -4.561 31 HG22 ILE 3 2HG2 ILE 3 -5.985 4.608 -4.079 32 HG23 ILE 3 3HG2 ILE 3 -5.741 6.257 -3.504 33 HD11 ILE 3 3HD1 ILE 3 -7.734 8.508 -1.330 34 HD12 ILE 3 1HD1 ILE 3 -6.709 8.008 -2.675 35 HD13 ILE 3 2HD1 ILE 3 -6.392 7.402 -1.048 36 H LYS 4 H LYS 4 -8.129 3.429 -5.254 37 HA LYS 4 HA LYS 4 -7.384 0.640 -4.803 38 HB2 LYS 4 2HB LYS 4 -9.046 1.160 -6.536 39 HB3 LYS 4 1HB LYS 4 -7.943 2.289 -7.311 40 HG2 LYS 4 2HG LYS 4 -6.464 0.408 -7.942 41 HG3 LYS 4 1HG LYS 4 -7.585 -0.728 -7.170 42 HD2 LYS 4 2HD LYS 4 -9.367 -0.059 -8.733 43 HD3 LYS 4 1HD LYS 4 -8.308 1.141 -9.471 44 HE2 LYS 4 2HE LYS 4 -6.853 -0.656 -10.284 45 HE3 LYS 4 1HE LYS 4 -7.892 -1.860 -9.517 46 HZ1 LYS 4 3HZ LYS 4 -8.694 0.003 -11.680 47 HZ2 LYS 4 1HZ LYS 4 -9.699 -1.137 -10.947 48 HZ3 LYS 4 2HZ LYS 4 -8.373 -1.643 -11.862 49 H GLY 5 H GLY 5 -5.292 0.132 -4.576 50 HA2 GLY 5 2HA GLY 5 -3.159 1.852 -5.771 51 HA3 GLY 5 1HA GLY 5 -3.008 0.992 -4.241 52 H VAL 6 H VAL 6 -1.118 0.637 -6.142 53 HA VAL 6 HA VAL 6 -1.576 -2.112 -7.150 54 HB VAL 6 HB VAL 6 0.216 0.069 -8.328 55 HG11 VAL 6 1HG1 VAL 6 -0.080 -2.829 -9.223 56 HG12 VAL 6 2HG1 VAL 6 1.362 -2.110 -8.503 57 HG13 VAL 6 3HG1 VAL 6 0.815 -1.580 -10.095 58 HG21 VAL 6 3HG2 VAL 6 -2.165 0.336 -8.906 59 HG22 VAL 6 1HG2 VAL 6 -2.225 -1.332 -9.484 60 HG23 VAL 6 2HG2 VAL 6 -1.233 -0.138 -10.328 61 H VAL 7 H VAL 7 -0.292 -3.610 -6.337 62 HA VAL 7 HA VAL 7 1.594 -3.155 -4.256 63 HB VAL 7 HB VAL 7 1.231 -5.693 -5.929 64 HG11 VAL 7 1HG1 VAL 7 3.261 -5.700 -4.530 65 HG12 VAL 7 2HG1 VAL 7 2.088 -6.883 -3.952 66 HG13 VAL 7 3HG1 VAL 7 2.288 -5.352 -3.097 67 HG21 VAL 7 3HG2 VAL 7 -0.961 -4.999 -5.060 68 HG22 VAL 7 1HG2 VAL 7 -0.302 -4.875 -3.428 69 HG23 VAL 7 2HG2 VAL 7 -0.405 -6.449 -4.222 70 H LEU 8 H LEU 8 3.467 -2.065 -4.809 71 HA LEU 8 HA LEU 8 4.828 -2.539 -7.344 72 HB2 LEU 8 2HB LEU 8 5.635 -0.758 -5.014 73 HB3 LEU 8 1HB LEU 8 6.414 -0.792 -6.591 74 HG LEU 8 HG LEU 8 3.572 0.147 -6.008 75 HD11 LEU 8 1HD1 LEU 8 4.394 2.366 -6.689 76 HD12 LEU 8 2HD1 LEU 8 6.027 1.718 -6.839 77 HD13 LEU 8 3HD1 LEU 8 5.231 1.754 -5.264 78 HD21 LEU 8 3HD2 LEU 8 3.616 -0.935 -8.200 79 HD22 LEU 8 1HD2 LEU 8 5.014 0.029 -8.685 80 HD23 LEU 8 2HD2 LEU 8 3.457 0.808 -8.389 81 H SER 9 H SER 9 5.734 -2.873 -3.847 82 HA SER 9 HA SER 9 7.327 -5.249 -4.428 83 HB2 SER 9 2HB SER 9 8.690 -2.723 -3.386 84 HB3 SER 9 1HB SER 9 9.443 -4.319 -3.460 85 HG SER 9 HG SER 9 8.712 -4.099 -5.826 86 H TYR 10 H TYR 10 8.359 -6.167 -2.463 87 HA TYR 10 HA TYR 10 7.123 -5.417 0.130 88 HB2 TYR 10 2HB TYR 10 8.084 -8.210 -0.657 89 HB3 TYR 10 1HB TYR 10 7.250 -7.761 0.824 90 HD1 TYR 10 HD2 TYR 10 4.799 -6.760 0.500 91 HD2 TYR 10 HD1 TYR 10 6.818 -9.138 -2.431 92 HE1 TYR 10 HE2 TYR 10 2.645 -7.330 -0.541 93 HE2 TYR 10 HE1 TYR 10 4.664 -9.700 -3.465 94 HH TYR 10 HH TYR 10 2.252 -9.801 -2.770 95 H ARG 11 H ARG 11 8.538 -5.729 1.992 96 HA ARG 11 HA ARG 11 11.410 -6.165 1.502 97 HB2 ARG 11 2HB ARG 11 10.617 -3.601 1.712 98 HB3 ARG 11 1HB ARG 11 10.603 -3.974 3.425 99 HG2 ARG 11 2HG ARG 11 12.705 -2.937 2.872 100 HG3 ARG 11 1HG ARG 11 13.004 -4.633 3.270 101 HD2 ARG 11 2HD ARG 11 13.031 -5.165 0.831 102 HD3 ARG 11 1HD ARG 11 12.807 -3.448 0.482 103 HE ARG 11 HE ARG 11 15.065 -3.601 2.067 104 HH11 ARG 11 1HH1 ARG 11 14.093 -4.901 -1.064 105 HH12 ARG 11 2HH1 ARG 11 15.715 -4.940 -1.682 106 HH21 ARG 11 1HH2 ARG 11 17.171 -3.645 1.246 107 HH22 ARG 11 2HH2 ARG 11 17.471 -4.222 -0.365 108 H ARG 12 H ARG 12 12.023 -7.791 2.871 109 HA ARG 12 HA ARG 12 10.036 -8.753 4.764 110 HB2 ARG 12 2HB ARG 12 11.082 -10.289 3.096 111 HB3 ARG 12 1HB ARG 12 12.641 -10.063 3.882 112 HG2 ARG 12 2HG ARG 12 11.605 -12.185 4.586 113 HG3 ARG 12 1HG ARG 12 11.757 -11.082 5.958 114 HD2 ARG 12 2HD ARG 12 9.363 -10.429 5.645 115 HD3 ARG 12 1HD ARG 12 9.233 -11.625 4.351 116 HE ARG 12 HE ARG 12 10.153 -12.843 6.747 117 HH11 ARG 12 1HH1 ARG 12 7.229 -11.505 5.301 118 HH12 ARG 12 2HH1 ARG 12 6.172 -12.500 6.239 119 HH21 ARG 12 1HH2 ARG 12 8.745 -14.146 7.952 120 HH22 ARG 12 2HH2 ARG 12 7.026 -13.995 7.745 121 H SER 13 H SER 13 10.103 -8.103 6.828 122 HA SER 13 HA SER 13 12.591 -7.614 8.297 123 HB2 SER 13 2HB SER 13 9.688 -7.698 9.262 124 HB3 SER 13 1HB SER 13 11.070 -7.080 10.175 125 HG SER 13 HG SER 13 10.732 -5.947 7.681 126 H LYS 14 H LYS 14 13.261 -8.996 10.095 127 HA LYS 14 HA LYS 14 12.998 -11.787 9.449 128 HB2 LYS 14 2HB LYS 14 15.180 -10.830 10.152 129 HB3 LYS 14 1HB LYS 14 14.517 -10.496 11.745 130 HG2 LYS 14 2HG LYS 14 14.207 -12.923 12.128 131 HG3 LYS 14 1HG LYS 14 14.885 -13.259 10.533 132 HD2 LYS 14 2HD LYS 14 17.041 -12.289 11.225 133 HD3 LYS 14 1HD LYS 14 16.368 -11.866 12.803 134 HE2 LYS 14 2HE LYS 14 17.720 -13.893 12.988 135 HE3 LYS 14 1HE LYS 14 16.025 -14.281 13.278 136 HZ1 LYS 14 3HZ LYS 14 17.082 -15.917 11.871 137 HZ2 LYS 14 1HZ LYS 14 17.494 -14.736 10.735 138 HZ3 LYS 14 2HZ LYS 14 15.871 -15.114 11.015 139 H GLU 15 H GLU 15 10.780 -12.076 9.828 140 HA GLU 15 HA GLU 15 9.085 -13.138 10.790 141 HB2 GLU 15 2HB GLU 15 11.172 -14.262 12.679 142 HB3 GLU 15 1HB GLU 15 9.652 -15.020 12.212 143 HG2 GLU 15 2HG GLU 15 12.120 -14.578 10.512 144 HG3 GLU 15 1HG GLU 15 11.396 -16.112 10.984 145 H ASN 16 H ASN 16 10.895 -12.604 13.840 146 HA ASN 16 HA ASN 16 8.596 -12.207 15.425 147 HB2 ASN 16 2HB ASN 16 10.682 -12.981 16.447 148 HB3 ASN 16 1HB ASN 16 11.502 -11.484 16.008 149 HD21 ASN 16 1HD2 ASN 16 9.032 -12.887 18.103 150 HD22 ASN 16 2HD2 ASN 16 9.024 -11.603 19.261 151 H GLN 17 H GLN 17 10.898 -9.866 14.016 152 HA GLN 17 HA GLN 17 9.370 -7.574 15.008 153 HB2 GLN 17 2HB GLN 17 11.841 -7.662 13.216 154 HB3 GLN 17 1HB GLN 17 11.115 -6.203 13.866 155 HG2 GLN 17 2HG GLN 17 13.011 -6.610 15.205 156 HG3 GLN 17 1HG GLN 17 11.634 -7.115 16.183 157 HE21 GLN 17 1HE2 GLN 17 13.080 -8.391 17.448 158 HE22 GLN 17 2HE2 GLN 17 13.663 -9.912 16.881 159 H HIS 18 H HIS 18 7.732 -9.077 13.484 160 HA HIS 18 HA HIS 18 7.688 -8.626 10.707 161 HB2 HIS 18 2HB HIS 18 5.373 -9.536 10.772 162 HB3 HIS 18 1HB HIS 18 6.512 -10.540 11.647 163 HD1 HIS 18 HD1 HIS 18 3.297 -10.331 11.993 164 HD2 HIS 18 HD2 HIS 18 6.177 -8.831 14.582 165 HE1 HIS 18 HE1 HIS 18 2.186 -10.166 14.229 166 HE2 HIS 18 HE2 HIS 18 3.960 -9.338 15.794 167 H ASN 19 H ASN 19 8.040 -6.443 10.456 168 HA ASN 19 HA ASN 19 5.589 -4.787 10.384 169 HB2 ASN 19 2HB ASN 19 8.455 -3.820 10.922 170 HB3 ASN 19 1HB ASN 19 7.076 -2.762 10.650 171 HD21 ASN 19 1HD2 ASN 19 8.613 -4.952 12.890 172 HD22 ASN 19 2HD2 ASN 19 7.685 -4.506 14.278 173 H ASN 20 H ASN 20 6.294 -6.640 8.544 174 HA ASN 20 HA ASN 20 8.217 -6.168 6.612 175 HB2 ASN 20 2HB ASN 20 5.480 -7.478 6.219 176 HB3 ASN 20 1HB ASN 20 6.865 -7.670 5.144 177 HD21 ASN 20 1HD2 ASN 20 5.293 -9.626 6.795 178 HD22 ASN 20 2HD2 ASN 20 6.482 -10.479 7.712 179 H VAL 21 H VAL 21 8.385 -4.770 4.941 180 HA VAL 21 HA VAL 21 6.454 -2.585 4.809 181 HB VAL 21 HB VAL 21 9.128 -2.945 3.389 182 HG11 VAL 21 1HG1 VAL 21 9.079 -0.505 2.995 183 HG12 VAL 21 2HG1 VAL 21 7.454 -0.445 3.680 184 HG13 VAL 21 3HG1 VAL 21 7.746 -1.342 2.191 185 HG21 VAL 21 3HG2 VAL 21 10.107 -1.453 5.068 186 HG22 VAL 21 1HG2 VAL 21 9.433 -2.899 5.826 187 HG23 VAL 21 2HG2 VAL 21 8.556 -1.367 5.913 188 H MET 22 H MET 22 5.343 -2.049 2.955 189 HA MET 22 HA MET 22 5.571 -3.724 0.546 190 HB2 MET 22 2HB MET 22 3.747 -4.585 2.057 191 HB3 MET 22 1HB MET 22 2.978 -3.011 1.993 192 HG2 MET 22 2HG MET 22 2.447 -3.296 -0.339 193 HG3 MET 22 1HG MET 22 3.414 -4.777 -0.422 194 HE1 MET 22 3HE MET 22 0.236 -4.453 -1.260 195 HE2 MET 22 1HE MET 22 -0.419 -5.960 -0.621 196 HE3 MET 22 2HE MET 22 1.115 -5.968 -1.488 197 H ILE 23 H ILE 23 6.227 -2.251 -0.865 198 HA ILE 23 HA ILE 23 5.499 0.552 -0.728 199 HB ILE 23 HB ILE 23 7.078 -0.936 -2.889 200 HG12 ILE 23 2HG1 ILE 23 8.224 -1.085 -0.682 201 HG13 ILE 23 1HG1 ILE 23 9.126 -0.067 -1.795 202 HG21 ILE 23 1HG2 ILE 23 6.144 1.187 -3.716 203 HG22 ILE 23 2HG2 ILE 23 7.896 1.317 -3.550 204 HG23 ILE 23 3HG2 ILE 23 6.839 2.053 -2.342 205 HD11 ILE 23 3HD1 ILE 23 9.138 0.861 0.438 206 HD12 ILE 23 1HD1 ILE 23 7.375 0.896 0.474 207 HD13 ILE 23 2HD1 ILE 23 8.259 1.934 -0.648 208 H ILE 24 H ILE 24 3.713 1.304 -1.633 209 HA ILE 24 HA ILE 24 2.281 -0.179 -3.765 210 HB ILE 24 HB ILE 24 1.090 1.178 -1.294 211 HG12 ILE 24 2HG1 ILE 24 1.032 -1.786 -2.027 212 HG13 ILE 24 1HG1 ILE 24 2.138 -1.076 -0.857 213 HG21 ILE 24 1HG2 ILE 24 -0.386 -0.235 -3.545 214 HG22 ILE 24 2HG2 ILE 24 -0.374 1.505 -3.251 215 HG23 ILE 24 3HG2 ILE 24 -1.123 0.419 -2.079 216 HD11 ILE 24 3HD1 ILE 24 0.311 -2.166 0.259 217 HD12 ILE 24 1HD1 ILE 24 -0.867 -1.193 -0.624 218 HD13 ILE 24 2HD1 ILE 24 0.225 -0.427 0.533 219 H LYS 25 H LYS 25 1.358 1.201 -5.360 220 HA LYS 25 HA LYS 25 1.512 4.123 -4.863 221 HB2 LYS 25 2HB LYS 25 2.980 3.504 -6.732 222 HB3 LYS 25 1HB LYS 25 1.637 2.703 -7.548 223 HG2 LYS 25 2HG LYS 25 0.441 4.923 -7.642 224 HG3 LYS 25 1HG LYS 25 1.878 5.681 -6.947 225 HD2 LYS 25 2HD LYS 25 1.788 4.178 -9.589 226 HD3 LYS 25 1HD LYS 25 1.738 5.935 -9.417 227 HE2 LYS 25 2HE LYS 25 3.992 5.875 -8.365 228 HE3 LYS 25 1HE LYS 25 4.037 4.122 -8.590 229 HZ1 LYS 25 3HZ LYS 25 5.218 5.282 -10.339 230 HZ2 LYS 25 1HZ LYS 25 3.820 6.132 -10.759 231 HZ3 LYS 25 2HZ LYS 25 3.886 4.458 -10.967 232 HA PRO 26 HA PRO 26 -3.047 3.674 -5.224 233 HB2 PRO 26 2HB PRO 26 -2.936 6.585 -4.602 234 HB3 PRO 26 1HB PRO 26 -3.816 5.298 -3.761 235 HG2 PRO 26 2HG PRO 26 -1.648 6.503 -2.682 236 HG3 PRO 26 1HG PRO 26 -2.053 4.803 -2.365 237 HD2 PRO 26 2HD PRO 26 0.039 5.929 -4.189 238 HD3 PRO 26 1HD PRO 26 0.087 4.465 -3.183 239 H LEU 27 H LEU 27 -3.900 3.776 -7.240 240 HA LEU 27 HA LEU 27 -2.735 5.078 -9.452 241 HB2 LEU 27 2HB LEU 27 -5.518 3.905 -9.093 242 HB3 LEU 27 1HB LEU 27 -4.887 4.455 -10.642 243 HG LEU 27 HG LEU 27 -3.720 2.183 -8.977 244 HD11 LEU 27 1HD1 LEU 27 -4.556 0.694 -10.730 245 HD12 LEU 27 2HD1 LEU 27 -5.303 2.063 -11.559 246 HD13 LEU 27 3HD1 LEU 27 -5.877 1.576 -9.962 247 HD21 LEU 27 3HD2 LEU 27 -2.901 3.201 -11.726 248 HD22 LEU 27 1HD2 LEU 27 -2.285 1.739 -10.947 249 HD23 LEU 27 2HD2 LEU 27 -1.956 3.316 -10.239 250 H ASP 28 H ASP 28 -5.152 6.100 -7.182 251 HA ASP 28 HA ASP 28 -6.197 8.388 -8.493 252 HB2 ASP 28 2HB ASP 28 -7.278 7.266 -6.561 253 HB3 ASP 28 1HB ASP 28 -5.941 7.738 -5.523 254 H VAL 29 H VAL 29 -3.210 7.789 -6.862 255 HA VAL 29 HA VAL 29 -2.682 10.648 -6.321 256 HB VAL 29 HB VAL 29 -1.579 8.097 -5.077 257 HG11 VAL 29 1HG1 VAL 29 -0.772 10.949 -4.459 258 HG12 VAL 29 2HG1 VAL 29 0.250 9.711 -5.180 259 HG13 VAL 29 3HG1 VAL 29 -0.306 9.534 -3.517 260 HG21 VAL 29 3HG2 VAL 29 -3.287 10.318 -3.891 261 HG22 VAL 29 1HG2 VAL 29 -2.668 8.918 -3.008 262 HG23 VAL 29 2HG2 VAL 29 -3.843 8.694 -4.307 263 H ASN 30 H ASN 30 -1.231 11.657 -7.506 264 HA ASN 30 HA ASN 30 1.129 10.261 -8.630 265 HB2 ASN 30 2HB ASN 30 -0.516 12.473 -9.948 266 HB3 ASN 30 1HB ASN 30 1.083 11.998 -10.510 267 HD21 ASN 30 1HD2 ASN 30 -1.404 11.927 -11.965 268 HD22 ASN 30 2HD2 ASN 30 -1.654 10.285 -12.437 269 H SER 31 H SER 31 0.229 12.269 -6.253 270 HA SER 31 HA SER 31 2.714 13.877 -6.351 271 HB2 SER 31 2HB SER 31 0.019 14.935 -5.375 272 HB3 SER 31 1HB SER 31 1.528 15.846 -5.507 273 HG SER 31 HG SER 31 -0.110 14.812 -7.565 274 H ARG 32 H ARG 32 3.469 14.572 -4.264 275 HA ARG 32 HA ARG 32 3.520 12.525 -2.325 276 HB2 ARG 32 2HB ARG 32 5.425 14.041 -2.636 277 HB3 ARG 32 1HB ARG 32 4.450 15.420 -2.144 278 HG2 ARG 32 2HG ARG 32 4.287 14.526 0.139 279 HG3 ARG 32 1HG ARG 32 5.178 13.081 -0.344 280 HD2 ARG 32 2HD ARG 32 7.181 14.400 -0.764 281 HD3 ARG 32 1HD ARG 32 6.300 15.901 -0.450 282 HE ARG 32 HE ARG 32 5.949 14.500 1.837 283 HH11 ARG 32 1HH1 ARG 32 8.859 15.415 0.074 284 HH12 ARG 32 2HH1 ARG 32 9.834 15.485 1.509 285 HH21 ARG 32 1HH2 ARG 32 7.220 14.643 3.681 286 HH22 ARG 32 2HH2 ARG 32 8.903 15.049 3.547 287 H GLU 33 H GLU 33 1.812 15.639 -2.472 288 HA GLU 33 HA GLU 33 0.944 15.751 0.229 289 HB2 GLU 33 2HB GLU 33 -0.264 17.088 -2.231 290 HB3 GLU 33 1HB GLU 33 -0.552 17.562 -0.553 291 HG2 GLU 33 2HG GLU 33 1.802 18.165 -0.277 292 HG3 GLU 33 1HG GLU 33 2.168 17.596 -1.904 293 H GLU 34 H GLU 34 -0.542 14.489 -2.714 294 HA GLU 34 HA GLU 34 -3.089 13.760 -1.695 295 HB2 GLU 34 2HB GLU 34 -1.572 12.445 -3.989 296 HB3 GLU 34 1HB GLU 34 -3.306 12.360 -3.704 297 HG2 GLU 34 2HG GLU 34 -3.491 14.776 -4.141 298 HG3 GLU 34 1HG GLU 34 -1.751 14.860 -4.426 299 H ALA 35 H ALA 35 0.038 12.160 -1.751 300 HA ALA 35 HA ALA 35 -0.869 9.609 -0.709 301 HB1 ALA 35 3HB ALA 35 1.923 10.736 -1.135 302 HB2 ALA 35 1HB ALA 35 1.026 9.723 -2.267 303 HB3 ALA 35 2HB ALA 35 1.551 9.063 -0.718 304 H SER 36 H SER 36 0.217 12.640 0.593 305 HA SER 36 HA SER 36 1.291 11.598 3.082 306 HB2 SER 36 2HB SER 36 2.308 13.558 1.943 307 HB3 SER 36 1HB SER 36 0.821 14.475 2.191 308 HG SER 36 HG SER 36 1.314 14.741 4.242 309 H LYS 37 H LYS 37 -1.722 12.958 1.927 310 HA LYS 37 HA LYS 37 -2.901 13.114 4.579 311 HB2 LYS 37 2HB LYS 37 -4.997 13.626 3.395 312 HB3 LYS 37 1HB LYS 37 -3.678 14.641 2.825 313 HG2 LYS 37 2HG LYS 37 -3.447 13.196 0.818 314 HG3 LYS 37 1HG LYS 37 -4.799 12.210 1.382 315 HD2 LYS 37 2HD LYS 37 -4.923 15.164 0.638 316 HD3 LYS 37 1HD LYS 37 -5.527 13.824 -0.340 317 HE2 LYS 37 2HE LYS 37 -7.164 13.277 1.460 318 HE3 LYS 37 1HE LYS 37 -6.575 14.653 2.395 319 HZ1 LYS 37 3HZ LYS 37 -7.279 16.107 0.609 320 HZ2 LYS 37 1HZ LYS 37 -8.579 15.202 1.193 321 HZ3 LYS 37 2HZ LYS 37 -7.852 14.793 -0.279 322 H LEU 38 H LEU 38 -1.955 10.553 2.739 323 HA LEU 38 HA LEU 38 -4.126 8.760 3.627 324 HB2 LEU 38 2HB LEU 38 -1.815 8.213 1.724 325 HB3 LEU 38 1HB LEU 38 -3.088 7.074 2.141 326 HG LEU 38 HG LEU 38 -3.403 9.653 0.564 327 HD11 LEU 38 1HD1 LEU 38 -3.767 6.765 -0.290 328 HD12 LEU 38 2HD1 LEU 38 -2.436 7.834 -0.739 329 HD13 LEU 38 3HD1 LEU 38 -4.070 8.192 -1.287 330 HD21 LEU 38 3HD2 LEU 38 -5.792 9.080 0.327 331 HD22 LEU 38 1HD2 LEU 38 -5.360 9.389 2.007 332 HD23 LEU 38 2HD2 LEU 38 -5.589 7.729 1.446 333 H ILE 39 H ILE 39 -1.570 9.996 5.099 334 HA ILE 39 HA ILE 39 -0.278 7.655 6.159 335 HB ILE 39 HB ILE 39 -0.377 10.487 7.294 336 HG12 ILE 39 2HG1 ILE 39 0.691 10.496 5.090 337 HG13 ILE 39 1HG1 ILE 39 1.931 10.712 6.317 338 HG21 ILE 39 1HG2 ILE 39 1.611 9.842 8.633 339 HG22 ILE 39 2HG2 ILE 39 1.467 8.185 8.042 340 HG23 ILE 39 3HG2 ILE 39 0.196 8.874 9.056 341 HD11 ILE 39 3HD1 ILE 39 2.515 8.318 6.079 342 HD12 ILE 39 1HD1 ILE 39 2.716 9.250 4.596 343 HD13 ILE 39 2HD1 ILE 39 1.319 8.194 4.785 344 H GLY 40 H GLY 40 -0.895 6.397 7.826 345 HA2 GLY 40 2HA GLY 40 -1.984 5.758 9.791 346 HA3 GLY 40 1HA GLY 40 -2.975 7.209 9.728 347 H ARG 41 H ARG 41 -2.998 5.857 6.672 348 HA ARG 41 HA ARG 41 -5.729 4.913 6.999 349 HB2 ARG 41 2HB ARG 41 -3.934 5.442 4.614 350 HB3 ARG 41 1HB ARG 41 -5.381 4.469 4.396 351 HG2 ARG 41 2HG ARG 41 -5.587 6.955 3.847 352 HG3 ARG 41 1HG ARG 41 -6.827 6.275 4.900 353 HD2 ARG 41 2HD ARG 41 -5.840 7.298 6.852 354 HD3 ARG 41 1HD ARG 41 -4.402 7.776 5.951 355 HE ARG 41 HE ARG 41 -6.205 9.138 4.612 356 HH11 ARG 41 1HH1 ARG 41 -5.984 8.781 8.113 357 HH12 ARG 41 2HH1 ARG 41 -6.705 10.324 8.420 358 HH21 ARG 41 1HH2 ARG 41 -7.118 11.144 5.046 359 HH22 ARG 41 2HH2 ARG 41 -7.350 11.665 6.684 360 H LEU 42 H LEU 42 -6.442 2.844 6.756 361 HA LEU 42 HA LEU 42 -4.483 0.731 7.279 362 HB2 LEU 42 2HB LEU 42 -6.413 0.942 8.791 363 HB3 LEU 42 1HB LEU 42 -7.520 0.788 7.439 364 HG LEU 42 HG LEU 42 -6.701 -1.579 7.088 365 HD11 LEU 42 1HD1 LEU 42 -5.198 -1.163 9.688 366 HD12 LEU 42 2HD1 LEU 42 -4.484 -1.400 8.093 367 HD13 LEU 42 3HD1 LEU 42 -5.404 -2.700 8.842 368 HD21 LEU 42 3HD2 LEU 42 -7.907 -2.553 8.997 369 HD22 LEU 42 1HD2 LEU 42 -8.761 -1.167 8.319 370 HD23 LEU 42 2HD2 LEU 42 -7.860 -0.994 9.827 371 H VAL 43 H VAL 43 -3.740 -0.306 5.564 372 HA VAL 43 HA VAL 43 -5.288 -0.490 3.078 373 HB VAL 43 HB VAL 43 -2.351 -1.192 3.509 374 HG11 VAL 43 1HG1 VAL 43 -3.347 -2.274 1.539 375 HG12 VAL 43 2HG1 VAL 43 -2.223 -1.014 1.030 376 HG13 VAL 43 3HG1 VAL 43 -3.961 -0.720 0.969 377 HG21 VAL 43 3HG2 VAL 43 -2.701 1.197 4.017 378 HG22 VAL 43 1HG2 VAL 43 -3.530 1.416 2.472 379 HG23 VAL 43 2HG2 VAL 43 -1.812 1.008 2.502 380 H LEU 44 H LEU 44 -6.423 -2.257 2.836 381 HA LEU 44 HA LEU 44 -5.682 -4.835 4.054 382 HB2 LEU 44 2HB LEU 44 -8.281 -3.935 2.732 383 HB3 LEU 44 1HB LEU 44 -8.031 -5.452 3.587 384 HG LEU 44 HG LEU 44 -7.896 -2.703 4.901 385 HD11 LEU 44 1HD1 LEU 44 -10.088 -3.200 5.878 386 HD12 LEU 44 2HD1 LEU 44 -10.184 -4.690 4.934 387 HD13 LEU 44 3HD1 LEU 44 -10.162 -3.123 4.118 388 HD21 LEU 44 3HD2 LEU 44 -7.930 -5.479 6.142 389 HD22 LEU 44 1HD2 LEU 44 -7.997 -3.953 7.030 390 HD23 LEU 44 2HD2 LEU 44 -6.561 -4.365 6.099 391 H TRP 45 H TRP 45 -4.873 -6.397 2.730 392 HA TRP 45 HA TRP 45 -5.630 -6.491 -0.101 393 HB2 TRP 45 2HB TRP 45 -3.439 -5.303 -0.049 394 HB3 TRP 45 1HB TRP 45 -2.727 -6.654 0.838 395 HD1 TRP 45 HD1 TRP 45 -4.500 -6.084 -2.590 396 HE1 TRP 45 HE1 TRP 45 -3.413 -7.623 -4.320 397 HE3 TRP 45 HE3 TRP 45 -1.237 -8.567 0.452 398 HZ2 TRP 45 HZ2 TRP 45 -1.463 -9.628 -4.410 399 HZ3 TRP 45 HZ3 TRP 45 0.209 -10.298 -0.536 400 HH2 TRP 45 HH2 TRP 45 0.098 -10.821 -2.924 401 H LYS 46 H LYS 46 -6.212 -8.504 -0.630 402 HA LYS 46 HA LYS 46 -5.711 -10.731 1.200 403 HB2 LYS 46 2HB LYS 46 -8.009 -10.352 0.341 404 HB3 LYS 46 1HB LYS 46 -7.433 -10.566 -1.307 405 HG2 LYS 46 2HG LYS 46 -6.867 -12.917 -0.833 406 HG3 LYS 46 1HG LYS 46 -7.347 -12.705 0.853 407 HD2 LYS 46 2HD LYS 46 -9.117 -13.847 -0.392 408 HD3 LYS 46 1HD LYS 46 -9.675 -12.260 0.137 409 HE2 LYS 46 2HE LYS 46 -10.420 -12.652 -2.148 410 HE3 LYS 46 1HE LYS 46 -9.202 -11.378 -2.168 411 HZ1 LYS 46 3HZ LYS 46 -8.729 -14.235 -2.823 412 HZ2 LYS 46 1HZ LYS 46 -7.570 -13.008 -2.873 413 HZ3 LYS 46 2HZ LYS 46 -8.874 -12.979 -3.942 414 H SER 47 H SER 47 -3.868 -11.807 0.899 415 HA SER 47 HA SER 47 -2.278 -11.945 -1.439 416 HB2 SER 47 2HB SER 47 -1.026 -13.717 -0.210 417 HB3 SER 47 1HB SER 47 -1.377 -12.347 0.844 418 HG SER 47 HG SER 47 -2.828 -13.523 1.926 419 HA PRO 48 HA PRO 48 -4.121 -15.178 -4.009 420 HB2 PRO 48 2HB PRO 48 -1.930 -16.780 -4.667 421 HB3 PRO 48 1HB PRO 48 -2.263 -15.200 -5.411 422 HG2 PRO 48 2HG PRO 48 -0.441 -15.829 -3.092 423 HG3 PRO 48 1HG PRO 48 -0.115 -14.848 -4.538 424 HD2 PRO 48 2HD PRO 48 -0.731 -13.627 -2.267 425 HD3 PRO 48 1HD PRO 48 -1.458 -13.046 -3.787 426 H SER 49 H SER 49 -2.321 -16.105 -1.175 427 HA SER 49 HA SER 49 -3.122 -18.854 -1.034 428 HB2 SER 49 2HB SER 49 -2.063 -17.013 1.160 429 HB3 SER 49 1HB SER 49 -2.120 -18.779 1.222 430 HG SER 49 HG SER 49 -0.678 -18.797 -0.565 431 H GLY 50 H GLY 50 -4.951 -16.079 -0.692 432 HA2 GLY 50 2HA GLY 50 -7.196 -15.886 -0.142 433 HA3 GLY 50 1HA GLY 50 -7.151 -17.458 0.643 434 H LYS 51 H LYS 51 -4.627 -15.403 1.594 435 HA LYS 51 HA LYS 51 -5.812 -15.127 4.270 436 HB2 LYS 51 2HB LYS 51 -2.939 -14.795 3.314 437 HB3 LYS 51 1HB LYS 51 -3.470 -14.708 4.994 438 HG2 LYS 51 2HG LYS 51 -3.732 -17.150 3.220 439 HG3 LYS 51 1HG LYS 51 -2.430 -16.883 4.379 440 HD2 LYS 51 2HD LYS 51 -5.385 -17.082 5.094 441 HD3 LYS 51 1HD LYS 51 -4.220 -18.401 5.240 442 HE2 LYS 51 2HE LYS 51 -2.922 -17.071 6.878 443 HE3 LYS 51 1HE LYS 51 -4.090 -15.754 6.733 444 HZ1 LYS 51 3HZ LYS 51 -5.787 -17.165 7.624 445 HZ2 LYS 51 1HZ LYS 51 -4.465 -17.173 8.678 446 HZ3 LYS 51 2HZ LYS 51 -4.745 -18.495 7.659 447 H ILE 52 H ILE 52 -6.277 -13.201 5.121 448 HA ILE 52 HA ILE 52 -6.134 -10.836 3.406 449 HB ILE 52 HB ILE 52 -7.473 -11.172 6.124 450 HG12 ILE 52 2HG1 ILE 52 -8.664 -11.128 3.304 451 HG13 ILE 52 1HG1 ILE 52 -8.555 -12.538 4.351 452 HG21 ILE 52 1HG2 ILE 52 -6.834 -8.829 5.765 453 HG22 ILE 52 2HG2 ILE 52 -8.583 -8.991 5.605 454 HG23 ILE 52 3HG2 ILE 52 -7.574 -8.846 4.162 455 HD11 ILE 52 3HD1 ILE 52 -10.252 -10.084 4.820 456 HD12 ILE 52 1HD1 ILE 52 -10.109 -11.454 5.928 457 HD13 ILE 52 2HD1 ILE 52 -10.802 -11.685 4.324 458 H LEU 53 H LEU 53 -4.138 -10.015 3.400 459 HA LEU 53 HA LEU 53 -2.520 -9.671 5.776 460 HB2 LEU 53 2HB LEU 53 -2.032 -8.468 3.020 461 HB3 LEU 53 1HB LEU 53 -0.862 -8.685 4.314 462 HG LEU 53 HG LEU 53 -2.037 -10.776 2.458 463 HD11 LEU 53 1HD1 LEU 53 0.834 -10.090 3.149 464 HD12 LEU 53 2HD1 LEU 53 -0.031 -9.629 1.681 465 HD13 LEU 53 3HD1 LEU 53 0.304 -11.328 2.005 466 HD21 LEU 53 3HD2 LEU 53 -0.556 -11.387 5.038 467 HD22 LEU 53 1HD2 LEU 53 -0.958 -12.554 3.775 468 HD23 LEU 53 2HD2 LEU 53 -2.244 -11.762 4.676 469 H LYS 54 H LYS 54 -2.503 -7.910 7.030 470 HA LYS 54 HA LYS 54 -4.029 -5.499 6.271 471 HB2 LYS 54 2HB LYS 54 -3.627 -6.663 9.063 472 HB3 LYS 54 1HB LYS 54 -4.592 -5.245 8.651 473 HG2 LYS 54 2HG LYS 54 -6.116 -6.719 7.320 474 HG3 LYS 54 1HG LYS 54 -5.173 -8.119 7.841 475 HD2 LYS 54 2HD LYS 54 -7.145 -7.954 9.242 476 HD3 LYS 54 1HD LYS 54 -5.733 -7.557 10.219 477 HE2 LYS 54 2HE LYS 54 -6.249 -5.150 9.983 478 HE3 LYS 54 1HE LYS 54 -7.646 -5.545 8.980 479 HZ1 LYS 54 3HZ LYS 54 -8.240 -5.092 11.289 480 HZ2 LYS 54 1HZ LYS 54 -7.291 -6.395 11.799 481 HZ3 LYS 54 2HZ LYS 54 -8.650 -6.667 10.835 482 H GLY 55 H GLY 55 -2.962 -3.617 6.386 483 HA2 GLY 55 2HA GLY 55 -0.566 -3.224 8.007 484 HA3 GLY 55 1HA GLY 55 -0.328 -3.181 6.261 485 H LYS 56 H LYS 56 0.413 -0.936 7.147 486 HA LYS 56 HA LYS 56 -1.747 0.987 6.726 487 HB2 LYS 56 2HB LYS 56 -1.989 0.561 9.087 488 HB3 LYS 56 1HB LYS 56 -0.263 0.741 9.367 489 HG2 LYS 56 2HG LYS 56 -0.340 3.096 9.146 490 HG3 LYS 56 1HG LYS 56 -1.892 3.062 8.307 491 HD2 LYS 56 2HD LYS 56 -1.462 2.385 11.241 492 HD3 LYS 56 1HD LYS 56 -2.101 3.912 10.622 493 HE2 LYS 56 2HE LYS 56 -3.979 2.572 9.549 494 HE3 LYS 56 1HE LYS 56 -3.392 1.168 10.447 495 HZ1 LYS 56 3HZ LYS 56 -3.717 2.455 12.491 496 HZ2 LYS 56 1HZ LYS 56 -5.157 2.219 11.637 497 HZ3 LYS 56 2HZ LYS 56 -4.377 3.711 11.583 498 H ILE 57 H ILE 57 -1.083 2.842 5.841 499 HA ILE 57 HA ILE 57 1.579 3.176 4.872 500 HB ILE 57 HB ILE 57 -0.693 5.219 4.944 501 HG12 ILE 57 2HG1 ILE 57 0.096 3.303 2.696 502 HG13 ILE 57 1HG1 ILE 57 -1.294 3.090 3.753 503 HG21 ILE 57 1HG2 ILE 57 1.510 6.278 4.557 504 HG22 ILE 57 2HG2 ILE 57 0.516 6.355 3.102 505 HG23 ILE 57 3HG2 ILE 57 1.819 5.170 3.217 506 HD11 ILE 57 3HD1 ILE 57 -2.260 5.174 2.866 507 HD12 ILE 57 1HD1 ILE 57 -1.984 3.954 1.624 508 HD13 ILE 57 2HD1 ILE 57 -0.883 5.323 1.768 509 H VAL 58 H VAL 58 3.155 3.543 6.300 510 HA VAL 58 HA VAL 58 2.762 5.141 8.717 511 HB VAL 58 HB VAL 58 5.028 4.348 9.377 512 HG11 VAL 58 1HG1 VAL 58 3.054 2.997 9.974 513 HG12 VAL 58 2HG1 VAL 58 4.452 1.964 9.680 514 HG13 VAL 58 3HG1 VAL 58 3.187 2.104 8.457 515 HG21 VAL 58 3HG2 VAL 58 6.082 4.187 7.138 516 HG22 VAL 58 1HG2 VAL 58 5.032 2.824 6.733 517 HG23 VAL 58 2HG2 VAL 58 6.237 2.663 8.016 518 H ARG 59 H ARG 59 4.385 5.392 5.615 519 HA ARG 59 HA ARG 59 4.785 8.221 5.869 520 HB2 ARG 59 2HB ARG 59 6.770 7.356 7.166 521 HB3 ARG 59 1HB ARG 59 7.301 6.480 5.734 522 HG2 ARG 59 2HG ARG 59 7.580 8.641 4.539 523 HG3 ARG 59 1HG ARG 59 7.067 9.504 5.987 524 HD2 ARG 59 2HD ARG 59 9.035 8.603 7.200 525 HD3 ARG 59 1HD ARG 59 9.543 7.761 5.731 526 HE ARG 59 HE ARG 59 9.205 10.534 5.225 527 HH11 ARG 59 1HH1 ARG 59 11.470 8.320 6.766 528 HH12 ARG 59 2HH1 ARG 59 12.829 9.372 6.541 529 HH21 ARG 59 1HH2 ARG 59 10.987 11.897 4.973 530 HH22 ARG 59 2HH2 ARG 59 12.551 11.398 5.525 531 H VAL 60 H VAL 60 5.619 9.134 3.805 532 HA VAL 60 HA VAL 60 5.017 7.427 1.466 533 HB VAL 60 HB VAL 60 4.666 9.486 0.198 534 HG11 VAL 60 1HG1 VAL 60 2.774 8.634 1.503 535 HG12 VAL 60 2HG1 VAL 60 2.711 10.394 1.404 536 HG13 VAL 60 3HG1 VAL 60 3.263 9.614 2.889 537 HG21 VAL 60 3HG2 VAL 60 5.486 11.020 2.709 538 HG22 VAL 60 1HG2 VAL 60 4.830 11.744 1.236 539 HG23 VAL 60 2HG2 VAL 60 6.398 10.937 1.199 540 H HIS 61 H HIS 61 6.286 8.012 -0.536 541 HA HIS 61 HA HIS 61 9.129 8.652 -0.031 542 HB2 HIS 61 2HB HIS 61 8.834 6.171 -0.229 543 HB3 HIS 61 1HB HIS 61 8.083 6.390 -1.804 544 HD1 HIS 61 HD1 HIS 61 11.376 6.326 -0.074 545 HD2 HIS 61 HD2 HIS 61 9.920 7.014 -3.905 546 HE1 HIS 61 HE1 HIS 61 13.372 6.220 -1.590 547 HE2 HIS 61 HE2 HIS 61 12.493 6.908 -3.842 548 H GLY 62 H GLY 62 9.162 10.643 -0.927 549 HA2 GLY 62 2HA GLY 62 9.360 12.259 -2.524 550 HA3 GLY 62 1HA GLY 62 9.325 10.976 -3.725 551 H THR 63 H THR 63 8.247 12.759 -4.907 552 HA THR 63 HA THR 63 5.402 13.210 -4.367 553 HB THR 63 HB THR 63 5.501 14.705 -6.380 554 HG1 THR 63 HG1 THR 63 7.159 14.636 -7.688 555 HG21 THR 63 3HG2 THR 63 6.955 16.455 -5.435 556 HG22 THR 63 1HG2 THR 63 7.728 15.264 -4.387 557 HG23 THR 63 2HG2 THR 63 6.025 15.669 -4.156 558 H LYS 64 H LYS 64 6.880 10.613 -5.461 559 HA LYS 64 HA LYS 64 5.660 10.173 -8.047 560 HB2 LYS 64 2HB LYS 64 7.421 8.468 -6.245 561 HB3 LYS 64 1HB LYS 64 6.674 7.793 -7.687 562 HG2 LYS 64 2HG LYS 64 8.923 8.409 -8.245 563 HG3 LYS 64 1HG LYS 64 7.829 9.526 -9.062 564 HD2 LYS 64 2HD LYS 64 8.275 11.179 -7.175 565 HD3 LYS 64 1HD LYS 64 9.525 10.074 -6.594 566 HE2 LYS 64 2HE LYS 64 10.503 11.869 -7.956 567 HE3 LYS 64 1HE LYS 64 10.719 10.309 -8.750 568 HZ1 LYS 64 3HZ LYS 64 10.024 12.031 -10.301 569 HZ2 LYS 64 1HZ LYS 64 8.611 12.302 -9.416 570 HZ3 LYS 64 2HZ LYS 64 8.852 10.824 -10.196 571 H GLY 65 H GLY 65 4.409 10.079 -4.981 572 HA2 GLY 65 2HA GLY 65 2.319 9.428 -4.268 573 HA3 GLY 65 1HA GLY 65 2.065 8.604 -5.797 574 H ALA 66 H ALA 66 4.942 7.451 -4.789 575 HA ALA 66 HA ALA 66 3.947 4.895 -4.062 576 HB1 ALA 66 3HB ALA 66 6.326 4.298 -3.768 577 HB2 ALA 66 1HB ALA 66 6.777 6.004 -3.880 578 HB3 ALA 66 2HB ALA 66 6.079 5.179 -5.276 579 H VAL 67 H VAL 67 3.051 4.536 -2.149 580 HA VAL 67 HA VAL 67 3.904 5.929 0.287 581 HB VAL 67 HB VAL 67 1.805 5.074 1.300 582 HG11 VAL 67 1HG1 VAL 67 1.302 6.471 -1.351 583 HG12 VAL 67 2HG1 VAL 67 1.739 7.252 0.172 584 HG13 VAL 67 3HG1 VAL 67 0.188 6.425 0.022 585 HG21 VAL 67 3HG2 VAL 67 1.198 3.830 -1.418 586 HG22 VAL 67 1HG2 VAL 67 0.076 3.913 -0.055 587 HG23 VAL 67 2HG2 VAL 67 1.547 2.950 0.071 588 H ARG 68 H ARG 68 4.576 4.820 2.062 589 HA ARG 68 HA ARG 68 5.504 2.049 1.695 590 HB2 ARG 68 2HB ARG 68 7.194 3.835 2.218 591 HB3 ARG 68 1HB ARG 68 6.359 4.156 3.735 592 HG2 ARG 68 2HG ARG 68 6.844 1.823 4.459 593 HG3 ARG 68 1HG ARG 68 7.726 1.566 2.954 594 HD2 ARG 68 2HD ARG 68 9.322 2.027 4.695 595 HD3 ARG 68 1HD ARG 68 9.276 3.424 3.614 596 HE ARG 68 HE ARG 68 7.467 3.780 5.767 597 HH11 ARG 68 1HH1 ARG 68 10.916 3.879 5.076 598 HH12 ARG 68 2HH1 ARG 68 11.257 4.970 6.385 599 HH21 ARG 68 1HH2 ARG 68 7.949 5.130 7.521 600 HH22 ARG 68 2HH2 ARG 68 9.576 5.672 7.763 601 H ALA 69 H ALA 69 3.894 0.748 2.359 602 HA ALA 69 HA ALA 69 2.431 1.323 4.863 603 HB1 ALA 69 3HB ALA 69 0.692 -0.194 4.001 604 HB2 ALA 69 1HB ALA 69 1.657 -0.499 2.553 605 HB3 ALA 69 2HB ALA 69 1.012 1.116 2.861 606 H ARG 70 H ARG 70 3.035 0.173 6.593 607 HA ARG 70 HA ARG 70 4.691 -2.223 6.320 608 HB2 ARG 70 2HB ARG 70 3.900 -0.525 8.721 609 HB3 ARG 70 1HB ARG 70 4.744 -2.063 8.894 610 HG2 ARG 70 2HG ARG 70 6.624 -1.173 7.550 611 HG3 ARG 70 1HG ARG 70 5.788 0.380 7.426 612 HD2 ARG 70 2HD ARG 70 5.954 0.743 9.805 613 HD3 ARG 70 1HD ARG 70 6.538 -0.902 10.076 614 HE ARG 70 HE ARG 70 8.467 -0.033 8.522 615 HH11 ARG 70 1HH1 ARG 70 6.945 1.729 11.164 616 HH12 ARG 70 2HH1 ARG 70 8.375 2.646 11.520 617 HH21 ARG 70 1HH2 ARG 70 10.322 1.110 9.046 618 HH22 ARG 70 2HH2 ARG 70 10.289 2.292 10.316 619 H PHE 71 H PHE 71 3.481 -3.942 5.810 620 HA PHE 71 HA PHE 71 1.061 -4.658 7.280 621 HB2 PHE 71 2HB PHE 71 2.644 -5.993 5.035 622 HB3 PHE 71 1HB PHE 71 1.296 -6.793 5.837 623 HD1 PHE 71 HD1 PHE 71 1.928 -3.379 4.314 624 HD2 PHE 71 HD2 PHE 71 -0.687 -6.751 4.625 625 HE1 PHE 71 HE1 PHE 71 0.349 -2.312 2.757 626 HE2 PHE 71 HE2 PHE 71 -2.254 -5.675 3.072 627 HZ PHE 71 HZ PHE 71 -1.743 -3.458 2.140 628 H GLU 72 H GLU 72 1.231 -5.610 9.224 629 HA GLU 72 HA GLU 72 3.647 -6.813 10.231 630 HB2 GLU 72 2HB GLU 72 2.260 -7.425 12.213 631 HB3 GLU 72 1HB GLU 72 2.131 -5.718 11.799 632 HG2 GLU 72 2HG GLU 72 -0.056 -6.124 10.736 633 HG3 GLU 72 1HG GLU 72 0.067 -7.846 11.101 634 H LYS 73 H LYS 73 0.934 -7.890 8.424 635 HA LYS 73 HA LYS 73 1.238 -10.722 8.876 636 HB2 LYS 73 2HB LYS 73 -0.191 -9.223 6.643 637 HB3 LYS 73 1HB LYS 73 -0.383 -10.934 7.022 638 HG2 LYS 73 2HG LYS 73 -1.138 -8.630 8.858 639 HG3 LYS 73 1HG LYS 73 -2.263 -9.546 7.851 640 HD2 LYS 73 2HD LYS 73 -0.594 -10.705 10.126 641 HD3 LYS 73 1HD LYS 73 -2.304 -10.276 10.219 642 HE2 LYS 73 2HE LYS 73 -2.787 -11.947 8.424 643 HE3 LYS 73 1HE LYS 73 -1.088 -12.425 8.448 644 HZ1 LYS 73 3HZ LYS 73 -2.426 -13.901 9.773 645 HZ2 LYS 73 1HZ LYS 73 -2.979 -12.617 10.725 646 HZ3 LYS 73 2HZ LYS 73 -1.349 -13.058 10.759 647 H GLY 74 H GLY 74 1.478 -9.037 5.707 648 HA2 GLY 74 2HA GLY 74 2.938 -9.222 3.950 649 HA3 GLY 74 1HA GLY 74 4.183 -9.240 5.190 650 H LEU 75 H LEU 75 1.681 -11.638 4.358 651 HA LEU 75 HA LEU 75 3.478 -13.867 4.529 652 HB2 LEU 75 2HB LEU 75 0.583 -13.656 3.608 653 HB3 LEU 75 1HB LEU 75 1.445 -15.181 3.749 654 HG LEU 75 HG LEU 75 0.762 -13.296 6.046 655 HD11 LEU 75 1HD1 LEU 75 -0.319 -16.046 5.370 656 HD12 LEU 75 2HD1 LEU 75 -1.177 -14.513 5.202 657 HD13 LEU 75 3HD1 LEU 75 -0.723 -15.091 6.799 658 HD21 LEU 75 3HD2 LEU 75 1.673 -15.053 7.535 659 HD22 LEU 75 1HD2 LEU 75 2.914 -14.367 6.486 660 HD23 LEU 75 2HD2 LEU 75 2.235 -15.955 6.124 661 HA PRO 76 HA PRO 76 5.068 -14.291 0.418 662 HB2 PRO 76 2HB PRO 76 4.211 -17.173 0.332 663 HB3 PRO 76 1HB PRO 76 5.834 -16.469 0.162 664 HG2 PRO 76 2HG PRO 76 5.183 -17.715 2.408 665 HG3 PRO 76 1HG PRO 76 6.120 -16.201 2.468 666 HD2 PRO 76 2HD PRO 76 3.164 -16.596 2.952 667 HD3 PRO 76 1HD PRO 76 4.340 -15.648 3.891 668 H GLY 77 H GLY 77 4.239 -13.521 -1.365 669 HA2 GLY 77 2HA GLY 77 2.341 -14.797 -3.034 670 HA3 GLY 77 1HA GLY 77 1.576 -13.463 -2.165 671 H GLN 78 H GLN 78 4.066 -14.345 -4.463 672 HA GLN 78 HA GLN 78 5.086 -11.706 -4.950 673 HB2 GLN 78 2HB GLN 78 6.335 -13.907 -5.283 674 HB3 GLN 78 1HB GLN 78 5.346 -14.190 -6.707 675 HG2 GLN 78 2HG GLN 78 7.454 -13.339 -7.460 676 HG3 GLN 78 1HG GLN 78 6.267 -12.051 -7.676 677 HE21 GLN 78 1HE2 GLN 78 9.046 -13.119 -5.852 678 HE22 GLN 78 2HE2 GLN 78 9.395 -11.601 -5.105 679 H ALA 79 H ALA 79 2.968 -10.700 -5.247 680 HA ALA 79 HA ALA 79 1.567 -11.235 -7.802 681 HB1 ALA 79 3HB ALA 79 0.271 -11.995 -5.854 682 HB2 ALA 79 1HB ALA 79 -0.525 -10.628 -6.637 683 HB3 ALA 79 2HB ALA 79 0.377 -10.386 -5.138 684 H LEU 80 H LEU 80 3.766 -9.349 -7.288 685 HA LEU 80 HA LEU 80 3.037 -6.682 -6.969 686 HB2 LEU 80 2HB LEU 80 5.125 -7.665 -8.956 687 HB3 LEU 80 1HB LEU 80 5.067 -6.094 -8.172 688 HG LEU 80 HG LEU 80 5.720 -8.762 -6.861 689 HD11 LEU 80 1HD1 LEU 80 7.932 -7.787 -6.474 690 HD12 LEU 80 2HD1 LEU 80 7.449 -6.310 -7.315 691 HD13 LEU 80 3HD1 LEU 80 7.549 -7.840 -8.194 692 HD21 LEU 80 3HD2 LEU 80 5.462 -6.039 -5.539 693 HD22 LEU 80 1HD2 LEU 80 6.124 -7.489 -4.777 694 HD23 LEU 80 2HD2 LEU 80 4.434 -7.448 -5.268 695 H GLY 81 H GLY 81 1.668 -5.412 -8.099 696 HA2 GLY 81 2HA GLY 81 0.950 -4.450 -10.247 697 HA3 GLY 81 1HA GLY 81 0.965 -6.069 -10.919 698 H ASP 82 H ASP 82 -0.144 -6.703 -8.000 699 HA ASP 82 HA ASP 82 -2.918 -6.873 -8.765 700 HB2 ASP 82 2HB ASP 82 -1.419 -8.497 -7.260 701 HB3 ASP 82 1HB ASP 82 -1.935 -7.446 -5.947 702 H TYR 83 H TYR 83 -4.606 -6.181 -6.937 703 HA TYR 83 HA TYR 83 -4.115 -3.289 -6.529 704 HB2 TYR 83 2HB TYR 83 -6.726 -4.704 -7.184 705 HB3 TYR 83 1HB TYR 83 -6.531 -2.962 -6.954 706 HD1 TYR 83 HD2 TYR 83 -4.609 -1.861 -8.470 707 HD2 TYR 83 HD1 TYR 83 -6.638 -5.506 -9.426 708 HE1 TYR 83 HE2 TYR 83 -3.983 -1.592 -10.825 709 HE2 TYR 83 HE1 TYR 83 -5.993 -5.243 -11.780 710 HH TYR 83 HH TYR 83 -3.646 -3.028 -12.818 711 H VAL 84 H VAL 84 -4.268 -2.492 -4.587 712 HA VAL 84 HA VAL 84 -5.309 -4.107 -2.337 713 HB VAL 84 HB VAL 84 -3.992 -2.686 -0.864 714 HG11 VAL 84 1HG1 VAL 84 -1.684 -3.099 -1.648 715 HG12 VAL 84 2HG1 VAL 84 -2.292 -3.427 -3.274 716 HG13 VAL 84 3HG1 VAL 84 -2.728 -4.490 -1.937 717 HG21 VAL 84 3HG2 VAL 84 -2.615 -0.789 -1.655 718 HG22 VAL 84 1HG2 VAL 84 -4.329 -0.501 -1.959 719 HG23 VAL 84 2HG2 VAL 84 -3.267 -0.986 -3.283 720 H GLU 85 H GLU 85 -6.531 -2.963 -0.682 721 HA GLU 85 HA GLU 85 -8.148 -0.660 -1.626 722 HB2 GLU 85 2HB GLU 85 -8.781 -2.790 0.469 723 HB3 GLU 85 1HB GLU 85 -9.823 -1.417 0.084 724 HG2 GLU 85 2HG GLU 85 -10.194 -2.257 -2.167 725 HG3 GLU 85 1HG GLU 85 -9.013 -3.548 -1.922 726 H ILE 86 H ILE 86 -7.203 1.127 -0.849 727 HA ILE 86 HA ILE 86 -5.983 1.233 1.812 728 HB ILE 86 HB ILE 86 -6.165 3.365 -0.371 729 HG12 ILE 86 2HG1 ILE 86 -3.832 1.545 0.396 730 HG13 ILE 86 1HG1 ILE 86 -4.821 1.372 -1.048 731 HG21 ILE 86 1HG2 ILE 86 -4.429 4.586 0.914 732 HG22 ILE 86 2HG2 ILE 86 -4.504 3.360 2.179 733 HG23 ILE 86 3HG2 ILE 86 -5.906 4.383 1.863 734 HD11 ILE 86 3HD1 ILE 86 -2.968 3.663 -0.419 735 HD12 ILE 86 1HD1 ILE 86 -3.994 3.535 -1.852 736 HD13 ILE 86 2HD1 ILE 86 -2.705 2.364 -1.583 737 H VAL 87 H VAL 87 -7.700 1.108 3.172 738 HA VAL 87 HA VAL 87 -10.107 2.699 2.841 739 HB VAL 87 HB VAL 87 -9.268 0.872 5.143 740 HG11 VAL 87 1HG1 VAL 87 -11.665 0.834 5.761 741 HG12 VAL 87 2HG1 VAL 87 -12.021 1.983 4.469 742 HG13 VAL 87 3HG1 VAL 87 -11.015 2.477 5.832 743 HG21 VAL 87 3HG2 VAL 87 -9.398 -0.376 3.017 744 HG22 VAL 87 1HG2 VAL 87 -11.031 0.240 2.743 745 HG23 VAL 87 2HG2 VAL 87 -10.713 -0.847 4.099 746 H LEU 88 H LEU 88 -10.530 4.563 3.858 747 HA LEU 88 HA LEU 88 -8.555 6.155 5.038 748 HB2 LEU 88 2HB LEU 88 -11.527 6.364 4.657 749 HB3 LEU 88 1HB LEU 88 -10.793 7.473 5.799 750 HG LEU 88 HG LEU 88 -11.049 8.477 3.538 751 HD11 LEU 88 1HD1 LEU 88 -8.786 9.399 3.358 752 HD12 LEU 88 2HD1 LEU 88 -8.166 8.116 4.402 753 HD13 LEU 88 3HD1 LEU 88 -9.310 9.298 5.038 754 HD21 LEU 88 3HD2 LEU 88 -9.615 7.754 1.657 755 HD22 LEU 88 1HD2 LEU 88 -10.750 6.488 2.125 756 HD23 LEU 88 2HD2 LEU 88 -9.054 6.370 2.601 757 H GLU 89 H GLU 89 -7.822 6.339 7.059 758 HA GLU 89 HA GLU 89 -9.346 5.425 9.353 759 HB2 GLU 89 2HB GLU 89 -7.711 3.558 8.116 760 HB3 GLU 89 1HB GLU 89 -6.580 4.251 9.261 761 HG2 GLU 89 2HG GLU 89 -9.263 3.037 10.002 762 HG3 GLU 89 1HG GLU 89 -7.726 2.175 10.048 763 H HIS 90 H HIS 90 -8.681 6.435 11.258 764 HA HIS 90 HA HIS 90 -6.618 8.554 11.003 765 HB2 HIS 90 2HB HIS 90 -8.742 9.664 10.647 766 HB3 HIS 90 1HB HIS 90 -9.497 8.809 11.986 767 HD1 HIS 90 HD1 HIS 90 -6.708 11.382 11.459 768 HD2 HIS 90 HD2 HIS 90 -9.547 10.285 14.300 769 HE1 HIS 90 HE1 HIS 90 -6.538 13.088 13.293 770 HE2 HIS 90 HE2 HIS 90 -8.309 12.453 14.954 771 H HIS 91 H HIS 91 -5.576 9.142 12.917 772 HA HIS 91 HA HIS 91 -6.293 7.786 15.427 773 HB2 HIS 91 2HB HIS 91 -3.896 7.360 15.937 774 HB3 HIS 91 1HB HIS 91 -4.445 6.456 14.537 775 HD1 HIS 91 HD1 HIS 91 -3.592 7.355 12.163 776 HD2 HIS 91 HD2 HIS 91 -1.699 8.989 15.480 777 HE1 HIS 91 HE1 HIS 91 -1.450 8.342 11.308 778 HE2 HIS 91 HE2 HIS 91 -0.439 9.502 13.293 Start of MODEL 11 1 H1 MET 1 1H MET 1 -13.596 6.354 -0.650 2 H2 MET 1 2H MET 1 -13.018 6.949 0.818 3 H3 MET 1 3H MET 1 -14.656 7.101 0.436 4 HA MET 1 HA MET 1 -14.326 5.371 2.035 5 HB2 MET 1 2HB MET 1 -15.009 4.150 -0.680 6 HB3 MET 1 1HB MET 1 -15.545 3.577 0.895 7 HG2 MET 1 2HG MET 1 -16.363 6.158 -0.460 8 HG3 MET 1 1HG MET 1 -17.365 4.723 -0.216 9 HE1 MET 1 3HE MET 1 -17.996 7.878 0.670 10 HE2 MET 1 1HE MET 1 -18.862 7.537 2.168 11 HE3 MET 1 2HE MET 1 -19.163 6.554 0.736 12 H ARG 2 H ARG 2 -12.716 4.618 -1.056 13 HA ARG 2 HA ARG 2 -10.486 3.291 0.297 14 HB2 ARG 2 2HB ARG 2 -10.678 1.280 -1.166 15 HB3 ARG 2 1HB ARG 2 -12.047 1.447 -0.071 16 HG2 ARG 2 2HG ARG 2 -13.427 2.361 -1.914 17 HG3 ARG 2 1HG ARG 2 -12.062 2.196 -3.025 18 HD2 ARG 2 2HD ARG 2 -13.691 0.340 -3.241 19 HD3 ARG 2 1HD ARG 2 -12.090 -0.227 -2.755 20 HE ARG 2 HE ARG 2 -14.078 0.255 -0.651 21 HH11 ARG 2 1HH1 ARG 2 -12.324 -2.120 -2.567 22 HH12 ARG 2 2HH1 ARG 2 -12.716 -3.432 -1.495 23 HH21 ARG 2 1HH2 ARG 2 -14.579 -1.490 0.735 24 HH22 ARG 2 2HH2 ARG 2 -13.981 -3.077 0.353 25 H ILE 3 H ILE 3 -8.690 2.927 -1.137 26 HA ILE 3 HA ILE 3 -8.641 4.460 -3.673 27 HB ILE 3 HB ILE 3 -6.754 4.696 -1.290 28 HG12 ILE 3 2HG1 ILE 3 -8.159 6.795 -2.994 29 HG13 ILE 3 1HG1 ILE 3 -8.632 6.293 -1.379 30 HG21 ILE 3 1HG2 ILE 3 -5.246 4.279 -3.173 31 HG22 ILE 3 2HG2 ILE 3 -5.109 5.954 -2.640 32 HG23 ILE 3 3HG2 ILE 3 -6.016 5.568 -4.101 33 HD11 ILE 3 3HD1 ILE 3 -7.552 8.425 -1.308 34 HD12 ILE 3 1HD1 ILE 3 -6.122 7.790 -2.121 35 HD13 ILE 3 2HD1 ILE 3 -6.540 7.233 -0.497 36 H LYS 4 H LYS 4 -7.676 3.256 -5.299 37 HA LYS 4 HA LYS 4 -6.796 0.541 -4.607 38 HB2 LYS 4 2HB LYS 4 -7.412 1.849 -7.286 39 HB3 LYS 4 1HB LYS 4 -6.724 0.234 -7.156 40 HG2 LYS 4 2HG LYS 4 -8.732 -0.428 -5.774 41 HG3 LYS 4 1HG LYS 4 -9.438 1.147 -6.163 42 HD2 LYS 4 2HD LYS 4 -9.419 0.619 -8.551 43 HD3 LYS 4 1HD LYS 4 -8.562 -0.895 -8.245 44 HE2 LYS 4 2HE LYS 4 -11.386 -0.227 -7.361 45 HE3 LYS 4 1HE LYS 4 -10.924 -1.321 -8.661 46 HZ1 LYS 4 3HZ LYS 4 -10.252 -1.698 -5.794 47 HZ2 LYS 4 1HZ LYS 4 -9.861 -2.753 -7.053 48 HZ3 LYS 4 2HZ LYS 4 -11.479 -2.512 -6.629 49 H GLY 5 H GLY 5 -4.742 -0.046 -4.550 50 HA2 GLY 5 2HA GLY 5 -2.636 1.684 -5.741 51 HA3 GLY 5 1HA GLY 5 -2.486 0.914 -4.164 52 H VAL 6 H VAL 6 -0.971 0.615 -6.811 53 HA VAL 6 HA VAL 6 -1.385 -2.227 -7.415 54 HB VAL 6 HB VAL 6 0.409 -0.121 -8.707 55 HG11 VAL 6 1HG1 VAL 6 -0.053 -2.995 -9.578 56 HG12 VAL 6 2HG1 VAL 6 1.456 -2.328 -8.951 57 HG13 VAL 6 3HG1 VAL 6 0.824 -1.771 -10.501 58 HG21 VAL 6 3HG2 VAL 6 -1.192 -0.265 -10.589 59 HG22 VAL 6 1HG2 VAL 6 -1.991 0.239 -9.096 60 HG23 VAL 6 2HG2 VAL 6 -2.166 -1.419 -9.674 61 H VAL 7 H VAL 7 -0.111 -3.799 -6.671 62 HA VAL 7 HA VAL 7 1.807 -3.384 -4.606 63 HB VAL 7 HB VAL 7 1.332 -5.954 -6.206 64 HG11 VAL 7 1HG1 VAL 7 2.470 -5.596 -3.407 65 HG12 VAL 7 2HG1 VAL 7 3.387 -6.022 -4.853 66 HG13 VAL 7 3HG1 VAL 7 2.178 -7.138 -4.217 67 HG21 VAL 7 3HG2 VAL 7 -0.290 -6.620 -4.464 68 HG22 VAL 7 1HG2 VAL 7 -0.805 -5.158 -5.307 69 HG23 VAL 7 2HG2 VAL 7 -0.112 -5.042 -3.691 70 H LEU 8 H LEU 8 3.575 -2.214 -5.303 71 HA LEU 8 HA LEU 8 4.965 -2.798 -7.769 72 HB2 LEU 8 2HB LEU 8 5.790 -1.006 -5.445 73 HB3 LEU 8 1HB LEU 8 6.593 -1.079 -7.006 74 HG LEU 8 HG LEU 8 3.770 -0.065 -6.482 75 HD11 LEU 8 1HD1 LEU 8 4.633 2.123 -7.209 76 HD12 LEU 8 2HD1 LEU 8 6.253 1.442 -7.368 77 HD13 LEU 8 3HD1 LEU 8 5.485 1.528 -5.783 78 HD21 LEU 8 3HD2 LEU 8 5.219 -0.308 -9.139 79 HD22 LEU 8 1HD2 LEU 8 3.682 0.522 -8.875 80 HD23 LEU 8 2HD2 LEU 8 3.793 -1.216 -8.625 81 H SER 9 H SER 9 5.746 -3.161 -4.281 82 HA SER 9 HA SER 9 7.206 -5.592 -4.708 83 HB2 SER 9 2HB SER 9 8.829 -3.802 -5.565 84 HB3 SER 9 1HB SER 9 8.926 -3.194 -3.911 85 HG SER 9 HG SER 9 9.574 -5.808 -4.803 86 H TYR 10 H TYR 10 8.574 -6.077 -2.611 87 HA TYR 10 HA TYR 10 7.295 -5.051 -0.143 88 HB2 TYR 10 2HB TYR 10 8.121 -7.962 -0.659 89 HB3 TYR 10 1HB TYR 10 7.494 -7.332 0.860 90 HD1 TYR 10 HD2 TYR 10 5.069 -6.823 1.099 91 HD2 TYR 10 HD1 TYR 10 6.619 -8.459 -2.536 92 HE1 TYR 10 HE2 TYR 10 2.791 -7.414 0.382 93 HE2 TYR 10 HE1 TYR 10 4.341 -9.047 -3.244 94 HH TYR 10 HH TYR 10 2.126 -9.502 -2.146 95 H ARG 11 H ARG 11 8.819 -4.302 1.265 96 HA ARG 11 HA ARG 11 11.538 -5.498 1.261 97 HB2 ARG 11 2HB ARG 11 10.581 -2.825 2.415 98 HB3 ARG 11 1HB ARG 11 12.135 -3.544 2.825 99 HG2 ARG 11 2HG ARG 11 12.577 -1.914 1.158 100 HG3 ARG 11 1HG ARG 11 12.719 -3.478 0.358 101 HD2 ARG 11 2HD ARG 11 10.359 -3.156 -0.486 102 HD3 ARG 11 1HD ARG 11 10.403 -1.531 0.192 103 HE ARG 11 HE ARG 11 11.913 -0.869 -1.456 104 HH11 ARG 11 1HH1 ARG 11 11.119 -4.275 -1.814 105 HH12 ARG 11 2HH1 ARG 11 11.736 -4.374 -3.432 106 HH21 ARG 11 1HH2 ARG 11 12.707 -1.010 -3.584 107 HH22 ARG 11 2HH2 ARG 11 12.637 -2.524 -4.431 108 H ARG 12 H ARG 12 11.539 -7.172 2.664 109 HA ARG 12 HA ARG 12 9.834 -7.280 4.972 110 HB2 ARG 12 2HB ARG 12 10.837 -9.384 5.498 111 HB3 ARG 12 1HB ARG 12 10.719 -9.345 3.747 112 HG2 ARG 12 2HG ARG 12 13.118 -8.872 3.561 113 HG3 ARG 12 1HG ARG 12 13.255 -8.784 5.319 114 HD2 ARG 12 2HD ARG 12 12.427 -11.215 5.373 115 HD3 ARG 12 1HD ARG 12 12.673 -11.232 3.621 116 HE ARG 12 HE ARG 12 15.030 -10.316 4.822 117 HH11 ARG 12 1HH1 ARG 12 13.215 -13.340 4.660 118 HH12 ARG 12 2HH1 ARG 12 14.631 -14.323 4.889 119 HH21 ARG 12 1HH2 ARG 12 16.852 -11.619 5.135 120 HH22 ARG 12 2HH2 ARG 12 16.685 -13.350 5.155 121 H SER 13 H SER 13 10.429 -6.929 7.112 122 HA SER 13 HA SER 13 12.186 -4.868 7.760 123 HB2 SER 13 2HB SER 13 11.087 -7.085 9.542 124 HB3 SER 13 1HB SER 13 11.702 -5.529 10.104 125 HG SER 13 HG SER 13 9.251 -6.069 9.474 126 H LYS 14 H LYS 14 14.245 -4.875 8.836 127 HA LYS 14 HA LYS 14 16.020 -7.039 7.970 128 HB2 LYS 14 2HB LYS 14 16.367 -4.375 7.849 129 HB3 LYS 14 1HB LYS 14 17.038 -4.601 9.451 130 HG2 LYS 14 2HG LYS 14 18.020 -5.886 6.879 131 HG3 LYS 14 1HG LYS 14 18.793 -4.562 7.747 132 HD2 LYS 14 2HD LYS 14 19.143 -6.143 9.690 133 HD3 LYS 14 1HD LYS 14 18.514 -7.446 8.676 134 HE2 LYS 14 2HE LYS 14 20.945 -7.491 8.643 135 HE3 LYS 14 1HE LYS 14 20.360 -7.022 7.048 136 HZ1 LYS 14 3HZ LYS 14 21.279 -5.106 9.118 137 HZ2 LYS 14 1HZ LYS 14 20.891 -4.753 7.513 138 HZ3 LYS 14 2HZ LYS 14 22.253 -5.687 7.865 139 H GLU 15 H GLU 15 15.398 -5.212 10.974 140 HA GLU 15 HA GLU 15 16.801 -7.029 12.702 141 HB2 GLU 15 2HB GLU 15 14.794 -4.836 13.405 142 HB3 GLU 15 1HB GLU 15 15.893 -5.629 14.530 143 HG2 GLU 15 2HG GLU 15 17.830 -4.685 13.260 144 HG3 GLU 15 1HG GLU 15 16.694 -3.844 12.208 145 H ASN 16 H ASN 16 13.626 -6.906 11.420 146 HA ASN 16 HA ASN 16 12.623 -9.042 13.218 147 HB2 ASN 16 2HB ASN 16 11.001 -6.757 11.981 148 HB3 ASN 16 1HB ASN 16 10.369 -8.039 13.015 149 HD21 ASN 16 1HD2 ASN 16 10.711 -7.912 15.254 150 HD22 ASN 16 2HD2 ASN 16 11.329 -6.487 16.014 151 H GLN 17 H GLN 17 10.595 -10.105 12.029 152 HA GLN 17 HA GLN 17 10.798 -10.054 9.079 153 HB2 GLN 17 2HB GLN 17 10.542 -12.594 10.758 154 HB3 GLN 17 1HB GLN 17 10.348 -12.526 9.010 155 HG2 GLN 17 2HG GLN 17 12.705 -11.695 8.825 156 HG3 GLN 17 1HG GLN 17 12.882 -11.920 10.560 157 HE21 GLN 17 1HE2 GLN 17 12.653 -13.507 7.476 158 HE22 GLN 17 2HE2 GLN 17 13.133 -15.077 8.011 159 H HIS 18 H HIS 18 8.980 -9.150 11.496 160 HA HIS 18 HA HIS 18 6.463 -9.464 9.961 161 HB2 HIS 18 2HB HIS 18 6.811 -9.336 12.986 162 HB3 HIS 18 1HB HIS 18 5.265 -8.992 12.210 163 HD1 HIS 18 HD1 HIS 18 3.875 -10.966 11.446 164 HD2 HIS 18 HD2 HIS 18 7.638 -12.079 12.813 165 HE1 HIS 18 HE1 HIS 18 3.835 -13.469 11.571 166 HE2 HIS 18 HE2 HIS 18 6.068 -14.106 12.532 167 H ASN 19 H ASN 19 4.945 -7.595 10.465 168 HA ASN 19 HA ASN 19 4.428 -5.422 10.079 169 HB2 ASN 19 2HB ASN 19 6.860 -4.733 11.798 170 HB3 ASN 19 1HB ASN 19 5.456 -3.711 11.494 171 HD21 ASN 19 1HD2 ASN 19 3.439 -4.291 12.484 172 HD22 ASN 19 2HD2 ASN 19 3.398 -5.310 13.876 173 H ASN 20 H ASN 20 5.738 -6.667 8.082 174 HA ASN 20 HA ASN 20 8.151 -5.328 7.204 175 HB2 ASN 20 2HB ASN 20 6.451 -7.304 5.620 176 HB3 ASN 20 1HB ASN 20 8.140 -6.887 5.338 177 HD21 ASN 20 1HD2 ASN 20 5.971 -8.828 7.151 178 HD22 ASN 20 2HD2 ASN 20 7.157 -9.736 8.003 179 H VAL 21 H VAL 21 8.348 -4.166 5.230 180 HA VAL 21 HA VAL 21 6.150 -2.273 4.873 181 HB VAL 21 HB VAL 21 8.989 -2.190 3.713 182 HG11 VAL 21 1HG1 VAL 21 8.574 0.228 3.420 183 HG12 VAL 21 2HG1 VAL 21 6.932 0.025 4.030 184 HG13 VAL 21 3HG1 VAL 21 7.408 -0.741 2.513 185 HG21 VAL 21 3HG2 VAL 21 9.584 -0.672 5.567 186 HG22 VAL 21 1HG2 VAL 21 9.099 -2.259 6.173 187 HG23 VAL 21 2HG2 VAL 21 7.982 -0.897 6.276 188 H MET 22 H MET 22 5.198 -1.844 2.887 189 HA MET 22 HA MET 22 5.693 -3.669 0.608 190 HB2 MET 22 2HB MET 22 3.780 -4.476 1.962 191 HB3 MET 22 1HB MET 22 3.016 -2.897 1.861 192 HG2 MET 22 2HG MET 22 2.607 -3.177 -0.494 193 HG3 MET 22 1HG MET 22 3.552 -4.674 -0.534 194 HE1 MET 22 3HE MET 22 -0.169 -5.944 -0.969 195 HE2 MET 22 1HE MET 22 1.449 -5.958 -1.666 196 HE3 MET 22 2HE MET 22 0.517 -4.459 -1.627 197 H ILE 23 H ILE 23 6.230 -2.427 -1.074 198 HA ILE 23 HA ILE 23 5.728 0.413 -1.193 199 HB ILE 23 HB ILE 23 6.874 -1.338 -3.424 200 HG12 ILE 23 2HG1 ILE 23 8.216 -1.679 -1.369 201 HG13 ILE 23 1HG1 ILE 23 9.135 -0.793 -2.577 202 HG21 ILE 23 1HG2 ILE 23 7.163 1.648 -2.881 203 HG22 ILE 23 2HG2 ILE 23 6.193 0.911 -4.158 204 HG23 ILE 23 3HG2 ILE 23 7.950 0.763 -4.190 205 HD11 ILE 23 3HD1 ILE 23 8.705 1.295 -1.352 206 HD12 ILE 23 1HD1 ILE 23 9.521 0.087 -0.361 207 HD13 ILE 23 2HD1 ILE 23 7.798 0.383 -0.141 208 H ILE 24 H ILE 24 3.820 1.132 -1.752 209 HA ILE 24 HA ILE 24 2.072 -0.321 -3.654 210 HB ILE 24 HB ILE 24 1.380 1.510 -1.304 211 HG12 ILE 24 2HG1 ILE 24 0.845 -1.475 -1.659 212 HG13 ILE 24 1HG1 ILE 24 2.129 -0.794 -0.670 213 HG21 ILE 24 1HG2 ILE 24 -0.555 0.142 -3.203 214 HG22 ILE 24 2HG2 ILE 24 -0.255 1.877 -3.099 215 HG23 ILE 24 3HG2 ILE 24 -1.003 1.029 -1.744 216 HD11 ILE 24 3HD1 ILE 24 -0.834 -0.496 -0.192 217 HD12 ILE 24 1HD1 ILE 24 0.443 0.250 0.775 218 HD13 ILE 24 2HD1 ILE 24 0.301 -1.505 0.706 219 H LYS 25 H LYS 25 1.146 0.844 -5.314 220 HA LYS 25 HA LYS 25 1.905 3.682 -5.724 221 HB2 LYS 25 2HB LYS 25 2.796 2.290 -7.498 222 HB3 LYS 25 1HB LYS 25 1.268 1.443 -7.698 223 HG2 LYS 25 2HG LYS 25 0.242 3.550 -8.555 224 HG3 LYS 25 1HG LYS 25 1.804 4.357 -8.413 225 HD2 LYS 25 2HD LYS 25 1.308 1.898 -10.127 226 HD3 LYS 25 1HD LYS 25 1.219 3.549 -10.741 227 HE2 LYS 25 2HE LYS 25 3.679 2.265 -9.511 228 HE3 LYS 25 1HE LYS 25 3.395 2.500 -11.236 229 HZ1 LYS 25 3HZ LYS 25 4.795 4.250 -10.319 230 HZ2 LYS 25 1HZ LYS 25 3.584 4.666 -9.217 231 HZ3 LYS 25 2HZ LYS 25 3.330 4.882 -10.869 232 HA PRO 26 HA PRO 26 -2.721 3.833 -4.916 233 HB2 PRO 26 2HB PRO 26 -2.652 6.456 -3.963 234 HB3 PRO 26 1HB PRO 26 -2.454 5.028 -2.929 235 HG2 PRO 26 2HG PRO 26 -0.343 6.811 -4.093 236 HG3 PRO 26 1HG PRO 26 -0.456 6.125 -2.453 237 HD2 PRO 26 2HD PRO 26 1.173 5.045 -4.312 238 HD3 PRO 26 1HD PRO 26 0.312 4.025 -3.134 239 H LEU 27 H LEU 27 -3.527 3.930 -6.914 240 HA LEU 27 HA LEU 27 -2.541 5.399 -9.103 241 HB2 LEU 27 2HB LEU 27 -5.242 4.047 -8.738 242 HB3 LEU 27 1HB LEU 27 -4.602 4.600 -10.280 243 HG LEU 27 HG LEU 27 -3.421 2.388 -8.552 244 HD11 LEU 27 1HD1 LEU 27 -5.487 1.694 -9.641 245 HD12 LEU 27 2HD1 LEU 27 -4.106 0.877 -10.367 246 HD13 LEU 27 3HD1 LEU 27 -4.876 2.225 -11.212 247 HD21 LEU 27 3HD2 LEU 27 -1.869 1.992 -10.454 248 HD22 LEU 27 1HD2 LEU 27 -1.612 3.553 -9.677 249 HD23 LEU 27 2HD2 LEU 27 -2.455 3.465 -11.225 250 H ASP 28 H ASP 28 -5.117 6.048 -6.840 251 HA ASP 28 HA ASP 28 -6.373 8.257 -8.054 252 HB2 ASP 28 2HB ASP 28 -6.025 7.613 -5.080 253 HB3 ASP 28 1HB ASP 28 -7.172 8.777 -5.722 254 H VAL 29 H VAL 29 -3.327 7.974 -6.488 255 HA VAL 29 HA VAL 29 -3.003 10.879 -6.010 256 HB VAL 29 HB VAL 29 -1.779 8.442 -4.629 257 HG11 VAL 29 1HG1 VAL 29 -0.607 9.984 -3.110 258 HG12 VAL 29 2HG1 VAL 29 -1.121 11.354 -4.091 259 HG13 VAL 29 3HG1 VAL 29 -0.034 10.144 -4.771 260 HG21 VAL 29 3HG2 VAL 29 -4.082 8.932 -3.930 261 HG22 VAL 29 1HG2 VAL 29 -3.632 10.597 -3.549 262 HG23 VAL 29 2HG2 VAL 29 -2.951 9.262 -2.615 263 H ASN 30 H ASN 30 -1.366 11.921 -7.023 264 HA ASN 30 HA ASN 30 1.020 10.476 -8.018 265 HB2 ASN 30 2HB ASN 30 -0.590 12.564 -9.546 266 HB3 ASN 30 1HB ASN 30 1.067 12.157 -9.967 267 HD21 ASN 30 1HD2 ASN 30 0.755 9.273 -9.448 268 HD22 ASN 30 2HD2 ASN 30 -0.207 8.667 -10.744 269 H SER 31 H SER 31 0.064 12.419 -5.728 270 HA SER 31 HA SER 31 2.275 14.389 -5.920 271 HB2 SER 31 2HB SER 31 -0.455 14.869 -4.647 272 HB3 SER 31 1HB SER 31 0.829 16.058 -4.895 273 HG SER 31 HG SER 31 0.527 15.423 -7.234 274 H ARG 32 H ARG 32 3.340 14.889 -3.989 275 HA ARG 32 HA ARG 32 3.629 12.773 -2.127 276 HB2 ARG 32 2HB ARG 32 5.465 14.328 -2.855 277 HB3 ARG 32 1HB ARG 32 4.711 15.615 -1.926 278 HG2 ARG 32 2HG ARG 32 5.056 14.229 0.154 279 HG3 ARG 32 1HG ARG 32 5.941 13.059 -0.828 280 HD2 ARG 32 2HD ARG 32 7.611 14.782 -1.404 281 HD3 ARG 32 1HD ARG 32 6.701 15.985 -0.484 282 HE ARG 32 HE ARG 32 7.470 13.717 1.098 283 HH11 ARG 32 1HH1 ARG 32 8.642 16.809 -0.126 284 HH12 ARG 32 2HH1 ARG 32 9.829 16.984 1.130 285 HH21 ARG 32 1HH2 ARG 32 9.065 13.979 2.723 286 HH22 ARG 32 2HH2 ARG 32 10.063 15.397 2.721 287 H GLU 33 H GLU 33 1.914 15.898 -1.984 288 HA GLU 33 HA GLU 33 1.214 15.877 0.786 289 HB2 GLU 33 2HB GLU 33 -0.244 17.200 -1.553 290 HB3 GLU 33 1HB GLU 33 -0.578 17.510 0.147 291 HG2 GLU 33 2HG GLU 33 1.722 18.404 0.424 292 HG3 GLU 33 1HG GLU 33 2.010 18.140 -1.296 293 H GLU 34 H GLU 34 -0.390 14.695 -2.131 294 HA GLU 34 HA GLU 34 -2.777 13.788 -0.830 295 HB2 GLU 34 2HB GLU 34 -1.699 13.038 -3.576 296 HB3 GLU 34 1HB GLU 34 -3.344 12.786 -3.008 297 HG2 GLU 34 2HG GLU 34 -1.986 15.428 -3.574 298 HG3 GLU 34 1HG GLU 34 -3.313 14.699 -4.474 299 H ALA 35 H ALA 35 0.353 12.410 -1.430 300 HA ALA 35 HA ALA 35 -0.347 9.703 -0.670 301 HB1 ALA 35 3HB ALA 35 2.099 9.310 -0.754 302 HB2 ALA 35 1HB ALA 35 2.369 11.044 -0.977 303 HB3 ALA 35 2HB ALA 35 1.523 10.115 -2.215 304 H SER 36 H SER 36 0.791 12.638 0.876 305 HA SER 36 HA SER 36 1.711 11.429 3.323 306 HB2 SER 36 2HB SER 36 2.692 13.539 2.486 307 HB3 SER 36 1HB SER 36 1.150 14.364 2.702 308 HG SER 36 HG SER 36 1.357 14.190 4.882 309 H LYS 37 H LYS 37 -1.373 12.680 2.179 310 HA LYS 37 HA LYS 37 -2.574 12.740 4.833 311 HB2 LYS 37 2HB LYS 37 -4.682 13.251 3.704 312 HB3 LYS 37 1HB LYS 37 -3.394 14.265 3.074 313 HG2 LYS 37 2HG LYS 37 -3.227 12.793 1.073 314 HG3 LYS 37 1HG LYS 37 -4.555 11.816 1.705 315 HD2 LYS 37 2HD LYS 37 -5.314 13.435 -0.030 316 HD3 LYS 37 1HD LYS 37 -6.094 13.710 1.529 317 HE2 LYS 37 2HE LYS 37 -4.575 15.586 1.975 318 HE3 LYS 37 1HE LYS 37 -3.728 15.281 0.457 319 HZ1 LYS 37 3HZ LYS 37 -5.368 17.098 0.329 320 HZ2 LYS 37 1HZ LYS 37 -6.610 15.990 0.629 321 HZ3 LYS 37 2HZ LYS 37 -5.671 15.854 -0.771 322 H LEU 38 H LEU 38 -1.626 10.264 2.845 323 HA LEU 38 HA LEU 38 -3.759 8.390 3.521 324 HB2 LEU 38 2HB LEU 38 -1.097 7.847 2.144 325 HB3 LEU 38 1HB LEU 38 -2.466 6.752 2.239 326 HG LEU 38 HG LEU 38 -2.298 9.326 0.634 327 HD11 LEU 38 1HD1 LEU 38 -2.557 6.446 -0.276 328 HD12 LEU 38 2HD1 LEU 38 -1.133 7.477 -0.417 329 HD13 LEU 38 3HD1 LEU 38 -2.587 7.866 -1.329 330 HD21 LEU 38 3HD2 LEU 38 -4.561 8.856 -0.196 331 HD22 LEU 38 1HD2 LEU 38 -4.546 9.169 1.539 332 HD23 LEU 38 2HD2 LEU 38 -4.705 7.516 0.946 333 H ILE 39 H ILE 39 -0.945 9.583 5.023 334 HA ILE 39 HA ILE 39 0.077 7.268 6.303 335 HB ILE 39 HB ILE 39 0.267 10.141 7.331 336 HG12 ILE 39 2HG1 ILE 39 1.153 10.057 5.042 337 HG13 ILE 39 1HG1 ILE 39 2.478 10.258 6.179 338 HG21 ILE 39 1HG2 ILE 39 2.327 9.362 8.500 339 HG22 ILE 39 2HG2 ILE 39 2.010 7.718 7.946 340 HG23 ILE 39 3HG2 ILE 39 0.884 8.505 9.053 341 HD11 ILE 39 3HD1 ILE 39 3.112 8.743 4.460 342 HD12 ILE 39 1HD1 ILE 39 1.687 7.747 4.736 343 HD13 ILE 39 2HD1 ILE 39 2.951 7.838 5.963 344 H GLY 40 H GLY 40 -1.257 6.020 7.470 345 HA2 GLY 40 2HA GLY 40 -2.035 5.748 9.807 346 HA3 GLY 40 1HA GLY 40 -2.958 7.231 9.597 347 H ARG 41 H ARG 41 -3.251 5.756 6.664 348 HA ARG 41 HA ARG 41 -5.930 4.796 7.290 349 HB2 ARG 41 2HB ARG 41 -4.489 5.017 4.612 350 HB3 ARG 41 1HB ARG 41 -6.181 4.564 4.809 351 HG2 ARG 41 2HG ARG 41 -6.631 6.791 5.822 352 HG3 ARG 41 1HG ARG 41 -4.946 7.233 5.552 353 HD2 ARG 41 2HD ARG 41 -5.347 6.841 3.076 354 HD3 ARG 41 1HD ARG 41 -7.070 6.679 3.454 355 HE ARG 41 HE ARG 41 -5.796 9.095 4.446 356 HH11 ARG 41 1HH1 ARG 41 -7.622 7.738 1.756 357 HH12 ARG 41 2HH1 ARG 41 -8.141 9.290 1.177 358 HH21 ARG 41 1HH2 ARG 41 -6.428 11.105 3.637 359 HH22 ARG 41 2HH2 ARG 41 -7.463 11.203 2.246 360 H LEU 42 H LEU 42 -6.741 2.765 6.530 361 HA LEU 42 HA LEU 42 -4.934 0.551 7.160 362 HB2 LEU 42 2HB LEU 42 -7.011 0.724 8.451 363 HB3 LEU 42 1HB LEU 42 -7.964 0.758 6.979 364 HG LEU 42 HG LEU 42 -7.308 -1.596 6.493 365 HD11 LEU 42 1HD1 LEU 42 -5.885 -1.527 9.167 366 HD12 LEU 42 2HD1 LEU 42 -5.139 -1.701 7.575 367 HD13 LEU 42 3HD1 LEU 42 -6.190 -2.971 8.196 368 HD21 LEU 42 3HD2 LEU 42 -8.556 -1.227 9.230 369 HD22 LEU 42 1HD2 LEU 42 -8.674 -2.675 8.224 370 HD23 LEU 42 2HD2 LEU 42 -9.399 -1.163 7.681 371 H VAL 43 H VAL 43 -4.044 -0.506 5.478 372 HA VAL 43 HA VAL 43 -5.365 -0.572 2.843 373 HB VAL 43 HB VAL 43 -2.544 -1.563 3.506 374 HG11 VAL 43 1HG1 VAL 43 -2.184 -1.388 1.072 375 HG12 VAL 43 2HG1 VAL 43 -3.844 -0.840 0.847 376 HG13 VAL 43 3HG1 VAL 43 -3.528 -2.475 1.429 377 HG21 VAL 43 3HG2 VAL 43 -3.358 1.178 2.470 378 HG22 VAL 43 1HG2 VAL 43 -1.702 0.580 2.610 379 HG23 VAL 43 2HG2 VAL 43 -2.679 0.822 4.060 380 H LEU 44 H LEU 44 -6.121 -2.437 2.004 381 HA LEU 44 HA LEU 44 -5.936 -4.965 3.536 382 HB2 LEU 44 2HB LEU 44 -8.246 -3.997 1.784 383 HB3 LEU 44 1HB LEU 44 -8.215 -5.476 2.730 384 HG LEU 44 HG LEU 44 -8.271 -2.649 3.860 385 HD11 LEU 44 1HD1 LEU 44 -10.466 -4.746 3.797 386 HD12 LEU 44 2HD1 LEU 44 -10.412 -3.259 2.847 387 HD13 LEU 44 3HD1 LEU 44 -10.556 -3.174 4.600 388 HD21 LEU 44 3HD2 LEU 44 -7.030 -4.114 5.353 389 HD22 LEU 44 1HD2 LEU 44 -8.339 -5.300 5.331 390 HD23 LEU 44 2HD2 LEU 44 -8.591 -3.712 6.061 391 H TRP 45 H TRP 45 -4.354 -6.039 2.360 392 HA TRP 45 HA TRP 45 -4.831 -6.408 -0.547 393 HB2 TRP 45 2HB TRP 45 -2.541 -5.599 -0.063 394 HB3 TRP 45 1HB TRP 45 -2.277 -6.948 1.044 395 HD1 TRP 45 HD1 TRP 45 -3.180 -6.485 -2.734 396 HE1 TRP 45 HE1 TRP 45 -2.051 -8.354 -4.074 397 HE3 TRP 45 HE3 TRP 45 -1.017 -9.059 1.114 398 HZ2 TRP 45 HZ2 TRP 45 -0.457 -10.611 -3.578 399 HZ3 TRP 45 HZ3 TRP 45 0.299 -11.070 0.587 400 HH2 TRP 45 HH2 TRP 45 0.570 -11.836 -1.719 401 H LYS 46 H LYS 46 -5.545 -8.344 -1.172 402 HA LYS 46 HA LYS 46 -5.819 -10.524 0.782 403 HB2 LYS 46 2HB LYS 46 -7.834 -9.610 -0.431 404 HB3 LYS 46 1HB LYS 46 -7.136 -10.173 -1.947 405 HG2 LYS 46 2HG LYS 46 -7.229 -12.513 -1.099 406 HG3 LYS 46 1HG LYS 46 -7.960 -11.931 0.397 407 HD2 LYS 46 2HD LYS 46 -9.167 -11.661 -2.384 408 HD3 LYS 46 1HD LYS 46 -9.666 -12.829 -1.164 409 HE2 LYS 46 2HE LYS 46 -10.458 -11.042 0.289 410 HE3 LYS 46 1HE LYS 46 -9.833 -9.816 -0.813 411 HZ1 LYS 46 3HZ LYS 46 -11.965 -11.767 -1.486 412 HZ2 LYS 46 1HZ LYS 46 -11.426 -10.503 -2.466 413 HZ3 LYS 46 2HZ LYS 46 -12.238 -10.167 -1.023 414 H SER 47 H SER 47 -4.321 -12.043 0.705 415 HA SER 47 HA SER 47 -2.417 -12.389 -1.406 416 HB2 SER 47 2HB SER 47 -1.495 -14.168 0.066 417 HB3 SER 47 1HB SER 47 -1.820 -12.709 0.992 418 HG SER 47 HG SER 47 -3.137 -13.803 2.176 419 HA PRO 48 HA PRO 48 -4.313 -15.875 -3.715 420 HB2 PRO 48 2HB PRO 48 -2.143 -17.531 -4.146 421 HB3 PRO 48 1HB PRO 48 -2.369 -16.000 -5.016 422 HG2 PRO 48 2HG PRO 48 -0.702 -16.504 -2.556 423 HG3 PRO 48 1HG PRO 48 -0.239 -15.688 -4.070 424 HD2 PRO 48 2HD PRO 48 -0.946 -14.228 -1.954 425 HD3 PRO 48 1HD PRO 48 -1.510 -13.760 -3.576 426 H SER 49 H SER 49 -2.695 -16.295 -0.703 427 HA SER 49 HA SER 49 -3.421 -18.981 -0.084 428 HB2 SER 49 2HB SER 49 -2.736 -16.669 1.791 429 HB3 SER 49 1HB SER 49 -2.682 -18.386 2.191 430 HG SER 49 HG SER 49 -1.143 -18.355 0.215 431 H GLY 50 H GLY 50 -5.181 -16.015 -0.138 432 HA2 GLY 50 2HA GLY 50 -7.506 -15.759 0.117 433 HA3 GLY 50 1HA GLY 50 -7.569 -17.206 1.111 434 H LYS 51 H LYS 51 -5.000 -15.260 2.054 435 HA LYS 51 HA LYS 51 -6.413 -14.353 4.460 436 HB2 LYS 51 2HB LYS 51 -3.479 -14.784 3.770 437 HB3 LYS 51 1HB LYS 51 -3.913 -13.753 5.128 438 HG2 LYS 51 2HG LYS 51 -3.400 -15.925 5.971 439 HG3 LYS 51 1HG LYS 51 -5.130 -15.667 6.156 440 HD2 LYS 51 2HD LYS 51 -5.521 -17.076 4.129 441 HD3 LYS 51 1HD LYS 51 -3.781 -17.351 4.011 442 HE2 LYS 51 2HE LYS 51 -3.806 -18.436 6.238 443 HE3 LYS 51 1HE LYS 51 -5.549 -18.171 6.340 444 HZ1 LYS 51 3HZ LYS 51 -4.144 -19.854 4.339 445 HZ2 LYS 51 1HZ LYS 51 -5.805 -19.566 4.358 446 HZ3 LYS 51 2HZ LYS 51 -5.081 -20.407 5.631 447 H ILE 52 H ILE 52 -7.191 -12.344 4.454 448 HA ILE 52 HA ILE 52 -6.139 -10.230 2.766 449 HB ILE 52 HB ILE 52 -8.211 -10.038 5.015 450 HG12 ILE 52 2HG1 ILE 52 -8.665 -10.325 2.002 451 HG13 ILE 52 1HG1 ILE 52 -8.918 -11.598 3.185 452 HG21 ILE 52 1HG2 ILE 52 -8.876 -7.892 3.952 453 HG22 ILE 52 2HG2 ILE 52 -7.569 -8.064 2.781 454 HG23 ILE 52 3HG2 ILE 52 -7.195 -7.844 4.492 455 HD11 ILE 52 3HD1 ILE 52 -11.010 -10.623 2.506 456 HD12 ILE 52 1HD1 ILE 52 -10.470 -9.020 3.005 457 HD13 ILE 52 2HD1 ILE 52 -10.711 -10.287 4.211 458 H LEU 53 H LEU 53 -4.057 -9.852 3.353 459 HA LEU 53 HA LEU 53 -3.136 -9.467 6.041 460 HB2 LEU 53 2HB LEU 53 -1.816 -8.562 3.443 461 HB3 LEU 53 1HB LEU 53 -1.038 -8.713 5.008 462 HG LEU 53 HG LEU 53 -1.991 -10.969 3.205 463 HD11 LEU 53 1HD1 LEU 53 0.150 -9.984 2.549 464 HD12 LEU 53 2HD1 LEU 53 0.376 -11.622 3.152 465 HD13 LEU 53 3HD1 LEU 53 0.795 -10.242 4.173 466 HD21 LEU 53 3HD2 LEU 53 -2.518 -11.627 5.484 467 HD22 LEU 53 1HD2 LEU 53 -0.886 -11.217 6.020 468 HD23 LEU 53 2HD2 LEU 53 -1.142 -12.554 4.897 469 H LYS 54 H LYS 54 -3.441 -7.657 7.220 470 HA LYS 54 HA LYS 54 -4.349 -5.180 5.886 471 HB2 LYS 54 2HB LYS 54 -4.591 -5.908 8.834 472 HB3 LYS 54 1HB LYS 54 -5.327 -4.535 8.015 473 HG2 LYS 54 2HG LYS 54 -6.608 -6.251 6.594 474 HG3 LYS 54 1HG LYS 54 -6.047 -7.467 7.741 475 HD2 LYS 54 2HD LYS 54 -7.825 -5.070 8.326 476 HD3 LYS 54 1HD LYS 54 -8.294 -6.768 8.352 477 HE2 LYS 54 2HE LYS 54 -6.390 -5.401 10.284 478 HE3 LYS 54 1HE LYS 54 -8.030 -5.941 10.630 479 HZ1 LYS 54 3HZ LYS 54 -5.739 -7.697 9.939 480 HZ2 LYS 54 1HZ LYS 54 -7.325 -8.214 10.215 481 HZ3 LYS 54 2HZ LYS 54 -6.436 -7.507 11.466 482 H GLY 55 H GLY 55 -3.274 -3.269 6.220 483 HA2 GLY 55 2HA GLY 55 -0.889 -3.173 7.946 484 HA3 GLY 55 1HA GLY 55 -0.691 -2.906 6.216 485 H LYS 56 H LYS 56 0.126 -0.947 7.808 486 HA LYS 56 HA LYS 56 -1.892 1.200 7.396 487 HB2 LYS 56 2HB LYS 56 -1.587 0.792 9.825 488 HB3 LYS 56 1HB LYS 56 0.152 1.009 9.660 489 HG2 LYS 56 2HG LYS 56 -0.258 3.375 8.909 490 HG3 LYS 56 1HG LYS 56 -1.981 3.141 9.209 491 HD2 LYS 56 2HD LYS 56 0.242 3.014 11.282 492 HD3 LYS 56 1HD LYS 56 -0.929 4.317 11.086 493 HE2 LYS 56 2HE LYS 56 -2.754 2.776 11.680 494 HE3 LYS 56 1HE LYS 56 -1.594 1.458 11.857 495 HZ1 LYS 56 3HZ LYS 56 -2.171 2.419 13.986 496 HZ2 LYS 56 1HZ LYS 56 -1.654 3.944 13.477 497 HZ3 LYS 56 2HZ LYS 56 -0.537 2.694 13.650 498 H ILE 57 H ILE 57 -1.186 2.773 6.084 499 HA ILE 57 HA ILE 57 1.446 2.896 5.007 500 HB ILE 57 HB ILE 57 -0.722 5.050 4.985 501 HG12 ILE 57 2HG1 ILE 57 -0.080 2.897 2.913 502 HG13 ILE 57 1HG1 ILE 57 -1.466 2.887 3.995 503 HG21 ILE 57 1HG2 ILE 57 0.476 6.007 3.056 504 HG22 ILE 57 2HG2 ILE 57 1.706 4.748 3.172 505 HG23 ILE 57 3HG2 ILE 57 1.545 5.938 4.460 506 HD11 ILE 57 3HD1 ILE 57 -2.123 3.562 1.797 507 HD12 ILE 57 1HD1 ILE 57 -0.942 4.873 1.795 508 HD13 ILE 57 2HD1 ILE 57 -2.309 4.913 2.915 509 H VAL 58 H VAL 58 3.030 3.177 6.439 510 HA VAL 58 HA VAL 58 2.819 4.914 8.773 511 HB VAL 58 HB VAL 58 5.041 4.027 9.409 512 HG11 VAL 58 1HG1 VAL 58 4.400 1.662 9.732 513 HG12 VAL 58 2HG1 VAL 58 3.111 1.848 8.542 514 HG13 VAL 58 3HG1 VAL 58 3.052 2.756 10.054 515 HG21 VAL 58 3HG2 VAL 58 6.190 2.294 8.057 516 HG22 VAL 58 1HG2 VAL 58 6.073 3.819 7.173 517 HG23 VAL 58 2HG2 VAL 58 4.988 2.486 6.778 518 H ARG 59 H ARG 59 4.378 4.899 5.645 519 HA ARG 59 HA ARG 59 5.277 7.635 5.889 520 HB2 ARG 59 2HB ARG 59 7.136 6.304 6.961 521 HB3 ARG 59 1HB ARG 59 7.316 5.390 5.469 522 HG2 ARG 59 2HG ARG 59 9.058 7.113 5.683 523 HG3 ARG 59 1HG ARG 59 8.032 7.412 4.279 524 HD2 ARG 59 2HD ARG 59 6.782 9.119 5.585 525 HD3 ARG 59 1HD ARG 59 7.852 8.843 6.962 526 HE ARG 59 HE ARG 59 8.777 9.872 4.339 527 HH11 ARG 59 1HH1 ARG 59 8.876 9.993 7.846 528 HH12 ARG 59 2HH1 ARG 59 10.066 11.251 7.887 529 HH21 ARG 59 1HH2 ARG 59 10.333 11.522 4.411 530 HH22 ARG 59 2HH2 ARG 59 10.887 12.113 5.941 531 H VAL 60 H VAL 60 5.959 8.470 3.818 532 HA VAL 60 HA VAL 60 4.702 7.149 1.521 533 HB VAL 60 HB VAL 60 5.060 9.350 0.368 534 HG11 VAL 60 1HG1 VAL 60 3.466 10.676 1.714 535 HG12 VAL 60 2HG1 VAL 60 3.745 9.615 3.097 536 HG13 VAL 60 3HG1 VAL 60 2.987 8.978 1.638 537 HG21 VAL 60 3HG2 VAL 60 6.277 10.265 3.008 538 HG22 VAL 60 1HG2 VAL 60 5.900 11.315 1.635 539 HG23 VAL 60 2HG2 VAL 60 7.139 10.069 1.482 540 H HIS 61 H HIS 61 5.879 7.407 -0.576 541 HA HIS 61 HA HIS 61 8.807 6.999 -0.416 542 HB2 HIS 61 2HB HIS 61 7.831 4.748 -0.546 543 HB3 HIS 61 1HB HIS 61 6.780 5.225 -1.873 544 HD1 HIS 61 HD1 HIS 61 10.497 4.778 -1.153 545 HD2 HIS 61 HD2 HIS 61 7.847 4.766 -4.354 546 HE1 HIS 61 HE1 HIS 61 11.843 4.094 -3.158 547 HE2 HIS 61 HE2 HIS 61 10.246 4.188 -5.087 548 H GLY 62 H GLY 62 9.424 8.861 -1.397 549 HA2 GLY 62 2HA GLY 62 9.836 10.369 -3.068 550 HA3 GLY 62 1HA GLY 62 9.053 9.270 -4.191 551 H THR 63 H THR 63 8.208 11.185 -5.211 552 HA THR 63 HA THR 63 6.164 12.727 -3.723 553 HB THR 63 HB THR 63 6.604 14.534 -5.398 554 HG1 THR 63 HG1 THR 63 8.019 14.263 -6.999 555 HG21 THR 63 3HG2 THR 63 9.108 13.586 -3.957 556 HG22 THR 63 1HG2 THR 63 7.819 14.558 -3.243 557 HG23 THR 63 2HG2 THR 63 8.810 15.225 -4.544 558 H LYS 64 H LYS 64 6.641 10.591 -6.445 559 HA LYS 64 HA LYS 64 4.324 11.618 -7.924 560 HB2 LYS 64 2HB LYS 64 6.492 9.611 -8.673 561 HB3 LYS 64 1HB LYS 64 5.133 9.997 -9.721 562 HG2 LYS 64 2HG LYS 64 7.292 11.919 -8.796 563 HG3 LYS 64 1HG LYS 64 7.089 11.261 -10.424 564 HD2 LYS 64 2HD LYS 64 4.865 12.413 -10.572 565 HD3 LYS 64 1HD LYS 64 5.149 13.114 -8.978 566 HE2 LYS 64 2HE LYS 64 5.648 14.768 -10.663 567 HE3 LYS 64 1HE LYS 64 7.163 14.280 -9.904 568 HZ1 LYS 64 3HZ LYS 64 7.664 12.915 -11.790 569 HZ2 LYS 64 1HZ LYS 64 7.290 14.468 -12.339 570 HZ3 LYS 64 2HZ LYS 64 6.157 13.222 -12.489 571 H GLY 65 H GLY 65 3.560 10.467 -5.551 572 HA2 GLY 65 2HA GLY 65 1.726 9.309 -4.856 573 HA3 GLY 65 1HA GLY 65 1.400 8.905 -6.531 574 H ALA 66 H ALA 66 3.982 8.093 -4.220 575 HA ALA 66 HA ALA 66 3.104 5.273 -4.238 576 HB1 ALA 66 3HB ALA 66 6.004 6.197 -4.368 577 HB2 ALA 66 1HB ALA 66 5.115 5.375 -5.651 578 HB3 ALA 66 2HB ALA 66 5.472 4.530 -4.145 579 H VAL 67 H VAL 67 3.193 4.300 -2.270 580 HA VAL 67 HA VAL 67 4.076 5.844 0.092 581 HB VAL 67 HB VAL 67 2.065 5.043 1.345 582 HG11 VAL 67 1HG1 VAL 67 2.071 7.325 0.460 583 HG12 VAL 67 2HG1 VAL 67 0.439 6.657 0.434 584 HG13 VAL 67 3HG1 VAL 67 1.375 6.762 -1.061 585 HG21 VAL 67 3HG2 VAL 67 0.076 4.184 0.124 586 HG22 VAL 67 1HG2 VAL 67 1.454 3.087 0.002 587 HG23 VAL 67 2HG2 VAL 67 1.027 4.120 -1.361 588 H ARG 68 H ARG 68 3.978 4.350 2.069 589 HA ARG 68 HA ARG 68 4.909 1.619 1.477 590 HB2 ARG 68 2HB ARG 68 6.378 3.756 3.078 591 HB3 ARG 68 1HB ARG 68 6.719 2.039 3.274 592 HG2 ARG 68 2HG ARG 68 7.282 1.901 0.855 593 HG3 ARG 68 1HG ARG 68 7.023 3.640 0.719 594 HD2 ARG 68 2HD ARG 68 9.037 2.432 2.627 595 HD3 ARG 68 1HD ARG 68 9.434 2.854 0.959 596 HE ARG 68 HE ARG 68 8.424 5.163 1.839 597 HH11 ARG 68 1HH1 ARG 68 10.767 3.034 3.371 598 HH12 ARG 68 2HH1 ARG 68 11.592 4.330 4.171 599 HH21 ARG 68 1HH2 ARG 68 9.591 6.854 2.797 600 HH22 ARG 68 2HH2 ARG 68 10.928 6.491 3.846 601 H ALA 69 H ALA 69 3.453 0.424 2.441 602 HA ALA 69 HA ALA 69 2.371 1.165 5.089 603 HB1 ALA 69 3HB ALA 69 1.247 -0.707 2.977 604 HB2 ALA 69 1HB ALA 69 0.697 0.937 3.316 605 HB3 ALA 69 2HB ALA 69 0.492 -0.327 4.528 606 H ARG 70 H ARG 70 3.025 -0.008 6.812 607 HA ARG 70 HA ARG 70 4.472 -2.532 6.428 608 HB2 ARG 70 2HB ARG 70 3.924 -0.992 9.004 609 HB3 ARG 70 1HB ARG 70 4.940 -2.425 8.855 610 HG2 ARG 70 2HG ARG 70 6.336 -1.035 7.181 611 HG3 ARG 70 1HG ARG 70 5.451 0.354 7.806 612 HD2 ARG 70 2HD ARG 70 7.320 -1.492 9.305 613 HD3 ARG 70 1HD ARG 70 7.510 0.239 9.013 614 HE ARG 70 HE ARG 70 5.307 0.287 10.471 615 HH11 ARG 70 1HH1 ARG 70 8.196 -1.666 11.032 616 HH12 ARG 70 2HH1 ARG 70 7.972 -1.704 12.753 617 HH21 ARG 70 1HH2 ARG 70 5.022 0.195 12.728 618 HH22 ARG 70 2HH2 ARG 70 6.175 -0.651 13.712 619 H PHE 71 H PHE 71 3.270 -4.251 6.171 620 HA PHE 71 HA PHE 71 0.604 -4.555 7.286 621 HB2 PHE 71 2HB PHE 71 2.290 -6.203 5.370 622 HB3 PHE 71 1HB PHE 71 0.767 -6.810 6.011 623 HD1 PHE 71 HD1 PHE 71 2.012 -3.599 4.438 624 HD2 PHE 71 HD2 PHE 71 -1.053 -6.572 4.597 625 HE1 PHE 71 HE1 PHE 71 0.769 -2.434 2.663 626 HE2 PHE 71 HE2 PHE 71 -2.280 -5.399 2.826 627 HZ PHE 71 HZ PHE 71 -1.374 -3.330 1.863 628 H GLU 72 H GLU 72 -0.017 -6.040 8.754 629 HA GLU 72 HA GLU 72 1.461 -6.446 11.024 630 HB2 GLU 72 2HB GLU 72 -0.378 -8.097 11.669 631 HB3 GLU 72 1HB GLU 72 -0.956 -6.538 11.098 632 HG2 GLU 72 2HG GLU 72 -1.508 -7.480 8.905 633 HG3 GLU 72 1HG GLU 72 -0.830 -9.037 9.369 634 H LYS 73 H LYS 73 0.865 -8.777 8.436 635 HA LYS 73 HA LYS 73 2.773 -10.726 9.552 636 HB2 LYS 73 2HB LYS 73 1.047 -11.018 7.054 637 HB3 LYS 73 1HB LYS 73 1.912 -12.294 7.902 638 HG2 LYS 73 2HG LYS 73 -0.479 -10.755 8.936 639 HG3 LYS 73 1HG LYS 73 -0.479 -12.421 8.355 640 HD2 LYS 73 2HD LYS 73 0.997 -13.078 10.249 641 HD3 LYS 73 1HD LYS 73 0.995 -11.406 10.827 642 HE2 LYS 73 2HE LYS 73 -0.601 -12.809 12.089 643 HE3 LYS 73 1HE LYS 73 -1.436 -11.526 11.208 644 HZ1 LYS 73 3HZ LYS 73 -2.578 -13.640 10.998 645 HZ2 LYS 73 1HZ LYS 73 -1.196 -14.358 10.347 646 HZ3 LYS 73 2HZ LYS 73 -1.995 -13.142 9.492 647 H GLY 74 H GLY 74 2.072 -8.802 6.650 648 HA2 GLY 74 2HA GLY 74 3.275 -8.133 4.842 649 HA3 GLY 74 1HA GLY 74 4.667 -8.117 5.917 650 H LEU 75 H LEU 75 2.631 -10.770 4.674 651 HA LEU 75 HA LEU 75 4.858 -12.518 4.286 652 HB2 LEU 75 2HB LEU 75 1.933 -12.787 3.485 653 HB3 LEU 75 1HB LEU 75 3.116 -14.066 3.264 654 HG LEU 75 HG LEU 75 2.299 -12.904 5.958 655 HD11 LEU 75 1HD1 LEU 75 1.524 -15.566 4.719 656 HD12 LEU 75 2HD1 LEU 75 0.461 -14.177 4.965 657 HD13 LEU 75 3HD1 LEU 75 1.133 -15.022 6.355 658 HD21 LEU 75 3HD2 LEU 75 3.577 -14.786 6.932 659 HD22 LEU 75 1HD2 LEU 75 4.609 -13.695 6.006 660 HD23 LEU 75 2HD2 LEU 75 4.128 -15.248 5.319 661 HA PRO 76 HA PRO 76 6.116 -11.312 0.138 662 HB2 PRO 76 2HB PRO 76 7.222 -13.703 -0.739 663 HB3 PRO 76 1HB PRO 76 8.030 -12.621 0.416 664 HG2 PRO 76 2HG PRO 76 6.388 -15.071 0.991 665 HG3 PRO 76 1HG PRO 76 7.963 -14.598 1.668 666 HD2 PRO 76 2HD PRO 76 5.720 -14.190 3.066 667 HD3 PRO 76 1HD PRO 76 7.024 -12.978 3.086 668 H GLY 77 H GLY 77 4.827 -11.031 -1.564 669 HA2 GLY 77 2HA GLY 77 2.804 -13.066 -2.321 670 HA3 GLY 77 1HA GLY 77 2.621 -11.331 -2.508 671 H GLN 78 H GLN 78 2.913 -13.947 -4.280 672 HA GLN 78 HA GLN 78 4.840 -13.101 -6.288 673 HB2 GLN 78 2HB GLN 78 4.324 -15.520 -5.687 674 HB3 GLN 78 1HB GLN 78 2.746 -15.320 -6.436 675 HG2 GLN 78 2HG GLN 78 3.882 -14.860 -8.616 676 HG3 GLN 78 1HG GLN 78 5.438 -15.130 -7.828 677 HE21 GLN 78 1HE2 GLN 78 5.968 -16.888 -9.150 678 HE22 GLN 78 2HE2 GLN 78 5.164 -18.415 -9.037 679 H ALA 79 H ALA 79 1.995 -11.860 -5.442 680 HA ALA 79 HA ALA 79 0.739 -11.506 -8.054 681 HB1 ALA 79 3HB ALA 79 -0.640 -12.175 -6.108 682 HB2 ALA 79 1HB ALA 79 -1.158 -10.632 -6.787 683 HB3 ALA 79 2HB ALA 79 -0.216 -10.668 -5.299 684 H LEU 80 H LEU 80 3.354 -10.140 -7.385 685 HA LEU 80 HA LEU 80 3.103 -7.392 -6.979 686 HB2 LEU 80 2HB LEU 80 4.998 -8.832 -8.877 687 HB3 LEU 80 1HB LEU 80 5.176 -7.153 -8.397 688 HG LEU 80 HG LEU 80 5.406 -9.566 -6.545 689 HD11 LEU 80 1HD1 LEU 80 7.792 -8.990 -6.402 690 HD12 LEU 80 2HD1 LEU 80 7.568 -7.701 -7.586 691 HD13 LEU 80 3HD1 LEU 80 7.324 -9.384 -8.056 692 HD21 LEU 80 3HD2 LEU 80 5.779 -6.618 -5.920 693 HD22 LEU 80 1HD2 LEU 80 6.151 -7.957 -4.828 694 HD23 LEU 80 2HD2 LEU 80 4.488 -7.666 -5.329 695 H GLY 81 H GLY 81 1.706 -6.064 -7.957 696 HA2 GLY 81 2HA GLY 81 1.249 -4.811 -10.081 697 HA3 GLY 81 1HA GLY 81 0.985 -6.384 -10.829 698 H ASP 82 H ASP 82 -0.205 -6.898 -7.889 699 HA ASP 82 HA ASP 82 -2.938 -6.886 -8.779 700 HB2 ASP 82 2HB ASP 82 -1.917 -8.708 -7.409 701 HB3 ASP 82 1HB ASP 82 -1.730 -7.599 -6.065 702 H TYR 83 H TYR 83 -4.731 -6.022 -7.376 703 HA TYR 83 HA TYR 83 -4.183 -3.225 -6.656 704 HB2 TYR 83 2HB TYR 83 -6.731 -4.716 -7.392 705 HB3 TYR 83 1HB TYR 83 -6.740 -3.068 -6.766 706 HD1 TYR 83 HD1 TYR 83 -5.169 -5.102 -9.536 707 HD2 TYR 83 HD2 TYR 83 -6.604 -1.268 -8.300 708 HE1 TYR 83 HE1 TYR 83 -4.738 -4.220 -11.788 709 HE2 TYR 83 HE2 TYR 83 -6.174 -0.394 -10.553 710 HH TYR 83 HH TYR 83 -5.424 -2.413 -13.226 711 H VAL 84 H VAL 84 -4.059 -2.657 -4.649 712 HA VAL 84 HA VAL 84 -5.206 -4.216 -2.418 713 HB VAL 84 HB VAL 84 -3.757 -2.964 -0.931 714 HG11 VAL 84 1HG1 VAL 84 -1.482 -3.451 -1.764 715 HG12 VAL 84 2HG1 VAL 84 -2.132 -3.688 -3.390 716 HG13 VAL 84 3HG1 VAL 84 -2.604 -4.772 -2.082 717 HG21 VAL 84 3HG2 VAL 84 -3.963 -0.708 -1.884 718 HG22 VAL 84 1HG2 VAL 84 -2.947 -1.174 -3.250 719 HG23 VAL 84 2HG2 VAL 84 -2.266 -1.114 -1.624 720 H GLU 85 H GLU 85 -6.661 -3.146 -0.961 721 HA GLU 85 HA GLU 85 -7.930 -0.679 -2.003 722 HB2 GLU 85 2HB GLU 85 -9.113 -2.772 -0.118 723 HB3 GLU 85 1HB GLU 85 -9.975 -1.428 -0.859 724 HG2 GLU 85 2HG GLU 85 -8.832 -3.858 -2.264 725 HG3 GLU 85 1HG GLU 85 -10.538 -3.483 -2.025 726 H ILE 86 H ILE 86 -7.061 0.992 -0.992 727 HA ILE 86 HA ILE 86 -6.207 0.917 1.804 728 HB ILE 86 HB ILE 86 -6.070 3.239 -0.193 729 HG12 ILE 86 2HG1 ILE 86 -3.852 1.261 0.518 730 HG13 ILE 86 1HG1 ILE 86 -4.759 1.250 -0.986 731 HG21 ILE 86 1HG2 ILE 86 -4.393 4.205 1.347 732 HG22 ILE 86 2HG2 ILE 86 -4.609 2.846 2.449 733 HG23 ILE 86 3HG2 ILE 86 -5.941 3.968 2.164 734 HD11 ILE 86 3HD1 ILE 86 -3.847 3.464 -1.535 735 HD12 ILE 86 1HD1 ILE 86 -2.597 2.239 -1.315 736 HD13 ILE 86 2HD1 ILE 86 -2.896 3.427 -0.047 737 H VAL 87 H VAL 87 -8.135 0.739 2.833 738 HA VAL 87 HA VAL 87 -10.353 2.568 2.373 739 HB VAL 87 HB VAL 87 -10.036 0.318 4.428 740 HG11 VAL 87 1HG1 VAL 87 -12.485 0.390 4.681 741 HG12 VAL 87 2HG1 VAL 87 -12.577 1.754 3.564 742 HG13 VAL 87 3HG1 VAL 87 -11.764 1.943 5.120 743 HG21 VAL 87 3HG2 VAL 87 -11.413 -1.058 2.901 744 HG22 VAL 87 1HG2 VAL 87 -9.907 -0.551 2.130 745 HG23 VAL 87 2HG2 VAL 87 -11.423 0.255 1.720 746 H LEU 88 H LEU 88 -11.099 4.041 3.950 747 HA LEU 88 HA LEU 88 -9.191 5.357 5.586 748 HB2 LEU 88 2HB LEU 88 -12.173 5.633 5.180 749 HB3 LEU 88 1HB LEU 88 -11.409 6.489 6.507 750 HG LEU 88 HG LEU 88 -11.650 7.978 4.572 751 HD11 LEU 88 1HD1 LEU 88 -9.312 8.758 4.375 752 HD12 LEU 88 2HD1 LEU 88 -8.750 7.242 5.089 753 HD13 LEU 88 3HD1 LEU 88 -9.739 8.353 6.039 754 HD21 LEU 88 3HD2 LEU 88 -9.899 6.041 3.003 755 HD22 LEU 88 1HD2 LEU 88 -10.473 7.613 2.437 756 HD23 LEU 88 2HD2 LEU 88 -11.622 6.311 2.740 757 H GLU 89 H GLU 89 -9.802 5.866 7.956 758 HA GLU 89 HA GLU 89 -9.087 3.474 9.313 759 HB2 GLU 89 2HB GLU 89 -9.724 6.223 10.441 760 HB3 GLU 89 1HB GLU 89 -8.872 4.941 11.299 761 HG2 GLU 89 2HG GLU 89 -6.985 5.093 9.780 762 HG3 GLU 89 1HG GLU 89 -7.855 6.214 8.736 763 H HIS 90 H HIS 90 -10.916 2.116 9.021 764 HA HIS 90 HA HIS 90 -13.576 2.753 9.741 765 HB2 HIS 90 2HB HIS 90 -13.086 0.990 8.110 766 HB3 HIS 90 1HB HIS 90 -12.228 0.048 9.327 767 HD1 HIS 90 HD1 HIS 90 -13.583 -1.727 10.415 768 HD2 HIS 90 HD2 HIS 90 -16.003 1.271 8.838 769 HE1 HIS 90 HE1 HIS 90 -15.937 -2.485 10.803 770 HE2 HIS 90 HE2 HIS 90 -17.382 -0.623 9.945 771 H HIS 91 H HIS 91 -10.932 1.127 11.429 772 HA HIS 91 HA HIS 91 -10.547 0.372 13.504 773 HB2 HIS 91 2HB HIS 91 -10.810 2.723 14.160 774 HB3 HIS 91 1HB HIS 91 -12.554 2.539 14.271 775 HD1 HIS 91 HD1 HIS 91 -9.391 1.319 16.018 776 HD2 HIS 91 HD2 HIS 91 -13.450 1.825 16.771 777 HE1 HIS 91 HE1 HIS 91 -9.689 0.891 18.475 778 HE2 HIS 91 HE2 HIS 91 -12.154 1.115 18.885 Start of MODEL 12 1 H1 MET 1 1H MET 1 -14.563 5.152 2.557 2 H2 MET 1 2H MET 1 -14.917 5.331 0.920 3 H3 MET 1 3H MET 1 -14.835 6.691 1.914 4 HA MET 1 HA MET 1 -12.882 6.499 0.535 5 HB2 MET 1 2HB MET 1 -12.378 5.998 3.502 6 HB3 MET 1 1HB MET 1 -11.152 6.568 2.376 7 HG2 MET 1 2HG MET 1 -13.693 8.052 3.068 8 HG3 MET 1 1HG MET 1 -12.101 8.369 3.764 9 HE1 MET 1 3HE MET 1 -13.856 10.666 2.378 10 HE2 MET 1 1HE MET 1 -12.594 11.488 1.462 11 HE3 MET 1 2HE MET 1 -12.264 10.915 3.096 12 H ARG 2 H ARG 2 -12.894 4.596 -0.787 13 HA ARG 2 HA ARG 2 -10.794 2.728 0.153 14 HB2 ARG 2 2HB ARG 2 -13.136 2.097 -1.708 15 HB3 ARG 2 1HB ARG 2 -11.691 1.092 -1.621 16 HG2 ARG 2 2HG ARG 2 -12.153 0.691 0.792 17 HG3 ARG 2 1HG ARG 2 -13.640 1.628 0.645 18 HD2 ARG 2 2HD ARG 2 -14.600 -0.001 -0.854 19 HD3 ARG 2 1HD ARG 2 -13.061 -0.854 -1.012 20 HE ARG 2 HE ARG 2 -14.298 -0.683 1.644 21 HH11 ARG 2 1HH1 ARG 2 -13.495 -2.689 -1.143 22 HH12 ARG 2 2HH1 ARG 2 -13.781 -4.176 -0.298 23 HH21 ARG 2 1HH2 ARG 2 -14.678 -2.660 2.728 24 HH22 ARG 2 2HH2 ARG 2 -14.449 -4.158 1.884 25 H ILE 3 H ILE 3 -8.991 3.125 -0.877 26 HA ILE 3 HA ILE 3 -8.996 4.684 -3.396 27 HB ILE 3 HB ILE 3 -6.847 4.527 -1.219 28 HG12 ILE 3 2HG1 ILE 3 -8.814 6.789 -1.834 29 HG13 ILE 3 1HG1 ILE 3 -8.922 5.695 -0.461 30 HG21 ILE 3 1HG2 ILE 3 -5.747 6.404 -2.403 31 HG22 ILE 3 2HG2 ILE 3 -6.972 6.326 -3.671 32 HG23 ILE 3 3HG2 ILE 3 -5.861 4.975 -3.433 33 HD11 ILE 3 3HD1 ILE 3 -8.054 7.848 0.196 34 HD12 ILE 3 1HD1 ILE 3 -6.721 7.696 -0.948 35 HD13 ILE 3 2HD1 ILE 3 -6.840 6.591 0.424 36 H LYS 4 H LYS 4 -7.988 3.764 -5.169 37 HA LYS 4 HA LYS 4 -7.411 0.907 -4.934 38 HB2 LYS 4 2HB LYS 4 -8.953 1.679 -6.712 39 HB3 LYS 4 1HB LYS 4 -7.687 2.693 -7.393 40 HG2 LYS 4 2HG LYS 4 -6.366 0.682 -7.936 41 HG3 LYS 4 1HG LYS 4 -7.642 -0.337 -7.257 42 HD2 LYS 4 2HD LYS 4 -9.227 0.500 -8.965 43 HD3 LYS 4 1HD LYS 4 -7.973 1.554 -9.625 44 HE2 LYS 4 2HE LYS 4 -6.641 -0.403 -10.251 45 HE3 LYS 4 1HE LYS 4 -7.854 -1.474 -9.551 46 HZ1 LYS 4 3HZ LYS 4 -8.026 -1.284 -11.972 47 HZ2 LYS 4 1HZ LYS 4 -8.333 0.371 -11.830 48 HZ3 LYS 4 2HZ LYS 4 -9.433 -0.744 -11.202 49 H GLY 5 H GLY 5 -5.398 0.178 -4.780 50 HA2 GLY 5 2HA GLY 5 -3.104 1.722 -5.862 51 HA3 GLY 5 1HA GLY 5 -3.068 0.951 -4.277 52 H VAL 6 H VAL 6 -1.149 0.319 -6.019 53 HA VAL 6 HA VAL 6 -1.716 -2.477 -6.808 54 HB VAL 6 HB VAL 6 -0.097 -0.449 -8.440 55 HG11 VAL 6 1HG1 VAL 6 0.958 -2.666 -8.538 56 HG12 VAL 6 2HG1 VAL 6 0.230 -2.258 -10.092 57 HG13 VAL 6 3HG1 VAL 6 -0.579 -3.393 -9.010 58 HG21 VAL 6 3HG2 VAL 6 -2.702 -1.851 -9.129 59 HG22 VAL 6 1HG2 VAL 6 -1.790 -0.792 -10.211 60 HG23 VAL 6 2HG2 VAL 6 -2.513 -0.141 -8.738 61 H VAL 7 H VAL 7 -0.223 -3.877 -6.037 62 HA VAL 7 HA VAL 7 1.961 -3.081 -4.379 63 HB VAL 7 HB VAL 7 1.375 -5.836 -5.578 64 HG11 VAL 7 1HG1 VAL 7 3.128 -5.102 -3.196 65 HG12 VAL 7 2HG1 VAL 7 3.699 -5.671 -4.765 66 HG13 VAL 7 3HG1 VAL 7 2.752 -6.744 -3.734 67 HG21 VAL 7 3HG2 VAL 7 0.529 -4.678 -2.894 68 HG22 VAL 7 1HG2 VAL 7 0.254 -6.339 -3.433 69 HG23 VAL 7 2HG2 VAL 7 -0.531 -4.996 -4.269 70 H LEU 8 H LEU 8 3.513 -1.931 -5.390 71 HA LEU 8 HA LEU 8 4.672 -2.535 -7.937 72 HB2 LEU 8 2HB LEU 8 5.806 -0.886 -5.635 73 HB3 LEU 8 1HB LEU 8 6.441 -0.911 -7.273 74 HG LEU 8 HG LEU 8 3.745 0.205 -6.406 75 HD11 LEU 8 1HD1 LEU 8 4.699 2.391 -7.038 76 HD12 LEU 8 2HD1 LEU 8 6.252 1.622 -7.367 77 HD13 LEU 8 3HD1 LEU 8 5.596 1.629 -5.729 78 HD21 LEU 8 3HD2 LEU 8 3.530 -0.769 -8.636 79 HD22 LEU 8 1HD2 LEU 8 4.951 0.118 -9.197 80 HD23 LEU 8 2HD2 LEU 8 3.485 0.988 -8.732 81 H SER 9 H SER 9 5.780 -2.981 -4.558 82 HA SER 9 HA SER 9 7.216 -5.402 -5.185 83 HB2 SER 9 2HB SER 9 8.829 -3.657 -5.958 84 HB3 SER 9 1HB SER 9 8.838 -2.959 -4.337 85 HG SER 9 HG SER 9 10.578 -4.336 -4.515 86 H TYR 10 H TYR 10 8.356 -6.264 -3.240 87 HA TYR 10 HA TYR 10 7.083 -5.497 -0.681 88 HB2 TYR 10 2HB TYR 10 8.575 -8.084 -1.337 89 HB3 TYR 10 1HB TYR 10 7.623 -7.750 0.105 90 HD1 TYR 10 HD2 TYR 10 5.056 -7.348 -0.248 91 HD2 TYR 10 HD1 TYR 10 7.570 -9.185 -3.179 92 HE1 TYR 10 HE2 TYR 10 3.087 -8.357 -1.319 93 HE2 TYR 10 HE1 TYR 10 5.597 -10.193 -4.244 94 HH TYR 10 HH TYR 10 2.412 -9.251 -3.466 95 H ARG 11 H ARG 11 8.400 -4.899 1.008 96 HA ARG 11 HA ARG 11 11.314 -5.373 0.850 97 HB2 ARG 11 2HB ARG 11 11.066 -2.981 0.397 98 HB3 ARG 11 1HB ARG 11 9.904 -2.799 1.708 99 HG2 ARG 11 2HG ARG 11 11.697 -3.316 3.347 100 HG3 ARG 11 1HG ARG 11 12.857 -3.442 2.027 101 HD2 ARG 11 2HD ARG 11 12.643 -1.086 1.529 102 HD3 ARG 11 1HD ARG 11 11.271 -0.930 2.633 103 HE ARG 11 HE ARG 11 12.986 -1.640 4.410 104 HH11 ARG 11 1HH1 ARG 11 13.812 0.390 1.647 105 HH12 ARG 11 2HH1 ARG 11 15.109 1.184 2.484 106 HH21 ARG 11 1HH2 ARG 11 14.677 -0.570 5.481 107 HH22 ARG 11 2HH2 ARG 11 15.595 0.644 4.642 108 H ARG 12 H ARG 12 12.053 -6.342 2.694 109 HA ARG 12 HA ARG 12 10.224 -7.132 4.780 110 HB2 ARG 12 2HB ARG 12 12.087 -8.374 5.707 111 HB3 ARG 12 1HB ARG 12 12.163 -8.556 3.961 112 HG2 ARG 12 2HG ARG 12 13.952 -6.811 3.894 113 HG3 ARG 12 1HG ARG 12 13.900 -6.736 5.657 114 HD2 ARG 12 2HD ARG 12 15.743 -8.151 5.061 115 HD3 ARG 12 1HD ARG 12 14.471 -9.202 5.692 116 HE ARG 12 HE ARG 12 14.772 -8.803 2.785 117 HH11 ARG 12 1HH1 ARG 12 14.831 -11.036 5.524 118 HH12 ARG 12 2HH1 ARG 12 14.901 -12.443 4.508 119 HH21 ARG 12 1HH2 ARG 12 14.892 -10.639 1.495 120 HH22 ARG 12 2HH2 ARG 12 14.937 -12.216 2.217 121 H SER 13 H SER 13 10.344 -6.459 7.047 122 HA SER 13 HA SER 13 11.035 -3.740 7.523 123 HB2 SER 13 2HB SER 13 9.328 -4.875 8.908 124 HB3 SER 13 1HB SER 13 10.563 -5.938 9.577 125 HG SER 13 HG SER 13 10.773 -3.117 9.787 126 H LYS 14 H LYS 14 12.492 -6.552 9.280 127 HA LYS 14 HA LYS 14 14.571 -6.839 10.182 128 HB2 LYS 14 2HB LYS 14 14.982 -7.406 7.785 129 HB3 LYS 14 1HB LYS 14 15.394 -5.733 7.455 130 HG2 LYS 14 2HG LYS 14 17.398 -5.941 8.891 131 HG3 LYS 14 1HG LYS 14 16.975 -7.623 9.237 132 HD2 LYS 14 2HD LYS 14 17.300 -8.264 6.926 133 HD3 LYS 14 1HD LYS 14 17.450 -6.582 6.415 134 HE2 LYS 14 2HE LYS 14 19.415 -7.983 8.253 135 HE3 LYS 14 1HE LYS 14 19.625 -7.823 6.509 136 HZ1 LYS 14 3HZ LYS 14 19.666 -5.445 6.730 137 HZ2 LYS 14 1HZ LYS 14 20.821 -6.114 7.765 138 HZ3 LYS 14 2HZ LYS 14 19.360 -5.536 8.387 139 H GLU 15 H GLU 15 13.585 -4.913 11.461 140 HA GLU 15 HA GLU 15 15.256 -2.573 11.677 141 HB2 GLU 15 2HB GLU 15 14.187 -1.896 9.638 142 HB3 GLU 15 1HB GLU 15 12.616 -2.479 10.165 143 HG2 GLU 15 2HG GLU 15 12.460 -0.620 11.769 144 HG3 GLU 15 1HG GLU 15 14.060 -0.055 11.284 145 H ASN 16 H ASN 16 11.866 -3.595 12.079 146 HA ASN 16 HA ASN 16 11.963 -2.902 14.964 147 HB2 ASN 16 2HB ASN 16 10.636 -1.219 13.691 148 HB3 ASN 16 1HB ASN 16 9.627 -2.501 13.026 149 HD21 ASN 16 1HD2 ASN 16 10.456 -0.744 15.970 150 HD22 ASN 16 2HD2 ASN 16 9.034 -1.176 16.849 151 H GLN 17 H GLN 17 9.960 -4.674 12.577 152 HA GLN 17 HA GLN 17 9.837 -7.040 14.358 153 HB2 GLN 17 2HB GLN 17 7.544 -5.662 12.897 154 HB3 GLN 17 1HB GLN 17 7.425 -7.328 13.445 155 HG2 GLN 17 2HG GLN 17 7.908 -4.927 15.238 156 HG3 GLN 17 1HG GLN 17 6.362 -5.735 15.015 157 HE21 GLN 17 1HE2 GLN 17 6.059 -7.820 15.929 158 HE22 GLN 17 2HE2 GLN 17 7.111 -8.435 17.150 159 H HIS 18 H HIS 18 8.446 -8.742 12.769 160 HA HIS 18 HA HIS 18 10.215 -9.228 10.460 161 HB2 HIS 18 2HB HIS 18 8.264 -11.061 11.937 162 HB3 HIS 18 1HB HIS 18 9.167 -11.535 10.502 163 HD1 HIS 18 HD1 HIS 18 10.487 -13.360 11.641 164 HD2 HIS 18 HD2 HIS 18 10.947 -9.677 13.505 165 HE1 HIS 18 HE1 HIS 18 12.346 -13.660 13.297 166 HE2 HIS 18 HE2 HIS 18 12.429 -11.500 14.560 167 H ASN 19 H ASN 19 7.570 -7.484 10.902 168 HA ASN 19 HA ASN 19 5.682 -8.294 8.949 169 HB2 ASN 19 2HB ASN 19 6.310 -5.500 10.031 170 HB3 ASN 19 1HB ASN 19 4.877 -5.918 9.094 171 HD21 ASN 19 1HD2 ASN 19 3.462 -5.330 10.718 172 HD22 ASN 19 2HD2 ASN 19 3.281 -6.228 12.182 173 H ASN 20 H ASN 20 5.314 -7.351 6.812 174 HA ASN 20 HA ASN 20 7.802 -6.575 5.421 175 HB2 ASN 20 2HB ASN 20 6.442 -8.519 4.544 176 HB3 ASN 20 1HB ASN 20 5.128 -7.401 4.203 177 HD21 ASN 20 1HD2 ASN 20 8.292 -8.488 3.249 178 HD22 ASN 20 2HD2 ASN 20 8.360 -7.638 1.747 179 H VAL 21 H VAL 21 8.111 -4.523 4.896 180 HA VAL 21 HA VAL 21 5.995 -2.502 4.920 181 HB VAL 21 HB VAL 21 8.951 -2.111 4.190 182 HG11 VAL 21 1HG1 VAL 21 6.847 -0.131 5.139 183 HG12 VAL 21 2HG1 VAL 21 7.484 -0.269 3.500 184 HG13 VAL 21 3HG1 VAL 21 8.540 0.257 4.812 185 HG21 VAL 21 3HG2 VAL 21 9.405 -1.448 6.513 186 HG22 VAL 21 1HG2 VAL 21 8.812 -3.111 6.459 187 HG23 VAL 21 2HG2 VAL 21 7.739 -1.806 6.963 188 H MET 22 H MET 22 4.772 -2.575 3.076 189 HA MET 22 HA MET 22 5.893 -3.652 0.597 190 HB2 MET 22 2HB MET 22 3.810 -4.621 1.457 191 HB3 MET 22 1HB MET 22 3.026 -3.049 1.415 192 HG2 MET 22 2HG MET 22 3.187 -3.010 -1.014 193 HG3 MET 22 1HG MET 22 4.032 -4.557 -1.016 194 HE1 MET 22 3HE MET 22 2.907 -6.804 -0.112 195 HE2 MET 22 1HE MET 22 1.216 -6.926 0.352 196 HE3 MET 22 2HE MET 22 2.340 -6.040 1.375 197 H ILE 23 H ILE 23 6.368 -2.433 -1.102 198 HA ILE 23 HA ILE 23 5.858 0.415 -1.207 199 HB ILE 23 HB ILE 23 7.083 -1.354 -3.382 200 HG12 ILE 23 2HG1 ILE 23 8.418 -1.641 -1.331 201 HG13 ILE 23 1HG1 ILE 23 9.323 -0.684 -2.493 202 HG21 ILE 23 1HG2 ILE 23 8.129 0.747 -4.179 203 HG22 ILE 23 2HG2 ILE 23 7.281 1.647 -2.919 204 HG23 ILE 23 3HG2 ILE 23 6.367 0.843 -4.198 205 HD11 ILE 23 3HD1 ILE 23 8.751 1.350 -1.245 206 HD12 ILE 23 1HD1 ILE 23 9.595 0.163 -0.248 207 HD13 ILE 23 2HD1 ILE 23 7.852 0.368 -0.082 208 H ILE 24 H ILE 24 3.756 0.859 -1.552 209 HA ILE 24 HA ILE 24 2.249 -0.434 -3.759 210 HB ILE 24 HB ILE 24 1.239 1.106 -1.316 211 HG12 ILE 24 2HG1 ILE 24 0.994 -1.867 -1.947 212 HG13 ILE 24 1HG1 ILE 24 2.134 -1.171 -0.800 213 HG21 ILE 24 1HG2 ILE 24 -0.396 -0.271 -3.477 214 HG22 ILE 24 2HG2 ILE 24 -0.269 1.471 -3.224 215 HG23 ILE 24 3HG2 ILE 24 -1.046 0.459 -2.005 216 HD11 ILE 24 3HD1 ILE 24 0.246 -2.126 0.345 217 HD12 ILE 24 1HD1 ILE 24 -0.874 -1.111 -0.565 218 HD13 ILE 24 2HD1 ILE 24 0.268 -0.379 0.566 219 H LYS 25 H LYS 25 1.349 0.903 -5.359 220 HA LYS 25 HA LYS 25 1.668 3.837 -5.088 221 HB2 LYS 25 2HB LYS 25 2.990 2.955 -6.977 222 HB3 LYS 25 1HB LYS 25 1.555 2.191 -7.650 223 HG2 LYS 25 2HG LYS 25 0.530 4.434 -7.982 224 HG3 LYS 25 1HG LYS 25 1.978 5.189 -7.308 225 HD2 LYS 25 2HD LYS 25 1.880 3.483 -9.828 226 HD3 LYS 25 1HD LYS 25 1.969 5.245 -9.792 227 HE2 LYS 25 2HE LYS 25 4.178 5.138 -8.731 228 HE3 LYS 25 1HE LYS 25 4.080 3.375 -8.655 229 HZ1 LYS 25 3HZ LYS 25 5.427 4.115 -10.515 230 HZ2 LYS 25 1HZ LYS 25 4.133 4.999 -11.143 231 HZ3 LYS 25 2HZ LYS 25 4.046 3.315 -11.071 232 HA PRO 26 HA PRO 26 -2.929 3.404 -5.125 233 HB2 PRO 26 2HB PRO 26 -3.286 6.009 -4.173 234 HB3 PRO 26 1HB PRO 26 -3.191 4.571 -3.139 235 HG2 PRO 26 2HG PRO 26 -1.078 6.591 -3.756 236 HG3 PRO 26 1HG PRO 26 -1.409 5.729 -2.237 237 HD2 PRO 26 2HD PRO 26 0.638 5.025 -3.895 238 HD3 PRO 26 1HD PRO 26 -0.223 3.841 -2.888 239 H LEU 27 H LEU 27 -3.477 3.491 -7.224 240 HA LEU 27 HA LEU 27 -2.334 4.981 -9.267 241 HB2 LEU 27 2HB LEU 27 -5.118 3.763 -9.139 242 HB3 LEU 27 1HB LEU 27 -4.356 4.328 -10.620 243 HG LEU 27 HG LEU 27 -3.404 2.015 -8.887 244 HD11 LEU 27 1HD1 LEU 27 -5.412 1.459 -10.138 245 HD12 LEU 27 2HD1 LEU 27 -4.024 0.595 -10.793 246 HD13 LEU 27 3HD1 LEU 27 -4.665 2.006 -11.644 247 HD21 LEU 27 3HD2 LEU 27 -1.462 3.116 -9.855 248 HD22 LEU 27 1HD2 LEU 27 -2.199 3.093 -11.462 249 HD23 LEU 27 2HD2 LEU 27 -1.741 1.581 -10.672 250 H ASP 28 H ASP 28 -5.016 5.789 -7.185 251 HA ASP 28 HA ASP 28 -6.067 8.040 -8.572 252 HB2 ASP 28 2HB ASP 28 -7.350 6.770 -6.897 253 HB3 ASP 28 1HB ASP 28 -6.208 7.201 -5.636 254 H VAL 29 H VAL 29 -3.387 7.626 -6.393 255 HA VAL 29 HA VAL 29 -3.061 10.529 -5.931 256 HB VAL 29 HB VAL 29 -1.949 8.153 -4.376 257 HG11 VAL 29 1HG1 VAL 29 -1.231 9.823 -2.691 258 HG12 VAL 29 2HG1 VAL 29 -1.714 11.113 -3.791 259 HG13 VAL 29 3HG1 VAL 29 -0.407 10.020 -4.238 260 HG21 VAL 29 3HG2 VAL 29 -3.506 8.820 -2.571 261 HG22 VAL 29 1HG2 VAL 29 -4.373 8.371 -4.041 262 HG23 VAL 29 2HG2 VAL 29 -4.185 10.073 -3.611 263 H ASN 30 H ASN 30 -1.509 11.479 -7.116 264 HA ASN 30 HA ASN 30 0.795 9.887 -8.130 265 HB2 ASN 30 2HB ASN 30 -0.612 12.171 -9.578 266 HB3 ASN 30 1HB ASN 30 0.727 11.217 -10.199 267 HD21 ASN 30 1HD2 ASN 30 -0.343 8.640 -9.271 268 HD22 ASN 30 2HD2 ASN 30 -1.706 8.296 -10.274 269 H SER 31 H SER 31 0.089 12.144 -5.931 270 HA SER 31 HA SER 31 2.657 13.591 -6.263 271 HB2 SER 31 2HB SER 31 0.124 14.864 -5.147 272 HB3 SER 31 1HB SER 31 1.638 15.669 -5.576 273 HG SER 31 HG SER 31 -0.312 14.511 -7.264 274 H ARG 32 H ARG 32 3.798 13.960 -4.376 275 HA ARG 32 HA ARG 32 3.605 12.148 -2.264 276 HB2 ARG 32 2HB ARG 32 5.735 13.296 -2.798 277 HB3 ARG 32 1HB ARG 32 5.062 14.833 -2.293 278 HG2 ARG 32 2HG ARG 32 4.891 13.971 0.033 279 HG3 ARG 32 1HG ARG 32 5.600 12.441 -0.487 280 HD2 ARG 32 2HD ARG 32 7.705 13.573 -1.049 281 HD3 ARG 32 1HD ARG 32 6.981 15.146 -0.671 282 HE ARG 32 HE ARG 32 6.825 13.299 1.515 283 HH11 ARG 32 1HH1 ARG 32 8.982 15.653 0.001 284 HH12 ARG 32 2HH1 ARG 32 9.874 15.929 1.462 285 HH21 ARG 32 1HH2 ARG 32 7.976 13.711 3.394 286 HH22 ARG 32 2HH2 ARG 32 9.302 14.828 3.380 287 H GLU 33 H GLU 33 2.579 15.585 -2.428 288 HA GLU 33 HA GLU 33 2.002 15.987 0.293 289 HB2 GLU 33 2HB GLU 33 0.803 17.394 -2.133 290 HB3 GLU 33 1HB GLU 33 0.627 17.949 -0.467 291 HG2 GLU 33 2HG GLU 33 3.138 18.133 -0.340 292 HG3 GLU 33 1HG GLU 33 3.200 17.759 -2.064 293 H GLU 34 H GLU 34 -0.050 14.842 -2.340 294 HA GLU 34 HA GLU 34 -2.540 14.681 -1.036 295 HB2 GLU 34 2HB GLU 34 -1.474 12.794 -3.183 296 HB3 GLU 34 1HB GLU 34 -3.167 13.079 -2.794 297 HG2 GLU 34 2HG GLU 34 -2.946 15.399 -3.588 298 HG3 GLU 34 1HG GLU 34 -1.254 15.100 -3.985 299 H ALA 35 H ALA 35 0.048 12.286 -1.461 300 HA ALA 35 HA ALA 35 -1.130 10.203 0.101 301 HB1 ALA 35 3HB ALA 35 0.442 9.742 -1.723 302 HB2 ALA 35 1HB ALA 35 1.064 9.092 -0.205 303 HB3 ALA 35 2HB ALA 35 1.727 10.591 -0.861 304 H SER 36 H SER 36 0.736 13.005 0.905 305 HA SER 36 HA SER 36 2.089 12.011 3.233 306 HB2 SER 36 2HB SER 36 2.995 13.902 1.892 307 HB3 SER 36 1HB SER 36 1.619 14.898 2.365 308 HG SER 36 HG SER 36 2.333 14.860 4.467 309 H LYS 37 H LYS 37 -0.835 13.968 2.653 310 HA LYS 37 HA LYS 37 -1.558 14.073 5.453 311 HB2 LYS 37 2HB LYS 37 -3.719 15.006 4.621 312 HB3 LYS 37 1HB LYS 37 -2.312 15.867 4.009 313 HG2 LYS 37 2HG LYS 37 -2.514 14.659 1.853 314 HG3 LYS 37 1HG LYS 37 -3.945 13.825 2.461 315 HD2 LYS 37 2HD LYS 37 -3.685 16.836 2.077 316 HD3 LYS 37 1HD LYS 37 -4.518 15.731 0.981 317 HE2 LYS 37 2HE LYS 37 -5.298 16.310 3.864 318 HE3 LYS 37 1HE LYS 37 -6.130 16.879 2.417 319 HZ1 LYS 37 3HZ LYS 37 -7.233 14.968 3.373 320 HZ2 LYS 37 1HZ LYS 37 -5.836 14.035 3.218 321 HZ3 LYS 37 2HZ LYS 37 -6.637 14.597 1.840 322 H LEU 38 H LEU 38 -1.636 11.653 3.140 323 HA LEU 38 HA LEU 38 -3.938 10.201 4.234 324 HB2 LEU 38 2HB LEU 38 -2.235 9.834 1.757 325 HB3 LEU 38 1HB LEU 38 -3.347 8.598 2.296 326 HG LEU 38 HG LEU 38 -4.112 11.395 1.406 327 HD11 LEU 38 1HD1 LEU 38 -4.459 8.709 0.031 328 HD12 LEU 38 2HD1 LEU 38 -3.390 10.024 -0.461 329 HD13 LEU 38 3HD1 LEU 38 -5.138 10.245 -0.531 330 HD21 LEU 38 3HD2 LEU 38 -5.897 9.102 2.292 331 HD22 LEU 38 1HD2 LEU 38 -6.449 10.623 1.578 332 HD23 LEU 38 2HD2 LEU 38 -5.641 10.629 3.142 333 H ILE 39 H ILE 39 -1.247 10.534 5.659 334 HA ILE 39 HA ILE 39 -0.356 7.755 5.902 335 HB ILE 39 HB ILE 39 0.412 10.152 7.632 336 HG12 ILE 39 2HG1 ILE 39 1.071 10.563 5.306 337 HG13 ILE 39 1HG1 ILE 39 2.505 10.235 6.266 338 HG21 ILE 39 1HG2 ILE 39 1.735 7.425 7.368 339 HG22 ILE 39 2HG2 ILE 39 0.830 8.010 8.766 340 HG23 ILE 39 3HG2 ILE 39 2.354 8.778 8.322 341 HD11 ILE 39 3HD1 ILE 39 2.698 9.171 4.144 342 HD12 ILE 39 1HD1 ILE 39 1.136 8.379 4.330 343 HD13 ILE 39 2HD1 ILE 39 2.493 7.912 5.362 344 H GLY 40 H GLY 40 -1.010 6.331 7.491 345 HA2 GLY 40 2HA GLY 40 -1.818 5.834 9.705 346 HA3 GLY 40 1HA GLY 40 -2.776 7.302 9.673 347 H ARG 41 H ARG 41 -3.272 6.122 6.680 348 HA ARG 41 HA ARG 41 -5.850 4.968 7.371 349 HB2 ARG 41 2HB ARG 41 -6.167 4.821 4.844 350 HB3 ARG 41 1HB ARG 41 -5.893 6.445 5.475 351 HG2 ARG 41 2HG ARG 41 -3.527 6.297 4.775 352 HG3 ARG 41 1HG ARG 41 -3.837 4.696 4.105 353 HD2 ARG 41 2HD ARG 41 -5.426 5.672 2.483 354 HD3 ARG 41 1HD ARG 41 -5.149 7.280 3.174 355 HE ARG 41 HE ARG 41 -2.698 6.799 2.542 356 HH11 ARG 41 1HH1 ARG 41 -5.402 5.719 0.570 357 HH12 ARG 41 2HH1 ARG 41 -4.495 5.756 -0.903 358 HH21 ARG 41 1HH2 ARG 41 -1.533 6.892 0.590 359 HH22 ARG 41 2HH2 ARG 41 -2.297 6.422 -0.892 360 H LEU 42 H LEU 42 -6.592 2.930 6.577 361 HA LEU 42 HA LEU 42 -4.629 0.803 6.995 362 HB2 LEU 42 2HB LEU 42 -6.732 0.842 8.329 363 HB3 LEU 42 1HB LEU 42 -7.672 0.761 6.849 364 HG LEU 42 HG LEU 42 -6.708 -1.512 6.395 365 HD11 LEU 42 1HD1 LEU 42 -5.465 -1.248 9.141 366 HD12 LEU 42 2HD1 LEU 42 -4.611 -1.330 7.598 367 HD13 LEU 42 3HD1 LEU 42 -5.529 -2.715 8.166 368 HD21 LEU 42 3HD2 LEU 42 -8.045 -2.710 8.064 369 HD22 LEU 42 1HD2 LEU 42 -8.896 -1.291 7.456 370 HD23 LEU 42 2HD2 LEU 42 -8.144 -1.248 9.054 371 H VAL 43 H VAL 43 -4.340 -0.876 5.505 372 HA VAL 43 HA VAL 43 -5.421 -0.517 2.771 373 HB VAL 43 HB VAL 43 -2.661 -1.615 3.494 374 HG11 VAL 43 1HG1 VAL 43 -2.220 -1.494 1.066 375 HG12 VAL 43 2HG1 VAL 43 -3.883 -0.970 0.793 376 HG13 VAL 43 3HG1 VAL 43 -3.559 -2.581 1.437 377 HG21 VAL 43 3HG2 VAL 43 -1.711 0.463 2.556 378 HG22 VAL 43 1HG2 VAL 43 -2.732 0.799 3.958 379 HG23 VAL 43 2HG2 VAL 43 -3.338 1.109 2.330 380 H LEU 44 H LEU 44 -6.589 -2.237 2.105 381 HA LEU 44 HA LEU 44 -6.279 -4.864 3.416 382 HB2 LEU 44 2HB LEU 44 -8.554 -3.773 1.704 383 HB3 LEU 44 1HB LEU 44 -8.519 -5.370 2.439 384 HG LEU 44 HG LEU 44 -8.657 -2.706 3.903 385 HD11 LEU 44 1HD1 LEU 44 -10.873 -3.457 4.643 386 HD12 LEU 44 2HD1 LEU 44 -10.714 -4.919 3.665 387 HD13 LEU 44 3HD1 LEU 44 -10.779 -3.335 2.888 388 HD21 LEU 44 3HD2 LEU 44 -8.504 -5.499 5.082 389 HD22 LEU 44 1HD2 LEU 44 -8.841 -4.017 5.986 390 HD23 LEU 44 2HD2 LEU 44 -7.280 -4.232 5.203 391 H TRP 45 H TRP 45 -4.625 -5.796 2.341 392 HA TRP 45 HA TRP 45 -4.685 -6.043 -0.608 393 HB2 TRP 45 2HB TRP 45 -2.561 -5.243 0.295 394 HB3 TRP 45 1HB TRP 45 -2.503 -6.568 1.451 395 HD1 TRP 45 HD1 TRP 45 -2.736 -6.379 -2.448 396 HE1 TRP 45 HE1 TRP 45 -1.059 -8.057 -3.407 397 HE3 TRP 45 HE3 TRP 45 -0.884 -8.309 1.905 398 HZ2 TRP 45 HZ2 TRP 45 0.801 -9.913 -2.497 399 HZ3 TRP 45 HZ3 TRP 45 0.862 -10.047 1.763 400 HH2 TRP 45 HH2 TRP 45 1.678 -10.845 -0.409 401 H LYS 46 H LYS 46 -4.656 -8.112 -1.540 402 HA LYS 46 HA LYS 46 -5.498 -10.356 0.178 403 HB2 LYS 46 2HB LYS 46 -6.967 -9.737 -1.736 404 HB3 LYS 46 1HB LYS 46 -5.627 -10.005 -2.845 405 HG2 LYS 46 2HG LYS 46 -5.579 -12.406 -2.176 406 HG3 LYS 46 1HG LYS 46 -6.954 -12.117 -1.111 407 HD2 LYS 46 2HD LYS 46 -7.862 -13.085 -3.086 408 HD3 LYS 46 1HD LYS 46 -8.251 -11.370 -3.182 409 HE2 LYS 46 2HE LYS 46 -5.912 -12.682 -4.610 410 HE3 LYS 46 1HE LYS 46 -7.483 -12.380 -5.344 411 HZ1 LYS 46 3HZ LYS 46 -5.555 -10.340 -4.372 412 HZ2 LYS 46 1HZ LYS 46 -7.116 -9.992 -4.926 413 HZ3 LYS 46 2HZ LYS 46 -5.975 -10.670 -5.970 414 H SER 47 H SER 47 -3.747 -11.442 0.870 415 HA SER 47 HA SER 47 -1.230 -11.605 -0.414 416 HB2 SER 47 2HB SER 47 -0.675 -13.236 1.371 417 HB3 SER 47 1HB SER 47 -1.492 -11.829 2.043 418 HG SER 47 HG SER 47 -3.370 -13.038 2.225 419 HA PRO 48 HA PRO 48 -1.715 -15.217 -3.192 420 HB2 PRO 48 2HB PRO 48 0.959 -16.097 -2.111 421 HB3 PRO 48 1HB PRO 48 0.452 -15.831 -3.790 422 HG2 PRO 48 2HG PRO 48 2.037 -14.074 -2.630 423 HG3 PRO 48 1HG PRO 48 0.700 -13.519 -3.666 424 HD2 PRO 48 2HD PRO 48 0.832 -13.612 -0.654 425 HD3 PRO 48 1HD PRO 48 0.230 -12.321 -1.717 426 H SER 49 H SER 49 -1.245 -15.494 0.223 427 HA SER 49 HA SER 49 -1.712 -18.340 0.442 428 HB2 SER 49 2HB SER 49 -0.327 -17.127 2.111 429 HB3 SER 49 1HB SER 49 -1.730 -16.171 2.584 430 HG SER 49 HG SER 49 -2.435 -18.721 2.750 431 H GLY 50 H GLY 50 -3.739 -15.744 -0.276 432 HA2 GLY 50 2HA GLY 50 -6.021 -15.991 -0.811 433 HA3 GLY 50 1HA GLY 50 -6.139 -17.347 0.296 434 H LYS 51 H LYS 51 -4.539 -15.249 2.104 435 HA LYS 51 HA LYS 51 -6.878 -14.444 3.620 436 HB2 LYS 51 2HB LYS 51 -3.902 -13.976 4.111 437 HB3 LYS 51 1HB LYS 51 -5.187 -13.638 5.272 438 HG2 LYS 51 2HG LYS 51 -4.478 -16.383 4.191 439 HG3 LYS 51 1HG LYS 51 -3.966 -15.738 5.752 440 HD2 LYS 51 2HD LYS 51 -6.345 -15.588 6.462 441 HD3 LYS 51 1HD LYS 51 -6.851 -16.251 4.905 442 HE2 LYS 51 2HE LYS 51 -6.884 -18.001 6.606 443 HE3 LYS 51 1HE LYS 51 -5.618 -18.352 5.431 444 HZ1 LYS 51 3HZ LYS 51 -4.824 -18.745 7.652 445 HZ2 LYS 51 1HZ LYS 51 -5.235 -17.177 8.135 446 HZ3 LYS 51 2HZ LYS 51 -4.001 -17.417 7.009 447 H ILE 52 H ILE 52 -7.356 -12.251 4.183 448 HA ILE 52 HA ILE 52 -6.254 -10.163 2.398 449 HB ILE 52 HB ILE 52 -8.799 -10.123 4.081 450 HG12 ILE 52 2HG1 ILE 52 -8.389 -10.188 1.053 451 HG13 ILE 52 1HG1 ILE 52 -8.945 -11.530 2.045 452 HG21 ILE 52 1HG2 ILE 52 -7.699 -7.929 2.278 453 HG22 ILE 52 2HG2 ILE 52 -7.818 -7.862 4.038 454 HG23 ILE 52 3HG2 ILE 52 -9.284 -7.913 3.059 455 HD11 ILE 52 3HD1 ILE 52 -10.770 -10.517 0.841 456 HD12 ILE 52 1HD1 ILE 52 -10.435 -8.949 1.577 457 HD13 ILE 52 2HD1 ILE 52 -10.980 -10.298 2.577 458 H LEU 53 H LEU 53 -4.484 -9.373 3.277 459 HA LEU 53 HA LEU 53 -4.052 -9.204 6.126 460 HB2 LEU 53 2HB LEU 53 -2.294 -8.358 3.801 461 HB3 LEU 53 1HB LEU 53 -1.799 -8.392 5.490 462 HG LEU 53 HG LEU 53 -2.445 -10.763 3.703 463 HD11 LEU 53 1HD1 LEU 53 -0.137 -11.398 4.108 464 HD12 LEU 53 2HD1 LEU 53 0.098 -9.983 5.138 465 HD13 LEU 53 3HD1 LEU 53 -0.232 -9.783 3.416 466 HD21 LEU 53 3HD2 LEU 53 -1.900 -12.239 5.615 467 HD22 LEU 53 1HD2 LEU 53 -3.374 -11.310 5.886 468 HD23 LEU 53 2HD2 LEU 53 -1.872 -10.835 6.689 469 H LYS 54 H LYS 54 -3.409 -7.300 7.174 470 HA LYS 54 HA LYS 54 -4.706 -4.820 6.223 471 HB2 LYS 54 2HB LYS 54 -4.511 -5.936 9.056 472 HB3 LYS 54 1HB LYS 54 -5.190 -4.366 8.644 473 HG2 LYS 54 2HG LYS 54 -7.001 -5.436 7.392 474 HG3 LYS 54 1HG LYS 54 -6.287 -7.026 7.672 475 HD2 LYS 54 2HD LYS 54 -8.180 -6.640 9.192 476 HD3 LYS 54 1HD LYS 54 -6.672 -6.789 10.095 477 HE2 LYS 54 2HE LYS 54 -6.569 -4.345 10.345 478 HE3 LYS 54 1HE LYS 54 -8.047 -4.178 9.393 479 HZ1 LYS 54 3HZ LYS 54 -9.239 -5.411 11.092 480 HZ2 LYS 54 1HZ LYS 54 -8.496 -4.050 11.761 481 HZ3 LYS 54 2HZ LYS 54 -7.827 -5.579 12.007 482 H GLY 55 H GLY 55 -3.220 -3.328 5.816 483 HA2 GLY 55 2HA GLY 55 -0.707 -3.212 7.405 484 HA3 GLY 55 1HA GLY 55 -0.740 -3.016 5.657 485 H LYS 56 H LYS 56 -0.210 -1.239 8.207 486 HA LYS 56 HA LYS 56 -1.938 1.026 7.398 487 HB2 LYS 56 2HB LYS 56 -1.994 0.499 9.791 488 HB3 LYS 56 1HB LYS 56 -0.247 0.693 9.902 489 HG2 LYS 56 2HG LYS 56 -0.376 3.058 9.512 490 HG3 LYS 56 1HG LYS 56 -2.056 2.955 8.986 491 HD2 LYS 56 2HD LYS 56 -1.071 2.440 11.818 492 HD3 LYS 56 1HD LYS 56 -1.821 3.937 11.254 493 HE2 LYS 56 2HE LYS 56 -3.894 2.708 10.728 494 HE3 LYS 56 1HE LYS 56 -3.150 1.204 11.282 495 HZ1 LYS 56 3HZ LYS 56 -3.746 3.600 12.932 496 HZ2 LYS 56 1HZ LYS 56 -2.911 2.239 13.488 497 HZ3 LYS 56 2HZ LYS 56 -4.522 2.100 13.002 498 H ILE 57 H ILE 57 -1.145 2.627 6.291 499 HA ILE 57 HA ILE 57 1.508 2.707 5.292 500 HB ILE 57 HB ILE 57 -0.673 4.843 5.229 501 HG12 ILE 57 2HG1 ILE 57 0.165 2.798 3.123 502 HG13 ILE 57 1HG1 ILE 57 -1.263 2.671 4.144 503 HG21 ILE 57 1HG2 ILE 57 1.547 5.866 4.854 504 HG22 ILE 57 2HG2 ILE 57 0.603 5.872 3.365 505 HG23 ILE 57 3HG2 ILE 57 1.892 4.687 3.587 506 HD11 ILE 57 3HD1 ILE 57 -2.144 4.714 3.119 507 HD12 ILE 57 1HD1 ILE 57 -1.878 3.407 1.967 508 HD13 ILE 57 2HD1 ILE 57 -0.745 4.755 2.041 509 H VAL 58 H VAL 58 3.140 3.086 6.597 510 HA VAL 58 HA VAL 58 2.987 4.800 8.946 511 HB VAL 58 HB VAL 58 5.319 4.027 9.401 512 HG11 VAL 58 1HG1 VAL 58 3.405 2.702 10.217 513 HG12 VAL 58 2HG1 VAL 58 4.777 1.662 9.843 514 HG13 VAL 58 3HG1 VAL 58 3.411 1.753 8.729 515 HG21 VAL 58 3HG2 VAL 58 6.386 2.300 7.974 516 HG22 VAL 58 1HG2 VAL 58 6.144 3.806 7.081 517 HG23 VAL 58 2HG2 VAL 58 5.062 2.437 6.812 518 H ARG 59 H ARG 59 4.282 4.950 5.689 519 HA ARG 59 HA ARG 59 4.662 7.762 5.760 520 HB2 ARG 59 2HB ARG 59 6.686 6.975 7.057 521 HB3 ARG 59 1HB ARG 59 7.237 6.125 5.618 522 HG2 ARG 59 2HG ARG 59 7.756 8.132 4.489 523 HG3 ARG 59 1HG ARG 59 6.703 9.096 5.523 524 HD2 ARG 59 2HD ARG 59 9.314 7.819 6.387 525 HD3 ARG 59 1HD ARG 59 9.089 9.518 5.969 526 HE ARG 59 HE ARG 59 7.846 8.165 8.296 527 HH11 ARG 59 1HH1 ARG 59 9.017 11.118 6.760 528 HH12 ARG 59 2HH1 ARG 59 8.737 12.108 8.158 529 HH21 ARG 59 1HH2 ARG 59 7.470 9.485 10.124 530 HH22 ARG 59 2HH2 ARG 59 7.859 11.175 10.066 531 H VAL 60 H VAL 60 5.639 8.546 3.673 532 HA VAL 60 HA VAL 60 4.656 6.987 1.399 533 HB VAL 60 HB VAL 60 5.040 9.115 0.102 534 HG11 VAL 60 1HG1 VAL 60 3.384 9.468 2.619 535 HG12 VAL 60 2HG1 VAL 60 2.860 8.672 1.135 536 HG13 VAL 60 3HG1 VAL 60 3.213 10.400 1.128 537 HG21 VAL 60 3HG2 VAL 60 6.914 10.043 1.422 538 HG22 VAL 60 1HG2 VAL 60 5.833 10.303 2.793 539 HG23 VAL 60 2HG2 VAL 60 5.595 11.207 1.294 540 H HIS 61 H HIS 61 5.955 7.241 -0.646 541 HA HIS 61 HA HIS 61 8.860 7.010 -0.365 542 HB2 HIS 61 2HB HIS 61 8.135 4.693 -0.120 543 HB3 HIS 61 1HB HIS 61 7.028 4.832 -1.480 544 HD1 HIS 61 HD1 HIS 61 10.777 4.859 -0.800 545 HD2 HIS 61 HD2 HIS 61 8.106 4.035 -3.873 546 HE1 HIS 61 HE1 HIS 61 12.174 4.001 -2.698 547 HE2 HIS 61 HE2 HIS 61 10.543 3.555 -4.557 548 H GLY 62 H GLY 62 9.414 8.671 -1.697 549 HA2 GLY 62 2HA GLY 62 9.874 9.677 -3.735 550 HA3 GLY 62 1HA GLY 62 8.753 8.579 -4.530 551 H THR 63 H THR 63 8.688 11.088 -5.377 552 HA THR 63 HA THR 63 6.505 12.558 -4.089 553 HB THR 63 HB THR 63 6.936 14.276 -5.873 554 HG1 THR 63 HG1 THR 63 8.346 13.902 -7.435 555 HG21 THR 63 3HG2 THR 63 8.127 14.443 -3.703 556 HG22 THR 63 1HG2 THR 63 9.126 15.034 -5.036 557 HG23 THR 63 2HG2 THR 63 9.433 13.440 -4.343 558 H LYS 64 H LYS 64 6.471 9.916 -5.836 559 HA LYS 64 HA LYS 64 4.657 10.669 -8.007 560 HB2 LYS 64 2HB LYS 64 6.056 8.034 -7.371 561 HB3 LYS 64 1HB LYS 64 5.095 8.345 -8.816 562 HG2 LYS 64 2HG LYS 64 7.698 9.728 -8.055 563 HG3 LYS 64 1HG LYS 64 7.489 8.513 -9.324 564 HD2 LYS 64 2HD LYS 64 6.017 10.051 -10.572 565 HD3 LYS 64 1HD LYS 64 6.153 11.247 -9.283 566 HE2 LYS 64 2HE LYS 64 8.565 11.469 -9.747 567 HE3 LYS 64 1HE LYS 64 8.423 10.281 -11.049 568 HZ1 LYS 64 3HZ LYS 64 6.985 12.885 -10.939 569 HZ2 LYS 64 1HZ LYS 64 6.901 11.761 -12.200 570 HZ3 LYS 64 2HZ LYS 64 8.353 12.567 -11.879 571 H GLY 65 H GLY 65 4.039 10.308 -4.941 572 HA2 GLY 65 2HA GLY 65 1.997 10.063 -3.905 573 HA3 GLY 65 1HA GLY 65 1.341 9.380 -5.383 574 H ALA 66 H ALA 66 4.053 7.617 -4.890 575 HA ALA 66 HA ALA 66 2.691 5.285 -4.012 576 HB1 ALA 66 3HB ALA 66 4.920 4.208 -4.092 577 HB2 ALA 66 1HB ALA 66 5.681 5.792 -4.279 578 HB3 ALA 66 2HB ALA 66 4.623 5.164 -5.545 579 H VAL 67 H VAL 67 2.877 4.179 -2.067 580 HA VAL 67 HA VAL 67 3.835 5.651 0.303 581 HB VAL 67 HB VAL 67 1.786 4.754 1.528 582 HG11 VAL 67 1HG1 VAL 67 1.239 6.700 -0.738 583 HG12 VAL 67 2HG1 VAL 67 1.886 7.103 0.854 584 HG13 VAL 67 3HG1 VAL 67 0.237 6.493 0.704 585 HG21 VAL 67 3HG2 VAL 67 1.107 2.962 0.023 586 HG22 VAL 67 1HG2 VAL 67 0.831 4.113 -1.287 587 HG23 VAL 67 2HG2 VAL 67 -0.208 4.137 0.138 588 H ARG 68 H ARG 68 3.826 4.171 2.277 589 HA ARG 68 HA ARG 68 4.777 1.442 1.641 590 HB2 ARG 68 2HB ARG 68 6.099 3.538 3.417 591 HB3 ARG 68 1HB ARG 68 6.493 1.823 3.522 592 HG2 ARG 68 2HG ARG 68 7.234 1.849 1.162 593 HG3 ARG 68 1HG ARG 68 6.843 3.567 1.060 594 HD2 ARG 68 2HD ARG 68 8.850 2.442 3.038 595 HD3 ARG 68 1HD ARG 68 9.299 2.998 1.424 596 HE ARG 68 HE ARG 68 8.148 5.184 2.247 597 HH11 ARG 68 1HH1 ARG 68 10.163 3.092 4.241 598 HH12 ARG 68 2HH1 ARG 68 10.713 4.392 5.246 599 HH21 ARG 68 1HH2 ARG 68 8.978 6.877 3.509 600 HH22 ARG 68 2HH2 ARG 68 10.045 6.526 4.837 601 H ALA 69 H ALA 69 3.299 0.169 2.494 602 HA ALA 69 HA ALA 69 2.011 0.826 5.080 603 HB1 ALA 69 3HB ALA 69 0.203 -0.695 4.376 604 HB2 ALA 69 1HB ALA 69 1.069 -1.054 2.879 605 HB3 ALA 69 2HB ALA 69 0.459 0.574 3.178 606 H ARG 70 H ARG 70 2.584 -0.366 6.811 607 HA ARG 70 HA ARG 70 4.171 -2.807 6.514 608 HB2 ARG 70 2HB ARG 70 3.390 -1.115 8.921 609 HB3 ARG 70 1HB ARG 70 4.213 -2.663 9.086 610 HG2 ARG 70 2HG ARG 70 6.097 -1.725 7.703 611 HG3 ARG 70 1HG ARG 70 5.283 -0.157 7.749 612 HD2 ARG 70 2HD ARG 70 5.426 -0.132 10.195 613 HD3 ARG 70 1HD ARG 70 6.173 -1.732 10.192 614 HE ARG 70 HE ARG 70 7.923 -0.376 8.713 615 HH11 ARG 70 1HH1 ARG 70 6.371 0.596 11.729 616 HH12 ARG 70 2HH1 ARG 70 7.715 1.562 12.247 617 HH21 ARG 70 1HH2 ARG 70 9.734 0.826 9.484 618 HH22 ARG 70 2HH2 ARG 70 9.599 1.688 10.985 619 H PHE 71 H PHE 71 2.935 -4.490 5.970 620 HA PHE 71 HA PHE 71 0.334 -5.070 7.145 621 HB2 PHE 71 2HB PHE 71 2.125 -6.573 5.179 622 HB3 PHE 71 1HB PHE 71 0.561 -7.179 5.721 623 HD1 PHE 71 HD1 PHE 71 2.250 -4.534 3.701 624 HD2 PHE 71 HD2 PHE 71 -1.501 -6.230 4.900 625 HE1 PHE 71 HE1 PHE 71 1.093 -3.211 1.994 626 HE2 PHE 71 HE2 PHE 71 -2.636 -4.904 3.180 627 HZ PHE 71 HZ PHE 71 -1.341 -3.392 1.730 628 H GLU 72 H GLU 72 -0.076 -6.520 8.708 629 HA GLU 72 HA GLU 72 1.793 -6.925 10.739 630 HB2 GLU 72 2HB GLU 72 0.103 -8.170 11.912 631 HB3 GLU 72 1HB GLU 72 -0.706 -6.878 11.040 632 HG2 GLU 72 2HG GLU 72 -0.579 -9.742 10.051 633 HG3 GLU 72 1HG GLU 72 -1.882 -9.114 11.059 634 H LYS 73 H LYS 73 0.861 -9.021 8.107 635 HA LYS 73 HA LYS 73 2.864 -11.056 8.889 636 HB2 LYS 73 2HB LYS 73 0.579 -11.186 6.868 637 HB3 LYS 73 1HB LYS 73 1.736 -12.478 7.148 638 HG2 LYS 73 2HG LYS 73 0.101 -11.494 9.478 639 HG3 LYS 73 1HG LYS 73 -0.685 -12.493 8.260 640 HD2 LYS 73 2HD LYS 73 0.067 -13.906 10.083 641 HD3 LYS 73 1HD LYS 73 1.017 -14.275 8.645 642 HE2 LYS 73 2HE LYS 73 2.906 -12.991 9.549 643 HE3 LYS 73 1HE LYS 73 1.939 -12.533 10.953 644 HZ1 LYS 73 3HZ LYS 73 3.444 -14.395 11.411 645 HZ2 LYS 73 1HZ LYS 73 2.660 -15.327 10.243 646 HZ3 LYS 73 2HZ LYS 73 1.823 -14.825 11.623 647 H GLY 74 H GLY 74 1.585 -9.445 5.954 648 HA2 GLY 74 2HA GLY 74 2.551 -8.833 3.973 649 HA3 GLY 74 1HA GLY 74 4.087 -8.755 4.827 650 H LEU 75 H LEU 75 1.761 -11.232 3.793 651 HA LEU 75 HA LEU 75 3.610 -13.363 3.839 652 HB2 LEU 75 2HB LEU 75 0.781 -13.155 2.749 653 HB3 LEU 75 1HB LEU 75 1.683 -14.666 2.780 654 HG LEU 75 HG LEU 75 0.954 -13.028 5.238 655 HD11 LEU 75 1HD1 LEU 75 -0.640 -14.792 5.789 656 HD12 LEU 75 2HD1 LEU 75 -0.292 -15.606 4.261 657 HD13 LEU 75 3HD1 LEU 75 -1.048 -14.011 4.263 658 HD21 LEU 75 3HD2 LEU 75 2.251 -15.762 5.036 659 HD22 LEU 75 1HD2 LEU 75 1.732 -14.968 6.527 660 HD23 LEU 75 2HD2 LEU 75 3.029 -14.267 5.563 661 HA PRO 76 HA PRO 76 5.481 -12.637 -0.089 662 HB2 PRO 76 2HB PRO 76 6.675 -15.325 -0.044 663 HB3 PRO 76 1HB PRO 76 7.446 -13.773 0.325 664 HG2 PRO 76 2HG PRO 76 7.000 -15.677 2.223 665 HG3 PRO 76 1HG PRO 76 7.016 -13.935 2.586 666 HD2 PRO 76 2HD PRO 76 4.645 -15.740 2.116 667 HD3 PRO 76 1HD PRO 76 4.900 -14.531 3.399 668 H GLY 77 H GLY 77 5.941 -13.746 -2.253 669 HA2 GLY 77 2HA GLY 77 5.186 -15.729 -3.663 670 HA3 GLY 77 1HA GLY 77 3.556 -15.242 -3.205 671 H GLN 78 H GLN 78 3.805 -15.328 -5.752 672 HA GLN 78 HA GLN 78 4.771 -12.812 -6.887 673 HB2 GLN 78 2HB GLN 78 5.261 -14.943 -8.069 674 HB3 GLN 78 1HB GLN 78 3.542 -15.254 -8.247 675 HG2 GLN 78 2HG GLN 78 4.548 -14.439 -10.349 676 HG3 GLN 78 1HG GLN 78 3.316 -13.330 -9.753 677 HE21 GLN 78 1HE2 GLN 78 6.770 -13.795 -10.232 678 HE22 GLN 78 2HE2 GLN 78 7.206 -12.134 -10.049 679 H ALA 79 H ALA 79 3.200 -11.647 -5.550 680 HA ALA 79 HA ALA 79 0.643 -11.254 -7.001 681 HB1 ALA 79 3HB ALA 79 -0.300 -10.356 -4.903 682 HB2 ALA 79 1HB ALA 79 1.210 -10.723 -4.067 683 HB3 ALA 79 2HB ALA 79 0.221 -12.031 -4.716 684 H LEU 80 H LEU 80 3.383 -10.171 -7.522 685 HA LEU 80 HA LEU 80 3.309 -7.340 -7.035 686 HB2 LEU 80 2HB LEU 80 4.796 -8.990 -9.125 687 HB3 LEU 80 1HB LEU 80 5.063 -7.272 -8.853 688 HG LEU 80 HG LEU 80 5.578 -9.473 -6.809 689 HD11 LEU 80 1HD1 LEU 80 7.961 -8.998 -7.136 690 HD12 LEU 80 2HD1 LEU 80 7.569 -7.862 -8.431 691 HD13 LEU 80 3HD1 LEU 80 7.205 -9.580 -8.617 692 HD21 LEU 80 3HD2 LEU 80 4.922 -7.398 -5.717 693 HD22 LEU 80 1HD2 LEU 80 6.124 -6.493 -6.642 694 HD23 LEU 80 2HD2 LEU 80 6.637 -7.702 -5.461 695 H GLY 81 H GLY 81 1.729 -6.098 -7.824 696 HA2 GLY 81 2HA GLY 81 0.690 -5.044 -9.778 697 HA3 GLY 81 1HA GLY 81 0.558 -6.636 -10.508 698 H ASP 82 H ASP 82 -0.109 -7.239 -7.379 699 HA ASP 82 HA ASP 82 -2.906 -7.586 -7.748 700 HB2 ASP 82 2HB ASP 82 -1.389 -8.947 -6.182 701 HB3 ASP 82 1HB ASP 82 -1.443 -7.589 -5.070 702 H TYR 83 H TYR 83 -4.647 -6.463 -6.812 703 HA TYR 83 HA TYR 83 -4.161 -3.597 -6.483 704 HB2 TYR 83 2HB TYR 83 -6.704 -5.174 -7.053 705 HB3 TYR 83 1HB TYR 83 -6.619 -3.415 -6.936 706 HD1 TYR 83 HD2 TYR 83 -5.328 -2.117 -8.641 707 HD2 TYR 83 HD1 TYR 83 -5.973 -6.314 -9.090 708 HE1 TYR 83 HE2 TYR 83 -4.724 -1.950 -11.012 709 HE2 TYR 83 HE1 TYR 83 -5.362 -6.156 -11.464 710 HH TYR 83 HH TYR 83 -3.884 -3.419 -12.818 711 H VAL 84 H VAL 84 -4.262 -2.682 -4.587 712 HA VAL 84 HA VAL 84 -5.486 -4.030 -2.273 713 HB VAL 84 HB VAL 84 -4.145 -2.609 -0.856 714 HG11 VAL 84 1HG1 VAL 84 -2.381 -3.582 -3.129 715 HG12 VAL 84 2HG1 VAL 84 -2.948 -4.545 -1.764 716 HG13 VAL 84 3HG1 VAL 84 -1.841 -3.201 -1.490 717 HG21 VAL 84 3HG2 VAL 84 -4.298 -0.484 -2.081 718 HG22 VAL 84 1HG2 VAL 84 -3.206 -1.105 -3.322 719 HG23 VAL 84 2HG2 VAL 84 -2.621 -0.852 -1.674 720 H GLU 85 H GLU 85 -7.155 -3.049 -1.147 721 HA GLU 85 HA GLU 85 -8.184 -0.436 -2.119 722 HB2 GLU 85 2HB GLU 85 -9.591 -2.648 -0.561 723 HB3 GLU 85 1HB GLU 85 -10.318 -1.084 -0.955 724 HG2 GLU 85 2HG GLU 85 -10.046 -1.598 -3.375 725 HG3 GLU 85 1HG GLU 85 -9.363 -3.164 -2.954 726 H ILE 86 H ILE 86 -7.367 1.126 -0.974 727 HA ILE 86 HA ILE 86 -6.445 0.749 1.756 728 HB ILE 86 HB ILE 86 -6.174 3.240 0.007 729 HG12 ILE 86 2HG1 ILE 86 -4.140 0.999 0.387 730 HG13 ILE 86 1HG1 ILE 86 -5.118 1.206 -1.060 731 HG21 ILE 86 1HG2 ILE 86 -4.677 2.332 2.490 732 HG22 ILE 86 2HG2 ILE 86 -5.849 3.647 2.404 733 HG23 ILE 86 3HG2 ILE 86 -4.312 3.784 1.552 734 HD11 ILE 86 3HD1 ILE 86 -2.871 2.027 -1.402 735 HD12 ILE 86 1HD1 ILE 86 -3.028 3.138 -0.040 736 HD13 ILE 86 2HD1 ILE 86 -4.023 3.358 -1.483 737 H VAL 87 H VAL 87 -8.144 0.800 3.118 738 HA VAL 87 HA VAL 87 -10.364 2.653 2.737 739 HB VAL 87 HB VAL 87 -10.123 0.551 4.930 740 HG11 VAL 87 1HG1 VAL 87 -11.865 2.256 5.280 741 HG12 VAL 87 2HG1 VAL 87 -12.582 0.670 4.992 742 HG13 VAL 87 3HG1 VAL 87 -12.568 1.878 3.704 743 HG21 VAL 87 3HG2 VAL 87 -9.845 -0.621 2.784 744 HG22 VAL 87 1HG2 VAL 87 -11.311 0.136 2.156 745 HG23 VAL 87 2HG2 VAL 87 -11.413 -1.007 3.497 746 H LEU 88 H LEU 88 -10.612 4.471 3.908 747 HA LEU 88 HA LEU 88 -9.095 4.845 6.425 748 HB2 LEU 88 2HB LEU 88 -8.380 6.375 4.586 749 HB3 LEU 88 1HB LEU 88 -10.021 6.962 4.423 750 HG LEU 88 HG LEU 88 -8.317 8.467 5.656 751 HD11 LEU 88 1HD1 LEU 88 -10.906 7.897 7.118 752 HD12 LEU 88 2HD1 LEU 88 -10.708 8.957 5.722 753 HD13 LEU 88 3HD1 LEU 88 -9.923 9.359 7.246 754 HD21 LEU 88 3HD2 LEU 88 -8.778 6.513 7.935 755 HD22 LEU 88 1HD2 LEU 88 -7.933 8.061 8.044 756 HD23 LEU 88 2HD2 LEU 88 -7.261 6.759 7.067 757 H GLU 89 H GLU 89 -10.387 4.828 8.132 758 HA GLU 89 HA GLU 89 -13.298 4.975 7.870 759 HB2 GLU 89 2HB GLU 89 -11.502 4.277 10.240 760 HB3 GLU 89 1HB GLU 89 -13.260 4.222 10.268 761 HG2 GLU 89 2HG GLU 89 -12.530 1.986 10.020 762 HG3 GLU 89 1HG GLU 89 -13.160 2.483 8.452 763 H HIS 90 H HIS 90 -14.566 6.534 9.004 764 HA HIS 90 HA HIS 90 -13.100 8.839 10.170 765 HB2 HIS 90 2HB HIS 90 -14.962 10.285 9.521 766 HB3 HIS 90 1HB HIS 90 -14.387 9.409 8.110 767 HD1 HIS 90 HD1 HIS 90 -16.004 7.557 7.140 768 HD2 HIS 90 HD2 HIS 90 -17.631 9.872 10.183 769 HE1 HIS 90 HE1 HIS 90 -18.480 7.186 7.022 770 HE2 HIS 90 HE2 HIS 90 -19.417 8.486 8.956 771 H HIS 91 H HIS 91 -13.596 9.498 12.210 772 HA HIS 91 HA HIS 91 -15.945 8.567 13.656 773 HB2 HIS 91 2HB HIS 91 -14.347 6.711 14.052 774 HB3 HIS 91 1HB HIS 91 -13.113 7.848 14.577 775 HD1 HIS 91 HD1 HIS 91 -16.426 6.395 15.683 776 HD2 HIS 91 HD2 HIS 91 -13.238 8.523 17.290 777 HE1 HIS 91 HE1 HIS 91 -16.789 6.394 18.166 778 HE2 HIS 91 HE2 HIS 91 -14.804 7.596 19.117 Start of MODEL 13 1 H1 MET 1 1H MET 1 -15.673 3.028 1.128 2 H2 MET 1 2H MET 1 -15.641 2.655 -0.517 3 H3 MET 1 3H MET 1 -16.721 3.814 0.062 4 HA MET 1 HA MET 1 -14.844 4.822 -1.070 5 HB2 MET 1 2HB MET 1 -14.909 5.314 1.940 6 HB3 MET 1 1HB MET 1 -14.216 6.421 0.759 7 HG2 MET 1 2HG MET 1 -16.431 6.769 -0.231 8 HG3 MET 1 1HG MET 1 -17.124 5.598 0.895 9 HE1 MET 1 3HE MET 1 -18.604 8.933 2.276 10 HE2 MET 1 1HE MET 1 -18.971 7.273 1.809 11 HE3 MET 1 2HE MET 1 -18.411 8.430 0.598 12 H ARG 2 H ARG 2 -13.249 3.497 -1.833 13 HA ARG 2 HA ARG 2 -10.897 3.055 -0.083 14 HB2 ARG 2 2HB ARG 2 -11.959 1.125 -2.213 15 HB3 ARG 2 1HB ARG 2 -10.352 1.006 -1.511 16 HG2 ARG 2 2HG ARG 2 -11.574 -0.603 -0.343 17 HG3 ARG 2 1HG ARG 2 -11.552 0.768 0.765 18 HD2 ARG 2 2HD ARG 2 -13.758 -0.221 0.760 19 HD3 ARG 2 1HD ARG 2 -13.850 1.362 -0.011 20 HE ARG 2 HE ARG 2 -13.926 0.223 -2.170 21 HH11 ARG 2 1HH1 ARG 2 -14.644 -1.790 0.637 22 HH12 ARG 2 2HH1 ARG 2 -15.536 -2.960 -0.284 23 HH21 ARG 2 1HH2 ARG 2 -15.128 -1.307 -3.344 24 HH22 ARG 2 2HH2 ARG 2 -15.807 -2.684 -2.536 25 H ILE 3 H ILE 3 -8.914 3.472 -1.046 26 HA ILE 3 HA ILE 3 -8.891 4.621 -3.775 27 HB ILE 3 HB ILE 3 -6.738 4.835 -1.607 28 HG12 ILE 3 2HG1 ILE 3 -8.782 6.930 -2.495 29 HG13 ILE 3 1HG1 ILE 3 -8.810 6.068 -0.963 30 HG21 ILE 3 1HG2 ILE 3 -5.824 4.998 -3.894 31 HG22 ILE 3 2HG2 ILE 3 -5.727 6.558 -3.078 32 HG23 ILE 3 3HG2 ILE 3 -6.985 6.272 -4.281 33 HD11 ILE 3 3HD1 ILE 3 -6.715 7.146 -0.320 34 HD12 ILE 3 1HD1 ILE 3 -7.979 8.316 -0.687 35 HD13 ILE 3 2HD1 ILE 3 -6.692 8.021 -1.853 36 H LYS 4 H LYS 4 -7.836 3.467 -5.362 37 HA LYS 4 HA LYS 4 -6.950 0.768 -4.654 38 HB2 LYS 4 2HB LYS 4 -7.100 0.311 -7.077 39 HB3 LYS 4 1HB LYS 4 -8.588 1.000 -6.451 40 HG2 LYS 4 2HG LYS 4 -7.905 3.223 -7.376 41 HG3 LYS 4 1HG LYS 4 -6.485 2.449 -8.086 42 HD2 LYS 4 2HD LYS 4 -8.218 2.657 -9.788 43 HD3 LYS 4 1HD LYS 4 -7.983 0.952 -9.404 44 HE2 LYS 4 2HE LYS 4 -9.996 0.972 -7.996 45 HE3 LYS 4 1HE LYS 4 -10.223 2.695 -8.308 46 HZ1 LYS 4 3HZ LYS 4 -11.652 1.373 -9.723 47 HZ2 LYS 4 1HZ LYS 4 -10.328 0.528 -10.342 48 HZ3 LYS 4 2HZ LYS 4 -10.503 2.175 -10.664 49 H GLY 5 H GLY 5 -4.894 0.223 -4.487 50 HA2 GLY 5 2HA GLY 5 -2.754 1.904 -5.702 51 HA3 GLY 5 1HA GLY 5 -2.635 1.156 -4.112 52 H VAL 6 H VAL 6 -1.243 0.852 -6.916 53 HA VAL 6 HA VAL 6 -1.580 -2.015 -7.356 54 HB VAL 6 HB VAL 6 -0.004 0.134 -8.841 55 HG11 VAL 6 1HG1 VAL 6 0.594 -1.583 -10.528 56 HG12 VAL 6 2HG1 VAL 6 -0.089 -2.841 -9.495 57 HG13 VAL 6 3HG1 VAL 6 1.331 -1.938 -8.964 58 HG21 VAL 6 3HG2 VAL 6 -2.437 0.125 -9.194 59 HG22 VAL 6 1HG2 VAL 6 -2.387 -1.589 -9.621 60 HG23 VAL 6 2HG2 VAL 6 -1.602 -0.394 -10.658 61 H VAL 7 H VAL 7 -0.249 -3.513 -6.677 62 HA VAL 7 HA VAL 7 1.771 -3.086 -4.743 63 HB VAL 7 HB VAL 7 1.224 -5.583 -6.424 64 HG11 VAL 7 1HG1 VAL 7 2.646 -5.336 -3.747 65 HG12 VAL 7 2HG1 VAL 7 3.412 -5.667 -5.302 66 HG13 VAL 7 3HG1 VAL 7 2.296 -6.839 -4.602 67 HG21 VAL 7 3HG2 VAL 7 -0.183 -6.370 -4.547 68 HG22 VAL 7 1HG2 VAL 7 -0.819 -4.888 -5.264 69 HG23 VAL 7 2HG2 VAL 7 0.041 -4.822 -3.726 70 H LEU 8 H LEU 8 3.530 -1.937 -5.417 71 HA LEU 8 HA LEU 8 4.845 -2.358 -7.960 72 HB2 LEU 8 2HB LEU 8 5.768 -0.798 -5.518 73 HB3 LEU 8 1HB LEU 8 6.534 -0.757 -7.098 74 HG LEU 8 HG LEU 8 3.786 0.336 -6.374 75 HD11 LEU 8 1HD1 LEU 8 4.761 2.516 -7.016 76 HD12 LEU 8 2HD1 LEU 8 6.326 1.746 -7.267 77 HD13 LEU 8 3HD1 LEU 8 5.607 1.782 -5.656 78 HD21 LEU 8 3HD2 LEU 8 3.641 -0.645 -8.605 79 HD22 LEU 8 1HD2 LEU 8 5.079 0.240 -9.121 80 HD23 LEU 8 2HD2 LEU 8 3.601 1.113 -8.704 81 H SER 9 H SER 9 5.782 -2.909 -4.529 82 HA SER 9 HA SER 9 7.262 -5.319 -5.216 83 HB2 SER 9 2HB SER 9 8.740 -2.946 -3.980 84 HB3 SER 9 1HB SER 9 9.421 -4.555 -4.236 85 HG SER 9 HG SER 9 8.838 -4.131 -6.538 86 H TYR 10 H TYR 10 8.223 -6.366 -3.276 87 HA TYR 10 HA TYR 10 6.934 -5.681 -0.690 88 HB2 TYR 10 2HB TYR 10 7.994 -8.420 -1.571 89 HB3 TYR 10 1HB TYR 10 7.135 -8.057 -0.075 90 HD1 TYR 10 HD2 TYR 10 4.666 -7.476 -0.175 91 HD2 TYR 10 HD1 TYR 10 6.789 -8.880 -3.610 92 HE1 TYR 10 HE2 TYR 10 2.536 -7.976 -1.302 93 HE2 TYR 10 HE1 TYR 10 4.656 -9.371 -4.730 94 HH TYR 10 HH TYR 10 1.668 -8.236 -3.538 95 H ARG 11 H ARG 11 8.315 -5.676 1.139 96 HA ARG 11 HA ARG 11 11.196 -6.072 0.665 97 HB2 ARG 11 2HB ARG 11 10.721 -3.627 0.472 98 HB3 ARG 11 1HB ARG 11 10.054 -3.635 2.105 99 HG2 ARG 11 2HG ARG 11 12.228 -4.255 3.038 100 HG3 ARG 11 1HG ARG 11 12.910 -4.421 1.420 101 HD2 ARG 11 2HD ARG 11 12.438 -1.953 1.070 102 HD3 ARG 11 1HD ARG 11 12.020 -1.865 2.789 103 HE ARG 11 HE ARG 11 14.493 -3.049 2.753 104 HH11 ARG 11 1HH1 ARG 11 13.264 0.010 1.486 105 HH12 ARG 11 2HH1 ARG 11 14.795 0.813 1.649 106 HH21 ARG 11 1HH2 ARG 11 16.486 -1.983 2.927 107 HH22 ARG 11 2HH2 ARG 11 16.614 -0.312 2.462 108 H ARG 12 H ARG 12 11.786 -7.621 2.012 109 HA ARG 12 HA ARG 12 10.503 -8.111 4.558 110 HB2 ARG 12 2HB ARG 12 12.950 -9.372 3.232 111 HB3 ARG 12 1HB ARG 12 12.227 -9.938 4.738 112 HG2 ARG 12 2HG ARG 12 10.822 -9.847 2.046 113 HG3 ARG 12 1HG ARG 12 11.507 -11.294 2.790 114 HD2 ARG 12 2HD ARG 12 9.891 -11.260 4.565 115 HD3 ARG 12 1HD ARG 12 9.356 -9.630 4.150 116 HE ARG 12 HE ARG 12 8.812 -11.116 1.924 117 HH11 ARG 12 1HH1 ARG 12 7.898 -11.344 5.313 118 HH12 ARG 12 2HH1 ARG 12 6.366 -12.078 4.964 119 HH21 ARG 12 1HH2 ARG 12 6.760 -12.015 1.485 120 HH22 ARG 12 2HH2 ARG 12 5.719 -12.458 2.800 121 H SER 13 H SER 13 10.967 -6.991 6.321 122 HA SER 13 HA SER 13 13.047 -5.078 6.525 123 HB2 SER 13 2HB SER 13 12.214 -4.833 8.882 124 HB3 SER 13 1HB SER 13 10.910 -4.787 7.694 125 HG SER 13 HG SER 13 10.261 -6.158 9.302 126 H LYS 14 H LYS 14 15.089 -5.272 7.283 127 HA LYS 14 HA LYS 14 16.117 -7.881 8.070 128 HB2 LYS 14 2HB LYS 14 17.584 -5.233 7.663 129 HB3 LYS 14 1HB LYS 14 18.354 -6.790 7.944 130 HG2 LYS 14 2HG LYS 14 16.732 -5.980 5.511 131 HG3 LYS 14 1HG LYS 14 18.478 -6.235 5.589 132 HD2 LYS 14 2HD LYS 14 18.021 -8.653 6.178 133 HD3 LYS 14 1HD LYS 14 16.305 -8.345 5.895 134 HE2 LYS 14 2HE LYS 14 17.257 -9.365 3.916 135 HE3 LYS 14 1HE LYS 14 16.875 -7.685 3.539 136 HZ1 LYS 14 3HZ LYS 14 19.057 -8.373 2.714 137 HZ2 LYS 14 1HZ LYS 14 19.569 -8.694 4.287 138 HZ3 LYS 14 2HZ LYS 14 19.186 -7.112 3.829 139 H GLU 15 H GLU 15 14.552 -7.561 9.960 140 HA GLU 15 HA GLU 15 15.842 -6.244 12.285 141 HB2 GLU 15 2HB GLU 15 12.921 -7.011 11.816 142 HB3 GLU 15 1HB GLU 15 13.544 -6.263 13.283 143 HG2 GLU 15 2HG GLU 15 13.608 -4.992 10.528 144 HG3 GLU 15 1HG GLU 15 12.383 -4.667 11.753 145 H ASN 16 H ASN 16 15.208 -7.435 14.389 146 HA ASN 16 HA ASN 16 16.022 -10.214 14.207 147 HB2 ASN 16 2HB ASN 16 15.290 -8.433 16.565 148 HB3 ASN 16 1HB ASN 16 15.739 -10.123 16.739 149 HD21 ASN 16 1HD2 ASN 16 17.292 -7.913 14.421 150 HD22 ASN 16 2HD2 ASN 16 18.811 -7.884 15.230 151 H GLN 17 H GLN 17 13.069 -8.405 14.999 152 HA GLN 17 HA GLN 17 11.336 -10.379 13.958 153 HB2 GLN 17 2HB GLN 17 11.904 -11.480 16.174 154 HB3 GLN 17 1HB GLN 17 11.180 -10.111 17.007 155 HG2 GLN 17 2HG GLN 17 8.989 -10.655 16.015 156 HG3 GLN 17 1HG GLN 17 9.720 -11.992 15.124 157 HE21 GLN 17 1HE2 GLN 17 10.302 -13.874 16.255 158 HE22 GLN 17 2HE2 GLN 17 9.725 -14.213 17.849 159 H HIS 18 H HIS 18 10.580 -8.556 12.825 160 HA HIS 18 HA HIS 18 8.588 -6.928 14.240 161 HB2 HIS 18 2HB HIS 18 10.935 -5.778 12.699 162 HB3 HIS 18 1HB HIS 18 9.409 -4.904 12.735 163 HD1 HIS 18 HD1 HIS 18 12.407 -4.404 14.189 164 HD2 HIS 18 HD2 HIS 18 8.675 -5.062 15.886 165 HE1 HIS 18 HE1 HIS 18 12.502 -3.349 16.465 166 HE2 HIS 18 HE2 HIS 18 10.276 -3.853 17.494 167 H ASN 19 H ASN 19 7.421 -5.495 12.430 168 HA ASN 19 HA ASN 19 6.112 -7.412 10.746 169 HB2 ASN 19 2HB ASN 19 5.710 -4.388 10.734 170 HB3 ASN 19 1HB ASN 19 4.582 -5.611 10.157 171 HD21 ASN 19 1HD2 ASN 19 3.854 -7.199 11.881 172 HD22 ASN 19 2HD2 ASN 19 3.515 -6.537 13.441 173 H ASN 20 H ASN 20 5.662 -6.988 8.418 174 HA ASN 20 HA ASN 20 8.215 -6.598 7.013 175 HB2 ASN 20 2HB ASN 20 5.554 -7.686 5.972 176 HB3 ASN 20 1HB ASN 20 7.093 -7.694 5.104 177 HD21 ASN 20 1HD2 ASN 20 5.286 -9.122 7.732 178 HD22 ASN 20 2HD2 ASN 20 6.336 -10.467 7.984 179 H VAL 21 H VAL 21 8.375 -5.318 5.120 180 HA VAL 21 HA VAL 21 6.644 -2.913 5.056 181 HB VAL 21 HB VAL 21 9.459 -3.325 3.902 182 HG11 VAL 21 1HG1 VAL 21 9.525 -0.868 3.659 183 HG12 VAL 21 2HG1 VAL 21 7.859 -0.758 4.232 184 HG13 VAL 21 3HG1 VAL 21 8.213 -1.569 2.705 185 HG21 VAL 21 3HG2 VAL 21 9.500 -3.444 6.362 186 HG22 VAL 21 1HG2 VAL 21 8.643 -1.903 6.467 187 HG23 VAL 21 2HG2 VAL 21 10.276 -1.963 5.799 188 H MET 22 H MET 22 5.903 -2.148 2.931 189 HA MET 22 HA MET 22 6.213 -3.907 0.615 190 HB2 MET 22 2HB MET 22 4.332 -4.879 1.905 191 HB3 MET 22 1HB MET 22 3.507 -3.329 1.902 192 HG2 MET 22 2HG MET 22 3.162 -3.462 -0.491 193 HG3 MET 22 1HG MET 22 4.131 -4.938 -0.591 194 HE1 MET 22 3HE MET 22 0.263 -5.950 -1.182 195 HE2 MET 22 1HE MET 22 1.837 -5.853 -1.971 196 HE3 MET 22 2HE MET 22 0.961 -4.376 -1.564 197 H ILE 23 H ILE 23 6.272 -2.735 -1.196 198 HA ILE 23 HA ILE 23 5.912 0.175 -1.073 199 HB ILE 23 HB ILE 23 7.264 -1.602 -3.161 200 HG12 ILE 23 2HG1 ILE 23 8.509 -1.576 -1.038 201 HG13 ILE 23 1HG1 ILE 23 9.397 -0.670 -2.256 202 HG21 ILE 23 1HG2 ILE 23 8.204 0.467 -4.125 203 HG22 ILE 23 2HG2 ILE 23 7.255 1.433 -2.997 204 HG23 ILE 23 3HG2 ILE 23 6.440 0.459 -4.220 205 HD11 ILE 23 3HD1 ILE 23 9.463 0.409 -0.071 206 HD12 ILE 23 1HD1 ILE 23 7.708 0.543 -0.059 207 HD13 ILE 23 2HD1 ILE 23 8.657 1.434 -1.253 208 H ILE 24 H ILE 24 3.979 0.904 -1.641 209 HA ILE 24 HA ILE 24 2.429 -0.341 -3.857 210 HB ILE 24 HB ILE 24 1.362 0.837 -1.235 211 HG12 ILE 24 2HG1 ILE 24 1.314 -2.069 -2.185 212 HG13 ILE 24 1HG1 ILE 24 2.422 -1.423 -0.982 213 HG21 ILE 24 1HG2 ILE 24 -0.202 -0.418 -3.525 214 HG22 ILE 24 2HG2 ILE 24 -0.177 1.296 -3.106 215 HG23 ILE 24 3HG2 ILE 24 -0.878 0.128 -1.988 216 HD11 ILE 24 3HD1 ILE 24 0.524 -0.925 0.485 217 HD12 ILE 24 1HD1 ILE 24 0.646 -2.634 0.074 218 HD13 ILE 24 2HD1 ILE 24 -0.572 -1.630 -0.710 219 H LYS 25 H LYS 25 1.316 1.181 -5.200 220 HA LYS 25 HA LYS 25 1.648 4.056 -4.576 221 HB2 LYS 25 2HB LYS 25 3.324 3.385 -6.286 222 HB3 LYS 25 1HB LYS 25 2.024 2.808 -7.325 223 HG2 LYS 25 2HG LYS 25 1.093 5.191 -7.289 224 HG3 LYS 25 1HG LYS 25 2.590 5.674 -6.484 225 HD2 LYS 25 2HD LYS 25 2.822 6.124 -8.859 226 HD3 LYS 25 1HD LYS 25 3.874 4.764 -8.455 227 HE2 LYS 25 2HE LYS 25 2.197 3.186 -9.336 228 HE3 LYS 25 1HE LYS 25 1.106 4.528 -9.692 229 HZ1 LYS 25 3HZ LYS 25 2.810 5.398 -11.208 230 HZ2 LYS 25 1HZ LYS 25 2.225 3.892 -11.678 231 HZ3 LYS 25 2HZ LYS 25 3.746 4.019 -10.951 232 HA PRO 26 HA PRO 26 -2.823 3.716 -5.479 233 HB2 PRO 26 2HB PRO 26 -2.939 6.583 -4.736 234 HB3 PRO 26 1HB PRO 26 -3.702 5.196 -3.939 235 HG2 PRO 26 2HG PRO 26 -1.640 6.587 -2.826 236 HG3 PRO 26 1HG PRO 26 -1.933 4.865 -2.501 237 HD2 PRO 26 2HD PRO 26 0.078 6.126 -4.343 238 HD3 PRO 26 1HD PRO 26 0.250 4.709 -3.279 239 H LEU 27 H LEU 27 -3.552 3.907 -7.549 240 HA LEU 27 HA LEU 27 -2.208 5.466 -9.541 241 HB2 LEU 27 2HB LEU 27 -4.866 3.999 -9.695 242 HB3 LEU 27 1HB LEU 27 -4.014 4.681 -11.075 243 HG LEU 27 HG LEU 27 -3.085 2.355 -9.347 244 HD11 LEU 27 1HD1 LEU 27 -3.316 1.037 -11.406 245 HD12 LEU 27 2HD1 LEU 27 -3.943 2.452 -12.254 246 HD13 LEU 27 3HD1 LEU 27 -4.850 1.750 -10.912 247 HD21 LEU 27 3HD2 LEU 27 -1.162 2.144 -10.873 248 HD22 LEU 27 1HD2 LEU 27 -1.121 3.668 -9.987 249 HD23 LEU 27 2HD2 LEU 27 -1.623 3.646 -11.678 250 H ASP 28 H ASP 28 -5.075 5.950 -7.607 251 HA ASP 28 HA ASP 28 -6.168 8.184 -9.020 252 HB2 ASP 28 2HB ASP 28 -7.475 6.722 -7.449 253 HB3 ASP 28 1HB ASP 28 -6.577 7.389 -6.098 254 H VAL 29 H VAL 29 -3.497 7.833 -6.917 255 HA VAL 29 HA VAL 29 -3.286 10.726 -6.319 256 HB VAL 29 HB VAL 29 -2.136 8.246 -4.950 257 HG11 VAL 29 1HG1 VAL 29 -1.435 11.136 -4.380 258 HG12 VAL 29 2HG1 VAL 29 -0.343 9.851 -4.885 259 HG13 VAL 29 3HG1 VAL 29 -1.090 9.793 -3.290 260 HG21 VAL 29 3HG2 VAL 29 -4.004 10.409 -3.895 261 HG22 VAL 29 1HG2 VAL 29 -3.380 9.034 -2.977 262 HG23 VAL 29 2HG2 VAL 29 -4.462 8.761 -4.342 263 H ASN 30 H ASN 30 -1.321 11.786 -6.842 264 HA ASN 30 HA ASN 30 0.838 10.337 -8.186 265 HB2 ASN 30 2HB ASN 30 0.825 11.962 -10.115 266 HB3 ASN 30 1HB ASN 30 -0.547 10.871 -10.071 267 HD21 ASN 30 1HD2 ASN 30 -0.134 13.953 -8.259 268 HD22 ASN 30 2HD2 ASN 30 -1.481 14.724 -8.992 269 H SER 31 H SER 31 0.010 12.473 -5.873 270 HA SER 31 HA SER 31 2.545 14.007 -6.029 271 HB2 SER 31 2HB SER 31 -0.178 15.050 -5.123 272 HB3 SER 31 1HB SER 31 1.337 15.967 -5.133 273 HG SER 31 HG SER 31 -0.371 15.804 -7.065 274 H ARG 32 H ARG 32 3.544 14.480 -4.055 275 HA ARG 32 HA ARG 32 3.405 12.434 -2.117 276 HB2 ARG 32 2HB ARG 32 5.502 13.625 -2.634 277 HB3 ARG 32 1HB ARG 32 4.849 15.116 -1.961 278 HG2 ARG 32 2HG ARG 32 4.737 14.070 0.268 279 HG3 ARG 32 1HG ARG 32 5.347 12.556 -0.392 280 HD2 ARG 32 2HD ARG 32 7.491 13.640 -0.920 281 HD3 ARG 32 1HD ARG 32 6.863 15.187 -0.328 282 HE ARG 32 HE ARG 32 6.510 13.536 1.795 283 HH11 ARG 32 1HH1 ARG 32 9.344 14.306 -0.144 284 HH12 ARG 32 2HH1 ARG 32 10.451 14.037 1.164 285 HH21 ARG 32 1HH2 ARG 32 7.952 13.172 3.482 286 HH22 ARG 32 2HH2 ARG 32 9.656 13.389 3.240 287 H GLU 33 H GLU 33 2.092 15.743 -2.136 288 HA GLU 33 HA GLU 33 1.356 16.035 0.556 289 HB2 GLU 33 2HB GLU 33 -0.029 17.093 -1.948 290 HB3 GLU 33 1HB GLU 33 -0.387 17.642 -0.313 291 HG2 GLU 33 2HG GLU 33 1.883 18.524 -0.069 292 HG3 GLU 33 1HG GLU 33 2.325 17.889 -1.650 293 H GLU 34 H GLU 34 -0.322 14.451 -2.110 294 HA GLU 34 HA GLU 34 -2.757 13.831 -0.749 295 HB2 GLU 34 2HB GLU 34 -1.558 12.365 -3.117 296 HB3 GLU 34 1HB GLU 34 -3.254 12.409 -2.647 297 HG2 GLU 34 2HG GLU 34 -3.337 14.808 -3.206 298 HG3 GLU 34 1HG GLU 34 -1.633 14.750 -3.676 299 H ALA 35 H ALA 35 0.205 11.963 -1.489 300 HA ALA 35 HA ALA 35 -0.432 9.572 -0.148 301 HB1 ALA 35 3HB ALA 35 1.446 9.786 -1.727 302 HB2 ALA 35 1HB ALA 35 1.999 9.129 -0.187 303 HB3 ALA 35 2HB ALA 35 2.309 10.823 -0.588 304 H SER 36 H SER 36 0.663 12.659 1.038 305 HA SER 36 HA SER 36 1.620 11.836 3.612 306 HB2 SER 36 2HB SER 36 2.488 13.842 2.476 307 HB3 SER 36 1HB SER 36 0.906 14.616 2.583 308 HG SER 36 HG SER 36 1.140 14.810 4.746 309 H LYS 37 H LYS 37 -1.493 13.050 2.354 310 HA LYS 37 HA LYS 37 -2.689 13.053 5.019 311 HB2 LYS 37 2HB LYS 37 -4.792 13.682 3.920 312 HB3 LYS 37 1HB LYS 37 -3.477 14.696 3.343 313 HG2 LYS 37 2HG LYS 37 -3.342 13.329 1.286 314 HG3 LYS 37 1HG LYS 37 -4.692 12.351 1.847 315 HD2 LYS 37 2HD LYS 37 -4.878 15.348 1.335 316 HD3 LYS 37 1HD LYS 37 -5.254 14.125 0.123 317 HE2 LYS 37 2HE LYS 37 -7.336 14.803 1.057 318 HE3 LYS 37 1HE LYS 37 -6.998 13.214 1.736 319 HZ1 LYS 37 3HZ LYS 37 -6.283 14.272 3.771 320 HZ2 LYS 37 1HZ LYS 37 -7.847 14.776 3.379 321 HZ3 LYS 37 2HZ LYS 37 -6.534 15.803 3.112 322 H LEU 38 H LEU 38 -1.806 10.618 2.946 323 HA LEU 38 HA LEU 38 -3.977 8.781 3.648 324 HB2 LEU 38 2HB LEU 38 -1.425 8.299 2.060 325 HB3 LEU 38 1HB LEU 38 -2.699 7.116 2.309 326 HG LEU 38 HG LEU 38 -2.890 9.675 0.693 327 HD11 LEU 38 1HD1 LEU 38 -3.269 8.189 -1.225 328 HD12 LEU 38 2HD1 LEU 38 -3.049 6.781 -0.182 329 HD13 LEU 38 3HD1 LEU 38 -1.705 7.889 -0.463 330 HD21 LEU 38 3HD2 LEU 38 -5.194 9.047 0.145 331 HD22 LEU 38 1HD2 LEU 38 -4.996 9.348 1.871 332 HD23 LEU 38 2HD2 LEU 38 -5.098 7.691 1.272 333 H ILE 39 H ILE 39 -1.120 9.868 5.096 334 HA ILE 39 HA ILE 39 -0.056 7.514 6.234 335 HB ILE 39 HB ILE 39 0.019 10.318 7.453 336 HG12 ILE 39 2HG1 ILE 39 0.929 10.391 5.167 337 HG13 ILE 39 1HG1 ILE 39 2.224 10.595 6.336 338 HG21 ILE 39 1HG2 ILE 39 2.090 9.543 8.600 339 HG22 ILE 39 2HG2 ILE 39 1.852 7.928 7.930 340 HG23 ILE 39 3HG2 ILE 39 0.681 8.587 9.072 341 HD11 ILE 39 3HD1 ILE 39 2.835 8.220 5.994 342 HD12 ILE 39 1HD1 ILE 39 2.954 9.209 4.541 343 HD13 ILE 39 2HD1 ILE 39 1.587 8.123 4.750 344 H GLY 40 H GLY 40 -0.982 6.172 7.637 345 HA2 GLY 40 2HA GLY 40 -1.806 5.685 9.826 346 HA3 GLY 40 1HA GLY 40 -2.713 7.189 9.817 347 H ARG 41 H ARG 41 -3.159 5.869 6.796 348 HA ARG 41 HA ARG 41 -5.783 4.800 7.525 349 HB2 ARG 41 2HB ARG 41 -4.542 5.297 4.784 350 HB3 ARG 41 1HB ARG 41 -6.191 4.734 5.059 351 HG2 ARG 41 2HG ARG 41 -6.693 6.835 6.264 352 HG3 ARG 41 1HG ARG 41 -5.052 7.400 5.941 353 HD2 ARG 41 2HD ARG 41 -5.544 7.220 3.488 354 HD3 ARG 41 1HD ARG 41 -7.221 6.822 3.901 355 HE ARG 41 HE ARG 41 -6.259 9.268 5.106 356 HH11 ARG 41 1HH1 ARG 41 -7.780 7.943 2.215 357 HH12 ARG 41 2HH1 ARG 41 -8.463 9.464 1.739 358 HH21 ARG 41 1HH2 ARG 41 -7.145 11.239 4.465 359 HH22 ARG 41 2HH2 ARG 41 -8.105 11.335 3.019 360 H LEU 42 H LEU 42 -6.561 2.836 6.453 361 HA LEU 42 HA LEU 42 -4.711 0.651 7.027 362 HB2 LEU 42 2HB LEU 42 -6.943 0.749 8.109 363 HB3 LEU 42 1HB LEU 42 -7.721 0.709 6.537 364 HG LEU 42 HG LEU 42 -6.939 -1.604 6.170 365 HD11 LEU 42 1HD1 LEU 42 -5.636 -1.387 8.895 366 HD12 LEU 42 2HD1 LEU 42 -4.806 -1.505 7.343 367 HD13 LEU 42 3HD1 LEU 42 -5.768 -2.858 7.926 368 HD21 LEU 42 3HD2 LEU 42 -9.082 -1.308 7.319 369 HD22 LEU 42 1HD2 LEU 42 -8.261 -1.268 8.882 370 HD23 LEU 42 2HD2 LEU 42 -8.253 -2.745 7.912 371 H VAL 43 H VAL 43 -4.204 -0.949 5.546 372 HA VAL 43 HA VAL 43 -5.100 -0.661 2.738 373 HB VAL 43 HB VAL 43 -2.299 -1.481 3.694 374 HG11 VAL 43 1HG1 VAL 43 -2.965 -2.703 1.666 375 HG12 VAL 43 2HG1 VAL 43 -1.706 -1.529 1.299 376 HG13 VAL 43 3HG1 VAL 43 -3.379 -1.184 0.862 377 HG21 VAL 43 3HG2 VAL 43 -1.501 0.597 2.624 378 HG22 VAL 43 1HG2 VAL 43 -2.655 0.954 3.913 379 HG23 VAL 43 2HG2 VAL 43 -3.162 1.047 2.224 380 H LEU 44 H LEU 44 -6.305 -2.395 2.269 381 HA LEU 44 HA LEU 44 -5.848 -4.988 3.585 382 HB2 LEU 44 2HB LEU 44 -8.254 -3.933 2.036 383 HB3 LEU 44 1HB LEU 44 -8.156 -5.514 2.803 384 HG LEU 44 HG LEU 44 -8.122 -2.828 4.247 385 HD11 LEU 44 1HD1 LEU 44 -10.309 -3.479 5.147 386 HD12 LEU 44 2HD1 LEU 44 -10.284 -4.954 4.177 387 HD13 LEU 44 3HD1 LEU 44 -10.343 -3.378 3.386 388 HD21 LEU 44 3HD2 LEU 44 -8.212 -4.130 6.336 389 HD22 LEU 44 1HD2 LEU 44 -6.726 -4.432 5.436 390 HD23 LEU 44 2HD2 LEU 44 -8.025 -5.625 5.416 391 H TRP 45 H TRP 45 -4.365 -6.061 2.403 392 HA TRP 45 HA TRP 45 -4.724 -6.313 -0.530 393 HB2 TRP 45 2HB TRP 45 -2.487 -5.514 0.093 394 HB3 TRP 45 1HB TRP 45 -2.284 -6.838 1.234 395 HD1 TRP 45 HD1 TRP 45 -2.988 -6.548 -2.595 396 HE1 TRP 45 HE1 TRP 45 -1.629 -8.353 -3.805 397 HE3 TRP 45 HE3 TRP 45 -0.702 -8.705 1.437 398 HZ2 TRP 45 HZ2 TRP 45 0.185 -10.402 -3.145 399 HZ3 TRP 45 HZ3 TRP 45 0.853 -10.576 1.044 400 HH2 TRP 45 HH2 TRP 45 1.286 -11.415 -1.211 401 H LYS 46 H LYS 46 -4.982 -8.352 -1.405 402 HA LYS 46 HA LYS 46 -5.546 -10.577 0.443 403 HB2 LYS 46 2HB LYS 46 -7.309 -10.021 -1.206 404 HB3 LYS 46 1HB LYS 46 -6.172 -10.263 -2.527 405 HG2 LYS 46 2HG LYS 46 -7.522 -12.239 -2.394 406 HG3 LYS 46 1HG LYS 46 -5.934 -12.672 -1.786 407 HD2 LYS 46 2HD LYS 46 -7.632 -13.687 -0.381 408 HD3 LYS 46 1HD LYS 46 -6.803 -12.436 0.547 409 HE2 LYS 46 2HE LYS 46 -9.224 -12.375 0.938 410 HE3 LYS 46 1HE LYS 46 -8.687 -10.891 0.156 411 HZ1 LYS 46 3HZ LYS 46 -10.025 -13.185 -1.164 412 HZ2 LYS 46 1HZ LYS 46 -9.492 -11.787 -1.951 413 HZ3 LYS 46 2HZ LYS 46 -10.731 -11.692 -0.808 414 H SER 47 H SER 47 -3.939 -11.930 0.757 415 HA SER 47 HA SER 47 -1.657 -12.219 -0.993 416 HB2 SER 47 2HB SER 47 -0.919 -13.917 0.696 417 HB3 SER 47 1HB SER 47 -1.337 -12.377 1.439 418 HG SER 47 HG SER 47 -3.070 -13.258 2.345 419 HA PRO 48 HA PRO 48 -3.225 -15.829 -3.326 420 HB2 PRO 48 2HB PRO 48 -0.867 -17.177 -3.816 421 HB3 PRO 48 1HB PRO 48 -1.343 -15.704 -4.688 422 HG2 PRO 48 2HG PRO 48 0.506 -15.960 -2.336 423 HG3 PRO 48 1HG PRO 48 0.730 -15.037 -3.839 424 HD2 PRO 48 2HD PRO 48 -0.067 -13.821 -1.571 425 HD3 PRO 48 1HD PRO 48 -0.712 -13.314 -3.154 426 H SER 49 H SER 49 -1.682 -15.982 -0.273 427 HA SER 49 HA SER 49 -2.018 -18.733 0.382 428 HB2 SER 49 2HB SER 49 -0.520 -17.166 1.618 429 HB3 SER 49 1HB SER 49 -1.924 -16.278 2.201 430 HG SER 49 HG SER 49 -2.407 -18.731 2.887 431 H GLY 50 H GLY 50 -4.237 -16.128 -0.028 432 HA2 GLY 50 2HA GLY 50 -6.576 -16.320 -0.121 433 HA3 GLY 50 1HA GLY 50 -6.503 -17.756 0.886 434 H LYS 51 H LYS 51 -4.669 -15.048 1.924 435 HA LYS 51 HA LYS 51 -6.562 -14.548 4.149 436 HB2 LYS 51 2HB LYS 51 -3.551 -14.042 4.038 437 HB3 LYS 51 1HB LYS 51 -4.579 -13.882 5.453 438 HG2 LYS 51 2HG LYS 51 -4.299 -16.551 4.094 439 HG3 LYS 51 1HG LYS 51 -3.022 -15.965 5.148 440 HD2 LYS 51 2HD LYS 51 -4.360 -17.347 6.528 441 HD3 LYS 51 1HD LYS 51 -4.811 -15.702 6.960 442 HE2 LYS 51 2HE LYS 51 -6.862 -15.891 5.644 443 HE3 LYS 51 1HE LYS 51 -6.381 -17.487 5.075 444 HZ1 LYS 51 3HZ LYS 51 -6.942 -16.780 7.905 445 HZ2 LYS 51 1HZ LYS 51 -6.503 -18.303 7.331 446 HZ3 LYS 51 2HZ LYS 51 -7.982 -17.626 6.875 447 H ILE 52 H ILE 52 -7.003 -12.412 4.719 448 HA ILE 52 HA ILE 52 -6.195 -10.276 2.844 449 HB ILE 52 HB ILE 52 -8.125 -10.059 5.221 450 HG12 ILE 52 2HG1 ILE 52 -8.767 -10.370 2.251 451 HG13 ILE 52 1HG1 ILE 52 -8.975 -11.622 3.463 452 HG21 ILE 52 1HG2 ILE 52 -8.813 -7.923 4.137 453 HG22 ILE 52 2HG2 ILE 52 -7.572 -8.156 2.905 454 HG23 ILE 52 3HG2 ILE 52 -7.106 -7.906 4.588 455 HD11 ILE 52 3HD1 ILE 52 -11.070 -10.588 2.853 456 HD12 ILE 52 1HD1 ILE 52 -10.476 -9.011 3.372 457 HD13 ILE 52 2HD1 ILE 52 -10.700 -10.306 4.554 458 H LEU 53 H LEU 53 -4.104 -9.844 3.345 459 HA LEU 53 HA LEU 53 -3.142 -9.560 6.045 460 HB2 LEU 53 2HB LEU 53 -1.805 -8.816 3.412 461 HB3 LEU 53 1HB LEU 53 -1.023 -8.870 4.987 462 HG LEU 53 HG LEU 53 -2.086 -11.226 3.388 463 HD11 LEU 53 1HD1 LEU 53 0.720 -10.573 4.321 464 HD12 LEU 53 2HD1 LEU 53 0.098 -10.343 2.688 465 HD13 LEU 53 3HD1 LEU 53 0.227 -11.967 3.355 466 HD21 LEU 53 3HD2 LEU 53 -0.971 -11.273 6.214 467 HD22 LEU 53 1HD2 LEU 53 -1.299 -12.689 5.212 468 HD23 LEU 53 2HD2 LEU 53 -2.626 -11.653 5.726 469 H LYS 54 H LYS 54 -3.211 -7.790 7.215 470 HA LYS 54 HA LYS 54 -4.252 -5.289 6.079 471 HB2 LYS 54 2HB LYS 54 -3.912 -6.160 8.978 472 HB3 LYS 54 1HB LYS 54 -4.656 -4.656 8.434 473 HG2 LYS 54 2HG LYS 54 -6.424 -5.990 7.270 474 HG3 LYS 54 1HG LYS 54 -5.701 -7.463 7.926 475 HD2 LYS 54 2HD LYS 54 -7.614 -6.764 9.301 476 HD3 LYS 54 1HD LYS 54 -6.117 -6.650 10.227 477 HE2 LYS 54 2HE LYS 54 -6.067 -4.192 9.724 478 HE3 LYS 54 1HE LYS 54 -7.641 -4.358 8.948 479 HZ1 LYS 54 3HZ LYS 54 -8.553 -5.102 11.041 480 HZ2 LYS 54 1HZ LYS 54 -7.831 -3.588 11.219 481 HZ3 LYS 54 2HZ LYS 54 -7.051 -4.972 11.791 482 H GLY 55 H GLY 55 -2.968 -3.658 5.761 483 HA2 GLY 55 2HA GLY 55 -0.401 -3.333 7.190 484 HA3 GLY 55 1HA GLY 55 -0.582 -3.014 5.465 485 H LYS 56 H LYS 56 0.349 -0.961 6.787 486 HA LYS 56 HA LYS 56 -1.845 0.962 6.659 487 HB2 LYS 56 2HB LYS 56 -1.899 0.414 9.006 488 HB3 LYS 56 1HB LYS 56 -0.153 0.548 9.159 489 HG2 LYS 56 2HG LYS 56 -0.197 2.920 9.043 490 HG3 LYS 56 1HG LYS 56 -1.826 2.951 8.367 491 HD2 LYS 56 2HD LYS 56 -1.130 2.088 11.200 492 HD3 LYS 56 1HD LYS 56 -1.760 3.677 10.745 493 HE2 LYS 56 2HE LYS 56 -3.820 2.610 9.881 494 HE3 LYS 56 1HE LYS 56 -3.190 1.025 10.341 495 HZ1 LYS 56 3HZ LYS 56 -3.914 3.256 12.144 496 HZ2 LYS 56 1HZ LYS 56 -3.122 1.852 12.659 497 HZ3 LYS 56 2HZ LYS 56 -4.674 1.755 12.003 498 H ILE 57 H ILE 57 -1.231 2.807 5.796 499 HA ILE 57 HA ILE 57 1.348 3.162 4.658 500 HB ILE 57 HB ILE 57 -0.973 5.130 4.973 501 HG12 ILE 57 2HG1 ILE 57 -0.191 3.392 2.583 502 HG13 ILE 57 1HG1 ILE 57 -1.505 3.034 3.694 503 HG21 ILE 57 1HG2 ILE 57 0.086 6.429 3.139 504 HG22 ILE 57 2HG2 ILE 57 1.462 5.325 3.154 505 HG23 ILE 57 3HG2 ILE 57 1.134 6.340 4.558 506 HD11 ILE 57 3HD1 ILE 57 -1.340 5.370 1.804 507 HD12 ILE 57 1HD1 ILE 57 -2.635 5.099 2.976 508 HD13 ILE 57 2HD1 ILE 57 -2.372 3.946 1.670 509 H VAL 58 H VAL 58 2.924 3.263 6.179 510 HA VAL 58 HA VAL 58 2.697 4.898 8.602 511 HB VAL 58 HB VAL 58 4.884 3.890 9.240 512 HG11 VAL 58 1HG1 VAL 58 2.820 1.843 8.335 513 HG12 VAL 58 2HG1 VAL 58 2.815 2.719 9.866 514 HG13 VAL 58 3HG1 VAL 58 4.095 1.555 9.523 515 HG21 VAL 58 3HG2 VAL 58 5.925 2.129 7.847 516 HG22 VAL 58 1HG2 VAL 58 5.865 3.663 6.974 517 HG23 VAL 58 2HG2 VAL 58 4.708 2.387 6.593 518 H ARG 59 H ARG 59 4.096 5.051 5.448 519 HA ARG 59 HA ARG 59 5.229 7.678 5.942 520 HB2 ARG 59 2HB ARG 59 7.036 5.865 6.457 521 HB3 ARG 59 1HB ARG 59 7.040 5.543 4.730 522 HG2 ARG 59 2HG ARG 59 8.886 7.037 5.299 523 HG3 ARG 59 1HG ARG 59 7.711 7.913 4.310 524 HD2 ARG 59 2HD ARG 59 6.737 8.886 6.404 525 HD3 ARG 59 1HD ARG 59 7.999 8.078 7.336 526 HE ARG 59 HE ARG 59 9.309 9.618 5.453 527 HH11 ARG 59 1HH1 ARG 59 7.089 10.221 8.131 528 HH12 ARG 59 2HH1 ARG 59 7.726 11.802 8.454 529 HH21 ARG 59 1HH2 ARG 59 10.113 11.707 5.878 530 HH22 ARG 59 2HH2 ARG 59 9.440 12.646 7.178 531 H VAL 60 H VAL 60 5.837 8.728 3.919 532 HA VAL 60 HA VAL 60 4.409 7.784 1.536 533 HB VAL 60 HB VAL 60 4.968 9.984 0.554 534 HG11 VAL 60 1HG1 VAL 60 3.909 10.278 3.386 535 HG12 VAL 60 2HG1 VAL 60 2.960 9.851 1.963 536 HG13 VAL 60 3HG1 VAL 60 3.696 11.449 2.078 537 HG21 VAL 60 3HG2 VAL 60 6.151 11.734 1.844 538 HG22 VAL 60 1HG2 VAL 60 7.195 10.342 1.541 539 HG23 VAL 60 2HG2 VAL 60 6.472 10.569 3.133 540 H HIS 61 H HIS 61 5.677 8.062 -0.551 541 HA HIS 61 HA HIS 61 8.516 7.350 -0.363 542 HB2 HIS 61 2HB HIS 61 7.302 5.185 -0.314 543 HB3 HIS 61 1HB HIS 61 6.420 5.621 -1.775 544 HD1 HIS 61 HD1 HIS 61 7.298 4.045 -3.483 545 HD2 HIS 61 HD2 HIS 61 10.367 5.671 -1.206 546 HE1 HIS 61 HE1 HIS 61 9.417 3.182 -4.491 547 HE2 HIS 61 HE2 HIS 61 11.243 4.344 -3.234 548 H GLY 62 H GLY 62 9.271 9.061 -1.430 549 HA2 GLY 62 2HA GLY 62 9.885 10.354 -3.215 550 HA3 GLY 62 1HA GLY 62 8.958 9.284 -4.253 551 H THR 63 H THR 63 8.698 11.500 -5.232 552 HA THR 63 HA THR 63 6.512 13.119 -4.119 553 HB THR 63 HB THR 63 7.018 14.612 -6.100 554 HG1 THR 63 HG1 THR 63 8.139 13.762 -7.655 555 HG21 THR 63 3HG2 THR 63 9.446 13.930 -4.390 556 HG22 THR 63 1HG2 THR 63 8.151 15.038 -3.924 557 HG23 THR 63 2HG2 THR 63 9.208 15.430 -5.285 558 H LYS 64 H LYS 64 6.648 10.324 -5.779 559 HA LYS 64 HA LYS 64 4.922 10.830 -8.053 560 HB2 LYS 64 2HB LYS 64 6.291 8.360 -6.925 561 HB3 LYS 64 1HB LYS 64 5.106 8.219 -8.216 562 HG2 LYS 64 2HG LYS 64 7.337 8.195 -9.157 563 HG3 LYS 64 1HG LYS 64 6.507 9.669 -9.656 564 HD2 LYS 64 2HD LYS 64 7.744 10.900 -7.828 565 HD3 LYS 64 1HD LYS 64 8.666 9.424 -7.517 566 HE2 LYS 64 2HE LYS 64 9.888 11.021 -8.975 567 HE3 LYS 64 1HE LYS 64 9.579 9.488 -9.788 568 HZ1 LYS 64 3HZ LYS 64 7.736 10.508 -10.960 569 HZ2 LYS 64 1HZ LYS 64 9.145 11.404 -11.218 570 HZ3 LYS 64 2HZ LYS 64 7.972 11.969 -10.147 571 H GLY 65 H GLY 65 4.215 10.684 -4.871 572 HA2 GLY 65 2HA GLY 65 2.208 10.501 -3.764 573 HA3 GLY 65 1HA GLY 65 1.452 9.980 -5.260 574 H ALA 66 H ALA 66 4.184 8.130 -4.694 575 HA ALA 66 HA ALA 66 2.723 5.771 -4.080 576 HB1 ALA 66 3HB ALA 66 5.728 6.240 -4.076 577 HB2 ALA 66 1HB ALA 66 4.763 5.725 -5.464 578 HB3 ALA 66 2HB ALA 66 4.925 4.669 -4.062 579 H VAL 67 H VAL 67 2.841 4.509 -2.177 580 HA VAL 67 HA VAL 67 3.484 5.987 0.309 581 HB VAL 67 HB VAL 67 1.520 4.856 1.360 582 HG11 VAL 67 1HG1 VAL 67 -0.238 6.246 0.328 583 HG12 VAL 67 2HG1 VAL 67 0.796 6.525 -1.076 584 HG13 VAL 67 3HG1 VAL 67 1.271 7.144 0.508 585 HG21 VAL 67 3HG2 VAL 67 1.320 2.884 -0.095 586 HG22 VAL 67 1HG2 VAL 67 0.846 3.902 -1.457 587 HG23 VAL 67 2HG2 VAL 67 -0.212 3.756 -0.047 588 H ARG 68 H ARG 68 4.519 4.860 1.908 589 HA ARG 68 HA ARG 68 5.375 2.092 1.358 590 HB2 ARG 68 2HB ARG 68 7.126 3.838 1.888 591 HB3 ARG 68 1HB ARG 68 6.414 4.023 3.489 592 HG2 ARG 68 2HG ARG 68 6.901 1.626 3.962 593 HG3 ARG 68 1HG ARG 68 7.645 1.476 2.370 594 HD2 ARG 68 2HD ARG 68 9.420 1.728 3.937 595 HD3 ARG 68 1HD ARG 68 9.291 3.270 3.084 596 HE ARG 68 HE ARG 68 7.774 3.284 5.503 597 HH11 ARG 68 1HH1 ARG 68 11.064 3.551 4.305 598 HH12 ARG 68 2HH1 ARG 68 11.619 4.469 5.669 599 HH21 ARG 68 1HH2 ARG 68 8.522 4.450 7.325 600 HH22 ARG 68 2HH2 ARG 68 10.176 4.978 7.383 601 H ALA 69 H ALA 69 3.895 0.707 2.087 602 HA ALA 69 HA ALA 69 2.469 1.211 4.632 603 HB1 ALA 69 3HB ALA 69 1.683 -0.571 2.294 604 HB2 ALA 69 1HB ALA 69 1.007 1.017 2.675 605 HB3 ALA 69 2HB ALA 69 0.751 -0.336 3.776 606 H ARG 70 H ARG 70 2.961 -0.053 6.340 607 HA ARG 70 HA ARG 70 4.521 -2.529 5.920 608 HB2 ARG 70 2HB ARG 70 4.140 -0.859 8.439 609 HB3 ARG 70 1HB ARG 70 5.030 -2.381 8.361 610 HG2 ARG 70 2HG ARG 70 6.545 -1.316 6.638 611 HG3 ARG 70 1HG ARG 70 5.739 0.220 6.979 612 HD2 ARG 70 2HD ARG 70 7.789 0.093 8.259 613 HD3 ARG 70 1HD ARG 70 6.417 -0.004 9.369 614 HE ARG 70 HE ARG 70 7.246 -2.608 8.614 615 HH11 ARG 70 1HH1 ARG 70 8.253 0.062 10.673 616 HH12 ARG 70 2HH1 ARG 70 9.120 -0.967 11.768 617 HH21 ARG 70 1HH2 ARG 70 8.407 -3.919 10.046 618 HH22 ARG 70 2HH2 ARG 70 9.209 -3.219 11.411 619 H PHE 71 H PHE 71 3.639 -4.421 6.229 620 HA PHE 71 HA PHE 71 0.862 -4.619 7.114 621 HB2 PHE 71 2HB PHE 71 2.682 -6.421 5.481 622 HB3 PHE 71 1HB PHE 71 1.149 -7.009 6.128 623 HD1 PHE 71 HD1 PHE 71 2.424 -3.979 4.254 624 HD2 PHE 71 HD2 PHE 71 -0.685 -6.881 4.693 625 HE1 PHE 71 HE1 PHE 71 1.186 -2.949 2.387 626 HE2 PHE 71 HE2 PHE 71 -1.900 -5.854 2.824 627 HZ PHE 71 HZ PHE 71 -0.975 -3.888 1.677 628 H GLU 72 H GLU 72 0.282 -5.429 8.976 629 HA GLU 72 HA GLU 72 2.075 -5.919 11.078 630 HB2 GLU 72 2HB GLU 72 0.068 -6.488 12.411 631 HB3 GLU 72 1HB GLU 72 -0.206 -5.060 11.419 632 HG2 GLU 72 2HG GLU 72 -1.494 -6.380 9.804 633 HG3 GLU 72 1HG GLU 72 -1.168 -7.849 10.720 634 H LYS 73 H LYS 73 0.564 -8.092 8.818 635 HA LYS 73 HA LYS 73 1.639 -10.477 10.197 636 HB2 LYS 73 2HB LYS 73 -0.251 -10.296 7.810 637 HB3 LYS 73 1HB LYS 73 0.223 -11.771 8.652 638 HG2 LYS 73 2HG LYS 73 -1.375 -9.484 9.851 639 HG3 LYS 73 1HG LYS 73 -2.038 -11.021 9.301 640 HD2 LYS 73 2HD LYS 73 0.011 -10.765 11.541 641 HD3 LYS 73 1HD LYS 73 -1.730 -10.829 11.797 642 HE2 LYS 73 2HE LYS 73 -0.124 -13.012 10.432 643 HE3 LYS 73 1HE LYS 73 -0.622 -13.033 12.124 644 HZ1 LYS 73 3HZ LYS 73 -2.930 -12.925 11.385 645 HZ2 LYS 73 1HZ LYS 73 -2.147 -14.300 10.806 646 HZ3 LYS 73 2HZ LYS 73 -2.432 -12.995 9.772 647 H GLY 74 H GLY 74 1.271 -9.408 6.791 648 HA2 GLY 74 2HA GLY 74 2.702 -9.424 5.014 649 HA3 GLY 74 1HA GLY 74 4.018 -9.300 6.171 650 H LEU 75 H LEU 75 1.624 -11.823 5.355 651 HA LEU 75 HA LEU 75 3.417 -14.019 5.510 652 HB2 LEU 75 2HB LEU 75 0.654 -13.673 4.284 653 HB3 LEU 75 1HB LEU 75 1.495 -15.212 4.235 654 HG LEU 75 HG LEU 75 0.671 -13.765 6.788 655 HD11 LEU 75 1HD1 LEU 75 -1.003 -15.545 7.037 656 HD12 LEU 75 2HD1 LEU 75 -0.547 -16.215 5.468 657 HD13 LEU 75 3HD1 LEU 75 -1.280 -14.612 5.567 658 HD21 LEU 75 3HD2 LEU 75 1.909 -16.510 6.388 659 HD22 LEU 75 1HD2 LEU 75 1.307 -15.870 7.921 660 HD23 LEU 75 2HD2 LEU 75 2.683 -15.108 7.130 661 HA PRO 76 HA PRO 76 5.421 -14.074 1.487 662 HB2 PRO 76 2HB PRO 76 5.290 -16.784 0.836 663 HB3 PRO 76 1HB PRO 76 6.443 -16.094 1.994 664 HG2 PRO 76 2HG PRO 76 3.820 -17.448 2.549 665 HG3 PRO 76 1HG PRO 76 5.389 -17.663 3.364 666 HD2 PRO 76 2HD PRO 76 3.492 -16.142 4.475 667 HD3 PRO 76 1HD PRO 76 5.199 -15.651 4.556 668 H GLY 77 H GLY 77 4.842 -13.709 -0.589 669 HA2 GLY 77 2HA GLY 77 3.070 -15.017 -2.214 670 HA3 GLY 77 1HA GLY 77 2.102 -13.785 -1.409 671 H GLN 78 H GLN 78 3.067 -14.171 -4.254 672 HA GLN 78 HA GLN 78 4.302 -11.500 -4.679 673 HB2 GLN 78 2HB GLN 78 5.908 -13.269 -5.233 674 HB3 GLN 78 1HB GLN 78 4.725 -14.082 -6.253 675 HG2 GLN 78 2HG GLN 78 4.740 -12.127 -7.794 676 HG3 GLN 78 1HG GLN 78 5.968 -11.356 -6.791 677 HE21 GLN 78 1HE2 GLN 78 5.301 -14.000 -8.982 678 HE22 GLN 78 2HE2 GLN 78 6.945 -14.373 -9.356 679 H ALA 79 H ALA 79 2.473 -10.398 -5.052 680 HA ALA 79 HA ALA 79 0.733 -11.129 -7.347 681 HB1 ALA 79 3HB ALA 79 -0.480 -11.304 -5.208 682 HB2 ALA 79 1HB ALA 79 -1.112 -9.982 -6.187 683 HB3 ALA 79 2HB ALA 79 -0.059 -9.634 -4.815 684 H LEU 80 H LEU 80 3.254 -9.543 -7.331 685 HA LEU 80 HA LEU 80 3.061 -6.820 -7.537 686 HB2 LEU 80 2HB LEU 80 4.477 -8.608 -9.549 687 HB3 LEU 80 1HB LEU 80 4.801 -6.900 -9.303 688 HG LEU 80 HG LEU 80 5.373 -9.149 -7.331 689 HD11 LEU 80 1HD1 LEU 80 7.732 -8.559 -7.691 690 HD12 LEU 80 2HD1 LEU 80 7.261 -7.359 -8.897 691 HD13 LEU 80 3HD1 LEU 80 6.958 -9.074 -9.190 692 HD21 LEU 80 3HD2 LEU 80 6.422 -7.421 -5.904 693 HD22 LEU 80 1HD2 LEU 80 4.686 -7.173 -6.085 694 HD23 LEU 80 2HD2 LEU 80 5.816 -6.166 -6.988 695 H GLY 81 H GLY 81 1.587 -5.538 -8.499 696 HA2 GLY 81 2HA GLY 81 0.776 -4.585 -10.608 697 HA3 GLY 81 1HA GLY 81 0.491 -6.223 -11.190 698 H ASP 82 H ASP 82 -0.465 -6.662 -8.229 699 HA ASP 82 HA ASP 82 -3.268 -6.536 -8.866 700 HB2 ASP 82 2HB ASP 82 -2.495 -8.496 -7.729 701 HB3 ASP 82 1HB ASP 82 -1.660 -7.563 -6.500 702 H TYR 83 H TYR 83 -4.901 -5.649 -7.380 703 HA TYR 83 HA TYR 83 -4.170 -2.906 -6.587 704 HB2 TYR 83 2HB TYR 83 -6.823 -4.161 -7.399 705 HB3 TYR 83 1HB TYR 83 -6.682 -2.522 -6.761 706 HD1 TYR 83 HD1 TYR 83 -5.279 -4.695 -9.512 707 HD2 TYR 83 HD2 TYR 83 -6.348 -0.738 -8.291 708 HE1 TYR 83 HE1 TYR 83 -4.762 -3.863 -11.762 709 HE2 TYR 83 HE2 TYR 83 -5.828 0.091 -10.551 710 HH TYR 83 HH TYR 83 -5.278 -2.010 -13.212 711 H VAL 84 H VAL 84 -4.182 -2.355 -4.538 712 HA VAL 84 HA VAL 84 -5.385 -4.059 -2.456 713 HB VAL 84 HB VAL 84 -3.949 -2.945 -0.849 714 HG11 VAL 84 1HG1 VAL 84 -2.331 -3.589 -3.345 715 HG12 VAL 84 2HG1 VAL 84 -2.865 -4.738 -2.117 716 HG13 VAL 84 3HG1 VAL 84 -1.685 -3.494 -1.701 717 HG21 VAL 84 3HG2 VAL 84 -2.378 -1.123 -1.454 718 HG22 VAL 84 1HG2 VAL 84 -4.061 -0.640 -1.680 719 HG23 VAL 84 2HG2 VAL 84 -3.072 -1.068 -3.077 720 H GLU 85 H GLU 85 -6.565 -2.971 -0.748 721 HA GLU 85 HA GLU 85 -8.126 -0.640 -1.695 722 HB2 GLU 85 2HB GLU 85 -8.764 -2.628 0.532 723 HB3 GLU 85 1HB GLU 85 -9.830 -1.373 -0.095 724 HG2 GLU 85 2HG GLU 85 -9.840 -2.530 -2.309 725 HG3 GLU 85 1HG GLU 85 -8.837 -3.799 -1.617 726 H ILE 86 H ILE 86 -7.149 1.184 -0.961 727 HA ILE 86 HA ILE 86 -6.088 1.390 1.748 728 HB ILE 86 HB ILE 86 -6.335 3.512 -0.440 729 HG12 ILE 86 2HG1 ILE 86 -3.893 1.942 0.532 730 HG13 ILE 86 1HG1 ILE 86 -4.749 1.643 -0.975 731 HG21 ILE 86 1HG2 ILE 86 -6.348 4.545 1.805 732 HG22 ILE 86 2HG2 ILE 86 -4.827 4.887 0.978 733 HG23 ILE 86 3HG2 ILE 86 -4.887 3.652 2.237 734 HD11 ILE 86 3HD1 ILE 86 -4.096 3.874 -1.765 735 HD12 ILE 86 1HD1 ILE 86 -2.719 2.842 -1.385 736 HD13 ILE 86 2HD1 ILE 86 -3.189 4.122 -0.269 737 H VAL 87 H VAL 87 -7.769 1.140 3.062 738 HA VAL 87 HA VAL 87 -10.301 2.556 2.717 739 HB VAL 87 HB VAL 87 -9.430 0.648 4.947 740 HG11 VAL 87 1HG1 VAL 87 -11.407 2.009 5.518 741 HG12 VAL 87 2HG1 VAL 87 -11.833 0.307 5.334 742 HG13 VAL 87 3HG1 VAL 87 -12.225 1.457 4.052 743 HG21 VAL 87 3HG2 VAL 87 -9.224 -0.487 2.772 744 HG22 VAL 87 1HG2 VAL 87 -10.888 -0.056 2.367 745 HG23 VAL 87 2HG2 VAL 87 -10.559 -1.159 3.706 746 H LEU 88 H LEU 88 -10.849 4.362 3.901 747 HA LEU 88 HA LEU 88 -9.057 5.681 5.681 748 HB2 LEU 88 2HB LEU 88 -10.992 6.712 4.347 749 HB3 LEU 88 1HB LEU 88 -12.093 6.003 5.508 750 HG LEU 88 HG LEU 88 -11.678 8.454 5.867 751 HD11 LEU 88 1HD1 LEU 88 -10.734 6.793 8.224 752 HD12 LEU 88 2HD1 LEU 88 -12.413 7.127 7.797 753 HD13 LEU 88 3HD1 LEU 88 -11.355 8.447 8.283 754 HD21 LEU 88 3HD2 LEU 88 -8.841 7.613 6.518 755 HD22 LEU 88 1HD2 LEU 88 -9.519 9.225 6.774 756 HD23 LEU 88 2HD2 LEU 88 -9.366 8.584 5.141 757 H GLU 89 H GLU 89 -8.432 4.595 7.507 758 HA GLU 89 HA GLU 89 -10.265 2.917 9.019 759 HB2 GLU 89 2HB GLU 89 -7.810 2.341 8.720 760 HB3 GLU 89 1HB GLU 89 -7.404 3.737 9.713 761 HG2 GLU 89 2HG GLU 89 -8.729 2.730 11.587 762 HG3 GLU 89 1HG GLU 89 -8.983 1.294 10.597 763 H HIS 90 H HIS 90 -11.607 3.778 10.488 764 HA HIS 90 HA HIS 90 -11.484 6.487 11.393 765 HB2 HIS 90 2HB HIS 90 -13.648 5.309 11.116 766 HB3 HIS 90 1HB HIS 90 -13.206 4.155 12.368 767 HD1 HIS 90 HD1 HIS 90 -14.405 7.670 11.870 768 HD2 HIS 90 HD2 HIS 90 -13.513 5.108 15.021 769 HE1 HIS 90 HE1 HIS 90 -15.242 8.817 13.939 770 HE2 HIS 90 HE2 HIS 90 -14.810 7.193 15.793 771 H HIS 91 H HIS 91 -9.531 6.788 12.453 772 HA HIS 91 HA HIS 91 -8.874 5.351 14.884 773 HB2 HIS 91 2HB HIS 91 -7.051 6.319 13.529 774 HB3 HIS 91 1HB HIS 91 -7.728 7.934 13.709 775 HD1 HIS 91 HD1 HIS 91 -7.503 9.050 16.077 776 HD2 HIS 91 HD2 HIS 91 -5.489 5.434 15.689 777 HE1 HIS 91 HE1 HIS 91 -5.905 8.957 18.007 778 HE2 HIS 91 HE2 HIS 91 -4.645 6.810 17.707 Start of MODEL 14 1 H1 MET 1 1H MET 1 -16.813 4.497 0.907 2 H2 MET 1 2H MET 1 -15.722 4.004 2.099 3 H3 MET 1 3H MET 1 -15.921 3.073 0.706 4 HA MET 1 HA MET 1 -15.032 4.815 -0.650 5 HB2 MET 1 2HB MET 1 -14.641 6.271 1.999 6 HB3 MET 1 1HB MET 1 -13.958 6.802 0.466 7 HG2 MET 1 2HG MET 1 -16.232 7.082 -0.444 8 HG3 MET 1 1HG MET 1 -16.907 6.549 1.096 9 HE1 MET 1 3HE MET 1 -17.706 9.304 -0.360 10 HE2 MET 1 1HE MET 1 -17.731 10.390 1.022 11 HE3 MET 1 2HE MET 1 -18.404 8.768 1.172 12 H ARG 2 H ARG 2 -13.691 3.191 -1.143 13 HA ARG 2 HA ARG 2 -11.218 2.797 0.448 14 HB2 ARG 2 2HB ARG 2 -12.716 0.903 -1.419 15 HB3 ARG 2 1HB ARG 2 -11.060 0.599 -0.898 16 HG2 ARG 2 2HG ARG 2 -11.711 0.290 1.371 17 HG3 ARG 2 1HG ARG 2 -13.309 0.983 1.093 18 HD2 ARG 2 2HD ARG 2 -12.370 -1.610 -0.186 19 HD3 ARG 2 1HD ARG 2 -13.270 -1.532 1.335 20 HE ARG 2 HE ARG 2 -14.802 -0.087 -0.381 21 HH11 ARG 2 1HH1 ARG 2 -13.547 -3.382 -0.560 22 HH12 ARG 2 2HH1 ARG 2 -14.880 -3.945 -1.518 23 HH21 ARG 2 1HH2 ARG 2 -16.529 -0.859 -1.617 24 HH22 ARG 2 2HH2 ARG 2 -16.560 -2.521 -2.113 25 H ILE 3 H ILE 3 -9.330 3.275 -0.573 26 HA ILE 3 HA ILE 3 -9.451 4.539 -3.230 27 HB ILE 3 HB ILE 3 -7.266 4.600 -1.077 28 HG12 ILE 3 2HG1 ILE 3 -9.317 6.711 -1.902 29 HG13 ILE 3 1HG1 ILE 3 -9.321 5.804 -0.398 30 HG21 ILE 3 1HG2 ILE 3 -6.185 6.376 -2.419 31 HG22 ILE 3 2HG2 ILE 3 -7.393 6.163 -3.687 32 HG23 ILE 3 3HG2 ILE 3 -6.267 4.856 -3.316 33 HD11 ILE 3 3HD1 ILE 3 -7.258 6.926 0.282 34 HD12 ILE 3 1HD1 ILE 3 -8.558 8.068 -0.057 35 HD13 ILE 3 2HD1 ILE 3 -7.259 7.845 -1.226 36 H LYS 4 H LYS 4 -8.236 3.760 -4.950 37 HA LYS 4 HA LYS 4 -7.635 0.898 -4.793 38 HB2 LYS 4 2HB LYS 4 -9.144 1.614 -6.540 39 HB3 LYS 4 1HB LYS 4 -8.027 2.862 -7.078 40 HG2 LYS 4 2HG LYS 4 -6.457 1.088 -7.848 41 HG3 LYS 4 1HG LYS 4 -7.632 -0.131 -7.350 42 HD2 LYS 4 2HD LYS 4 -7.847 0.192 -9.739 43 HD3 LYS 4 1HD LYS 4 -9.280 0.862 -8.964 44 HE2 LYS 4 2HE LYS 4 -6.910 2.554 -9.839 45 HE3 LYS 4 1HE LYS 4 -8.312 2.243 -10.856 46 HZ1 LYS 4 3HZ LYS 4 -8.285 3.723 -8.275 47 HZ2 LYS 4 1HZ LYS 4 -9.698 3.276 -9.098 48 HZ3 LYS 4 2HZ LYS 4 -8.603 4.336 -9.814 49 H GLY 5 H GLY 5 -5.622 0.122 -4.758 50 HA2 GLY 5 2HA GLY 5 -3.331 1.798 -5.642 51 HA3 GLY 5 1HA GLY 5 -3.308 0.902 -4.125 52 H VAL 6 H VAL 6 -1.295 0.360 -5.726 53 HA VAL 6 HA VAL 6 -1.779 -2.378 -6.707 54 HB VAL 6 HB VAL 6 -0.421 -0.151 -8.309 55 HG11 VAL 6 1HG1 VAL 6 1.130 -2.057 -8.362 56 HG12 VAL 6 2HG1 VAL 6 0.361 -1.843 -9.934 57 HG13 VAL 6 3HG1 VAL 6 -0.181 -3.131 -8.854 58 HG21 VAL 6 3HG2 VAL 6 -1.913 -0.878 -10.124 59 HG22 VAL 6 1HG2 VAL 6 -2.839 -0.447 -8.683 60 HG23 VAL 6 2HG2 VAL 6 -2.577 -2.144 -9.088 61 H VAL 7 H VAL 7 -0.271 -3.747 -5.980 62 HA VAL 7 HA VAL 7 1.826 -3.018 -4.212 63 HB VAL 7 HB VAL 7 1.340 -5.676 -5.643 64 HG11 VAL 7 1HG1 VAL 7 2.948 -5.135 -3.121 65 HG12 VAL 7 2HG1 VAL 7 3.607 -5.557 -4.702 66 HG13 VAL 7 3HG1 VAL 7 2.619 -6.721 -3.818 67 HG21 VAL 7 3HG2 VAL 7 0.323 -4.761 -2.928 68 HG22 VAL 7 1HG2 VAL 7 0.128 -6.378 -3.607 69 HG23 VAL 7 2HG2 VAL 7 -0.648 -4.994 -4.384 70 H LEU 8 H LEU 8 3.533 -1.892 -4.992 71 HA LEU 8 HA LEU 8 4.742 -2.322 -7.595 72 HB2 LEU 8 2HB LEU 8 5.734 -0.663 -5.237 73 HB3 LEU 8 1HB LEU 8 6.397 -0.617 -6.865 74 HG LEU 8 HG LEU 8 3.613 0.293 -6.045 75 HD11 LEU 8 1HD1 LEU 8 5.329 1.841 -5.286 76 HD12 LEU 8 2HD1 LEU 8 4.403 2.554 -6.597 77 HD13 LEU 8 3HD1 LEU 8 6.024 1.923 -6.903 78 HD21 LEU 8 3HD2 LEU 8 3.399 1.128 -8.360 79 HD22 LEU 8 1HD2 LEU 8 3.522 -0.629 -8.283 80 HD23 LEU 8 2HD2 LEU 8 4.916 0.331 -8.784 81 H SER 9 H SER 9 5.777 -2.744 -4.193 82 HA SER 9 HA SER 9 7.458 -5.016 -4.800 83 HB2 SER 9 2HB SER 9 9.596 -3.914 -4.043 84 HB3 SER 9 1HB SER 9 8.977 -3.243 -5.551 85 HG SER 9 HG SER 9 8.152 -1.486 -4.372 86 H TYR 10 H TYR 10 8.751 -5.675 -2.778 87 HA TYR 10 HA TYR 10 7.423 -4.867 -0.248 88 HB2 TYR 10 2HB TYR 10 8.737 -7.592 -0.662 89 HB3 TYR 10 1HB TYR 10 7.641 -7.101 0.620 90 HD1 TYR 10 HD2 TYR 10 5.133 -6.755 0.004 91 HD2 TYR 10 HD1 TYR 10 7.933 -8.663 -2.608 92 HE1 TYR 10 HE2 TYR 10 3.283 -7.814 -1.234 93 HE2 TYR 10 HE1 TYR 10 6.085 -9.713 -3.831 94 HH TYR 10 HH TYR 10 3.752 -10.344 -3.467 95 H ARG 11 H ARG 11 8.856 -4.768 1.602 96 HA ARG 11 HA ARG 11 11.655 -5.587 1.177 97 HB2 ARG 11 2HB ARG 11 11.613 -3.080 1.176 98 HB3 ARG 11 1HB ARG 11 10.836 -3.107 2.758 99 HG2 ARG 11 2HG ARG 11 12.858 -4.354 3.640 100 HG3 ARG 11 1HG ARG 11 13.634 -4.078 2.079 101 HD2 ARG 11 2HD ARG 11 14.379 -2.424 3.703 102 HD3 ARG 11 1HD ARG 11 13.435 -1.640 2.433 103 HE ARG 11 HE ARG 11 11.872 -2.378 4.741 104 HH11 ARG 11 1HH1 ARG 11 13.939 0.142 3.403 105 HH12 ARG 11 2HH1 ARG 11 13.277 1.384 4.413 106 HH21 ARG 11 1HH2 ARG 11 11.030 -0.754 6.075 107 HH22 ARG 11 2HH2 ARG 11 11.620 0.872 5.933 108 H ARG 12 H ARG 12 11.796 -7.347 2.405 109 HA ARG 12 HA ARG 12 10.028 -7.667 4.725 110 HB2 ARG 12 2HB ARG 12 10.511 -10.107 4.477 111 HB3 ARG 12 1HB ARG 12 9.790 -9.383 3.046 112 HG2 ARG 12 2HG ARG 12 12.060 -9.260 2.012 113 HG3 ARG 12 1HG ARG 12 12.707 -10.118 3.410 114 HD2 ARG 12 2HD ARG 12 11.341 -12.069 2.891 115 HD3 ARG 12 1HD ARG 12 10.551 -11.203 1.566 116 HE ARG 12 HE ARG 12 13.039 -11.025 0.739 117 HH11 ARG 12 1HH1 ARG 12 11.506 -13.852 2.158 118 HH12 ARG 12 2HH1 ARG 12 12.505 -14.971 1.286 119 HH21 ARG 12 1HH2 ARG 12 14.316 -12.497 -0.411 120 HH22 ARG 12 2HH2 ARG 12 14.094 -14.205 -0.169 121 H SER 13 H SER 13 10.722 -7.745 6.714 122 HA SER 13 HA SER 13 13.535 -7.570 7.402 123 HB2 SER 13 2HB SER 13 11.840 -6.190 8.588 124 HB3 SER 13 1HB SER 13 11.027 -7.650 9.140 125 HG SER 13 HG SER 13 12.293 -7.355 10.802 126 H LYS 14 H LYS 14 14.656 -9.452 7.326 127 HA LYS 14 HA LYS 14 13.404 -12.049 7.684 128 HB2 LYS 14 2HB LYS 14 15.549 -12.980 7.037 129 HB3 LYS 14 1HB LYS 14 15.171 -11.636 5.970 130 HG2 LYS 14 2HG LYS 14 16.684 -10.184 7.392 131 HG3 LYS 14 1HG LYS 14 17.154 -11.644 8.261 132 HD2 LYS 14 2HD LYS 14 18.824 -11.131 6.567 133 HD3 LYS 14 1HD LYS 14 17.986 -12.623 6.131 134 HE2 LYS 14 2HE LYS 14 18.334 -11.138 4.178 135 HE3 LYS 14 1HE LYS 14 16.620 -11.405 4.498 136 HZ1 LYS 14 3HZ LYS 14 16.546 -9.235 5.609 137 HZ2 LYS 14 1HZ LYS 14 17.070 -9.076 4.011 138 HZ3 LYS 14 2HZ LYS 14 18.182 -8.990 5.276 139 H GLU 15 H GLU 15 14.895 -9.778 9.729 140 HA GLU 15 HA GLU 15 15.721 -11.592 11.847 141 HB2 GLU 15 2HB GLU 15 16.150 -9.492 13.128 142 HB3 GLU 15 1HB GLU 15 16.943 -9.502 11.556 143 HG2 GLU 15 2HG GLU 15 15.058 -8.105 10.662 144 HG3 GLU 15 1HG GLU 15 14.417 -8.008 12.299 145 H ASN 16 H ASN 16 12.798 -10.306 10.774 146 HA ASN 16 HA ASN 16 11.171 -11.316 12.865 147 HB2 ASN 16 2HB ASN 16 11.978 -9.371 14.134 148 HB3 ASN 16 1HB ASN 16 11.600 -8.294 12.795 149 HD21 ASN 16 1HD2 ASN 16 10.199 -6.996 13.914 150 HD22 ASN 16 2HD2 ASN 16 8.677 -7.525 14.530 151 H GLN 17 H GLN 17 9.919 -12.196 11.196 152 HA GLN 17 HA GLN 17 9.110 -10.568 8.923 153 HB2 GLN 17 2HB GLN 17 9.775 -13.033 8.763 154 HB3 GLN 17 1HB GLN 17 8.226 -13.420 9.504 155 HG2 GLN 17 2HG GLN 17 7.071 -12.306 7.593 156 HG3 GLN 17 1HG GLN 17 8.643 -11.991 6.859 157 HE21 GLN 17 1HE2 GLN 17 9.816 -13.737 5.980 158 HE22 GLN 17 2HE2 GLN 17 9.059 -15.249 5.623 159 H HIS 18 H HIS 18 8.153 -9.196 10.686 160 HA HIS 18 HA HIS 18 5.229 -9.399 10.624 161 HB2 HIS 18 2HB HIS 18 6.893 -8.709 13.106 162 HB3 HIS 18 1HB HIS 18 5.171 -8.382 12.970 163 HD1 HIS 18 HD1 HIS 18 3.666 -10.160 13.839 164 HD2 HIS 18 HD2 HIS 18 7.489 -11.613 13.087 165 HE1 HIS 18 HE1 HIS 18 3.691 -12.501 14.732 166 HE2 HIS 18 HE2 HIS 18 5.951 -13.404 14.128 167 H ASN 19 H ASN 19 4.293 -7.260 10.558 168 HA ASN 19 HA ASN 19 4.117 -5.082 9.952 169 HB2 ASN 19 2HB ASN 19 6.805 -4.798 11.364 170 HB3 ASN 19 1HB ASN 19 5.767 -3.453 10.899 171 HD21 ASN 19 1HD2 ASN 19 3.802 -3.153 12.018 172 HD22 ASN 19 2HD2 ASN 19 3.519 -3.840 13.574 173 H ASN 20 H ASN 20 5.234 -6.937 8.080 174 HA ASN 20 HA ASN 20 7.579 -6.144 6.764 175 HB2 ASN 20 2HB ASN 20 6.568 -8.353 6.353 176 HB3 ASN 20 1HB ASN 20 5.142 -7.602 5.642 177 HD21 ASN 20 1HD2 ASN 20 5.328 -8.455 3.556 178 HD22 ASN 20 2HD2 ASN 20 6.659 -8.154 2.511 179 H VAL 21 H VAL 21 7.968 -4.907 4.905 180 HA VAL 21 HA VAL 21 6.145 -2.649 4.535 181 HB VAL 21 HB VAL 21 8.971 -3.157 3.479 182 HG11 VAL 21 1HG1 VAL 21 7.234 -0.681 3.237 183 HG12 VAL 21 2HG1 VAL 21 7.805 -1.700 1.910 184 HG13 VAL 21 3HG1 VAL 21 8.956 -0.739 2.844 185 HG21 VAL 21 3HG2 VAL 21 7.990 -1.301 5.668 186 HG22 VAL 21 1HG2 VAL 21 9.659 -1.459 5.116 187 HG23 VAL 21 2HG2 VAL 21 8.860 -2.816 5.917 188 H MET 22 H MET 22 4.889 -2.422 2.813 189 HA MET 22 HA MET 22 5.559 -3.730 0.256 190 HB2 MET 22 2HB MET 22 3.613 -4.891 1.270 191 HB3 MET 22 1HB MET 22 2.769 -3.359 1.449 192 HG2 MET 22 2HG MET 22 2.777 -3.114 -1.031 193 HG3 MET 22 1HG MET 22 3.523 -4.707 -1.164 194 HE1 MET 22 3HE MET 22 2.263 -6.966 -0.216 195 HE2 MET 22 1HE MET 22 0.638 -6.919 0.458 196 HE3 MET 22 2HE MET 22 1.966 -6.156 1.325 197 H ILE 23 H ILE 23 6.215 -2.084 -0.963 198 HA ILE 23 HA ILE 23 5.234 0.619 -0.686 199 HB ILE 23 HB ILE 23 7.009 -0.609 -2.851 200 HG12 ILE 23 2HG1 ILE 23 8.075 -0.748 -0.629 201 HG13 ILE 23 1HG1 ILE 23 8.902 0.447 -1.621 202 HG21 ILE 23 1HG2 ILE 23 7.653 1.714 -3.404 203 HG22 ILE 23 2HG2 ILE 23 6.485 2.323 -2.230 204 HG23 ILE 23 3HG2 ILE 23 5.925 1.444 -3.652 205 HD11 ILE 23 3HD1 ILE 23 7.712 2.240 -0.409 206 HD12 ILE 23 1HD1 ILE 23 8.689 1.224 0.652 207 HD13 ILE 23 2HD1 ILE 23 6.941 1.014 0.602 208 H ILE 24 H ILE 24 3.285 1.097 -1.372 209 HA ILE 24 HA ILE 24 2.036 -0.288 -3.676 210 HB ILE 24 HB ILE 24 0.763 1.158 -1.300 211 HG12 ILE 24 2HG1 ILE 24 0.761 -1.819 -1.975 212 HG13 ILE 24 1HG1 ILE 24 1.785 -1.070 -0.756 213 HG21 ILE 24 1HG2 ILE 24 -0.618 -0.298 -3.583 214 HG22 ILE 24 2HG2 ILE 24 -0.621 1.447 -3.314 215 HG23 ILE 24 3HG2 ILE 24 -1.417 0.374 -2.161 216 HD11 ILE 24 3HD1 ILE 24 -0.214 -0.414 0.503 217 HD12 ILE 24 1HD1 ILE 24 -0.089 -2.157 0.271 218 HD13 ILE 24 2HD1 ILE 24 -1.224 -1.222 -0.700 219 H LYS 25 H LYS 25 1.523 0.962 -5.437 220 HA LYS 25 HA LYS 25 1.568 3.891 -5.275 221 HB2 LYS 25 2HB LYS 25 2.698 2.850 -7.207 222 HB3 LYS 25 1HB LYS 25 1.223 1.994 -7.638 223 HG2 LYS 25 2HG LYS 25 0.134 4.267 -7.991 224 HG3 LYS 25 1HG LYS 25 1.741 4.979 -7.799 225 HD2 LYS 25 2HD LYS 25 2.548 3.617 -9.726 226 HD3 LYS 25 1HD LYS 25 0.927 2.944 -9.912 227 HE2 LYS 25 2HE LYS 25 0.052 5.196 -10.387 228 HE3 LYS 25 1HE LYS 25 1.680 5.861 -10.210 229 HZ1 LYS 25 3HZ LYS 25 0.861 3.848 -12.227 230 HZ2 LYS 25 1HZ LYS 25 2.406 4.511 -12.068 231 HZ3 LYS 25 2HZ LYS 25 1.111 5.491 -12.524 232 HA PRO 26 HA PRO 26 -3.025 3.452 -4.967 233 HB2 PRO 26 2HB PRO 26 -2.991 6.252 -4.051 234 HB3 PRO 26 1HB PRO 26 -3.553 4.818 -3.175 235 HG2 PRO 26 2HG PRO 26 -1.308 6.221 -2.481 236 HG3 PRO 26 1HG PRO 26 -1.539 4.496 -2.121 237 HD2 PRO 26 2HD PRO 26 0.086 5.771 -4.305 238 HD3 PRO 26 1HD PRO 26 0.430 4.318 -3.337 239 H LEU 27 H LEU 27 -3.767 3.587 -7.020 240 HA LEU 27 HA LEU 27 -2.527 5.070 -9.062 241 HB2 LEU 27 2HB LEU 27 -5.255 3.736 -9.086 242 HB3 LEU 27 1HB LEU 27 -4.343 4.228 -10.509 243 HG LEU 27 HG LEU 27 -3.543 2.058 -8.530 244 HD11 LEU 27 1HD1 LEU 27 -5.337 1.347 -9.977 245 HD12 LEU 27 2HD1 LEU 27 -3.847 0.535 -10.446 246 HD13 LEU 27 3HD1 LEU 27 -4.458 1.884 -11.408 247 HD21 LEU 27 3HD2 LEU 27 -1.653 1.575 -10.037 248 HD22 LEU 27 1HD2 LEU 27 -1.526 3.183 -9.321 249 HD23 LEU 27 2HD2 LEU 27 -2.045 3.002 -10.998 250 H ASP 28 H ASP 28 -5.278 5.809 -7.053 251 HA ASP 28 HA ASP 28 -6.292 8.048 -8.497 252 HB2 ASP 28 2HB ASP 28 -6.494 7.357 -5.525 253 HB3 ASP 28 1HB ASP 28 -7.479 8.559 -6.349 254 H VAL 29 H VAL 29 -3.656 7.621 -6.287 255 HA VAL 29 HA VAL 29 -3.156 10.499 -5.878 256 HB VAL 29 HB VAL 29 -1.867 8.030 -4.598 257 HG11 VAL 29 1HG1 VAL 29 -0.298 9.898 -4.585 258 HG12 VAL 29 2HG1 VAL 29 -0.890 9.592 -2.952 259 HG13 VAL 29 3HG1 VAL 29 -1.520 10.955 -3.878 260 HG21 VAL 29 3HG2 VAL 29 -4.226 8.272 -3.944 261 HG22 VAL 29 1HG2 VAL 29 -3.929 9.938 -3.437 262 HG23 VAL 29 2HG2 VAL 29 -3.156 8.601 -2.579 263 H ASN 30 H ASN 30 -1.220 11.443 -6.591 264 HA ASN 30 HA ASN 30 0.924 9.939 -7.780 265 HB2 ASN 30 2HB ASN 30 -0.958 10.203 -9.599 266 HB3 ASN 30 1HB ASN 30 -0.471 11.890 -9.658 267 HD21 ASN 30 1HD2 ASN 30 -0.286 9.536 -11.591 268 HD22 ASN 30 2HD2 ASN 30 1.347 9.591 -12.150 269 H SER 31 H SER 31 0.484 11.822 -5.578 270 HA SER 31 HA SER 31 2.865 13.433 -6.100 271 HB2 SER 31 2HB SER 31 0.268 14.692 -5.084 272 HB3 SER 31 1HB SER 31 1.834 15.503 -5.099 273 HG SER 31 HG SER 31 1.588 14.713 -7.520 274 H ARG 32 H ARG 32 4.148 13.680 -4.300 275 HA ARG 32 HA ARG 32 3.827 11.989 -2.057 276 HB2 ARG 32 2HB ARG 32 6.050 12.685 -2.739 277 HB3 ARG 32 1HB ARG 32 5.663 14.382 -2.497 278 HG2 ARG 32 2HG ARG 32 5.507 13.992 -0.062 279 HG3 ARG 32 1HG ARG 32 5.874 12.284 -0.301 280 HD2 ARG 32 2HD ARG 32 8.106 12.866 -1.150 281 HD3 ARG 32 1HD ARG 32 7.723 14.587 -1.009 282 HE ARG 32 HE ARG 32 7.313 13.758 1.499 283 HH11 ARG 32 1HH1 ARG 32 10.040 13.176 -0.639 284 HH12 ARG 32 2HH1 ARG 32 11.189 13.066 0.652 285 HH21 ARG 32 1HH2 ARG 32 8.825 13.628 3.192 286 HH22 ARG 32 2HH2 ARG 32 10.496 13.323 2.826 287 H GLU 33 H GLU 33 3.045 15.394 -2.605 288 HA GLU 33 HA GLU 33 2.464 16.342 -0.067 289 HB2 GLU 33 2HB GLU 33 0.951 16.858 -2.668 290 HB3 GLU 33 1HB GLU 33 0.766 17.828 -1.210 291 HG2 GLU 33 2HG GLU 33 3.081 18.564 -1.352 292 HG3 GLU 33 1HG GLU 33 3.369 17.498 -2.723 293 H GLU 34 H GLU 34 0.278 14.660 -2.318 294 HA GLU 34 HA GLU 34 -1.980 14.367 -0.678 295 HB2 GLU 34 2HB GLU 34 -1.055 12.515 -2.921 296 HB3 GLU 34 1HB GLU 34 -2.682 12.587 -2.252 297 HG2 GLU 34 2HG GLU 34 -2.948 14.878 -3.096 298 HG3 GLU 34 1HG GLU 34 -1.302 14.837 -3.737 299 H ALA 35 H ALA 35 0.676 12.091 -1.374 300 HA ALA 35 HA ALA 35 -0.142 9.923 0.169 301 HB1 ALA 35 3HB ALA 35 2.697 10.777 -0.505 302 HB2 ALA 35 1HB ALA 35 1.646 9.793 -1.517 303 HB3 ALA 35 2HB ALA 35 2.212 9.168 0.038 304 H SER 36 H SER 36 1.627 12.823 1.135 305 HA SER 36 HA SER 36 2.546 11.827 3.682 306 HB2 SER 36 2HB SER 36 3.818 13.526 2.330 307 HB3 SER 36 1HB SER 36 2.557 14.713 2.670 308 HG SER 36 HG SER 36 3.030 14.301 4.943 309 H LYS 37 H LYS 37 -0.189 13.730 2.520 310 HA LYS 37 HA LYS 37 -1.187 14.135 5.260 311 HB2 LYS 37 2HB LYS 37 -2.922 15.526 4.241 312 HB3 LYS 37 1HB LYS 37 -1.331 16.028 3.693 313 HG2 LYS 37 2HG LYS 37 -1.805 14.586 1.599 314 HG3 LYS 37 1HG LYS 37 -3.484 14.590 2.131 315 HD2 LYS 37 2HD LYS 37 -1.802 17.039 1.460 316 HD3 LYS 37 1HD LYS 37 -3.069 16.342 0.453 317 HE2 LYS 37 2HE LYS 37 -3.489 17.572 3.196 318 HE3 LYS 37 1HE LYS 37 -3.857 18.340 1.653 319 HZ1 LYS 37 3HZ LYS 37 -5.415 16.509 1.206 320 HZ2 LYS 37 1HZ LYS 37 -5.844 17.424 2.556 321 HZ3 LYS 37 2HZ LYS 37 -5.136 15.904 2.755 322 H LEU 38 H LEU 38 -1.144 11.645 3.168 323 HA LEU 38 HA LEU 38 -3.753 10.516 4.034 324 HB2 LEU 38 2HB LEU 38 -1.995 9.993 1.614 325 HB3 LEU 38 1HB LEU 38 -3.214 8.838 2.117 326 HG LEU 38 HG LEU 38 -3.758 11.697 1.242 327 HD11 LEU 38 1HD1 LEU 38 -4.769 10.655 -0.758 328 HD12 LEU 38 2HD1 LEU 38 -4.228 9.066 -0.204 329 HD13 LEU 38 3HD1 LEU 38 -3.045 10.306 -0.622 330 HD21 LEU 38 3HD2 LEU 38 -6.135 11.095 1.321 331 HD22 LEU 38 1HD2 LEU 38 -5.391 10.951 2.913 332 HD23 LEU 38 2HD2 LEU 38 -5.730 9.501 1.964 333 H ILE 39 H ILE 39 -1.055 10.664 5.453 334 HA ILE 39 HA ILE 39 -0.273 7.888 5.774 335 HB ILE 39 HB ILE 39 0.414 10.330 7.483 336 HG12 ILE 39 2HG1 ILE 39 1.272 10.555 5.182 337 HG13 ILE 39 1HG1 ILE 39 2.599 10.321 6.311 338 HG21 ILE 39 1HG2 ILE 39 1.680 7.561 7.520 339 HG22 ILE 39 2HG2 ILE 39 0.687 8.276 8.793 340 HG23 ILE 39 3HG2 ILE 39 2.263 8.968 8.413 341 HD11 ILE 39 3HD1 ILE 39 2.987 9.090 4.288 342 HD12 ILE 39 1HD1 ILE 39 1.440 8.262 4.441 343 HD13 ILE 39 2HD1 ILE 39 2.728 7.951 5.608 344 H GLY 40 H GLY 40 -1.221 6.452 7.134 345 HA2 GLY 40 2HA GLY 40 -1.807 5.995 9.466 346 HA3 GLY 40 1HA GLY 40 -2.812 7.436 9.458 347 H ARG 41 H ARG 41 -3.502 6.366 6.528 348 HA ARG 41 HA ARG 41 -5.994 5.163 7.366 349 HB2 ARG 41 2HB ARG 41 -6.464 5.057 4.866 350 HB3 ARG 41 1HB ARG 41 -6.138 6.668 5.501 351 HG2 ARG 41 2HG ARG 41 -3.801 6.486 4.680 352 HG3 ARG 41 1HG ARG 41 -4.192 4.917 3.980 353 HD2 ARG 41 2HD ARG 41 -5.824 5.980 2.469 354 HD3 ARG 41 1HD ARG 41 -5.492 7.556 3.203 355 HE ARG 41 HE ARG 41 -3.092 7.116 2.439 356 HH11 ARG 41 1HH1 ARG 41 -5.847 5.974 0.579 357 HH12 ARG 41 2HH1 ARG 41 -4.996 6.011 -0.926 358 HH21 ARG 41 1HH2 ARG 41 -1.989 7.169 0.454 359 HH22 ARG 41 2HH2 ARG 41 -2.801 6.689 -1.000 360 H LEU 42 H LEU 42 -6.798 3.124 6.504 361 HA LEU 42 HA LEU 42 -4.857 0.996 7.003 362 HB2 LEU 42 2HB LEU 42 -7.007 1.093 8.267 363 HB3 LEU 42 1HB LEU 42 -7.893 0.968 6.757 364 HG LEU 42 HG LEU 42 -6.699 -1.320 6.445 365 HD11 LEU 42 1HD1 LEU 42 -4.976 -1.042 8.150 366 HD12 LEU 42 2HD1 LEU 42 -5.964 -2.466 8.457 367 HD13 LEU 42 3HD1 LEU 42 -6.211 -1.002 9.411 368 HD21 LEU 42 3HD2 LEU 42 -8.734 -1.039 8.659 369 HD22 LEU 42 1HD2 LEU 42 -8.380 -2.504 7.741 370 HD23 LEU 42 2HD2 LEU 42 -9.081 -1.106 6.929 371 H VAL 43 H VAL 43 -4.762 -0.878 5.624 372 HA VAL 43 HA VAL 43 -5.776 -0.631 2.865 373 HB VAL 43 HB VAL 43 -2.950 -1.616 3.544 374 HG11 VAL 43 1HG1 VAL 43 -4.250 -1.024 0.862 375 HG12 VAL 43 2HG1 VAL 43 -3.923 -2.627 1.529 376 HG13 VAL 43 3HG1 VAL 43 -2.586 -1.555 1.114 377 HG21 VAL 43 3HG2 VAL 43 -3.044 0.810 3.955 378 HG22 VAL 43 1HG2 VAL 43 -3.708 1.075 2.341 379 HG23 VAL 43 2HG2 VAL 43 -2.065 0.453 2.531 380 H LEU 44 H LEU 44 -6.361 -2.632 1.961 381 HA LEU 44 HA LEU 44 -6.054 -5.082 3.590 382 HB2 LEU 44 2HB LEU 44 -8.543 -4.226 2.046 383 HB3 LEU 44 1HB LEU 44 -8.333 -5.784 2.826 384 HG LEU 44 HG LEU 44 -8.562 -3.088 4.215 385 HD11 LEU 44 1HD1 LEU 44 -10.655 -3.967 5.136 386 HD12 LEU 44 2HD1 LEU 44 -10.453 -5.461 4.217 387 HD13 LEU 44 3HD1 LEU 44 -10.699 -3.930 3.373 388 HD21 LEU 44 3HD2 LEU 44 -8.507 -4.330 6.343 389 HD22 LEU 44 1HD2 LEU 44 -6.990 -4.472 5.453 390 HD23 LEU 44 2HD2 LEU 44 -8.132 -5.816 5.466 391 H TRP 45 H TRP 45 -4.868 -6.484 2.471 392 HA TRP 45 HA TRP 45 -5.192 -6.734 -0.461 393 HB2 TRP 45 2HB TRP 45 -3.072 -5.562 -0.038 394 HB3 TRP 45 1HB TRP 45 -2.578 -6.796 1.113 395 HD1 TRP 45 HD1 TRP 45 -3.399 -6.563 -2.699 396 HE1 TRP 45 HE1 TRP 45 -1.841 -8.177 -3.944 397 HE3 TRP 45 HE3 TRP 45 -1.056 -8.710 1.317 398 HZ2 TRP 45 HZ2 TRP 45 0.124 -10.095 -3.323 399 HZ3 TRP 45 HZ3 TRP 45 0.653 -10.435 0.901 400 HH2 TRP 45 HH2 TRP 45 1.225 -11.116 -1.371 401 H LYS 46 H LYS 46 -5.525 -8.778 -1.117 402 HA LYS 46 HA LYS 46 -5.693 -10.953 0.803 403 HB2 LYS 46 2HB LYS 46 -7.435 -10.530 -0.971 404 HB3 LYS 46 1HB LYS 46 -6.236 -10.914 -2.199 405 HG2 LYS 46 2HG LYS 46 -6.063 -13.220 -1.275 406 HG3 LYS 46 1HG LYS 46 -7.320 -12.822 -0.100 407 HD2 LYS 46 2HD LYS 46 -8.877 -12.328 -2.017 408 HD3 LYS 46 1HD LYS 46 -7.616 -12.869 -3.128 409 HE2 LYS 46 2HE LYS 46 -9.179 -14.678 -2.814 410 HE3 LYS 46 1HE LYS 46 -7.678 -15.114 -1.994 411 HZ1 LYS 46 3HZ LYS 46 -8.677 -14.451 0.107 412 HZ2 LYS 46 1HZ LYS 46 -9.624 -15.626 -0.651 413 HZ3 LYS 46 2HZ LYS 46 -10.105 -14.008 -0.673 414 H SER 47 H SER 47 -3.947 -12.181 1.217 415 HA SER 47 HA SER 47 -1.501 -12.163 -0.225 416 HB2 SER 47 2HB SER 47 -0.820 -13.942 1.373 417 HB3 SER 47 1HB SER 47 -1.650 -12.638 2.217 418 HG SER 47 HG SER 47 -3.241 -13.947 2.702 419 HA PRO 48 HA PRO 48 -2.062 -15.724 -3.098 420 HB2 PRO 48 2HB PRO 48 0.376 -17.031 -2.831 421 HB3 PRO 48 1HB PRO 48 0.140 -15.574 -3.816 422 HG2 PRO 48 2HG PRO 48 1.224 -15.789 -1.025 423 HG3 PRO 48 1HG PRO 48 1.823 -14.821 -2.390 424 HD2 PRO 48 2HD PRO 48 0.354 -13.701 -0.433 425 HD3 PRO 48 1HD PRO 48 0.175 -13.177 -2.123 426 H SER 49 H SER 49 -1.412 -16.030 0.276 427 HA SER 49 HA SER 49 -2.102 -18.844 0.522 428 HB2 SER 49 2HB SER 49 -0.460 -17.717 2.044 429 HB3 SER 49 1HB SER 49 -1.757 -16.704 2.670 430 HG SER 49 HG SER 49 -2.796 -18.683 3.344 431 H GLY 50 H GLY 50 -3.825 -15.923 0.144 432 HA2 GLY 50 2HA GLY 50 -6.127 -15.964 -0.413 433 HA3 GLY 50 1HA GLY 50 -6.368 -17.335 0.655 434 H LYS 51 H LYS 51 -4.659 -15.734 2.671 435 HA LYS 51 HA LYS 51 -6.901 -14.682 4.123 436 HB2 LYS 51 2HB LYS 51 -3.923 -14.796 4.734 437 HB3 LYS 51 1HB LYS 51 -5.122 -14.187 5.870 438 HG2 LYS 51 2HG LYS 51 -5.033 -16.997 4.754 439 HG3 LYS 51 1HG LYS 51 -4.466 -16.508 6.349 440 HD2 LYS 51 2HD LYS 51 -6.813 -15.774 6.891 441 HD3 LYS 51 1HD LYS 51 -7.333 -16.425 5.336 442 HE2 LYS 51 2HE LYS 51 -6.575 -18.681 6.048 443 HE3 LYS 51 1HE LYS 51 -6.093 -18.014 7.609 444 HZ1 LYS 51 3HZ LYS 51 -8.865 -18.041 6.529 445 HZ2 LYS 51 1HZ LYS 51 -8.406 -17.424 8.036 446 HZ3 LYS 51 2HZ LYS 51 -8.264 -19.081 7.717 447 H ILE 52 H ILE 52 -7.498 -12.622 4.354 448 HA ILE 52 HA ILE 52 -6.277 -10.523 2.774 449 HB ILE 52 HB ILE 52 -8.645 -10.383 4.702 450 HG12 ILE 52 2HG1 ILE 52 -8.572 -10.551 1.652 451 HG13 ILE 52 1HG1 ILE 52 -9.080 -11.835 2.740 452 HG21 ILE 52 1HG2 ILE 52 -7.663 -8.286 2.731 453 HG22 ILE 52 2HG2 ILE 52 -7.612 -8.165 4.493 454 HG23 ILE 52 3HG2 ILE 52 -9.163 -8.190 3.653 455 HD11 ILE 52 3HD1 ILE 52 -10.987 -10.786 1.716 456 HD12 ILE 52 1HD1 ILE 52 -10.496 -9.202 2.315 457 HD13 ILE 52 2HD1 ILE 52 -10.992 -10.463 3.448 458 H LEU 53 H LEU 53 -4.375 -9.910 3.543 459 HA LEU 53 HA LEU 53 -3.694 -9.543 6.310 460 HB2 LEU 53 2HB LEU 53 -2.221 -8.511 3.851 461 HB3 LEU 53 1HB LEU 53 -1.548 -8.785 5.451 462 HG LEU 53 HG LEU 53 -2.454 -10.912 3.476 463 HD11 LEU 53 1HD1 LEU 53 -0.333 -9.878 2.899 464 HD12 LEU 53 2HD1 LEU 53 -0.108 -11.552 3.397 465 HD13 LEU 53 3HD1 LEU 53 0.309 -10.240 4.505 466 HD21 LEU 53 3HD2 LEU 53 -2.998 -11.685 5.722 467 HD22 LEU 53 1HD2 LEU 53 -1.362 -11.315 6.282 468 HD23 LEU 53 2HD2 LEU 53 -1.628 -12.586 5.084 469 H LYS 54 H LYS 54 -3.793 -7.681 7.477 470 HA LYS 54 HA LYS 54 -4.863 -5.232 6.229 471 HB2 LYS 54 2HB LYS 54 -4.460 -5.882 9.185 472 HB3 LYS 54 1HB LYS 54 -5.252 -4.446 8.538 473 HG2 LYS 54 2HG LYS 54 -6.981 -5.959 7.499 474 HG3 LYS 54 1HG LYS 54 -6.226 -7.310 8.340 475 HD2 LYS 54 2HD LYS 54 -8.176 -6.537 9.588 476 HD3 LYS 54 1HD LYS 54 -6.710 -6.215 10.517 477 HE2 LYS 54 2HE LYS 54 -6.783 -3.849 9.785 478 HE3 LYS 54 1HE LYS 54 -8.251 -4.186 8.867 479 HZ1 LYS 54 3HZ LYS 54 -7.998 -4.504 11.812 480 HZ2 LYS 54 1HZ LYS 54 -9.406 -4.691 10.895 481 HZ3 LYS 54 2HZ LYS 54 -8.688 -3.168 11.041 482 H GLY 55 H GLY 55 -3.631 -3.476 5.961 483 HA2 GLY 55 2HA GLY 55 -0.971 -3.251 7.259 484 HA3 GLY 55 1HA GLY 55 -1.200 -2.937 5.536 485 H LYS 56 H LYS 56 -0.165 -0.949 7.103 486 HA LYS 56 HA LYS 56 -2.256 1.080 6.785 487 HB2 LYS 56 2HB LYS 56 -2.425 0.550 9.158 488 HB3 LYS 56 1HB LYS 56 -0.683 0.685 9.367 489 HG2 LYS 56 2HG LYS 56 -0.773 3.094 8.943 490 HG3 LYS 56 1HG LYS 56 -2.501 3.004 8.598 491 HD2 LYS 56 2HD LYS 56 -1.223 2.351 11.281 492 HD3 LYS 56 1HD LYS 56 -2.001 3.882 10.879 493 HE2 LYS 56 2HE LYS 56 -4.143 2.711 10.536 494 HE3 LYS 56 1HE LYS 56 -3.370 1.171 10.927 495 HZ1 LYS 56 3HZ LYS 56 -3.653 3.494 12.760 496 HZ2 LYS 56 1HZ LYS 56 -2.877 2.043 13.144 497 HZ3 LYS 56 2HZ LYS 56 -4.533 2.056 12.831 498 H ILE 57 H ILE 57 -1.515 2.882 5.963 499 HA ILE 57 HA ILE 57 1.132 3.023 4.890 500 HB ILE 57 HB ILE 57 -1.185 5.006 4.894 501 HG12 ILE 57 2HG1 ILE 57 -0.164 3.170 2.680 502 HG13 ILE 57 1HG1 ILE 57 -1.514 2.781 3.737 503 HG21 ILE 57 1HG2 ILE 57 -0.004 6.211 3.074 504 HG22 ILE 57 2HG2 ILE 57 1.395 5.158 3.282 505 HG23 ILE 57 3HG2 ILE 57 0.918 6.252 4.581 506 HD11 ILE 57 3HD1 ILE 57 -2.351 3.534 1.661 507 HD12 ILE 57 1HD1 ILE 57 -1.382 5.006 1.724 508 HD13 ILE 57 2HD1 ILE 57 -2.700 4.765 2.877 509 H VAL 58 H VAL 58 2.713 3.344 6.281 510 HA VAL 58 HA VAL 58 2.448 5.150 8.601 511 HB VAL 58 HB VAL 58 4.535 4.036 9.420 512 HG11 VAL 58 1HG1 VAL 58 3.531 1.832 9.924 513 HG12 VAL 58 2HG1 VAL 58 2.322 2.086 8.661 514 HG13 VAL 58 3HG1 VAL 58 2.344 3.129 10.084 515 HG21 VAL 58 3HG2 VAL 58 4.282 2.313 6.917 516 HG22 VAL 58 1HG2 VAL 58 5.437 2.057 8.231 517 HG23 VAL 58 2HG2 VAL 58 5.548 3.504 7.228 518 H ARG 59 H ARG 59 3.855 5.073 5.458 519 HA ARG 59 HA ARG 59 5.392 7.493 5.904 520 HB2 ARG 59 2HB ARG 59 6.810 5.314 6.529 521 HB3 ARG 59 1HB ARG 59 6.961 5.140 4.786 522 HG2 ARG 59 2HG ARG 59 8.917 6.267 5.656 523 HG3 ARG 59 1HG ARG 59 7.988 7.414 4.685 524 HD2 ARG 59 2HD ARG 59 7.032 8.389 6.747 525 HD3 ARG 59 1HD ARG 59 7.931 7.223 7.724 526 HE ARG 59 HE ARG 59 9.704 8.710 6.079 527 HH11 ARG 59 1HH1 ARG 59 7.703 9.094 8.966 528 HH12 ARG 59 2HH1 ARG 59 8.710 10.338 9.634 529 HH21 ARG 59 1HH2 ARG 59 11.027 10.339 6.996 530 HH22 ARG 59 2HH2 ARG 59 10.588 11.041 8.522 531 H VAL 60 H VAL 60 6.427 8.227 3.783 532 HA VAL 60 HA VAL 60 4.719 7.552 1.459 533 HB VAL 60 HB VAL 60 5.472 9.655 0.432 534 HG11 VAL 60 1HG1 VAL 60 4.475 11.272 2.000 535 HG12 VAL 60 2HG1 VAL 60 4.610 10.091 3.307 536 HG13 VAL 60 3HG1 VAL 60 3.547 9.773 1.934 537 HG21 VAL 60 3HG2 VAL 60 6.933 11.268 1.612 538 HG22 VAL 60 1HG2 VAL 60 7.782 9.754 1.279 539 HG23 VAL 60 2HG2 VAL 60 7.189 10.093 2.904 540 H HIS 61 H HIS 61 5.881 7.686 -0.693 541 HA HIS 61 HA HIS 61 8.683 6.811 -0.685 542 HB2 HIS 61 2HB HIS 61 7.273 4.714 -0.745 543 HB3 HIS 61 1HB HIS 61 6.507 5.299 -2.220 544 HD1 HIS 61 HD1 HIS 61 7.951 5.284 -4.391 545 HD2 HIS 61 HD2 HIS 61 9.858 3.687 -1.065 546 HE1 HIS 61 HE1 HIS 61 9.976 4.094 -5.274 547 HE2 HIS 61 HE2 HIS 61 11.114 3.141 -3.247 548 H GLY 62 H GLY 62 9.484 8.534 -1.733 549 HA2 GLY 62 2HA GLY 62 10.103 9.869 -3.482 550 HA3 GLY 62 1HA GLY 62 9.136 8.848 -4.533 551 H THR 63 H THR 63 8.948 11.136 -5.447 552 HA THR 63 HA THR 63 6.811 12.762 -4.292 553 HB THR 63 HB THR 63 7.285 14.203 -6.387 554 HG1 THR 63 HG1 THR 63 9.760 13.415 -6.852 555 HG21 THR 63 3HG2 THR 63 9.345 15.166 -5.431 556 HG22 THR 63 1HG2 THR 63 9.559 13.735 -4.415 557 HG23 THR 63 2HG2 THR 63 8.178 14.803 -4.164 558 H LYS 64 H LYS 64 6.739 9.971 -5.852 559 HA LYS 64 HA LYS 64 5.017 10.544 -8.122 560 HB2 LYS 64 2HB LYS 64 6.318 8.013 -7.048 561 HB3 LYS 64 1HB LYS 64 5.123 7.947 -8.337 562 HG2 LYS 64 2HG LYS 64 7.363 7.855 -9.272 563 HG3 LYS 64 1HG LYS 64 6.563 9.347 -9.763 564 HD2 LYS 64 2HD LYS 64 7.831 10.553 -7.959 565 HD3 LYS 64 1HD LYS 64 8.695 9.055 -7.609 566 HE2 LYS 64 2HE LYS 64 9.722 9.063 -9.796 567 HE3 LYS 64 1HE LYS 64 8.697 10.396 -10.331 568 HZ1 LYS 64 3HZ LYS 64 10.873 10.503 -8.317 569 HZ2 LYS 64 1HZ LYS 64 9.785 11.768 -8.578 570 HZ3 LYS 64 2HZ LYS 64 10.822 11.270 -9.816 571 H GLY 65 H GLY 65 4.408 10.198 -4.870 572 HA2 GLY 65 2HA GLY 65 2.339 10.161 -3.810 573 HA3 GLY 65 1HA GLY 65 1.578 9.661 -5.311 574 H ALA 66 H ALA 66 4.106 7.626 -5.010 575 HA ALA 66 HA ALA 66 2.661 5.376 -4.128 576 HB1 ALA 66 3HB ALA 66 4.851 4.224 -4.139 577 HB2 ALA 66 1HB ALA 66 5.669 5.782 -4.314 578 HB3 ALA 66 2HB ALA 66 4.627 5.181 -5.605 579 H VAL 67 H VAL 67 2.468 4.507 -2.138 580 HA VAL 67 HA VAL 67 3.566 5.942 0.198 581 HB VAL 67 HB VAL 67 1.579 5.053 1.439 582 HG11 VAL 67 1HG1 VAL 67 1.479 7.320 0.524 583 HG12 VAL 67 2HG1 VAL 67 -0.112 6.564 0.428 584 HG13 VAL 67 3HG1 VAL 67 0.889 6.704 -1.022 585 HG21 VAL 67 3HG2 VAL 67 1.033 3.065 0.143 586 HG22 VAL 67 1HG2 VAL 67 0.683 4.040 -1.288 587 HG23 VAL 67 2HG2 VAL 67 -0.364 4.148 0.129 588 H ARG 68 H ARG 68 4.134 4.698 2.033 589 HA ARG 68 HA ARG 68 4.935 1.903 1.540 590 HB2 ARG 68 2HB ARG 68 6.834 3.293 2.099 591 HB3 ARG 68 1HB ARG 68 6.005 3.987 3.492 592 HG2 ARG 68 2HG ARG 68 6.091 1.840 4.661 593 HG3 ARG 68 1HG ARG 68 6.775 1.061 3.236 594 HD2 ARG 68 2HD ARG 68 8.151 3.288 4.766 595 HD3 ARG 68 1HD ARG 68 8.431 1.569 5.052 596 HE ARG 68 HE ARG 68 8.828 2.094 2.328 597 HH11 ARG 68 1HH1 ARG 68 10.397 2.864 5.399 598 HH12 ARG 68 2HH1 ARG 68 11.973 2.990 4.680 599 HH21 ARG 68 1HH2 ARG 68 10.877 2.256 1.409 600 HH22 ARG 68 2HH2 ARG 68 12.245 2.642 2.404 601 H ALA 69 H ALA 69 3.400 0.575 2.234 602 HA ALA 69 HA ALA 69 1.962 1.111 4.763 603 HB1 ALA 69 3HB ALA 69 1.219 -0.745 2.470 604 HB2 ALA 69 1HB ALA 69 0.521 0.847 2.790 605 HB3 ALA 69 2HB ALA 69 0.268 -0.471 3.933 606 H ARG 70 H ARG 70 2.690 0.010 6.485 607 HA ARG 70 HA ARG 70 4.181 -2.493 6.244 608 HB2 ARG 70 2HB ARG 70 3.395 -0.759 8.621 609 HB3 ARG 70 1HB ARG 70 4.159 -2.330 8.823 610 HG2 ARG 70 2HG ARG 70 6.153 -1.533 7.624 611 HG3 ARG 70 1HG ARG 70 5.393 0.046 7.392 612 HD2 ARG 70 2HD ARG 70 5.321 0.407 9.816 613 HD3 ARG 70 1HD ARG 70 5.974 -1.210 10.103 614 HE ARG 70 HE ARG 70 7.944 -0.199 8.661 615 HH11 ARG 70 1HH1 ARG 70 6.165 1.365 11.282 616 HH12 ARG 70 2HH1 ARG 70 7.504 2.352 11.768 617 HH21 ARG 70 1HH2 ARG 70 9.714 1.064 9.359 618 HH22 ARG 70 2HH2 ARG 70 9.524 2.178 10.675 619 H PHE 71 H PHE 71 2.977 -4.274 5.873 620 HA PHE 71 HA PHE 71 0.299 -4.641 6.972 621 HB2 PHE 71 2HB PHE 71 2.025 -6.287 5.082 622 HB3 PHE 71 1HB PHE 71 0.509 -6.905 5.732 623 HD1 PHE 71 HD1 PHE 71 1.918 -4.023 3.775 624 HD2 PHE 71 HD2 PHE 71 -1.521 -6.418 4.649 625 HE1 PHE 71 HE1 PHE 71 0.669 -2.907 1.977 626 HE2 PHE 71 HE2 PHE 71 -2.753 -5.298 2.847 627 HZ PHE 71 HZ PHE 71 -1.661 -3.543 1.513 628 H GLU 72 H GLU 72 -0.289 -6.236 8.397 629 HA GLU 72 HA GLU 72 1.156 -6.724 10.673 630 HB2 GLU 72 2HB GLU 72 -0.569 -8.607 11.073 631 HB3 GLU 72 1HB GLU 72 -1.226 -7.010 10.726 632 HG2 GLU 72 2HG GLU 72 -1.758 -7.622 8.450 633 HG3 GLU 72 1HG GLU 72 -0.896 -9.146 8.594 634 H LYS 73 H LYS 73 0.772 -8.881 7.914 635 HA LYS 73 HA LYS 73 2.841 -10.743 8.921 636 HB2 LYS 73 2HB LYS 73 0.664 -11.194 6.820 637 HB3 LYS 73 1HB LYS 73 1.811 -12.400 7.391 638 HG2 LYS 73 2HG LYS 73 -0.284 -11.059 9.131 639 HG3 LYS 73 1HG LYS 73 -0.483 -12.632 8.372 640 HD2 LYS 73 2HD LYS 73 1.590 -11.890 10.477 641 HD3 LYS 73 1HD LYS 73 0.148 -12.874 10.732 642 HE2 LYS 73 2HE LYS 73 2.529 -13.605 8.992 643 HE3 LYS 73 1HE LYS 73 2.122 -14.307 10.554 644 HZ1 LYS 73 3HZ LYS 73 0.081 -15.173 9.581 645 HZ2 LYS 73 1HZ LYS 73 1.439 -15.749 8.765 646 HZ3 LYS 73 2HZ LYS 73 0.491 -14.526 8.080 647 H GLY 74 H GLY 74 1.481 -9.366 5.927 648 HA2 GLY 74 2HA GLY 74 2.393 -8.759 3.932 649 HA3 GLY 74 1HA GLY 74 3.898 -8.478 4.801 650 H LEU 75 H LEU 75 1.916 -11.322 3.919 651 HA LEU 75 HA LEU 75 4.112 -13.060 3.654 652 HB2 LEU 75 2HB LEU 75 1.219 -13.318 2.793 653 HB3 LEU 75 1HB LEU 75 2.395 -14.589 2.485 654 HG LEU 75 HG LEU 75 1.508 -13.572 5.213 655 HD11 LEU 75 1HD1 LEU 75 1.134 -16.282 3.894 656 HD12 LEU 75 2HD1 LEU 75 -0.114 -15.053 4.119 657 HD13 LEU 75 3HD1 LEU 75 0.616 -15.829 5.520 658 HD21 LEU 75 3HD2 LEU 75 3.017 -15.230 6.198 659 HD22 LEU 75 1HD2 LEU 75 3.938 -14.080 5.220 660 HD23 LEU 75 2HD2 LEU 75 3.599 -15.696 4.598 661 HA PRO 76 HA PRO 76 5.438 -11.326 -0.248 662 HB2 PRO 76 2HB PRO 76 7.502 -13.479 -0.257 663 HB3 PRO 76 1HB PRO 76 7.720 -11.724 -0.102 664 HG2 PRO 76 2HG PRO 76 8.144 -13.379 1.988 665 HG3 PRO 76 1HG PRO 76 7.466 -11.751 2.216 666 HD2 PRO 76 2HD PRO 76 6.025 -14.393 2.108 667 HD3 PRO 76 1HD PRO 76 5.842 -13.049 3.260 668 H GLY 77 H GLY 77 5.834 -12.048 -2.481 669 HA2 GLY 77 2HA GLY 77 5.364 -14.527 -3.600 670 HA3 GLY 77 1HA GLY 77 3.769 -13.792 -3.406 671 H GLN 78 H GLN 78 4.599 -14.358 -5.931 672 HA GLN 78 HA GLN 78 5.843 -12.021 -7.161 673 HB2 GLN 78 2HB GLN 78 5.639 -13.329 -9.270 674 HB3 GLN 78 1HB GLN 78 6.492 -14.196 -8.003 675 HG2 GLN 78 2HG GLN 78 4.461 -15.530 -7.547 676 HG3 GLN 78 1HG GLN 78 3.614 -14.666 -8.834 677 HE21 GLN 78 1HE2 GLN 78 4.222 -15.076 -11.009 678 HE22 GLN 78 2HE2 GLN 78 5.131 -16.472 -11.460 679 H ALA 79 H ALA 79 3.232 -11.697 -5.831 680 HA ALA 79 HA ALA 79 1.241 -11.197 -7.893 681 HB1 ALA 79 3HB ALA 79 1.217 -10.675 -4.891 682 HB2 ALA 79 1HB ALA 79 0.559 -12.099 -5.703 683 HB3 ALA 79 2HB ALA 79 -0.174 -10.517 -5.967 684 H LEU 80 H LEU 80 3.890 -9.659 -7.722 685 HA LEU 80 HA LEU 80 3.404 -6.944 -7.135 686 HB2 LEU 80 2HB LEU 80 5.332 -8.193 -9.140 687 HB3 LEU 80 1HB LEU 80 5.400 -6.525 -8.589 688 HG LEU 80 HG LEU 80 5.842 -8.976 -6.833 689 HD11 LEU 80 1HD1 LEU 80 7.699 -8.665 -8.382 690 HD12 LEU 80 2HD1 LEU 80 8.194 -8.241 -6.746 691 HD13 LEU 80 3HD1 LEU 80 7.844 -6.967 -7.918 692 HD21 LEU 80 3HD2 LEU 80 6.553 -7.338 -5.114 693 HD22 LEU 80 1HD2 LEU 80 4.852 -7.170 -5.547 694 HD23 LEU 80 2HD2 LEU 80 6.037 -6.023 -6.173 695 H GLY 81 H GLY 81 1.936 -5.695 -8.076 696 HA2 GLY 81 2HA GLY 81 1.217 -4.527 -10.118 697 HA3 GLY 81 1HA GLY 81 1.157 -6.088 -10.925 698 H ASP 82 H ASP 82 0.077 -6.730 -7.906 699 HA ASP 82 HA ASP 82 -2.676 -6.937 -8.778 700 HB2 ASP 82 2HB ASP 82 -1.535 -8.763 -7.519 701 HB3 ASP 82 1HB ASP 82 -1.391 -7.709 -6.117 702 H TYR 83 H TYR 83 -4.523 -6.089 -7.576 703 HA TYR 83 HA TYR 83 -4.061 -3.351 -6.695 704 HB2 TYR 83 2HB TYR 83 -6.632 -4.900 -7.198 705 HB3 TYR 83 1HB TYR 83 -6.579 -3.211 -6.715 706 HD1 TYR 83 HD2 TYR 83 -5.567 -1.509 -8.296 707 HD2 TYR 83 HD1 TYR 83 -6.343 -5.525 -9.519 708 HE1 TYR 83 HE2 TYR 83 -5.491 -0.811 -10.646 709 HE2 TYR 83 HE1 TYR 83 -6.265 -4.826 -11.882 710 HH TYR 83 HH TYR 83 -6.630 -2.704 -13.188 711 H VAL 84 H VAL 84 -4.533 -2.522 -4.720 712 HA VAL 84 HA VAL 84 -5.478 -4.301 -2.536 713 HB VAL 84 HB VAL 84 -4.274 -2.925 -0.932 714 HG11 VAL 84 1HG1 VAL 84 -1.919 -3.331 -1.541 715 HG12 VAL 84 2HG1 VAL 84 -2.395 -3.612 -3.219 716 HG13 VAL 84 3HG1 VAL 84 -2.941 -4.709 -1.950 717 HG21 VAL 84 3HG2 VAL 84 -4.526 -0.720 -1.975 718 HG22 VAL 84 1HG2 VAL 84 -3.381 -1.167 -3.243 719 HG23 VAL 84 2HG2 VAL 84 -2.836 -1.020 -1.571 720 H GLU 85 H GLU 85 -6.937 -3.284 -0.993 721 HA GLU 85 HA GLU 85 -8.372 -0.886 -1.994 722 HB2 GLU 85 2HB GLU 85 -9.463 -3.070 -0.173 723 HB3 GLU 85 1HB GLU 85 -10.357 -1.688 -0.805 724 HG2 GLU 85 2HG GLU 85 -9.888 -2.604 -3.140 725 HG3 GLU 85 1HG GLU 85 -9.296 -4.067 -2.352 726 H ILE 86 H ILE 86 -7.752 0.837 -0.914 727 HA ILE 86 HA ILE 86 -6.593 0.663 1.757 728 HB ILE 86 HB ILE 86 -6.784 3.052 -0.143 729 HG12 ILE 86 2HG1 ILE 86 -4.389 1.255 0.446 730 HG13 ILE 86 1HG1 ILE 86 -5.375 1.140 -1.006 731 HG21 ILE 86 1HG2 ILE 86 -5.176 2.700 2.412 732 HG22 ILE 86 2HG2 ILE 86 -6.570 3.760 2.201 733 HG23 ILE 86 3HG2 ILE 86 -5.075 4.085 1.325 734 HD11 ILE 86 3HD1 ILE 86 -4.678 3.392 -1.657 735 HD12 ILE 86 1HD1 ILE 86 -3.307 2.305 -1.441 736 HD13 ILE 86 2HD1 ILE 86 -3.680 3.504 -0.203 737 H VAL 87 H VAL 87 -8.187 0.476 3.216 738 HA VAL 87 HA VAL 87 -10.721 1.871 3.048 739 HB VAL 87 HB VAL 87 -9.561 0.126 5.280 740 HG11 VAL 87 1HG1 VAL 87 -11.360 1.568 6.119 741 HG12 VAL 87 2HG1 VAL 87 -11.876 -0.117 6.079 742 HG13 VAL 87 3HG1 VAL 87 -12.436 1.005 4.836 743 HG21 VAL 87 3HG2 VAL 87 -9.758 -1.122 3.171 744 HG22 VAL 87 1HG2 VAL 87 -11.453 -0.647 3.028 745 HG23 VAL 87 2HG2 VAL 87 -10.936 -1.695 4.350 746 H LEU 88 H LEU 88 -11.268 3.722 4.161 747 HA LEU 88 HA LEU 88 -9.214 5.212 5.546 748 HB2 LEU 88 2HB LEU 88 -11.076 6.151 4.013 749 HB3 LEU 88 1HB LEU 88 -12.173 5.910 5.356 750 HG LEU 88 HG LEU 88 -11.340 8.284 5.065 751 HD11 LEU 88 1HD1 LEU 88 -12.243 7.602 7.240 752 HD12 LEU 88 2HD1 LEU 88 -10.950 8.781 7.430 753 HD13 LEU 88 3HD1 LEU 88 -10.644 7.072 7.760 754 HD21 LEU 88 3HD2 LEU 88 -9.043 7.777 4.363 755 HD22 LEU 88 1HD2 LEU 88 -8.667 7.156 5.972 756 HD23 LEU 88 2HD2 LEU 88 -9.054 8.865 5.748 757 H GLU 89 H GLU 89 -8.679 4.151 7.447 758 HA GLU 89 HA GLU 89 -10.649 4.314 9.629 759 HB2 GLU 89 2HB GLU 89 -8.863 1.930 9.016 760 HB3 GLU 89 1HB GLU 89 -9.430 2.240 10.653 761 HG2 GLU 89 2HG GLU 89 -11.786 2.133 9.790 762 HG3 GLU 89 1HG GLU 89 -11.130 1.679 8.219 763 H HIS 90 H HIS 90 -9.888 5.366 11.335 764 HA HIS 90 HA HIS 90 -7.141 6.237 11.581 765 HB2 HIS 90 2HB HIS 90 -9.139 7.652 12.253 766 HB3 HIS 90 1HB HIS 90 -9.421 6.543 13.587 767 HD1 HIS 90 HD1 HIS 90 -8.341 7.219 15.745 768 HD2 HIS 90 HD2 HIS 90 -6.478 8.962 12.467 769 HE1 HIS 90 HE1 HIS 90 -6.613 8.769 16.695 770 HE2 HIS 90 HE2 HIS 90 -5.686 9.977 14.698 771 H HIS 91 H HIS 91 -9.091 3.658 12.607 772 HA HIS 91 HA HIS 91 -7.874 2.762 14.969 773 HB2 HIS 91 2HB HIS 91 -10.104 2.020 14.251 774 HB3 HIS 91 1HB HIS 91 -9.422 1.253 12.820 775 HD1 HIS 91 HD1 HIS 91 -9.146 -1.189 13.066 776 HD2 HIS 91 HD2 HIS 91 -8.903 0.733 16.741 777 HE1 HIS 91 HE1 HIS 91 -8.838 -3.012 14.759 778 HE2 HIS 91 HE2 HIS 91 -8.563 -1.824 16.954 Start of MODEL 15 1 H1 MET 1 1H MET 1 -14.749 5.215 -1.055 2 H2 MET 1 2H MET 1 -13.773 6.529 -0.649 3 H3 MET 1 3H MET 1 -15.368 6.457 -0.088 4 HA MET 1 HA MET 1 -13.830 5.921 1.659 5 HB2 MET 1 2HB MET 1 -16.030 4.850 1.710 6 HB3 MET 1 1HB MET 1 -15.475 3.573 0.644 7 HG2 MET 1 2HG MET 1 -13.920 2.803 2.436 8 HG3 MET 1 1HG MET 1 -14.600 4.037 3.503 9 HE1 MET 1 3HE MET 1 -16.024 0.379 4.585 10 HE2 MET 1 1HE MET 1 -14.951 1.675 5.113 11 HE3 MET 1 2HE MET 1 -14.494 0.648 3.753 12 H ARG 2 H ARG 2 -13.664 3.382 -0.904 13 HA ARG 2 HA ARG 2 -10.910 2.737 -0.047 14 HB2 ARG 2 2HB ARG 2 -11.142 0.631 -1.273 15 HB3 ARG 2 1HB ARG 2 -12.466 0.828 -0.134 16 HG2 ARG 2 2HG ARG 2 -13.936 1.545 -2.022 17 HG3 ARG 2 1HG ARG 2 -12.607 1.234 -3.138 18 HD2 ARG 2 2HD ARG 2 -12.619 -1.164 -2.429 19 HD3 ARG 2 1HD ARG 2 -14.013 -0.821 -1.392 20 HE ARG 2 HE ARG 2 -14.734 0.081 -3.887 21 HH11 ARG 2 1HH1 ARG 2 -13.850 -3.069 -2.538 22 HH12 ARG 2 2HH1 ARG 2 -14.790 -3.941 -3.715 23 HH21 ARG 2 1HH2 ARG 2 -15.848 -1.074 -5.452 24 HH22 ARG 2 2HH2 ARG 2 -15.922 -2.809 -5.366 25 H ILE 3 H ILE 3 -9.218 3.349 -1.218 26 HA ILE 3 HA ILE 3 -9.495 4.385 -3.979 27 HB ILE 3 HB ILE 3 -7.114 4.566 -2.060 28 HG12 ILE 3 2HG1 ILE 3 -9.126 6.770 -2.694 29 HG13 ILE 3 1HG1 ILE 3 -9.131 5.814 -1.220 30 HG21 ILE 3 1HG2 ILE 3 -7.564 6.061 -4.666 31 HG22 ILE 3 2HG2 ILE 3 -6.407 4.754 -4.407 32 HG23 ILE 3 3HG2 ILE 3 -6.202 6.292 -3.567 33 HD11 ILE 3 3HD1 ILE 3 -8.148 7.990 -0.847 34 HD12 ILE 3 1HD1 ILE 3 -6.935 7.697 -2.094 35 HD13 ILE 3 2HD1 ILE 3 -6.940 6.730 -0.616 36 H LYS 4 H LYS 4 -8.222 3.411 -5.670 37 HA LYS 4 HA LYS 4 -7.356 0.654 -5.148 38 HB2 LYS 4 2HB LYS 4 -7.319 0.394 -7.603 39 HB3 LYS 4 1HB LYS 4 -8.871 0.999 -7.043 40 HG2 LYS 4 2HG LYS 4 -8.143 3.311 -7.726 41 HG3 LYS 4 1HG LYS 4 -6.695 2.593 -8.436 42 HD2 LYS 4 2HD LYS 4 -9.572 2.022 -9.251 43 HD3 LYS 4 1HD LYS 4 -8.406 2.978 -10.162 44 HE2 LYS 4 2HE LYS 4 -7.000 0.959 -10.466 45 HE3 LYS 4 1HE LYS 4 -8.179 0.009 -9.555 46 HZ1 LYS 4 3HZ LYS 4 -8.605 1.342 -12.176 47 HZ2 LYS 4 1HZ LYS 4 -9.841 0.626 -11.272 48 HZ3 LYS 4 2HZ LYS 4 -8.573 -0.319 -11.865 49 H GLY 5 H GLY 5 -5.286 0.156 -4.837 50 HA2 GLY 5 2HA GLY 5 -3.112 1.922 -5.884 51 HA3 GLY 5 1HA GLY 5 -3.047 1.123 -4.313 52 H VAL 6 H VAL 6 -1.233 0.847 -6.673 53 HA VAL 6 HA VAL 6 -1.615 -1.992 -7.365 54 HB VAL 6 HB VAL 6 0.259 0.127 -8.531 55 HG11 VAL 6 1HG1 VAL 6 0.937 -1.579 -10.211 56 HG12 VAL 6 2HG1 VAL 6 0.016 -2.807 -9.338 57 HG13 VAL 6 3HG1 VAL 6 1.423 -2.058 -8.580 58 HG21 VAL 6 3HG2 VAL 6 -1.127 -0.189 -10.564 59 HG22 VAL 6 1HG2 VAL 6 -2.105 0.335 -9.187 60 HG23 VAL 6 2HG2 VAL 6 -2.132 -1.355 -9.698 61 H VAL 7 H VAL 7 -0.409 -3.540 -6.588 62 HA VAL 7 HA VAL 7 1.506 -3.301 -4.509 63 HB VAL 7 HB VAL 7 0.908 -5.655 -6.373 64 HG11 VAL 7 1HG1 VAL 7 1.826 -7.101 -4.619 65 HG12 VAL 7 2HG1 VAL 7 2.236 -5.690 -3.643 66 HG13 VAL 7 3HG1 VAL 7 3.037 -5.953 -5.194 67 HG21 VAL 7 3HG2 VAL 7 -1.141 -4.926 -5.250 68 HG22 VAL 7 1HG2 VAL 7 -0.345 -5.019 -3.675 69 HG23 VAL 7 2HG2 VAL 7 -0.620 -6.489 -4.615 70 H LEU 8 H LEU 8 3.388 -2.226 -5.013 71 HA LEU 8 HA LEU 8 4.708 -2.515 -7.590 72 HB2 LEU 8 2HB LEU 8 5.719 -1.065 -5.108 73 HB3 LEU 8 1HB LEU 8 6.352 -0.910 -6.739 74 HG LEU 8 HG LEU 8 3.646 0.064 -5.750 75 HD11 LEU 8 1HD1 LEU 8 4.505 2.315 -6.257 76 HD12 LEU 8 2HD1 LEU 8 6.074 1.627 -6.676 77 HD13 LEU 8 3HD1 LEU 8 5.466 1.500 -5.026 78 HD21 LEU 8 3HD2 LEU 8 3.307 1.031 -7.990 79 HD22 LEU 8 1HD2 LEU 8 3.353 -0.733 -8.019 80 HD23 LEU 8 2HD2 LEU 8 4.751 0.195 -8.570 81 H SER 9 H SER 9 5.694 -3.108 -4.178 82 HA SER 9 HA SER 9 7.157 -5.523 -4.885 83 HB2 SER 9 2HB SER 9 8.657 -3.074 -3.832 84 HB3 SER 9 1HB SER 9 9.352 -4.691 -3.980 85 HG SER 9 HG SER 9 8.424 -4.270 -6.326 86 H TYR 10 H TYR 10 8.215 -6.524 -2.937 87 HA TYR 10 HA TYR 10 7.015 -5.757 -0.333 88 HB2 TYR 10 2HB TYR 10 7.701 -8.578 -1.318 89 HB3 TYR 10 1HB TYR 10 7.228 -8.187 0.332 90 HD1 TYR 10 HD1 TYR 10 6.000 -7.979 -3.190 91 HD2 TYR 10 HD2 TYR 10 4.906 -8.283 0.930 92 HE1 TYR 10 HE1 TYR 10 3.666 -8.274 -3.841 93 HE2 TYR 10 HE2 TYR 10 2.547 -8.582 0.267 94 HH TYR 10 HH TYR 10 1.606 -9.241 -2.922 95 H ARG 11 H ARG 11 8.401 -5.689 1.371 96 HA ARG 11 HA ARG 11 11.207 -6.538 1.070 97 HB2 ARG 11 2HB ARG 11 11.112 -4.107 0.619 98 HB3 ARG 11 1HB ARG 11 10.283 -3.840 2.151 99 HG2 ARG 11 2HG ARG 11 12.283 -4.602 3.390 100 HG3 ARG 11 1HG ARG 11 13.104 -4.952 1.868 101 HD2 ARG 11 2HD ARG 11 12.204 -2.212 2.804 102 HD3 ARG 11 1HD ARG 11 13.861 -2.823 2.813 103 HE ARG 11 HE ARG 11 12.941 -3.056 0.208 104 HH11 ARG 11 1HH1 ARG 11 13.590 -0.399 2.433 105 HH12 ARG 11 2HH1 ARG 11 13.951 0.727 1.158 106 HH21 ARG 11 1HH2 ARG 11 13.384 -1.588 -1.433 107 HH22 ARG 11 2HH2 ARG 11 13.833 0.045 -1.045 108 H ARG 12 H ARG 12 11.488 -8.023 2.651 109 HA ARG 12 HA ARG 12 9.924 -8.110 5.058 110 HB2 ARG 12 2HB ARG 12 11.348 -9.996 5.706 111 HB3 ARG 12 1HB ARG 12 10.865 -10.168 4.024 112 HG2 ARG 12 2HG ARG 12 13.113 -9.308 3.327 113 HG3 ARG 12 1HG ARG 12 13.588 -9.267 5.030 114 HD2 ARG 12 2HD ARG 12 14.396 -11.305 3.892 115 HD3 ARG 12 1HD ARG 12 13.276 -11.692 5.201 116 HE ARG 12 HE ARG 12 12.448 -11.610 2.351 117 HH11 ARG 12 1HH1 ARG 12 12.471 -13.284 5.457 118 HH12 ARG 12 2HH1 ARG 12 11.421 -14.558 4.920 119 HH21 ARG 12 1HH2 ARG 12 11.079 -13.260 1.666 120 HH22 ARG 12 2HH2 ARG 12 10.624 -14.543 2.745 121 H SER 13 H SER 13 10.510 -7.471 7.108 122 HA SER 13 HA SER 13 13.060 -6.009 7.493 123 HB2 SER 13 2HB SER 13 11.833 -4.970 9.476 124 HB3 SER 13 1HB SER 13 11.211 -4.524 7.887 125 HG SER 13 HG SER 13 9.390 -5.109 8.806 126 H LYS 14 H LYS 14 11.031 -8.649 8.553 127 HA LYS 14 HA LYS 14 13.326 -9.930 9.724 128 HB2 LYS 14 2HB LYS 14 12.355 -8.602 11.650 129 HB3 LYS 14 1HB LYS 14 10.868 -9.533 11.498 130 HG2 LYS 14 2HG LYS 14 12.249 -10.411 13.312 131 HG3 LYS 14 1HG LYS 14 12.103 -11.605 12.020 132 HD2 LYS 14 2HD LYS 14 14.380 -10.694 11.176 133 HD3 LYS 14 1HD LYS 14 14.512 -9.897 12.742 134 HE2 LYS 14 2HE LYS 14 14.224 -12.885 12.284 135 HE3 LYS 14 1HE LYS 14 15.720 -12.048 12.692 136 HZ1 LYS 14 3HZ LYS 14 14.825 -11.468 14.818 137 HZ2 LYS 14 1HZ LYS 14 14.644 -13.131 14.593 138 HZ3 LYS 14 2HZ LYS 14 13.312 -12.108 14.423 139 H GLU 15 H GLU 15 13.129 -12.154 9.880 140 HA GLU 15 HA GLU 15 11.558 -13.575 8.061 141 HB2 GLU 15 2HB GLU 15 13.727 -14.387 8.896 142 HB3 GLU 15 1HB GLU 15 13.079 -14.524 10.526 143 HG2 GLU 15 2HG GLU 15 11.450 -16.267 9.603 144 HG3 GLU 15 1HG GLU 15 12.387 -16.230 8.115 145 H ASN 16 H ASN 16 11.224 -13.313 11.626 146 HA ASN 16 HA ASN 16 8.892 -15.015 11.713 147 HB2 ASN 16 2HB ASN 16 8.793 -14.513 14.139 148 HB3 ASN 16 1HB ASN 16 10.387 -15.047 13.644 149 HD21 ASN 16 1HD2 ASN 16 8.492 -12.250 14.641 150 HD22 ASN 16 2HD2 ASN 16 9.847 -11.292 15.123 151 H GLN 17 H GLN 17 6.943 -14.193 13.026 152 HA GLN 17 HA GLN 17 5.432 -12.527 11.393 153 HB2 GLN 17 2HB GLN 17 4.908 -13.391 14.269 154 HB3 GLN 17 1HB GLN 17 3.701 -12.673 13.205 155 HG2 GLN 17 2HG GLN 17 3.913 -14.585 11.663 156 HG3 GLN 17 1HG GLN 17 5.122 -15.310 12.718 157 HE21 GLN 17 1HE2 GLN 17 1.721 -14.616 12.323 158 HE22 GLN 17 2HE2 GLN 17 1.168 -15.633 13.604 159 H HIS 18 H HIS 18 6.077 -10.513 11.055 160 HA HIS 18 HA HIS 18 6.111 -8.495 13.184 161 HB2 HIS 18 2HB HIS 18 8.465 -9.329 13.085 162 HB3 HIS 18 1HB HIS 18 8.517 -9.039 11.353 163 HD1 HIS 18 HD1 HIS 18 9.207 -6.746 10.589 164 HD2 HIS 18 HD2 HIS 18 8.398 -6.876 14.668 165 HE1 HIS 18 HE1 HIS 18 9.885 -4.502 11.486 166 HE2 HIS 18 HE2 HIS 18 9.424 -4.622 13.956 167 H ASN 19 H ASN 19 5.894 -6.312 12.315 168 HA ASN 19 HA ASN 19 4.473 -6.045 9.870 169 HB2 ASN 19 2HB ASN 19 5.723 -3.983 11.724 170 HB3 ASN 19 1HB ASN 19 4.893 -3.518 10.246 171 HD21 ASN 19 1HD2 ASN 19 4.487 -4.748 13.474 172 HD22 ASN 19 2HD2 ASN 19 2.767 -4.603 13.518 173 H ASN 20 H ASN 20 5.726 -6.965 8.250 174 HA ASN 20 HA ASN 20 8.288 -5.801 7.457 175 HB2 ASN 20 2HB ASN 20 6.533 -7.867 6.047 176 HB3 ASN 20 1HB ASN 20 8.139 -7.378 5.513 177 HD21 ASN 20 1HD2 ASN 20 7.333 -10.024 6.130 178 HD22 ASN 20 2HD2 ASN 20 8.285 -10.569 7.469 179 H VAL 21 H VAL 21 8.515 -4.868 5.270 180 HA VAL 21 HA VAL 21 6.496 -2.775 4.935 181 HB VAL 21 HB VAL 21 9.195 -3.054 3.498 182 HG11 VAL 21 1HG1 VAL 21 7.667 -1.438 2.448 183 HG12 VAL 21 2HG1 VAL 21 9.034 -0.603 3.190 184 HG13 VAL 21 3HG1 VAL 21 7.461 -0.604 3.990 185 HG21 VAL 21 3HG2 VAL 21 9.594 -3.097 5.926 186 HG22 VAL 21 1HG2 VAL 21 8.659 -1.611 6.119 187 HG23 VAL 21 2HG2 VAL 21 10.180 -1.588 5.221 188 H MET 22 H MET 22 5.411 -2.407 2.997 189 HA MET 22 HA MET 22 5.863 -4.167 0.675 190 HB2 MET 22 2HB MET 22 3.995 -5.153 1.944 191 HB3 MET 22 1HB MET 22 3.177 -3.602 2.014 192 HG2 MET 22 2HG MET 22 2.783 -3.661 -0.391 193 HG3 MET 22 1HG MET 22 3.690 -5.173 -0.530 194 HE1 MET 22 3HE MET 22 1.276 -5.991 -1.838 195 HE2 MET 22 1HE MET 22 0.498 -4.471 -1.389 196 HE3 MET 22 2HE MET 22 -0.263 -6.010 -0.980 197 H ILE 23 H ILE 23 6.406 -2.809 -0.852 198 HA ILE 23 HA ILE 23 5.855 0.010 -0.792 199 HB ILE 23 HB ILE 23 7.067 -1.586 -3.101 200 HG12 ILE 23 2HG1 ILE 23 8.371 -2.095 -1.051 201 HG13 ILE 23 1HG1 ILE 23 9.318 -1.125 -2.169 202 HG21 ILE 23 1HG2 ILE 23 8.181 0.546 -3.688 203 HG22 ILE 23 2HG2 ILE 23 7.359 1.346 -2.347 204 HG23 ILE 23 3HG2 ILE 23 6.422 0.705 -3.697 205 HD11 ILE 23 3HD1 ILE 23 7.960 -0.129 0.338 206 HD12 ILE 23 1HD1 ILE 23 8.898 0.863 -0.782 207 HD13 ILE 23 2HD1 ILE 23 9.682 -0.433 0.120 208 H ILE 24 H ILE 24 3.914 0.740 -1.348 209 HA ILE 24 HA ILE 24 2.353 -0.434 -3.598 210 HB ILE 24 HB ILE 24 1.270 0.852 -1.024 211 HG12 ILE 24 2HG1 ILE 24 1.155 -2.079 -1.857 212 HG13 ILE 24 1HG1 ILE 24 2.198 -1.418 -0.605 213 HG21 ILE 24 1HG2 ILE 24 -0.311 -0.433 -3.283 214 HG22 ILE 24 2HG2 ILE 24 -0.228 1.295 -2.938 215 HG23 ILE 24 3HG2 ILE 24 -0.985 0.201 -1.780 216 HD11 ILE 24 3HD1 ILE 24 -0.817 -1.496 -0.540 217 HD12 ILE 24 1HD1 ILE 24 0.226 -0.801 0.707 218 HD13 ILE 24 2HD1 ILE 24 0.295 -2.526 0.359 219 H LYS 25 H LYS 25 1.113 1.244 -4.825 220 HA LYS 25 HA LYS 25 1.322 3.998 -3.841 221 HB2 LYS 25 2HB LYS 25 1.944 4.973 -5.941 222 HB3 LYS 25 1HB LYS 25 3.150 3.769 -5.532 223 HG2 LYS 25 2HG LYS 25 2.280 2.243 -7.204 224 HG3 LYS 25 1HG LYS 25 0.910 3.310 -7.532 225 HD2 LYS 25 2HD LYS 25 3.841 3.969 -8.045 226 HD3 LYS 25 1HD LYS 25 2.642 3.554 -9.271 227 HE2 LYS 25 2HE LYS 25 1.342 5.566 -8.712 228 HE3 LYS 25 1HE LYS 25 2.496 5.976 -7.443 229 HZ1 LYS 25 3HZ LYS 25 2.901 7.258 -9.418 230 HZ2 LYS 25 1HZ LYS 25 3.066 5.859 -10.352 231 HZ3 LYS 25 2HZ LYS 25 4.197 6.210 -9.148 232 HA PRO 26 HA PRO 26 -3.021 3.713 -5.162 233 HB2 PRO 26 2HB PRO 26 -3.214 6.602 -4.507 234 HB3 PRO 26 1HB PRO 26 -4.046 5.232 -3.747 235 HG2 PRO 26 2HG PRO 26 -2.106 6.640 -2.474 236 HG3 PRO 26 1HG PRO 26 -2.384 4.909 -2.171 237 HD2 PRO 26 2HD PRO 26 -0.264 6.213 -3.874 238 HD3 PRO 26 1HD PRO 26 -0.130 4.824 -2.770 239 H LEU 27 H LEU 27 -3.671 3.871 -7.262 240 HA LEU 27 HA LEU 27 -2.153 5.095 -9.289 241 HB2 LEU 27 2HB LEU 27 -4.980 3.983 -9.303 242 HB3 LEU 27 1HB LEU 27 -4.238 4.638 -10.757 243 HG LEU 27 HG LEU 27 -3.206 2.248 -9.177 244 HD11 LEU 27 1HD1 LEU 27 -5.267 1.732 -10.385 245 HD12 LEU 27 2HD1 LEU 27 -3.895 0.920 -11.134 246 HD13 LEU 27 3HD1 LEU 27 -4.579 2.366 -11.883 247 HD21 LEU 27 3HD2 LEU 27 -1.332 3.458 -10.178 248 HD22 LEU 27 1HD2 LEU 27 -2.143 3.483 -11.748 249 HD23 LEU 27 2HD2 LEU 27 -1.607 1.954 -11.051 250 H ASP 28 H ASP 28 -5.023 6.223 -7.581 251 HA ASP 28 HA ASP 28 -5.494 8.512 -9.248 252 HB2 ASP 28 2HB ASP 28 -7.311 7.412 -7.936 253 HB3 ASP 28 1HB ASP 28 -6.530 7.905 -6.438 254 H VAL 29 H VAL 29 -3.562 7.852 -6.407 255 HA VAL 29 HA VAL 29 -2.959 10.660 -5.868 256 HB VAL 29 HB VAL 29 -2.127 8.067 -4.522 257 HG11 VAL 29 1HG1 VAL 29 -1.215 10.856 -3.754 258 HG12 VAL 29 2HG1 VAL 29 -0.200 9.533 -4.331 259 HG13 VAL 29 3HG1 VAL 29 -1.009 9.404 -2.771 260 HG21 VAL 29 3HG2 VAL 29 -3.444 8.931 -2.618 261 HG22 VAL 29 1HG2 VAL 29 -4.430 8.795 -4.075 262 HG23 VAL 29 2HG2 VAL 29 -3.850 10.376 -3.546 263 H ASN 30 H ASN 30 -1.863 11.409 -7.544 264 HA ASN 30 HA ASN 30 0.662 10.193 -8.471 265 HB2 ASN 30 2HB ASN 30 -1.108 10.881 -10.135 266 HB3 ASN 30 1HB ASN 30 -0.948 12.544 -9.591 267 HD21 ASN 30 1HD2 ASN 30 0.917 13.712 -10.195 268 HD22 ASN 30 2HD2 ASN 30 1.958 13.188 -11.468 269 H SER 31 H SER 31 -0.378 12.361 -6.156 270 HA SER 31 HA SER 31 2.054 14.063 -6.263 271 HB2 SER 31 2HB SER 31 -0.687 14.751 -5.092 272 HB3 SER 31 1HB SER 31 0.718 15.822 -5.146 273 HG SER 31 HG SER 31 0.567 15.459 -7.529 274 H ARG 32 H ARG 32 3.172 14.407 -4.335 275 HA ARG 32 HA ARG 32 3.144 12.380 -2.371 276 HB2 ARG 32 2HB ARG 32 5.168 13.688 -2.946 277 HB3 ARG 32 1HB ARG 32 4.458 15.130 -2.233 278 HG2 ARG 32 2HG ARG 32 4.436 13.984 -0.019 279 HG3 ARG 32 1HG ARG 32 5.179 12.569 -0.764 280 HD2 ARG 32 2HD ARG 32 7.193 13.837 -1.272 281 HD3 ARG 32 1HD ARG 32 6.443 15.327 -0.682 282 HE ARG 32 HE ARG 32 7.625 13.213 0.890 283 HH11 ARG 32 1HH1 ARG 32 5.322 15.885 1.010 284 HH12 ARG 32 2HH1 ARG 32 5.445 16.046 2.731 285 HH21 ARG 32 1HH2 ARG 32 7.710 13.435 3.156 286 HH22 ARG 32 2HH2 ARG 32 6.775 14.680 3.925 287 H GLU 33 H GLU 33 1.668 15.594 -2.459 288 HA GLU 33 HA GLU 33 1.046 15.929 0.274 289 HB2 GLU 33 2HB GLU 33 -0.577 16.920 -2.126 290 HB3 GLU 33 1HB GLU 33 -0.732 17.507 -0.474 291 HG2 GLU 33 2HG GLU 33 0.502 19.160 -1.622 292 HG3 GLU 33 1HG GLU 33 1.688 18.293 -0.651 293 H GLU 34 H GLU 34 -0.712 14.408 -2.375 294 HA GLU 34 HA GLU 34 -3.058 13.690 -0.939 295 HB2 GLU 34 2HB GLU 34 -1.924 12.531 -3.512 296 HB3 GLU 34 1HB GLU 34 -3.566 12.286 -2.926 297 HG2 GLU 34 2HG GLU 34 -2.351 14.938 -3.739 298 HG3 GLU 34 1HG GLU 34 -3.469 13.980 -4.701 299 H ALA 35 H ALA 35 0.024 12.091 -1.516 300 HA ALA 35 HA ALA 35 -0.675 9.547 -0.367 301 HB1 ALA 35 3HB ALA 35 2.045 10.800 -0.895 302 HB2 ALA 35 1HB ALA 35 1.137 9.784 -2.015 303 HB3 ALA 35 2HB ALA 35 1.756 9.102 -0.510 304 H SER 36 H SER 36 0.562 12.576 0.889 305 HA SER 36 HA SER 36 1.825 11.481 3.259 306 HB2 SER 36 2HB SER 36 2.850 13.394 2.068 307 HB3 SER 36 1HB SER 36 1.422 14.381 2.380 308 HG SER 36 HG SER 36 2.361 13.317 4.680 309 H LYS 37 H LYS 37 -1.218 12.995 2.429 310 HA LYS 37 HA LYS 37 -2.076 13.379 5.156 311 HB2 LYS 37 2HB LYS 37 -4.236 13.975 4.219 312 HB3 LYS 37 1HB LYS 37 -2.969 14.738 3.270 313 HG2 LYS 37 2HG LYS 37 -3.217 12.931 1.554 314 HG3 LYS 37 1HG LYS 37 -4.573 12.283 2.484 315 HD2 LYS 37 2HD LYS 37 -5.797 14.419 2.187 316 HD3 LYS 37 1HD LYS 37 -4.437 15.070 1.271 317 HE2 LYS 37 2HE LYS 37 -4.778 13.246 -0.419 318 HE3 LYS 37 1HE LYS 37 -6.223 12.753 0.469 319 HZ1 LYS 37 3HZ LYS 37 -5.776 15.429 -0.741 320 HZ2 LYS 37 1HZ LYS 37 -7.175 14.937 0.075 321 HZ3 LYS 37 2HZ LYS 37 -6.747 14.212 -1.392 322 H LEU 38 H LEU 38 -1.738 10.666 3.141 323 HA LEU 38 HA LEU 38 -3.843 9.041 4.364 324 HB2 LEU 38 2HB LEU 38 -1.723 8.379 2.275 325 HB3 LEU 38 1HB LEU 38 -2.944 7.250 2.831 326 HG LEU 38 HG LEU 38 -3.514 9.837 1.335 327 HD11 LEU 38 1HD1 LEU 38 -4.084 8.429 -0.586 328 HD12 LEU 38 2HD1 LEU 38 -3.625 6.979 0.309 329 HD13 LEU 38 3HD1 LEU 38 -2.404 8.186 -0.104 330 HD21 LEU 38 3HD2 LEU 38 -5.831 9.014 1.147 331 HD22 LEU 38 1HD2 LEU 38 -5.362 9.262 2.829 332 HD23 LEU 38 2HD2 LEU 38 -5.426 7.629 2.165 333 H ILE 39 H ILE 39 -0.933 10.025 5.560 334 HA ILE 39 HA ILE 39 0.180 7.604 6.588 335 HB ILE 39 HB ILE 39 0.271 10.412 7.805 336 HG12 ILE 39 2HG1 ILE 39 1.298 10.250 5.516 337 HG13 ILE 39 1HG1 ILE 39 2.464 10.673 6.762 338 HG21 ILE 39 1HG2 ILE 39 0.782 8.747 9.529 339 HG22 ILE 39 2HG2 ILE 39 2.252 9.613 9.091 340 HG23 ILE 39 3HG2 ILE 39 1.980 7.978 8.485 341 HD11 ILE 39 3HD1 ILE 39 2.115 7.955 5.513 342 HD12 ILE 39 1HD1 ILE 39 3.293 8.370 6.761 343 HD13 ILE 39 2HD1 ILE 39 3.393 9.117 5.166 344 H GLY 40 H GLY 40 -1.166 6.200 7.580 345 HA2 GLY 40 2HA GLY 40 -2.145 5.616 9.765 346 HA3 GLY 40 1HA GLY 40 -3.005 7.146 9.725 347 H ARG 41 H ARG 41 -3.093 5.980 6.590 348 HA ARG 41 HA ARG 41 -5.842 5.150 6.766 349 HB2 ARG 41 2HB ARG 41 -5.795 4.941 4.357 350 HB3 ARG 41 1HB ARG 41 -4.928 6.395 4.810 351 HG2 ARG 41 2HG ARG 41 -3.536 5.594 3.157 352 HG3 ARG 41 1HG ARG 41 -2.787 4.859 4.567 353 HD2 ARG 41 2HD ARG 41 -3.889 2.732 4.065 354 HD3 ARG 41 1HD ARG 41 -4.749 3.457 2.717 355 HE ARG 41 HE ARG 41 -2.164 2.339 2.684 356 HH11 ARG 41 1HH1 ARG 41 -3.782 5.138 1.275 357 HH12 ARG 41 2HH1 ARG 41 -2.738 5.173 -0.105 358 HH21 ARG 41 1HH2 ARG 41 -0.897 2.361 0.818 359 HH22 ARG 41 2HH2 ARG 41 -1.118 3.610 -0.361 360 H LEU 42 H LEU 42 -6.696 3.078 6.084 361 HA LEU 42 HA LEU 42 -5.031 0.797 6.888 362 HB2 LEU 42 2HB LEU 42 -7.275 1.070 7.912 363 HB3 LEU 42 1HB LEU 42 -8.013 0.991 6.323 364 HG LEU 42 HG LEU 42 -7.241 -1.365 6.085 365 HD11 LEU 42 1HD1 LEU 42 -5.249 -1.325 7.478 366 HD12 LEU 42 2HD1 LEU 42 -6.346 -2.592 8.024 367 HD13 LEU 42 3HD1 LEU 42 -6.228 -1.080 8.928 368 HD21 LEU 42 3HD2 LEU 42 -8.819 -2.365 7.694 369 HD22 LEU 42 1HD2 LEU 42 -9.490 -0.929 6.917 370 HD23 LEU 42 2HD2 LEU 42 -8.891 -0.836 8.576 371 H VAL 43 H VAL 43 -4.539 -0.873 5.503 372 HA VAL 43 HA VAL 43 -5.486 -0.780 2.692 373 HB VAL 43 HB VAL 43 -2.905 -2.166 3.590 374 HG11 VAL 43 1HG1 VAL 43 -3.873 -1.280 0.845 375 HG12 VAL 43 2HG1 VAL 43 -3.872 -2.933 1.467 376 HG13 VAL 43 3HG1 VAL 43 -2.345 -2.095 1.191 377 HG21 VAL 43 3HG2 VAL 43 -2.602 0.211 4.111 378 HG22 VAL 43 1HG2 VAL 43 -3.087 0.657 2.472 379 HG23 VAL 43 2HG2 VAL 43 -1.598 -0.256 2.738 380 H LEU 44 H LEU 44 -6.785 -2.474 2.230 381 HA LEU 44 HA LEU 44 -6.525 -5.036 3.689 382 HB2 LEU 44 2HB LEU 44 -8.958 -3.864 2.256 383 HB3 LEU 44 1HB LEU 44 -8.898 -5.458 2.992 384 HG LEU 44 HG LEU 44 -8.721 -2.809 4.483 385 HD11 LEU 44 1HD1 LEU 44 -10.927 -3.373 5.385 386 HD12 LEU 44 2HD1 LEU 44 -10.974 -4.841 4.407 387 HD13 LEU 44 3HD1 LEU 44 -10.974 -3.257 3.626 388 HD21 LEU 44 3HD2 LEU 44 -8.725 -5.634 5.595 389 HD22 LEU 44 1HD2 LEU 44 -8.843 -4.154 6.549 390 HD23 LEU 44 2HD2 LEU 44 -7.380 -4.491 5.629 391 H TRP 45 H TRP 45 -5.273 -6.316 2.414 392 HA TRP 45 HA TRP 45 -6.073 -6.635 -0.409 393 HB2 TRP 45 2HB TRP 45 -3.946 -5.339 -0.350 394 HB3 TRP 45 1HB TRP 45 -3.180 -6.636 0.570 395 HD1 TRP 45 HD1 TRP 45 -4.894 -6.145 -2.893 396 HE1 TRP 45 HE1 TRP 45 -3.826 -7.780 -4.560 397 HE3 TRP 45 HE3 TRP 45 -1.747 -8.575 0.287 398 HZ2 TRP 45 HZ2 TRP 45 -1.915 -9.829 -4.527 399 HZ3 TRP 45 HZ3 TRP 45 -0.321 -10.370 -0.603 400 HH2 TRP 45 HH2 TRP 45 -0.404 -10.988 -2.965 401 H LYS 46 H LYS 46 -6.783 -8.621 -0.685 402 HA LYS 46 HA LYS 46 -6.197 -10.765 1.195 403 HB2 LYS 46 2HB LYS 46 -8.527 -10.318 0.442 404 HB3 LYS 46 1HB LYS 46 -8.056 -10.649 -1.222 405 HG2 LYS 46 2HG LYS 46 -7.551 -12.998 -0.613 406 HG3 LYS 46 1HG LYS 46 -8.015 -12.661 1.057 407 HD2 LYS 46 2HD LYS 46 -9.844 -13.797 -0.166 408 HD3 LYS 46 1HD LYS 46 -10.329 -12.174 0.334 409 HE2 LYS 46 2HE LYS 46 -9.897 -11.340 -1.955 410 HE3 LYS 46 1HE LYS 46 -9.386 -12.955 -2.452 411 HZ1 LYS 46 3HZ LYS 46 -12.101 -12.305 -1.428 412 HZ2 LYS 46 1HZ LYS 46 -11.583 -13.781 -2.066 413 HZ3 LYS 46 2HZ LYS 46 -11.697 -12.423 -3.065 414 H SER 47 H SER 47 -4.279 -11.659 0.854 415 HA SER 47 HA SER 47 -2.854 -11.961 -1.557 416 HB2 SER 47 2HB SER 47 -1.417 -13.536 -0.195 417 HB3 SER 47 1HB SER 47 -1.711 -11.993 0.601 418 HG SER 47 HG SER 47 -2.948 -12.947 2.071 419 HA PRO 48 HA PRO 48 -4.453 -15.913 -3.280 420 HB2 PRO 48 2HB PRO 48 -2.114 -16.865 -4.431 421 HB3 PRO 48 1HB PRO 48 -3.134 -15.614 -5.166 422 HG2 PRO 48 2HG PRO 48 -0.635 -15.276 -3.545 423 HG3 PRO 48 1HG PRO 48 -1.112 -14.464 -5.054 424 HD2 PRO 48 2HD PRO 48 -1.374 -13.235 -2.672 425 HD3 PRO 48 1HD PRO 48 -2.574 -12.999 -3.963 426 H SER 49 H SER 49 -2.005 -15.631 -0.849 427 HA SER 49 HA SER 49 -1.667 -18.287 -0.002 428 HB2 SER 49 2HB SER 49 -1.964 -15.827 1.788 429 HB3 SER 49 1HB SER 49 -1.098 -17.317 2.176 430 HG SER 49 HG SER 49 0.563 -16.670 1.011 431 H GLY 50 H GLY 50 -4.398 -16.142 0.138 432 HA2 GLY 50 2HA GLY 50 -6.635 -16.721 0.566 433 HA3 GLY 50 1HA GLY 50 -6.106 -18.121 1.493 434 H LYS 51 H LYS 51 -4.689 -14.955 1.936 435 HA LYS 51 HA LYS 51 -5.927 -14.723 4.627 436 HB2 LYS 51 2HB LYS 51 -3.022 -14.157 3.845 437 HB3 LYS 51 1HB LYS 51 -3.716 -13.863 5.434 438 HG2 LYS 51 2HG LYS 51 -3.461 -16.570 4.120 439 HG3 LYS 51 1HG LYS 51 -2.365 -15.932 5.341 440 HD2 LYS 51 2HD LYS 51 -5.337 -16.417 5.776 441 HD3 LYS 51 1HD LYS 51 -4.069 -17.547 6.244 442 HE2 LYS 51 2HE LYS 51 -4.305 -14.707 7.295 443 HE3 LYS 51 1HE LYS 51 -4.886 -16.139 8.139 444 HZ1 LYS 51 3HZ LYS 51 -2.704 -15.411 8.904 445 HZ2 LYS 51 1HZ LYS 51 -2.060 -15.678 7.364 446 HZ3 LYS 51 2HZ LYS 51 -2.662 -16.975 8.262 447 H ILE 52 H ILE 52 -6.586 -12.735 5.218 448 HA ILE 52 HA ILE 52 -6.483 -10.521 3.308 449 HB ILE 52 HB ILE 52 -7.794 -10.598 6.076 450 HG12 ILE 52 2HG1 ILE 52 -9.071 -11.017 3.327 451 HG13 ILE 52 1HG1 ILE 52 -8.794 -12.278 4.520 452 HG21 ILE 52 1HG2 ILE 52 -7.303 -8.297 5.332 453 HG22 ILE 52 2HG2 ILE 52 -9.042 -8.588 5.305 454 HG23 ILE 52 3HG2 ILE 52 -8.125 -8.601 3.798 455 HD11 ILE 52 3HD1 ILE 52 -10.674 -9.937 4.814 456 HD12 ILE 52 1HD1 ILE 52 -10.372 -11.173 6.040 457 HD13 ILE 52 2HD1 ILE 52 -11.106 -11.617 4.502 458 H LEU 53 H LEU 53 -4.368 -9.872 3.283 459 HA LEU 53 HA LEU 53 -2.803 -9.321 5.630 460 HB2 LEU 53 2HB LEU 53 -2.306 -8.394 2.768 461 HB3 LEU 53 1HB LEU 53 -1.137 -8.411 4.076 462 HG LEU 53 HG LEU 53 -2.262 -10.785 2.558 463 HD11 LEU 53 1HD1 LEU 53 0.586 -9.797 2.939 464 HD12 LEU 53 2HD1 LEU 53 -0.390 -9.651 1.475 465 HD13 LEU 53 3HD1 LEU 53 0.107 -11.242 2.044 466 HD21 LEU 53 3HD2 LEU 53 -0.969 -12.269 4.042 467 HD22 LEU 53 1HD2 LEU 53 -2.266 -11.440 4.901 468 HD23 LEU 53 2HD2 LEU 53 -0.597 -10.900 5.089 469 H LYS 54 H LYS 54 -3.384 -7.682 6.921 470 HA LYS 54 HA LYS 54 -4.490 -5.171 5.858 471 HB2 LYS 54 2HB LYS 54 -4.159 -6.103 8.734 472 HB3 LYS 54 1HB LYS 54 -4.988 -4.638 8.211 473 HG2 LYS 54 2HG LYS 54 -6.683 -6.013 7.034 474 HG3 LYS 54 1HG LYS 54 -5.850 -7.479 7.562 475 HD2 LYS 54 2HD LYS 54 -7.802 -6.990 9.002 476 HD3 LYS 54 1HD LYS 54 -6.297 -6.916 9.919 477 HE2 LYS 54 2HE LYS 54 -6.336 -4.425 9.696 478 HE3 LYS 54 1HE LYS 54 -7.893 -4.550 8.875 479 HZ1 LYS 54 3HZ LYS 54 -8.152 -4.036 11.215 480 HZ2 LYS 54 1HZ LYS 54 -7.332 -5.448 11.651 481 HZ3 LYS 54 2HZ LYS 54 -8.822 -5.542 10.862 482 H GLY 55 H GLY 55 -3.353 -3.271 5.901 483 HA2 GLY 55 2HA GLY 55 -0.720 -3.122 7.239 484 HA3 GLY 55 1HA GLY 55 -0.826 -2.842 5.507 485 H LYS 56 H LYS 56 0.244 -0.911 7.002 486 HA LYS 56 HA LYS 56 -1.573 1.330 6.615 487 HB2 LYS 56 2HB LYS 56 -2.059 0.694 8.939 488 HB3 LYS 56 1HB LYS 56 -0.344 0.702 9.342 489 HG2 LYS 56 2HG LYS 56 -0.226 3.114 9.065 490 HG3 LYS 56 1HG LYS 56 -1.876 3.177 8.446 491 HD2 LYS 56 2HD LYS 56 -1.090 2.342 11.268 492 HD3 LYS 56 1HD LYS 56 -1.728 3.921 10.810 493 HE2 LYS 56 2HE LYS 56 -3.818 2.813 10.019 494 HE3 LYS 56 1HE LYS 56 -3.181 1.265 10.581 495 HZ1 LYS 56 3HZ LYS 56 -3.835 3.637 12.243 496 HZ2 LYS 56 1HZ LYS 56 -3.062 2.255 12.838 497 HZ3 LYS 56 2HZ LYS 56 -4.634 2.150 12.230 498 H ILE 57 H ILE 57 -0.460 3.236 6.146 499 HA ILE 57 HA ILE 57 2.249 2.981 5.266 500 HB ILE 57 HB ILE 57 0.752 5.630 5.567 501 HG12 ILE 57 2HG1 ILE 57 0.761 3.784 3.137 502 HG13 ILE 57 1HG1 ILE 57 -0.618 4.064 4.195 503 HG21 ILE 57 1HG2 ILE 57 3.198 5.816 5.173 504 HG22 ILE 57 2HG2 ILE 57 2.289 6.416 3.788 505 HG23 ILE 57 3HG2 ILE 57 3.044 4.822 3.721 506 HD11 ILE 57 3HD1 ILE 57 0.729 6.168 2.501 507 HD12 ILE 57 1HD1 ILE 57 -0.685 6.400 3.531 508 HD13 ILE 57 2HD1 ILE 57 -0.777 5.338 2.131 509 H VAL 58 H VAL 58 4.001 3.147 6.508 510 HA VAL 58 HA VAL 58 4.023 4.570 9.068 511 HB VAL 58 HB VAL 58 6.392 3.746 9.267 512 HG11 VAL 58 1HG1 VAL 58 4.344 1.581 8.653 513 HG12 VAL 58 2HG1 VAL 58 4.543 2.419 10.193 514 HG13 VAL 58 3HG1 VAL 58 5.823 1.361 9.597 515 HG21 VAL 58 3HG2 VAL 58 7.010 3.644 6.881 516 HG22 VAL 58 1HG2 VAL 58 5.859 2.332 6.619 517 HG23 VAL 58 2HG2 VAL 58 7.269 2.078 7.651 518 H ARG 59 H ARG 59 5.244 4.957 5.769 519 HA ARG 59 HA ARG 59 5.487 7.782 6.023 520 HB2 ARG 59 2HB ARG 59 7.649 7.026 7.143 521 HB3 ARG 59 1HB ARG 59 8.135 6.300 5.618 522 HG2 ARG 59 2HG ARG 59 9.202 8.503 6.020 523 HG3 ARG 59 1HG ARG 59 8.233 8.486 4.544 524 HD2 ARG 59 2HD ARG 59 7.982 10.573 5.926 525 HD3 ARG 59 1HD ARG 59 6.458 9.735 5.609 526 HE ARG 59 HE ARG 59 7.757 9.055 8.118 527 HH11 ARG 59 1HH1 ARG 59 5.391 11.188 6.599 528 HH12 ARG 59 2HH1 ARG 59 4.586 11.539 8.096 529 HH21 ARG 59 1HH2 ARG 59 6.667 9.520 10.072 530 HH22 ARG 59 2HH2 ARG 59 5.306 10.596 10.054 531 H VAL 60 H VAL 60 5.780 8.804 3.970 532 HA VAL 60 HA VAL 60 5.160 7.104 1.652 533 HB VAL 60 HB VAL 60 4.581 9.146 0.465 534 HG11 VAL 60 1HG1 VAL 60 3.537 9.294 3.312 535 HG12 VAL 60 2HG1 VAL 60 2.887 8.298 2.008 536 HG13 VAL 60 3HG1 VAL 60 2.791 10.055 1.901 537 HG21 VAL 60 3HG2 VAL 60 5.730 10.729 2.806 538 HG22 VAL 60 1HG2 VAL 60 4.842 11.428 1.448 539 HG23 VAL 60 2HG2 VAL 60 6.395 10.640 1.176 540 H HIS 61 H HIS 61 6.228 7.872 -0.457 541 HA HIS 61 HA HIS 61 9.115 8.395 -0.131 542 HB2 HIS 61 2HB HIS 61 8.706 5.905 -0.177 543 HB3 HIS 61 1HB HIS 61 7.920 6.078 -1.743 544 HD1 HIS 61 HD1 HIS 61 9.404 5.789 -3.711 545 HD2 HIS 61 HD2 HIS 61 11.575 6.669 -0.281 546 HE1 HIS 61 HE1 HIS 61 11.814 5.563 -4.367 547 HE2 HIS 61 HE2 HIS 61 13.097 6.289 -2.330 548 H GLY 62 H GLY 62 9.068 10.352 -1.080 549 HA2 GLY 62 2HA GLY 62 9.300 11.869 -2.759 550 HA3 GLY 62 1HA GLY 62 9.214 10.535 -3.891 551 H THR 63 H THR 63 8.231 12.369 -5.114 552 HA THR 63 HA THR 63 5.424 13.019 -4.545 553 HB THR 63 HB THR 63 5.714 14.604 -6.509 554 HG1 THR 63 HG1 THR 63 7.361 13.969 -7.722 555 HG21 THR 63 3HG2 THR 63 7.162 16.225 -5.325 556 HG22 THR 63 1HG2 THR 63 7.728 14.939 -4.251 557 HG23 THR 63 2HG2 THR 63 6.039 15.446 -4.210 558 H LYS 64 H LYS 64 6.708 10.410 -5.764 559 HA LYS 64 HA LYS 64 5.430 10.080 -8.314 560 HB2 LYS 64 2HB LYS 64 6.778 8.144 -6.386 561 HB3 LYS 64 1HB LYS 64 5.993 7.581 -7.854 562 HG2 LYS 64 2HG LYS 64 8.390 7.735 -8.211 563 HG3 LYS 64 1HG LYS 64 7.573 8.929 -9.217 564 HD2 LYS 64 2HD LYS 64 8.234 10.722 -7.703 565 HD3 LYS 64 1HD LYS 64 8.903 9.561 -6.554 566 HE2 LYS 64 2HE LYS 64 10.708 10.616 -7.820 567 HE3 LYS 64 1HE LYS 64 10.616 8.907 -8.237 568 HZ1 LYS 64 3HZ LYS 64 9.474 11.116 -9.867 569 HZ2 LYS 64 1HZ LYS 64 9.510 9.482 -10.285 570 HZ3 LYS 64 2HZ LYS 64 10.953 10.357 -10.168 571 H GLY 65 H GLY 65 4.325 10.009 -5.091 572 HA2 GLY 65 2HA GLY 65 2.142 9.637 -4.313 573 HA3 GLY 65 1HA GLY 65 1.767 8.741 -5.780 574 H ALA 66 H ALA 66 4.689 7.613 -4.912 575 HA ALA 66 HA ALA 66 3.713 5.092 -4.032 576 HB1 ALA 66 3HB ALA 66 6.566 6.126 -4.184 577 HB2 ALA 66 1HB ALA 66 5.694 5.285 -5.469 578 HB3 ALA 66 2HB ALA 66 6.083 4.441 -3.972 579 H VAL 67 H VAL 67 3.934 4.112 -2.062 580 HA VAL 67 HA VAL 67 4.646 5.703 0.309 581 HB VAL 67 HB VAL 67 2.555 4.946 1.457 582 HG11 VAL 67 1HG1 VAL 67 1.976 6.531 -1.077 583 HG12 VAL 67 2HG1 VAL 67 2.570 7.187 0.449 584 HG13 VAL 67 3HG1 VAL 67 0.957 6.480 0.367 585 HG21 VAL 67 3HG2 VAL 67 0.665 3.994 0.159 586 HG22 VAL 67 1HG2 VAL 67 2.067 2.923 0.146 587 HG23 VAL 67 2HG2 VAL 67 1.693 3.901 -1.274 588 H ARG 68 H ARG 68 5.185 4.435 2.117 589 HA ARG 68 HA ARG 68 5.739 1.569 1.621 590 HB2 ARG 68 2HB ARG 68 7.028 3.575 3.522 591 HB3 ARG 68 1HB ARG 68 7.396 1.850 3.526 592 HG2 ARG 68 2HG ARG 68 8.373 1.956 1.334 593 HG3 ARG 68 1HG ARG 68 7.757 3.584 1.058 594 HD2 ARG 68 2HD ARG 68 9.776 2.939 3.225 595 HD3 ARG 68 1HD ARG 68 10.232 3.401 1.582 596 HE ARG 68 HE ARG 68 8.420 5.293 2.698 597 HH11 ARG 68 1HH1 ARG 68 11.784 4.292 2.904 598 HH12 ARG 68 2HH1 ARG 68 12.344 5.863 3.385 599 HH21 ARG 68 1HH2 ARG 68 9.197 7.377 3.245 600 HH22 ARG 68 2HH2 ARG 68 10.887 7.599 3.578 601 H ALA 69 H ALA 69 3.988 0.523 2.270 602 HA ALA 69 HA ALA 69 2.669 1.180 4.838 603 HB1 ALA 69 3HB ALA 69 1.612 -0.387 2.448 604 HB2 ALA 69 1HB ALA 69 1.182 1.272 2.877 605 HB3 ALA 69 2HB ALA 69 0.727 -0.057 3.941 606 H ARG 70 H ARG 70 3.333 -0.107 6.478 607 HA ARG 70 HA ARG 70 4.465 -2.753 5.915 608 HB2 ARG 70 2HB ARG 70 4.186 -1.307 8.586 609 HB3 ARG 70 1HB ARG 70 5.013 -2.841 8.324 610 HG2 ARG 70 2HG ARG 70 6.509 -1.512 6.668 611 HG3 ARG 70 1HG ARG 70 5.847 -0.078 7.458 612 HD2 ARG 70 2HD ARG 70 7.505 -2.293 8.682 613 HD3 ARG 70 1HD ARG 70 7.888 -0.574 8.578 614 HE ARG 70 HE ARG 70 5.611 -0.669 10.090 615 HH11 ARG 70 1HH1 ARG 70 8.814 -2.138 10.432 616 HH12 ARG 70 2HH1 ARG 70 8.723 -2.183 12.169 617 HH21 ARG 70 1HH2 ARG 70 5.485 -0.827 12.334 618 HH22 ARG 70 2HH2 ARG 70 6.831 -1.443 13.245 619 H PHE 71 H PHE 71 3.469 -4.597 6.270 620 HA PHE 71 HA PHE 71 0.652 -4.598 7.132 621 HB2 PHE 71 2HB PHE 71 2.286 -6.433 5.323 622 HB3 PHE 71 1HB PHE 71 0.716 -6.920 5.957 623 HD1 PHE 71 HD1 PHE 71 2.168 -3.836 4.337 624 HD2 PHE 71 HD2 PHE 71 -1.047 -6.637 4.473 625 HE1 PHE 71 HE1 PHE 71 1.031 -2.630 2.520 626 HE2 PHE 71 HE2 PHE 71 -2.171 -5.434 2.650 627 HZ PHE 71 HZ PHE 71 -1.135 -3.433 1.679 628 H GLU 72 H GLU 72 -0.003 -5.756 8.845 629 HA GLU 72 HA GLU 72 1.699 -6.411 10.929 630 HB2 GLU 72 2HB GLU 72 -0.276 -7.527 11.984 631 HB3 GLU 72 1HB GLU 72 -0.655 -5.941 11.327 632 HG2 GLU 72 2HG GLU 72 -1.818 -6.899 9.443 633 HG3 GLU 72 1HG GLU 72 -1.250 -8.517 9.844 634 H LYS 73 H LYS 73 0.228 -8.549 8.513 635 HA LYS 73 HA LYS 73 1.441 -10.971 9.513 636 HB2 LYS 73 2HB LYS 73 0.136 -10.505 6.792 637 HB3 LYS 73 1HB LYS 73 0.429 -12.056 7.569 638 HG2 LYS 73 2HG LYS 73 -1.532 -9.931 8.472 639 HG3 LYS 73 1HG LYS 73 -1.929 -11.475 7.716 640 HD2 LYS 73 2HD LYS 73 -1.024 -12.672 9.696 641 HD3 LYS 73 1HD LYS 73 -0.603 -11.126 10.437 642 HE2 LYS 73 2HE LYS 73 -3.019 -10.512 10.464 643 HE3 LYS 73 1HE LYS 73 -3.411 -12.104 9.799 644 HZ1 LYS 73 3HZ LYS 73 -1.999 -11.637 12.376 645 HZ2 LYS 73 1HZ LYS 73 -2.476 -13.135 11.757 646 HZ3 LYS 73 2HZ LYS 73 -3.641 -12.006 12.227 647 H GLY 74 H GLY 74 1.955 -8.688 6.843 648 HA2 GLY 74 2HA GLY 74 3.714 -8.218 5.474 649 HA3 GLY 74 1HA GLY 74 4.733 -8.829 6.765 650 H LEU 75 H LEU 75 2.358 -10.715 4.943 651 HA LEU 75 HA LEU 75 4.216 -12.802 4.417 652 HB2 LEU 75 2HB LEU 75 1.345 -12.358 3.559 653 HB3 LEU 75 1HB LEU 75 2.263 -13.738 2.977 654 HG LEU 75 HG LEU 75 1.576 -13.152 5.887 655 HD11 LEU 75 1HD1 LEU 75 -0.356 -13.969 4.624 656 HD12 LEU 75 2HD1 LEU 75 0.208 -15.196 5.754 657 HD13 LEU 75 3HD1 LEU 75 0.577 -15.348 4.035 658 HD21 LEU 75 3HD2 LEU 75 2.649 -15.301 6.414 659 HD22 LEU 75 1HD2 LEU 75 3.811 -14.175 5.709 660 HD23 LEU 75 2HD2 LEU 75 3.147 -15.485 4.730 661 HA PRO 76 HA PRO 76 5.807 -11.017 0.568 662 HB2 PRO 76 2HB PRO 76 7.705 -12.919 0.042 663 HB3 PRO 76 1HB PRO 76 7.908 -11.737 1.352 664 HG2 PRO 76 2HG PRO 76 7.022 -14.596 1.532 665 HG3 PRO 76 1HG PRO 76 8.142 -13.704 2.579 666 HD2 PRO 76 2HD PRO 76 5.523 -14.144 3.244 667 HD3 PRO 76 1HD PRO 76 6.456 -12.743 3.816 668 H GLY 77 H GLY 77 4.702 -11.149 -1.300 669 HA2 GLY 77 2HA GLY 77 3.974 -13.782 -2.470 670 HA3 GLY 77 1HA GLY 77 2.785 -12.494 -2.320 671 H GLN 78 H GLN 78 4.145 -13.916 -4.689 672 HA GLN 78 HA GLN 78 5.286 -11.629 -6.132 673 HB2 GLN 78 2HB GLN 78 6.288 -13.914 -6.408 674 HB3 GLN 78 1HB GLN 78 4.776 -14.471 -7.118 675 HG2 GLN 78 2HG GLN 78 5.060 -12.863 -8.976 676 HG3 GLN 78 1HG GLN 78 6.571 -12.307 -8.264 677 HE21 GLN 78 1HE2 GLN 78 4.995 -14.920 -9.966 678 HE22 GLN 78 2HE2 GLN 78 6.435 -15.768 -10.398 679 H ALA 79 H ALA 79 3.268 -10.532 -5.680 680 HA ALA 79 HA ALA 79 1.145 -11.006 -7.691 681 HB1 ALA 79 3HB ALA 79 -0.424 -10.024 -6.068 682 HB2 ALA 79 1HB ALA 79 0.881 -9.841 -4.892 683 HB3 ALA 79 2HB ALA 79 0.367 -11.452 -5.403 684 H LEU 80 H LEU 80 3.615 -9.497 -8.019 685 HA LEU 80 HA LEU 80 3.243 -6.715 -7.535 686 HB2 LEU 80 2HB LEU 80 5.174 -7.967 -9.531 687 HB3 LEU 80 1HB LEU 80 5.325 -6.404 -8.745 688 HG LEU 80 HG LEU 80 5.664 -9.144 -7.459 689 HD11 LEU 80 1HD1 LEU 80 7.617 -8.394 -8.718 690 HD12 LEU 80 2HD1 LEU 80 7.944 -8.433 -6.988 691 HD13 LEU 80 3HD1 LEU 80 7.657 -6.887 -7.793 692 HD21 LEU 80 3HD2 LEU 80 4.488 -7.759 -5.848 693 HD22 LEU 80 1HD2 LEU 80 5.662 -6.456 -6.054 694 HD23 LEU 80 2HD2 LEU 80 6.156 -7.990 -5.332 695 H GLY 81 H GLY 81 1.605 -5.648 -8.486 696 HA2 GLY 81 2HA GLY 81 0.950 -4.519 -10.626 697 HA3 GLY 81 1HA GLY 81 0.932 -6.122 -11.353 698 H ASP 82 H ASP 82 -0.223 -6.614 -8.308 699 HA ASP 82 HA ASP 82 -3.011 -6.628 -9.144 700 HB2 ASP 82 2HB ASP 82 -1.543 -7.689 -6.713 701 HB3 ASP 82 1HB ASP 82 -3.299 -7.565 -6.686 702 H TYR 83 H TYR 83 -4.626 -5.983 -7.236 703 HA TYR 83 HA TYR 83 -4.058 -3.121 -6.695 704 HB2 TYR 83 2HB TYR 83 -6.718 -4.423 -7.426 705 HB3 TYR 83 1HB TYR 83 -6.495 -2.720 -7.037 706 HD1 TYR 83 HD1 TYR 83 -5.834 -5.344 -9.569 707 HD2 TYR 83 HD2 TYR 83 -5.506 -1.171 -8.674 708 HE1 TYR 83 HE1 TYR 83 -5.289 -4.887 -11.917 709 HE2 TYR 83 HE2 TYR 83 -4.971 -0.723 -11.035 710 HH TYR 83 HH TYR 83 -5.429 -2.984 -13.498 711 H VAL 84 H VAL 84 -4.213 -2.454 -4.679 712 HA VAL 84 HA VAL 84 -5.360 -4.141 -2.554 713 HB VAL 84 HB VAL 84 -4.080 -2.796 -0.980 714 HG11 VAL 84 1HG1 VAL 84 -1.758 -3.231 -1.696 715 HG12 VAL 84 2HG1 VAL 84 -2.310 -3.472 -3.357 716 HG13 VAL 84 3HG1 VAL 84 -2.816 -4.587 -2.089 717 HG21 VAL 84 3HG2 VAL 84 -4.346 -0.572 -2.003 718 HG22 VAL 84 1HG2 VAL 84 -3.242 -1.026 -3.305 719 HG23 VAL 84 2HG2 VAL 84 -2.649 -0.897 -1.646 720 H GLU 85 H GLU 85 -6.744 -3.141 -0.954 721 HA GLU 85 HA GLU 85 -8.427 -0.941 -1.993 722 HB2 GLU 85 2HB GLU 85 -9.049 -3.026 0.144 723 HB3 GLU 85 1HB GLU 85 -10.163 -1.785 -0.431 724 HG2 GLU 85 2HG GLU 85 -10.062 -2.782 -2.712 725 HG3 GLU 85 1HG GLU 85 -9.014 -4.051 -2.094 726 H ILE 86 H ILE 86 -7.867 0.946 -1.222 727 HA ILE 86 HA ILE 86 -6.460 1.284 1.334 728 HB ILE 86 HB ILE 86 -6.988 3.079 -1.071 729 HG12 ILE 86 2HG1 ILE 86 -4.320 2.061 -0.008 730 HG13 ILE 86 1HG1 ILE 86 -5.267 1.178 -1.198 731 HG21 ILE 86 1HG2 ILE 86 -5.496 4.789 -0.034 732 HG22 ILE 86 2HG2 ILE 86 -5.555 3.879 1.474 733 HG23 ILE 86 3HG2 ILE 86 -7.029 4.583 0.819 734 HD11 ILE 86 3HD1 ILE 86 -3.515 2.402 -2.262 735 HD12 ILE 86 1HD1 ILE 86 -4.071 3.918 -1.552 736 HD13 ILE 86 2HD1 ILE 86 -5.074 3.074 -2.737 737 H VAL 87 H VAL 87 -8.055 1.055 2.843 738 HA VAL 87 HA VAL 87 -10.606 2.407 2.629 739 HB VAL 87 HB VAL 87 -9.437 0.763 4.926 740 HG11 VAL 87 1HG1 VAL 87 -12.306 1.652 4.450 741 HG12 VAL 87 2HG1 VAL 87 -11.224 2.268 5.702 742 HG13 VAL 87 3HG1 VAL 87 -11.752 0.586 5.744 743 HG21 VAL 87 3HG2 VAL 87 -9.650 -0.574 2.868 744 HG22 VAL 87 1HG2 VAL 87 -11.339 -0.084 2.701 745 HG23 VAL 87 2HG2 VAL 87 -10.839 -1.085 4.065 746 H LEU 88 H LEU 88 -10.403 4.568 2.793 747 HA LEU 88 HA LEU 88 -9.016 5.926 4.903 748 HB2 LEU 88 2HB LEU 88 -9.854 6.849 2.584 749 HB3 LEU 88 1HB LEU 88 -11.406 7.034 3.372 750 HG LEU 88 HG LEU 88 -10.092 9.158 3.274 751 HD11 LEU 88 1HD1 LEU 88 -10.522 8.240 6.137 752 HD12 LEU 88 2HD1 LEU 88 -11.737 8.955 5.076 753 HD13 LEU 88 3HD1 LEU 88 -10.352 9.913 5.590 754 HD21 LEU 88 3HD2 LEU 88 -8.099 7.738 5.069 755 HD22 LEU 88 1HD2 LEU 88 -8.070 9.453 4.652 756 HD23 LEU 88 2HD2 LEU 88 -7.838 8.240 3.397 757 H GLU 89 H GLU 89 -9.571 5.327 6.902 758 HA GLU 89 HA GLU 89 -12.160 4.290 7.619 759 HB2 GLU 89 2HB GLU 89 -9.738 4.896 9.358 760 HB3 GLU 89 1HB GLU 89 -11.140 3.948 9.847 761 HG2 GLU 89 2HG GLU 89 -10.574 2.272 8.070 762 HG3 GLU 89 1HG GLU 89 -9.132 3.216 7.694 763 H HIS 90 H HIS 90 -13.362 5.038 9.433 764 HA HIS 90 HA HIS 90 -14.077 7.773 9.498 765 HB2 HIS 90 2HB HIS 90 -15.557 7.088 11.397 766 HB3 HIS 90 1HB HIS 90 -15.673 5.967 10.044 767 HD1 HIS 90 HD1 HIS 90 -14.614 3.588 10.380 768 HD2 HIS 90 HD2 HIS 90 -14.603 5.978 13.789 769 HE1 HIS 90 HE1 HIS 90 -14.102 2.050 12.295 770 HE2 HIS 90 HE2 HIS 90 -14.011 3.521 14.320 771 H HIS 91 H HIS 91 -13.998 9.223 11.379 772 HA HIS 91 HA HIS 91 -12.110 8.844 13.506 773 HB2 HIS 91 2HB HIS 91 -10.609 10.838 12.780 774 HB3 HIS 91 1HB HIS 91 -10.349 9.294 11.979 775 HD1 HIS 91 HD1 HIS 91 -11.132 9.116 9.472 776 HD2 HIS 91 HD2 HIS 91 -11.365 12.933 11.097 777 HE1 HIS 91 HE1 HIS 91 -11.405 10.661 7.520 778 HE2 HIS 91 HE2 HIS 91 -11.680 12.944 8.540 Start of MODEL 16 1 H1 MET 1 1H MET 1 -15.887 2.580 0.857 2 H2 MET 1 2H MET 1 -15.369 3.188 -0.628 3 H3 MET 1 3H MET 1 -16.682 3.895 0.159 4 HA MET 1 HA MET 1 -14.730 5.245 0.376 5 HB2 MET 1 2HB MET 1 -15.588 3.900 2.971 6 HB3 MET 1 1HB MET 1 -14.700 5.418 2.884 7 HG2 MET 1 2HG MET 1 -17.491 4.938 1.799 8 HG3 MET 1 1HG MET 1 -17.086 5.800 3.288 9 HE1 MET 1 3HE MET 1 -18.290 8.705 0.891 10 HE2 MET 1 1HE MET 1 -18.538 7.927 2.453 11 HE3 MET 1 2HE MET 1 -18.946 7.069 0.964 12 H ARG 2 H ARG 2 -13.193 3.869 -0.841 13 HA ARG 2 HA ARG 2 -10.846 3.576 0.818 14 HB2 ARG 2 2HB ARG 2 -10.148 1.386 0.109 15 HB3 ARG 2 1HB ARG 2 -11.769 1.210 0.754 16 HG2 ARG 2 2HG ARG 2 -11.215 1.420 -2.220 17 HG3 ARG 2 1HG ARG 2 -11.184 -0.113 -1.360 18 HD2 ARG 2 2HD ARG 2 -13.548 0.131 -0.765 19 HD3 ARG 2 1HD ARG 2 -13.591 1.732 -1.506 20 HE ARG 2 HE ARG 2 -13.678 0.781 -3.597 21 HH11 ARG 2 1HH1 ARG 2 -13.073 -1.802 -1.282 22 HH12 ARG 2 2HH1 ARG 2 -13.369 -3.059 -2.440 23 HH21 ARG 2 1HH2 ARG 2 -14.060 -0.859 -5.077 24 HH22 ARG 2 2HH2 ARG 2 -13.929 -2.521 -4.590 25 H ILE 3 H ILE 3 -8.903 3.797 -0.397 26 HA ILE 3 HA ILE 3 -9.174 4.662 -3.217 27 HB ILE 3 HB ILE 3 -6.877 5.110 -1.244 28 HG12 ILE 3 2HG1 ILE 3 -9.001 7.005 -2.327 29 HG13 ILE 3 1HG1 ILE 3 -8.823 6.477 -0.662 30 HG21 ILE 3 1HG2 ILE 3 -5.886 6.581 -2.981 31 HG22 ILE 3 2HG2 ILE 3 -7.168 6.128 -4.104 32 HG23 ILE 3 3HG2 ILE 3 -6.012 4.915 -3.548 33 HD11 ILE 3 3HD1 ILE 3 -6.695 7.691 -0.531 34 HD12 ILE 3 1HD1 ILE 3 -8.062 8.731 -0.921 35 HD13 ILE 3 2HD1 ILE 3 -6.933 8.257 -2.188 36 H LYS 4 H LYS 4 -8.592 3.141 -4.683 37 HA LYS 4 HA LYS 4 -7.202 0.724 -3.768 38 HB2 LYS 4 2HB LYS 4 -7.787 -0.198 -6.015 39 HB3 LYS 4 1HB LYS 4 -9.192 0.355 -5.110 40 HG2 LYS 4 2HG LYS 4 -9.237 2.436 -6.455 41 HG3 LYS 4 1HG LYS 4 -7.839 1.860 -7.369 42 HD2 LYS 4 2HD LYS 4 -9.964 1.490 -8.593 43 HD3 LYS 4 1HD LYS 4 -9.131 -0.026 -8.242 44 HE2 LYS 4 2HE LYS 4 -10.667 -0.521 -6.432 45 HE3 LYS 4 1HE LYS 4 -11.421 1.070 -6.567 46 HZ1 LYS 4 3HZ LYS 4 -11.446 -0.983 -8.708 47 HZ2 LYS 4 1HZ LYS 4 -12.269 0.486 -8.713 48 HZ3 LYS 4 2HZ LYS 4 -12.709 -0.722 -7.620 49 H GLY 5 H GLY 5 -5.312 -0.082 -4.811 50 HA2 GLY 5 2HA GLY 5 -3.688 1.780 -6.407 51 HA3 GLY 5 1HA GLY 5 -3.104 1.344 -4.802 52 H VAL 6 H VAL 6 -1.417 0.743 -6.622 53 HA VAL 6 HA VAL 6 -1.781 -2.085 -7.424 54 HB VAL 6 HB VAL 6 -0.105 0.137 -8.701 55 HG11 VAL 6 1HG1 VAL 6 -0.217 -2.794 -9.510 56 HG12 VAL 6 2HG1 VAL 6 1.177 -1.966 -8.812 57 HG13 VAL 6 3HG1 VAL 6 0.591 -1.509 -10.412 58 HG21 VAL 6 3HG2 VAL 6 -2.507 0.223 -9.246 59 HG22 VAL 6 1HG2 VAL 6 -2.465 -1.464 -9.770 60 HG23 VAL 6 2HG2 VAL 6 -1.565 -0.236 -10.667 61 H VAL 7 H VAL 7 -0.439 -3.547 -6.591 62 HA VAL 7 HA VAL 7 1.494 -3.012 -4.584 63 HB VAL 7 HB VAL 7 1.200 -5.550 -6.275 64 HG11 VAL 7 1HG1 VAL 7 2.292 -6.705 -4.403 65 HG12 VAL 7 2HG1 VAL 7 2.453 -5.182 -3.526 66 HG13 VAL 7 3HG1 VAL 7 3.337 -5.430 -5.034 67 HG21 VAL 7 3HG2 VAL 7 -0.155 -4.869 -3.638 68 HG22 VAL 7 1HG2 VAL 7 -0.231 -6.433 -4.458 69 HG23 VAL 7 2HG2 VAL 7 -0.943 -5.002 -5.210 70 H LEU 8 H LEU 8 3.484 -2.139 -4.960 71 HA LEU 8 HA LEU 8 4.825 -2.414 -7.559 72 HB2 LEU 8 2HB LEU 8 5.643 -0.862 -5.065 73 HB3 LEU 8 1HB LEU 8 6.489 -0.819 -6.608 74 HG LEU 8 HG LEU 8 3.670 0.203 -6.086 75 HD11 LEU 8 1HD1 LEU 8 4.645 2.429 -6.557 76 HD12 LEU 8 2HD1 LEU 8 6.251 1.701 -6.626 77 HD13 LEU 8 3HD1 LEU 8 5.328 1.674 -5.121 78 HD21 LEU 8 3HD2 LEU 8 5.260 0.243 -8.678 79 HD22 LEU 8 1HD2 LEU 8 3.722 1.067 -8.401 80 HD23 LEU 8 2HD2 LEU 8 3.797 -0.692 -8.356 81 H SER 9 H SER 9 5.495 -3.089 -4.101 82 HA SER 9 HA SER 9 6.940 -5.502 -4.671 83 HB2 SER 9 2HB SER 9 9.167 -4.729 -3.782 84 HB3 SER 9 1HB SER 9 8.731 -3.937 -5.297 85 HG SER 9 HG SER 9 7.829 -2.246 -3.819 86 H TYR 10 H TYR 10 7.730 -6.579 -2.726 87 HA TYR 10 HA TYR 10 6.566 -5.608 -0.169 88 HB2 TYR 10 2HB TYR 10 7.433 -8.462 -0.884 89 HB3 TYR 10 1HB TYR 10 6.612 -7.950 0.591 90 HD1 TYR 10 HD1 TYR 10 6.207 -8.683 -2.986 91 HD2 TYR 10 HD2 TYR 10 4.185 -7.411 0.562 92 HE1 TYR 10 HE1 TYR 10 4.055 -9.006 -4.098 93 HE2 TYR 10 HE2 TYR 10 2.023 -7.753 -0.573 94 HH TYR 10 HH TYR 10 1.713 -9.390 -3.480 95 H ARG 11 H ARG 11 7.888 -5.869 1.717 96 HA ARG 11 HA ARG 11 10.743 -6.488 1.351 97 HB2 ARG 11 2HB ARG 11 10.601 -4.041 1.299 98 HB3 ARG 11 1HB ARG 11 9.664 -4.029 2.793 99 HG2 ARG 11 2HG ARG 11 11.615 -4.987 4.007 100 HG3 ARG 11 1HG ARG 11 12.549 -4.955 2.507 101 HD2 ARG 11 2HD ARG 11 11.370 -2.531 3.893 102 HD3 ARG 11 1HD ARG 11 13.055 -3.046 3.986 103 HE ARG 11 HE ARG 11 12.211 -2.676 1.287 104 HH11 ARG 11 1HH1 ARG 11 13.287 -0.841 4.109 105 HH12 ARG 11 2HH1 ARG 11 13.888 0.480 3.153 106 HH21 ARG 11 1HH2 ARG 11 13.030 -0.976 0.068 107 HH22 ARG 11 2HH2 ARG 11 13.741 0.400 0.853 108 H ARG 12 H ARG 12 10.749 -8.334 2.451 109 HA ARG 12 HA ARG 12 9.567 -8.690 5.071 110 HB2 ARG 12 2HB ARG 12 11.553 -10.374 3.470 111 HB3 ARG 12 1HB ARG 12 10.877 -10.861 5.022 112 HG2 ARG 12 2HG ARG 12 9.253 -10.337 2.511 113 HG3 ARG 12 1HG ARG 12 9.743 -11.931 3.086 114 HD2 ARG 12 2HD ARG 12 7.964 -9.978 4.580 115 HD3 ARG 12 1HD ARG 12 7.419 -11.411 3.703 116 HE ARG 12 HE ARG 12 9.225 -12.419 5.453 117 HH11 ARG 12 1HH1 ARG 12 6.366 -10.413 5.898 118 HH12 ARG 12 2HH1 ARG 12 6.042 -11.031 7.486 119 HH21 ARG 12 1HH2 ARG 12 8.799 -13.191 7.538 120 HH22 ARG 12 2HH2 ARG 12 7.420 -12.603 8.412 121 H SER 13 H SER 13 10.490 -8.011 6.906 122 HA SER 13 HA SER 13 13.378 -7.446 7.035 123 HB2 SER 13 2HB SER 13 12.104 -5.359 6.345 124 HB3 SER 13 1HB SER 13 11.236 -5.434 7.873 125 HG SER 13 HG SER 13 14.064 -5.379 7.775 126 H LYS 14 H LYS 14 14.251 -7.783 9.032 127 HA LYS 14 HA LYS 14 13.062 -9.739 10.668 128 HB2 LYS 14 2HB LYS 14 15.467 -7.973 11.298 129 HB3 LYS 14 1HB LYS 14 15.085 -9.504 12.082 130 HG2 LYS 14 2HG LYS 14 15.833 -9.133 9.160 131 HG3 LYS 14 1HG LYS 14 16.889 -9.757 10.429 132 HD2 LYS 14 2HD LYS 14 15.361 -11.703 10.725 133 HD3 LYS 14 1HD LYS 14 14.326 -11.070 9.443 134 HE2 LYS 14 2HE LYS 14 16.268 -11.282 7.857 135 HE3 LYS 14 1HE LYS 14 17.182 -12.063 9.151 136 HZ1 LYS 14 3HZ LYS 14 16.162 -13.688 7.696 137 HZ2 LYS 14 1HZ LYS 14 14.626 -13.043 7.990 138 HZ3 LYS 14 2HZ LYS 14 15.481 -13.795 9.238 139 H GLU 15 H GLU 15 12.363 -9.668 12.884 140 HA GLU 15 HA GLU 15 10.586 -7.520 13.404 141 HB2 GLU 15 2HB GLU 15 10.075 -9.822 14.093 142 HB3 GLU 15 1HB GLU 15 11.439 -9.823 15.207 143 HG2 GLU 15 2HG GLU 15 10.332 -8.049 16.546 144 HG3 GLU 15 1HG GLU 15 8.957 -8.080 15.443 145 H ASN 16 H ASN 16 11.110 -5.574 14.158 146 HA ASN 16 HA ASN 16 12.421 -5.226 16.711 147 HB2 ASN 16 2HB ASN 16 14.426 -5.192 15.272 148 HB3 ASN 16 1HB ASN 16 13.677 -4.012 14.199 149 HD21 ASN 16 1HD2 ASN 16 15.246 -2.443 14.477 150 HD22 ASN 16 2HD2 ASN 16 15.499 -1.603 15.967 151 H GLN 17 H GLN 17 12.053 -2.894 14.022 152 HA GLN 17 HA GLN 17 9.540 -1.803 14.796 153 HB2 GLN 17 2HB GLN 17 11.565 -0.972 16.498 154 HB3 GLN 17 1HB GLN 17 11.660 0.281 15.275 155 HG2 GLN 17 2HG GLN 17 9.167 -0.439 16.848 156 HG3 GLN 17 1HG GLN 17 10.257 0.893 17.216 157 HE21 GLN 17 1HE2 GLN 17 10.208 2.743 15.919 158 HE22 GLN 17 2HE2 GLN 17 8.922 3.051 14.805 159 H HIS 18 H HIS 18 8.772 -0.474 13.142 160 HA HIS 18 HA HIS 18 8.503 0.471 11.113 161 HB2 HIS 18 2HB HIS 18 11.519 0.899 11.170 162 HB3 HIS 18 1HB HIS 18 10.458 1.554 9.934 163 HD1 HIS 18 HD1 HIS 18 12.215 2.692 12.698 164 HD2 HIS 18 HD2 HIS 18 8.286 3.206 11.449 165 HE1 HIS 18 HE1 HIS 18 11.431 4.807 13.800 166 HE2 HIS 18 HE2 HIS 18 9.058 5.102 13.013 167 H ASN 19 H ASN 19 8.950 -2.439 11.364 168 HA ASN 19 HA ASN 19 10.334 -3.185 8.850 169 HB2 ASN 19 2HB ASN 19 9.479 -5.002 11.137 170 HB3 ASN 19 1HB ASN 19 10.513 -5.435 9.774 171 HD21 ASN 19 1HD2 ASN 19 12.507 -3.935 9.576 172 HD22 ASN 19 2HD2 ASN 19 13.338 -3.609 11.051 173 H ASN 20 H ASN 20 9.390 -5.403 7.997 174 HA ASN 20 HA ASN 20 7.908 -6.311 6.561 175 HB2 ASN 20 2HB ASN 20 5.977 -5.728 8.854 176 HB3 ASN 20 1HB ASN 20 5.577 -6.728 7.460 177 HD21 ASN 20 1HD2 ASN 20 7.512 -6.522 10.364 178 HD22 ASN 20 2HD2 ASN 20 7.917 -8.198 10.447 179 H VAL 21 H VAL 21 8.437 -4.359 5.284 180 HA VAL 21 HA VAL 21 6.354 -2.262 5.131 181 HB VAL 21 HB VAL 21 9.160 -2.340 3.890 182 HG11 VAL 21 1HG1 VAL 21 7.196 -0.021 4.086 183 HG12 VAL 21 2HG1 VAL 21 7.634 -0.884 2.611 184 HG13 VAL 21 3HG1 VAL 21 8.846 0.073 3.461 185 HG21 VAL 21 3HG2 VAL 21 8.202 -0.850 6.365 186 HG22 VAL 21 1HG2 VAL 21 9.812 -0.730 5.645 187 HG23 VAL 21 2HG2 VAL 21 9.271 -2.254 6.353 188 H MET 22 H MET 22 5.159 -1.983 3.229 189 HA MET 22 HA MET 22 5.801 -3.667 0.875 190 HB2 MET 22 2HB MET 22 3.981 -4.781 2.066 191 HB3 MET 22 1HB MET 22 3.081 -3.280 2.199 192 HG2 MET 22 2HG MET 22 2.701 -3.264 -0.220 193 HG3 MET 22 1HG MET 22 3.656 -4.743 -0.396 194 HE1 MET 22 3HE MET 22 -0.254 -5.694 -0.904 195 HE2 MET 22 1HE MET 22 1.293 -5.593 -1.743 196 HE3 MET 22 2HE MET 22 0.454 -4.117 -1.258 197 H ILE 23 H ILE 23 6.179 -2.364 -0.750 198 HA ILE 23 HA ILE 23 5.444 0.447 -0.695 199 HB ILE 23 HB ILE 23 7.004 -1.062 -2.849 200 HG12 ILE 23 2HG1 ILE 23 8.151 -1.375 -0.682 201 HG13 ILE 23 1HG1 ILE 23 9.084 -0.293 -1.708 202 HG21 ILE 23 1HG2 ILE 23 6.915 1.909 -2.177 203 HG22 ILE 23 2HG2 ILE 23 6.173 1.137 -3.582 204 HG23 ILE 23 3HG2 ILE 23 7.929 1.164 -3.415 205 HD11 ILE 23 3HD1 ILE 23 8.258 1.628 -0.425 206 HD12 ILE 23 1HD1 ILE 23 9.085 0.452 0.595 207 HD13 ILE 23 2HD1 ILE 23 7.325 0.536 0.601 208 H ILE 24 H ILE 24 3.670 1.180 -1.614 209 HA ILE 24 HA ILE 24 2.260 -0.284 -3.785 210 HB ILE 24 HB ILE 24 1.054 1.153 -1.358 211 HG12 ILE 24 2HG1 ILE 24 0.918 -1.816 -2.067 212 HG13 ILE 24 1HG1 ILE 24 2.023 -1.133 -0.882 213 HG21 ILE 24 1HG2 ILE 24 -0.413 -0.225 -3.641 214 HG22 ILE 24 2HG2 ILE 24 -0.356 1.515 -3.342 215 HG23 ILE 24 3HG2 ILE 24 -1.162 0.450 -2.191 216 HD11 ILE 24 3HD1 ILE 24 0.145 -2.154 0.204 217 HD12 ILE 24 1HD1 ILE 24 -0.986 -1.155 -0.709 218 HD13 ILE 24 2HD1 ILE 24 0.103 -0.412 0.467 219 H LYS 25 H LYS 25 1.224 1.135 -5.332 220 HA LYS 25 HA LYS 25 1.571 4.049 -4.922 221 HB2 LYS 25 2HB LYS 25 2.876 2.618 -6.926 222 HB3 LYS 25 1HB LYS 25 1.437 3.155 -7.772 223 HG2 LYS 25 2HG LYS 25 3.381 4.965 -6.308 224 HG3 LYS 25 1HG LYS 25 3.376 4.685 -8.045 225 HD2 LYS 25 2HD LYS 25 1.004 5.874 -6.549 226 HD3 LYS 25 1HD LYS 25 2.293 6.854 -7.242 227 HE2 LYS 25 2HE LYS 25 0.490 6.872 -8.812 228 HE3 LYS 25 1HE LYS 25 1.733 5.832 -9.498 229 HZ1 LYS 25 3HZ LYS 25 -0.708 4.905 -8.084 230 HZ2 LYS 25 1HZ LYS 25 0.465 3.907 -8.768 231 HZ3 LYS 25 2HZ LYS 25 -0.475 4.899 -9.753 232 HA PRO 26 HA PRO 26 -2.981 3.377 -5.115 233 HB2 PRO 26 2HB PRO 26 -3.021 6.267 -4.336 234 HB3 PRO 26 1HB PRO 26 -3.802 4.878 -3.553 235 HG2 PRO 26 2HG PRO 26 -1.670 6.071 -2.446 236 HG3 PRO 26 1HG PRO 26 -1.908 4.311 -2.334 237 HD2 PRO 26 2HD PRO 26 -0.074 5.856 -4.161 238 HD3 PRO 26 1HD PRO 26 0.226 4.342 -3.275 239 H LEU 27 H LEU 27 -4.466 3.875 -6.716 240 HA LEU 27 HA LEU 27 -3.478 4.893 -9.181 241 HB2 LEU 27 2HB LEU 27 -6.308 4.137 -8.355 242 HB3 LEU 27 1HB LEU 27 -5.829 4.522 -10.003 243 HG LEU 27 HG LEU 27 -4.811 2.159 -8.369 244 HD11 LEU 27 1HD1 LEU 27 -7.121 1.856 -9.121 245 HD12 LEU 27 2HD1 LEU 27 -6.033 0.776 -9.989 246 HD13 LEU 27 3HD1 LEU 27 -6.652 2.227 -10.783 247 HD21 LEU 27 3HD2 LEU 27 -4.126 2.981 -11.216 248 HD22 LEU 27 1HD2 LEU 27 -3.682 1.446 -10.461 249 HD23 LEU 27 2HD2 LEU 27 -3.031 2.955 -9.830 250 H ASP 28 H ASP 28 -5.791 6.157 -6.816 251 HA ASP 28 HA ASP 28 -6.460 8.573 -8.153 252 HB2 ASP 28 2HB ASP 28 -7.870 7.578 -6.380 253 HB3 ASP 28 1HB ASP 28 -6.609 7.850 -5.186 254 H VAL 29 H VAL 29 -3.736 7.641 -6.247 255 HA VAL 29 HA VAL 29 -2.827 10.414 -5.769 256 HB VAL 29 HB VAL 29 -2.095 7.752 -4.486 257 HG11 VAL 29 1HG1 VAL 29 -0.848 10.461 -3.936 258 HG12 VAL 29 2HG1 VAL 29 -0.044 9.051 -4.631 259 HG13 VAL 29 3HG1 VAL 29 -0.608 9.008 -2.962 260 HG21 VAL 29 3HG2 VAL 29 -3.458 10.217 -3.345 261 HG22 VAL 29 1HG2 VAL 29 -3.024 8.769 -2.433 262 HG23 VAL 29 2HG2 VAL 29 -4.229 8.671 -3.716 263 H ASN 30 H ASN 30 -1.406 11.139 -7.215 264 HA ASN 30 HA ASN 30 0.716 9.362 -8.282 265 HB2 ASN 30 2HB ASN 30 -0.882 11.453 -9.840 266 HB3 ASN 30 1HB ASN 30 0.545 10.636 -10.463 267 HD21 ASN 30 1HD2 ASN 30 -2.780 10.188 -9.440 268 HD22 ASN 30 2HD2 ASN 30 -3.055 8.719 -10.307 269 H SER 31 H SER 31 0.343 11.627 -6.131 270 HA SER 31 HA SER 31 2.924 12.917 -6.627 271 HB2 SER 31 2HB SER 31 1.178 14.452 -7.578 272 HB3 SER 31 1HB SER 31 0.431 14.543 -5.983 273 HG SER 31 HG SER 31 2.688 15.788 -6.956 274 H ARG 32 H ARG 32 3.611 14.205 -4.670 275 HA ARG 32 HA ARG 32 4.035 12.329 -2.639 276 HB2 ARG 32 2HB ARG 32 5.590 14.219 -3.256 277 HB3 ARG 32 1HB ARG 32 4.497 15.338 -2.465 278 HG2 ARG 32 2HG ARG 32 4.910 14.231 -0.293 279 HG3 ARG 32 1HG ARG 32 5.972 13.065 -1.086 280 HD2 ARG 32 2HD ARG 32 7.451 14.978 -1.785 281 HD3 ARG 32 1HD ARG 32 6.427 16.057 -0.830 282 HE ARG 32 HE ARG 32 7.372 13.885 0.749 283 HH11 ARG 32 1HH1 ARG 32 8.458 16.957 -0.611 284 HH12 ARG 32 2HH1 ARG 32 9.687 17.179 0.600 285 HH21 ARG 32 1HH2 ARG 32 9.024 14.178 2.274 286 HH22 ARG 32 2HH2 ARG 32 10.004 15.616 2.221 287 H GLU 33 H GLU 33 2.045 15.274 -2.656 288 HA GLU 33 HA GLU 33 1.516 15.193 0.192 289 HB2 GLU 33 2HB GLU 33 0.369 16.962 -2.008 290 HB3 GLU 33 1HB GLU 33 0.125 17.219 -0.283 291 HG2 GLU 33 2HG GLU 33 2.409 17.771 0.079 292 HG3 GLU 33 1HG GLU 33 2.899 17.121 -1.485 293 H GLU 34 H GLU 34 -0.142 14.241 -2.742 294 HA GLU 34 HA GLU 34 -2.705 13.639 -1.679 295 HB2 GLU 34 2HB GLU 34 -1.297 12.242 -3.997 296 HB3 GLU 34 1HB GLU 34 -3.031 12.268 -3.689 297 HG2 GLU 34 2HG GLU 34 -3.042 14.717 -4.090 298 HG3 GLU 34 1HG GLU 34 -1.318 14.649 -4.455 299 H ALA 35 H ALA 35 0.350 11.947 -1.715 300 HA ALA 35 HA ALA 35 -0.650 9.469 -0.571 301 HB1 ALA 35 3HB ALA 35 2.182 10.458 -1.077 302 HB2 ALA 35 1HB ALA 35 1.222 9.446 -2.158 303 HB3 ALA 35 2HB ALA 35 1.739 8.820 -0.593 304 H SER 36 H SER 36 0.825 12.458 0.537 305 HA SER 36 HA SER 36 1.666 11.458 3.115 306 HB2 SER 36 2HB SER 36 1.579 14.297 2.008 307 HB3 SER 36 1HB SER 36 2.321 13.834 3.545 308 HG SER 36 HG SER 36 3.088 12.529 1.164 309 H LYS 37 H LYS 37 -1.286 12.805 1.870 310 HA LYS 37 HA LYS 37 -2.385 13.420 4.489 311 HB2 LYS 37 2HB LYS 37 -4.511 13.795 3.302 312 HB3 LYS 37 1HB LYS 37 -3.190 14.646 2.512 313 HG2 LYS 37 2HG LYS 37 -3.072 12.821 0.813 314 HG3 LYS 37 1HG LYS 37 -4.461 12.054 1.579 315 HD2 LYS 37 2HD LYS 37 -5.237 13.251 -0.363 316 HD3 LYS 37 1HD LYS 37 -5.818 14.110 1.061 317 HE2 LYS 37 2HE LYS 37 -3.326 14.946 -0.465 318 HE3 LYS 37 1HE LYS 37 -4.934 15.543 -0.860 319 HZ1 LYS 37 3HZ LYS 37 -5.081 16.419 1.421 320 HZ2 LYS 37 1HZ LYS 37 -3.823 17.109 0.530 321 HZ3 LYS 37 2HZ LYS 37 -3.484 15.945 1.698 322 H LEU 38 H LEU 38 -1.870 10.604 2.629 323 HA LEU 38 HA LEU 38 -3.991 9.028 3.870 324 HB2 LEU 38 2HB LEU 38 -1.813 8.196 1.914 325 HB3 LEU 38 1HB LEU 38 -3.092 7.147 2.506 326 HG LEU 38 HG LEU 38 -3.380 9.538 0.655 327 HD11 LEU 38 1HD1 LEU 38 -2.676 7.462 -0.435 328 HD12 LEU 38 2HD1 LEU 38 -4.315 7.893 -0.913 329 HD13 LEU 38 3HD1 LEU 38 -4.052 6.600 0.262 330 HD21 LEU 38 3HD2 LEU 38 -5.821 9.140 0.658 331 HD22 LEU 38 1HD2 LEU 38 -5.236 9.649 2.241 332 HD23 LEU 38 2HD2 LEU 38 -5.627 7.953 1.951 333 H ILE 39 H ILE 39 -1.145 10.109 5.038 334 HA ILE 39 HA ILE 39 -0.039 7.778 6.267 335 HB ILE 39 HB ILE 39 0.123 10.670 7.247 336 HG12 ILE 39 2HG1 ILE 39 1.015 10.542 4.973 337 HG13 ILE 39 1HG1 ILE 39 2.353 10.738 6.095 338 HG21 ILE 39 1HG2 ILE 39 1.885 8.280 7.946 339 HG22 ILE 39 2HG2 ILE 39 0.743 9.091 9.022 340 HG23 ILE 39 3HG2 ILE 39 2.175 9.948 8.453 341 HD11 ILE 39 3HD1 ILE 39 2.939 9.178 4.382 342 HD12 ILE 39 1HD1 ILE 39 1.508 8.205 4.708 343 HD13 ILE 39 2HD1 ILE 39 2.795 8.309 5.910 344 H GLY 40 H GLY 40 -1.353 6.513 7.434 345 HA2 GLY 40 2HA GLY 40 -2.204 6.225 9.739 346 HA3 GLY 40 1HA GLY 40 -3.129 7.704 9.513 347 H ARG 41 H ARG 41 -3.322 6.215 6.567 348 HA ARG 41 HA ARG 41 -5.998 5.195 7.130 349 HB2 ARG 41 2HB ARG 41 -4.493 5.340 4.484 350 HB3 ARG 41 1HB ARG 41 -6.204 4.963 4.680 351 HG2 ARG 41 2HG ARG 41 -4.834 7.601 5.263 352 HG3 ARG 41 1HG ARG 41 -5.970 7.260 3.959 353 HD2 ARG 41 2HD ARG 41 -7.789 6.983 5.569 354 HD3 ARG 41 1HD ARG 41 -6.665 7.167 6.921 355 HE ARG 41 HE ARG 41 -6.907 9.373 5.001 356 HH11 ARG 41 1HH1 ARG 41 -7.625 8.154 8.217 357 HH12 ARG 41 2HH1 ARG 41 -8.051 9.720 8.835 358 HH21 ARG 41 1HH2 ARG 41 -7.505 11.395 5.818 359 HH22 ARG 41 2HH2 ARG 41 -7.981 11.546 7.477 360 H LEU 42 H LEU 42 -6.709 3.102 6.584 361 HA LEU 42 HA LEU 42 -4.779 0.996 7.240 362 HB2 LEU 42 2HB LEU 42 -6.917 1.159 8.498 363 HB3 LEU 42 1HB LEU 42 -7.823 1.025 7.003 364 HG LEU 42 HG LEU 42 -6.829 -1.330 6.725 365 HD11 LEU 42 1HD1 LEU 42 -4.911 -1.095 8.241 366 HD12 LEU 42 2HD1 LEU 42 -5.923 -2.467 8.681 367 HD13 LEU 42 3HD1 LEU 42 -6.006 -0.973 9.619 368 HD21 LEU 42 3HD2 LEU 42 -8.586 -0.852 9.146 369 HD22 LEU 42 1HD2 LEU 42 -8.412 -2.380 8.274 370 HD23 LEU 42 2HD2 LEU 42 -9.129 -0.983 7.471 371 H VAL 43 H VAL 43 -4.282 -0.661 5.786 372 HA VAL 43 HA VAL 43 -5.422 -0.516 3.052 373 HB VAL 43 HB VAL 43 -2.571 -1.441 3.689 374 HG11 VAL 43 1HG1 VAL 43 -3.913 -0.665 1.063 375 HG12 VAL 43 2HG1 VAL 43 -3.523 -2.307 1.584 376 HG13 VAL 43 3HG1 VAL 43 -2.228 -1.156 1.253 377 HG21 VAL 43 3HG2 VAL 43 -2.736 0.936 4.309 378 HG22 VAL 43 1HG2 VAL 43 -3.419 1.320 2.725 379 HG23 VAL 43 2HG2 VAL 43 -1.757 0.739 2.854 380 H LEU 44 H LEU 44 -6.081 -2.437 2.191 381 HA LEU 44 HA LEU 44 -5.644 -4.961 3.675 382 HB2 LEU 44 2HB LEU 44 -8.197 -4.053 2.261 383 HB3 LEU 44 1HB LEU 44 -7.954 -5.632 2.996 384 HG LEU 44 HG LEU 44 -8.045 -2.985 4.511 385 HD11 LEU 44 1HD1 LEU 44 -10.210 -3.761 5.374 386 HD12 LEU 44 2HD1 LEU 44 -10.120 -5.198 4.354 387 HD13 LEU 44 3HD1 LEU 44 -10.244 -3.596 3.619 388 HD21 LEU 44 3HD2 LEU 44 -7.853 -5.824 5.583 389 HD22 LEU 44 1HD2 LEU 44 -8.081 -4.368 6.557 390 HD23 LEU 44 2HD2 LEU 44 -6.587 -4.594 5.650 391 H TRP 45 H TRP 45 -4.882 -6.579 2.412 392 HA TRP 45 HA TRP 45 -5.268 -6.506 -0.508 393 HB2 TRP 45 2HB TRP 45 -3.038 -5.534 -0.156 394 HB3 TRP 45 1HB TRP 45 -2.568 -6.878 0.883 395 HD1 TRP 45 HD1 TRP 45 -3.563 -6.296 -2.850 396 HE1 TRP 45 HE1 TRP 45 -2.332 -8.038 -4.281 397 HE3 TRP 45 HE3 TRP 45 -1.264 -8.901 0.847 398 HZ2 TRP 45 HZ2 TRP 45 -0.616 -10.232 -3.893 399 HZ3 TRP 45 HZ3 TRP 45 0.174 -10.808 0.255 400 HH2 TRP 45 HH2 TRP 45 0.491 -11.470 -2.073 401 H LYS 46 H LYS 46 -5.964 -8.399 -1.216 402 HA LYS 46 HA LYS 46 -6.072 -10.777 0.408 403 HB2 LYS 46 2HB LYS 46 -7.953 -10.316 -1.069 404 HB3 LYS 46 1HB LYS 46 -6.898 -10.218 -2.473 405 HG2 LYS 46 2HG LYS 46 -8.105 -12.323 -2.522 406 HG3 LYS 46 1HG LYS 46 -6.398 -12.643 -2.259 407 HD2 LYS 46 2HD LYS 46 -7.720 -14.110 -0.842 408 HD3 LYS 46 1HD LYS 46 -6.860 -12.954 0.173 409 HE2 LYS 46 2HE LYS 46 -8.928 -11.614 0.388 410 HE3 LYS 46 1HE LYS 46 -9.784 -12.779 -0.629 411 HZ1 LYS 46 3HZ LYS 46 -8.489 -13.432 1.957 412 HZ2 LYS 46 1HZ LYS 46 -9.408 -14.474 1.005 413 HZ3 LYS 46 2HZ LYS 46 -10.140 -13.150 1.753 414 H SER 47 H SER 47 -4.493 -12.160 0.539 415 HA SER 47 HA SER 47 -2.225 -12.215 -1.269 416 HB2 SER 47 2HB SER 47 -2.766 -14.031 1.123 417 HB3 SER 47 1HB SER 47 -1.213 -13.695 0.368 418 HG SER 47 HG SER 47 -2.182 -11.373 1.041 419 HA PRO 48 HA PRO 48 -3.934 -15.498 -3.924 420 HB2 PRO 48 2HB PRO 48 -1.507 -16.657 -4.749 421 HB3 PRO 48 1HB PRO 48 -2.246 -15.218 -5.474 422 HG2 PRO 48 2HG PRO 48 -0.070 -15.380 -3.419 423 HG3 PRO 48 1HG PRO 48 -0.210 -14.304 -4.829 424 HD2 PRO 48 2HD PRO 48 -0.768 -13.404 -2.361 425 HD3 PRO 48 1HD PRO 48 -1.736 -12.874 -3.758 426 H SER 49 H SER 49 -1.867 -16.165 -1.205 427 HA SER 49 HA SER 49 -2.346 -19.026 -1.135 428 HB2 SER 49 2HB SER 49 -0.235 -17.984 -0.280 429 HB3 SER 49 1HB SER 49 -1.158 -17.201 1.002 430 HG SER 49 HG SER 49 -1.116 -20.006 0.585 431 H GLY 50 H GLY 50 -4.561 -16.742 -0.802 432 HA2 GLY 50 2HA GLY 50 -6.699 -16.787 0.043 433 HA3 GLY 50 1HA GLY 50 -6.347 -18.347 0.774 434 H LYS 51 H LYS 51 -4.763 -15.213 1.239 435 HA LYS 51 HA LYS 51 -5.539 -15.182 4.107 436 HB2 LYS 51 2HB LYS 51 -2.848 -14.395 2.896 437 HB3 LYS 51 1HB LYS 51 -3.276 -14.213 4.591 438 HG2 LYS 51 2HG LYS 51 -3.018 -16.846 3.094 439 HG3 LYS 51 1HG LYS 51 -1.823 -16.168 4.206 440 HD2 LYS 51 2HD LYS 51 -3.446 -16.325 6.060 441 HD3 LYS 51 1HD LYS 51 -4.664 -16.969 4.956 442 HE2 LYS 51 2HE LYS 51 -3.247 -18.959 4.569 443 HE3 LYS 51 1HE LYS 51 -2.033 -18.309 5.677 444 HZ1 LYS 51 3HZ LYS 51 -3.432 -19.907 6.789 445 HZ2 LYS 51 1HZ LYS 51 -4.824 -19.048 6.374 446 HZ3 LYS 51 2HZ LYS 51 -3.705 -18.375 7.447 447 H ILE 52 H ILE 52 -5.233 -12.912 5.035 448 HA ILE 52 HA ILE 52 -5.683 -10.740 3.071 449 HB ILE 52 HB ILE 52 -7.263 -11.063 5.684 450 HG12 ILE 52 2HG1 ILE 52 -8.237 -11.222 2.794 451 HG13 ILE 52 1HG1 ILE 52 -8.031 -12.596 3.869 452 HG21 ILE 52 1HG2 ILE 52 -6.776 -8.678 5.205 453 HG22 ILE 52 2HG2 ILE 52 -8.492 -9.015 4.993 454 HG23 ILE 52 3HG2 ILE 52 -7.449 -8.853 3.581 455 HD11 ILE 52 3HD1 ILE 52 -9.781 -11.684 5.332 456 HD12 ILE 52 1HD1 ILE 52 -10.336 -12.011 3.693 457 HD13 ILE 52 2HD1 ILE 52 -10.012 -10.353 4.192 458 H LEU 53 H LEU 53 -3.850 -9.634 3.285 459 HA LEU 53 HA LEU 53 -2.502 -9.278 5.822 460 HB2 LEU 53 2HB LEU 53 -1.894 -8.026 3.116 461 HB3 LEU 53 1HB LEU 53 -0.859 -7.983 4.537 462 HG LEU 53 HG LEU 53 -1.482 -10.332 2.737 463 HD11 LEU 53 1HD1 LEU 53 1.152 -9.131 3.623 464 HD12 LEU 53 2HD1 LEU 53 0.351 -8.848 2.073 465 HD13 LEU 53 3HD1 LEU 53 0.922 -10.463 2.484 466 HD21 LEU 53 3HD2 LEU 53 -0.145 -10.519 5.451 467 HD22 LEU 53 1HD2 LEU 53 -0.240 -11.809 4.257 468 HD23 LEU 53 2HD2 LEU 53 -1.712 -11.204 5.010 469 H LYS 54 H LYS 54 -2.949 -7.697 7.170 470 HA LYS 54 HA LYS 54 -4.433 -5.283 6.327 471 HB2 LYS 54 2HB LYS 54 -3.924 -6.348 9.140 472 HB3 LYS 54 1HB LYS 54 -5.011 -5.035 8.687 473 HG2 LYS 54 2HG LYS 54 -6.505 -6.581 7.554 474 HG3 LYS 54 1HG LYS 54 -5.370 -7.914 7.796 475 HD2 LYS 54 2HD LYS 54 -7.214 -8.036 9.417 476 HD3 LYS 54 1HD LYS 54 -5.677 -7.757 10.237 477 HE2 LYS 54 2HE LYS 54 -6.239 -5.348 10.433 478 HE3 LYS 54 1HE LYS 54 -7.785 -5.649 9.635 479 HZ1 LYS 54 3HZ LYS 54 -8.078 -5.589 11.997 480 HZ2 LYS 54 1HZ LYS 54 -6.896 -6.773 12.235 481 HZ3 LYS 54 2HZ LYS 54 -8.345 -7.167 11.462 482 H GLY 55 H GLY 55 -3.386 -3.333 6.411 483 HA2 GLY 55 2HA GLY 55 -0.802 -3.040 7.799 484 HA3 GLY 55 1HA GLY 55 -0.838 -2.830 6.051 485 H LYS 56 H LYS 56 0.072 -0.711 7.202 486 HA LYS 56 HA LYS 56 -2.042 1.256 6.828 487 HB2 LYS 56 2HB LYS 56 -2.258 0.768 9.211 488 HB3 LYS 56 1HB LYS 56 -0.538 1.031 9.472 489 HG2 LYS 56 2HG LYS 56 -0.722 3.358 9.323 490 HG3 LYS 56 1HG LYS 56 -2.188 3.296 8.347 491 HD2 LYS 56 2HD LYS 56 -2.044 2.594 11.308 492 HD3 LYS 56 1HD LYS 56 -2.586 4.143 10.654 493 HE2 LYS 56 2HE LYS 56 -4.396 2.907 9.405 494 HE3 LYS 56 1HE LYS 56 -3.907 1.437 10.255 495 HZ1 LYS 56 3HZ LYS 56 -4.451 2.487 12.343 496 HZ2 LYS 56 1HZ LYS 56 -5.787 2.549 11.309 497 HZ3 LYS 56 2HZ LYS 56 -4.850 3.929 11.560 498 H ILE 57 H ILE 57 -1.319 3.038 5.884 499 HA ILE 57 HA ILE 57 1.348 3.245 4.896 500 HB ILE 57 HB ILE 57 -0.871 5.348 4.894 501 HG12 ILE 57 2HG1 ILE 57 -0.115 3.348 2.714 502 HG13 ILE 57 1HG1 ILE 57 -1.511 3.197 3.774 503 HG21 ILE 57 1HG2 ILE 57 1.652 5.198 3.190 504 HG22 ILE 57 2HG2 ILE 57 1.334 6.368 4.470 505 HG23 ILE 57 3HG2 ILE 57 0.362 6.386 2.998 506 HD11 ILE 57 3HD1 ILE 57 -2.415 5.285 2.831 507 HD12 ILE 57 1HD1 ILE 57 -2.186 4.011 1.633 508 HD13 ILE 57 2HD1 ILE 57 -1.041 5.348 1.720 509 H VAL 58 H VAL 58 2.955 3.631 6.321 510 HA VAL 58 HA VAL 58 2.581 5.371 8.653 511 HB VAL 58 HB VAL 58 4.783 4.543 9.429 512 HG11 VAL 58 1HG1 VAL 58 4.160 2.174 9.802 513 HG12 VAL 58 2HG1 VAL 58 2.942 2.291 8.528 514 HG13 VAL 58 3HG1 VAL 58 2.771 3.246 10.003 515 HG21 VAL 58 3HG2 VAL 58 5.924 4.283 7.252 516 HG22 VAL 58 1HG2 VAL 58 4.875 2.921 6.848 517 HG23 VAL 58 2HG2 VAL 58 6.023 2.789 8.186 518 H ARG 59 H ARG 59 4.350 5.359 5.590 519 HA ARG 59 HA ARG 59 4.953 8.153 5.733 520 HB2 ARG 59 2HB ARG 59 6.724 7.271 7.256 521 HB3 ARG 59 1HB ARG 59 7.297 6.203 5.980 522 HG2 ARG 59 2HG ARG 59 8.160 8.027 4.691 523 HG3 ARG 59 1HG ARG 59 7.266 9.221 5.636 524 HD2 ARG 59 2HD ARG 59 9.575 7.527 6.666 525 HD3 ARG 59 1HD ARG 59 9.667 9.231 6.197 526 HE ARG 59 HE ARG 59 7.784 9.431 8.014 527 HH11 ARG 59 1HH1 ARG 59 10.680 7.456 8.273 528 HH12 ARG 59 2HH1 ARG 59 10.738 7.560 10.003 529 HH21 ARG 59 1HH2 ARG 59 7.850 9.530 10.265 530 HH22 ARG 59 2HH2 ARG 59 9.130 8.738 11.131 531 H VAL 60 H VAL 60 5.718 8.939 3.714 532 HA VAL 60 HA VAL 60 5.262 7.117 1.440 533 HB VAL 60 HB VAL 60 4.956 9.085 0.064 534 HG11 VAL 60 1HG1 VAL 60 3.561 9.445 2.742 535 HG12 VAL 60 2HG1 VAL 60 3.039 8.400 1.418 536 HG13 VAL 60 3HG1 VAL 60 3.034 10.150 1.209 537 HG21 VAL 60 3HG2 VAL 60 5.175 11.415 0.925 538 HG22 VAL 60 1HG2 VAL 60 6.723 10.565 0.940 539 HG23 VAL 60 2HG2 VAL 60 5.827 10.790 2.443 540 H HIS 61 H HIS 61 6.645 7.608 -0.539 541 HA HIS 61 HA HIS 61 9.466 8.217 0.110 542 HB2 HIS 61 2HB HIS 61 9.337 5.784 -0.157 543 HB3 HIS 61 1HB HIS 61 8.456 5.947 -1.677 544 HD1 HIS 61 HD1 HIS 61 9.856 5.920 -3.739 545 HD2 HIS 61 HD2 HIS 61 12.104 6.915 -0.379 546 HE1 HIS 61 HE1 HIS 61 12.224 6.099 -4.537 547 HE2 HIS 61 HE2 HIS 61 13.543 6.811 -2.520 548 H GLY 62 H GLY 62 9.918 10.046 -0.888 549 HA2 GLY 62 2HA GLY 62 10.346 11.565 -2.531 550 HA3 GLY 62 1HA GLY 62 9.987 10.302 -3.702 551 H THR 63 H THR 63 9.005 11.864 -5.034 552 HA THR 63 HA THR 63 6.441 13.048 -4.186 553 HB THR 63 HB THR 63 6.751 14.436 -6.331 554 HG1 THR 63 HG1 THR 63 8.594 14.255 -7.433 555 HG21 THR 63 3HG2 THR 63 7.264 15.398 -4.109 556 HG22 THR 63 1HG2 THR 63 8.381 15.992 -5.338 557 HG23 THR 63 2HG2 THR 63 8.902 14.744 -4.203 558 H LYS 64 H LYS 64 7.234 10.215 -5.368 559 HA LYS 64 HA LYS 64 5.817 10.169 -7.912 560 HB2 LYS 64 2HB LYS 64 7.276 7.973 -6.381 561 HB3 LYS 64 1HB LYS 64 6.620 7.799 -8.008 562 HG2 LYS 64 2HG LYS 64 8.800 9.748 -7.190 563 HG3 LYS 64 1HG LYS 64 9.059 8.211 -8.021 564 HD2 LYS 64 2HD LYS 64 7.920 8.995 -10.005 565 HD3 LYS 64 1HD LYS 64 7.341 10.445 -9.178 566 HE2 LYS 64 2HE LYS 64 10.254 9.829 -9.784 567 HE3 LYS 64 1HE LYS 64 9.221 10.918 -10.712 568 HZ1 LYS 64 3HZ LYS 64 10.612 12.110 -9.136 569 HZ2 LYS 64 1HZ LYS 64 9.930 11.253 -7.855 570 HZ3 LYS 64 2HZ LYS 64 8.979 12.308 -8.763 571 H GLY 65 H GLY 65 4.674 10.107 -4.833 572 HA2 GLY 65 2HA GLY 65 2.575 9.579 -4.016 573 HA3 GLY 65 1HA GLY 65 2.177 8.857 -5.561 574 H ALA 66 H ALA 66 5.042 7.491 -4.561 575 HA ALA 66 HA ALA 66 3.834 4.953 -4.007 576 HB1 ALA 66 3HB ALA 66 5.918 5.117 -5.312 577 HB2 ALA 66 1HB ALA 66 6.165 4.138 -3.863 578 HB3 ALA 66 2HB ALA 66 6.752 5.803 -3.917 579 H VAL 67 H VAL 67 3.157 4.334 -2.063 580 HA VAL 67 HA VAL 67 4.041 5.725 0.379 581 HB VAL 67 HB VAL 67 1.956 4.872 1.411 582 HG11 VAL 67 1HG1 VAL 67 1.866 7.047 0.266 583 HG12 VAL 67 2HG1 VAL 67 0.318 6.210 0.137 584 HG13 VAL 67 3HG1 VAL 67 1.417 6.252 -1.246 585 HG21 VAL 67 3HG2 VAL 67 1.695 2.747 0.196 586 HG22 VAL 67 1HG2 VAL 67 1.339 3.618 -1.298 587 HG23 VAL 67 2HG2 VAL 67 0.220 3.705 0.068 588 H ARG 68 H ARG 68 4.640 4.581 2.200 589 HA ARG 68 HA ARG 68 5.356 1.729 1.921 590 HB2 ARG 68 2HB ARG 68 6.222 3.742 4.055 591 HB3 ARG 68 1HB ARG 68 6.779 2.076 3.920 592 HG2 ARG 68 2HG ARG 68 7.932 2.573 1.845 593 HG3 ARG 68 1HG ARG 68 7.280 4.214 1.824 594 HD2 ARG 68 2HD ARG 68 8.549 4.775 3.841 595 HD3 ARG 68 1HD ARG 68 9.122 3.107 3.972 596 HE ARG 68 HE ARG 68 10.234 3.495 1.765 597 HH11 ARG 68 1HH1 ARG 68 9.649 6.230 3.898 598 HH12 ARG 68 2HH1 ARG 68 10.967 7.159 3.261 599 HH21 ARG 68 1HH2 ARG 68 11.960 4.678 0.972 600 HH22 ARG 68 2HH2 ARG 68 12.281 6.266 1.593 601 H ALA 69 H ALA 69 3.561 0.615 2.452 602 HA ALA 69 HA ALA 69 2.074 1.303 4.917 603 HB1 ALA 69 3HB ALA 69 0.689 1.116 2.888 604 HB2 ALA 69 1HB ALA 69 0.300 -0.174 4.028 605 HB3 ALA 69 2HB ALA 69 1.288 -0.521 2.605 606 H ARG 70 H ARG 70 2.675 0.167 6.677 607 HA ARG 70 HA ARG 70 4.270 -2.275 6.392 608 HB2 ARG 70 2HB ARG 70 3.518 -0.763 8.927 609 HB3 ARG 70 1HB ARG 70 4.655 -2.105 8.812 610 HG2 ARG 70 2HG ARG 70 5.976 -0.573 7.195 611 HG3 ARG 70 1HG ARG 70 4.972 0.730 7.838 612 HD2 ARG 70 2HD ARG 70 6.957 -1.021 9.311 613 HD3 ARG 70 1HD ARG 70 6.989 0.728 9.116 614 HE ARG 70 HE ARG 70 5.318 0.941 10.786 615 HH11 ARG 70 1HH1 ARG 70 6.271 -2.422 10.370 616 HH12 ARG 70 2HH1 ARG 70 5.627 -2.918 11.900 617 HH21 ARG 70 1HH2 ARG 70 4.504 0.264 12.818 618 HH22 ARG 70 2HH2 ARG 70 4.630 -1.404 13.283 619 H PHE 71 H PHE 71 3.318 -4.169 6.398 620 HA PHE 71 HA PHE 71 0.591 -4.516 7.441 621 HB2 PHE 71 2HB PHE 71 2.267 -6.128 5.472 622 HB3 PHE 71 1HB PHE 71 0.720 -6.694 6.095 623 HD1 PHE 71 HD1 PHE 71 2.220 -3.718 4.344 624 HD2 PHE 71 HD2 PHE 71 -1.231 -6.143 4.914 625 HE1 PHE 71 HE1 PHE 71 1.038 -2.472 2.577 626 HE2 PHE 71 HE2 PHE 71 -2.400 -4.907 3.145 627 HZ PHE 71 HZ PHE 71 -1.265 -3.071 1.975 628 H GLU 72 H GLU 72 0.177 -5.741 9.152 629 HA GLU 72 HA GLU 72 1.991 -6.390 11.129 630 HB2 GLU 72 2HB GLU 72 0.085 -7.784 12.097 631 HB3 GLU 72 1HB GLU 72 -0.331 -6.122 11.690 632 HG2 GLU 72 2HG GLU 72 -1.463 -6.830 9.666 633 HG3 GLU 72 1HG GLU 72 -0.910 -8.487 9.880 634 H LYS 73 H LYS 73 0.620 -8.505 8.661 635 HA LYS 73 HA LYS 73 2.184 -10.841 9.468 636 HB2 LYS 73 2HB LYS 73 0.172 -10.422 7.216 637 HB3 LYS 73 1HB LYS 73 0.932 -11.963 7.601 638 HG2 LYS 73 2HG LYS 73 -0.822 -10.401 9.523 639 HG3 LYS 73 1HG LYS 73 -1.410 -11.700 8.482 640 HD2 LYS 73 2HD LYS 73 -0.003 -13.330 9.612 641 HD3 LYS 73 1HD LYS 73 0.808 -12.067 10.541 642 HE2 LYS 73 2HE LYS 73 -2.147 -12.737 10.783 643 HE3 LYS 73 1HE LYS 73 -0.889 -13.358 11.849 644 HZ1 LYS 73 3HZ LYS 73 -1.565 -10.492 11.477 645 HZ2 LYS 73 1HZ LYS 73 -0.374 -11.094 12.512 646 HZ3 LYS 73 2HZ LYS 73 -2.004 -11.442 12.803 647 H GLY 74 H GLY 74 1.765 -8.683 6.635 648 HA2 GLY 74 2HA GLY 74 3.174 -7.974 4.985 649 HA3 GLY 74 1HA GLY 74 4.482 -8.303 6.107 650 H LEU 75 H LEU 75 2.223 -10.627 4.629 651 HA LEU 75 HA LEU 75 4.288 -12.470 3.990 652 HB2 LEU 75 2HB LEU 75 1.352 -12.378 3.204 653 HB3 LEU 75 1HB LEU 75 2.412 -13.692 2.716 654 HG LEU 75 HG LEU 75 1.743 -12.964 5.599 655 HD11 LEU 75 1HD1 LEU 75 0.787 -15.322 3.938 656 HD12 LEU 75 2HD1 LEU 75 -0.190 -13.937 4.433 657 HD13 LEU 75 3HD1 LEU 75 0.446 -15.040 5.648 658 HD21 LEU 75 3HD2 LEU 75 2.904 -15.069 6.179 659 HD22 LEU 75 1HD2 LEU 75 3.996 -13.904 5.428 660 HD23 LEU 75 2HD2 LEU 75 3.386 -15.271 4.492 661 HA PRO 76 HA PRO 76 5.456 -10.686 0.019 662 HB2 PRO 76 2HB PRO 76 7.239 -12.574 -0.790 663 HB3 PRO 76 1HB PRO 76 7.584 -11.528 0.606 664 HG2 PRO 76 2HG PRO 76 6.554 -14.354 0.589 665 HG3 PRO 76 1HG PRO 76 7.834 -13.639 1.592 666 HD2 PRO 76 2HD PRO 76 5.282 -13.984 2.498 667 HD3 PRO 76 1HD PRO 76 6.342 -12.677 3.069 668 H GLY 77 H GLY 77 5.670 -11.505 -2.342 669 HA2 GLY 77 2HA GLY 77 4.375 -13.796 -3.309 670 HA3 GLY 77 1HA GLY 77 3.173 -12.508 -3.227 671 H GLN 78 H GLN 78 4.132 -13.821 -5.607 672 HA GLN 78 HA GLN 78 5.554 -11.677 -7.045 673 HB2 GLN 78 2HB GLN 78 5.592 -13.247 -8.955 674 HB3 GLN 78 1HB GLN 78 6.303 -13.946 -7.506 675 HG2 GLN 78 2HG GLN 78 4.308 -15.296 -7.122 676 HG3 GLN 78 1HG GLN 78 3.495 -14.537 -8.488 677 HE21 GLN 78 1HE2 GLN 78 5.981 -16.807 -7.543 678 HE22 GLN 78 2HE2 GLN 78 6.195 -17.523 -9.101 679 H ALA 79 H ALA 79 2.823 -11.394 -5.941 680 HA ALA 79 HA ALA 79 1.060 -11.072 -8.244 681 HB1 ALA 79 3HB ALA 79 0.631 -10.505 -5.283 682 HB2 ALA 79 1HB ALA 79 0.141 -11.965 -6.148 683 HB3 ALA 79 2HB ALA 79 -0.615 -10.419 -6.533 684 H LEU 80 H LEU 80 3.558 -9.465 -8.006 685 HA LEU 80 HA LEU 80 3.079 -6.764 -7.338 686 HB2 LEU 80 2HB LEU 80 4.985 -7.881 -9.442 687 HB3 LEU 80 1HB LEU 80 5.080 -6.282 -8.712 688 HG LEU 80 HG LEU 80 5.570 -8.947 -7.321 689 HD11 LEU 80 1HD1 LEU 80 7.445 -8.220 -8.722 690 HD12 LEU 80 2HD1 LEU 80 7.858 -8.113 -7.014 691 HD13 LEU 80 3HD1 LEU 80 7.464 -6.647 -7.916 692 HD21 LEU 80 3HD2 LEU 80 6.104 -7.618 -5.305 693 HD22 LEU 80 1HD2 LEU 80 4.413 -7.466 -5.776 694 HD23 LEU 80 2HD2 LEU 80 5.546 -6.161 -6.128 695 H GLY 81 H GLY 81 1.510 -5.542 -8.212 696 HA2 GLY 81 2HA GLY 81 0.826 -4.349 -10.301 697 HA3 GLY 81 1HA GLY 81 0.704 -5.929 -11.057 698 H ASP 82 H ASP 82 -0.364 -6.724 -8.170 699 HA ASP 82 HA ASP 82 -3.129 -6.740 -8.943 700 HB2 ASP 82 2HB ASP 82 -1.994 -8.630 -7.732 701 HB3 ASP 82 1HB ASP 82 -1.860 -7.614 -6.302 702 H TYR 83 H TYR 83 -4.905 -6.012 -7.479 703 HA TYR 83 HA TYR 83 -4.485 -3.241 -6.695 704 HB2 TYR 83 2HB TYR 83 -6.993 -4.921 -7.056 705 HB3 TYR 83 1HB TYR 83 -7.034 -3.270 -6.441 706 HD1 TYR 83 HD1 TYR 83 -5.566 -5.150 -9.370 707 HD2 TYR 83 HD2 TYR 83 -7.474 -1.573 -8.011 708 HE1 TYR 83 HE1 TYR 83 -5.622 -4.313 -11.676 709 HE2 TYR 83 HE2 TYR 83 -7.529 -0.737 -10.326 710 HH TYR 83 HH TYR 83 -6.906 -2.714 -13.026 711 H VAL 84 H VAL 84 -4.306 -2.546 -4.685 712 HA VAL 84 HA VAL 84 -5.278 -4.147 -2.376 713 HB VAL 84 HB VAL 84 -3.923 -2.725 -0.942 714 HG11 VAL 84 1HG1 VAL 84 -2.681 -4.549 -1.989 715 HG12 VAL 84 2HG1 VAL 84 -1.626 -3.159 -1.748 716 HG13 VAL 84 3HG1 VAL 84 -2.259 -3.518 -3.358 717 HG21 VAL 84 3HG2 VAL 84 -4.250 -0.551 -2.027 718 HG22 VAL 84 1HG2 VAL 84 -3.235 -1.048 -3.387 719 HG23 VAL 84 2HG2 VAL 84 -2.529 -0.848 -1.780 720 H GLU 85 H GLU 85 -6.809 -3.158 -0.933 721 HA GLU 85 HA GLU 85 -8.071 -0.635 -1.850 722 HB2 GLU 85 2HB GLU 85 -9.181 -2.888 -0.118 723 HB3 GLU 85 1HB GLU 85 -9.995 -1.345 -0.353 724 HG2 GLU 85 2HG GLU 85 -11.038 -2.897 -1.823 725 HG3 GLU 85 1HG GLU 85 -10.065 -1.821 -2.821 726 H ILE 86 H ILE 86 -7.115 1.014 -0.836 727 HA ILE 86 HA ILE 86 -6.206 0.848 1.930 728 HB ILE 86 HB ILE 86 -6.229 3.285 0.061 729 HG12 ILE 86 2HG1 ILE 86 -3.902 1.389 0.675 730 HG13 ILE 86 1HG1 ILE 86 -4.839 1.356 -0.813 731 HG21 ILE 86 1HG2 ILE 86 -6.085 3.901 2.456 732 HG22 ILE 86 2HG2 ILE 86 -4.563 4.239 1.631 733 HG23 ILE 86 3HG2 ILE 86 -4.707 2.817 2.665 734 HD11 ILE 86 3HD1 ILE 86 -3.108 3.625 0.147 735 HD12 ILE 86 1HD1 ILE 86 -4.078 3.627 -1.328 736 HD13 ILE 86 2HD1 ILE 86 -2.746 2.485 -1.149 737 H VAL 87 H VAL 87 -8.034 0.553 3.075 738 HA VAL 87 HA VAL 87 -10.472 2.037 2.729 739 HB VAL 87 HB VAL 87 -9.598 0.126 4.957 740 HG11 VAL 87 1HG1 VAL 87 -11.999 -0.129 5.488 741 HG12 VAL 87 2HG1 VAL 87 -12.405 1.105 4.292 742 HG13 VAL 87 3HG1 VAL 87 -11.469 1.539 5.724 743 HG21 VAL 87 3HG2 VAL 87 -11.248 -0.401 2.455 744 HG22 VAL 87 1HG2 VAL 87 -10.925 -1.574 3.736 745 HG23 VAL 87 2HG2 VAL 87 -9.597 -0.955 2.752 746 H LEU 88 H LEU 88 -11.315 3.594 4.119 747 HA LEU 88 HA LEU 88 -9.517 5.393 5.435 748 HB2 LEU 88 2HB LEU 88 -12.509 5.231 5.033 749 HB3 LEU 88 1HB LEU 88 -11.875 6.383 6.191 750 HG LEU 88 HG LEU 88 -12.322 7.452 4.003 751 HD11 LEU 88 1HD1 LEU 88 -10.186 8.624 3.724 752 HD12 LEU 88 2HD1 LEU 88 -9.349 7.360 4.628 753 HD13 LEU 88 3HD1 LEU 88 -10.540 8.378 5.437 754 HD21 LEU 88 3HD2 LEU 88 -10.976 6.942 1.998 755 HD22 LEU 88 1HD2 LEU 88 -11.923 5.538 2.496 756 HD23 LEU 88 2HD2 LEU 88 -10.194 5.605 2.846 757 H GLU 89 H GLU 89 -10.885 6.184 7.763 758 HA GLU 89 HA GLU 89 -9.576 4.532 9.625 759 HB2 GLU 89 2HB GLU 89 -11.633 6.704 10.104 760 HB3 GLU 89 1HB GLU 89 -10.618 5.986 11.353 761 HG2 GLU 89 2HG GLU 89 -9.644 7.537 8.950 762 HG3 GLU 89 1HG GLU 89 -9.763 8.166 10.592 763 H HIS 90 H HIS 90 -10.336 2.460 9.435 764 HA HIS 90 HA HIS 90 -13.037 1.643 9.820 765 HB2 HIS 90 2HB HIS 90 -11.397 0.288 8.562 766 HB3 HIS 90 1HB HIS 90 -10.424 0.080 10.008 767 HD1 HIS 90 HD1 HIS 90 -13.532 -1.166 8.318 768 HD2 HIS 90 HD2 HIS 90 -11.359 -1.904 11.793 769 HE1 HIS 90 HE1 HIS 90 -14.415 -3.331 9.239 770 HE2 HIS 90 HE2 HIS 90 -13.205 -3.662 11.412 771 H HIS 91 H HIS 91 -13.728 2.688 11.680 772 HA HIS 91 HA HIS 91 -12.501 2.155 14.270 773 HB2 HIS 91 2HB HIS 91 -13.349 4.413 13.921 774 HB3 HIS 91 1HB HIS 91 -14.937 3.811 13.455 775 HD1 HIS 91 HD1 HIS 91 -16.621 3.707 15.267 776 HD2 HIS 91 HD2 HIS 91 -12.753 3.768 16.789 777 HE1 HIS 91 HE1 HIS 91 -16.877 3.775 17.766 778 HE2 HIS 91 HE2 HIS 91 -14.532 3.643 18.655 Start of MODEL 17 1 H1 MET 1 1H MET 1 -15.333 5.337 1.622 2 H2 MET 1 2H MET 1 -15.212 5.118 -0.044 3 H3 MET 1 3H MET 1 -15.963 6.498 0.581 4 HA MET 1 HA MET 1 -13.777 6.997 -0.239 5 HB2 MET 1 2HB MET 1 -13.997 7.151 2.802 6 HB3 MET 1 1HB MET 1 -12.886 8.105 1.823 7 HG2 MET 1 2HG MET 1 -15.913 8.254 1.771 8 HG3 MET 1 1HG MET 1 -14.808 9.459 2.442 9 HE1 MET 1 3HE MET 1 -16.280 11.234 -0.783 10 HE2 MET 1 1HE MET 1 -16.068 11.366 0.962 11 HE3 MET 1 2HE MET 1 -17.145 10.137 0.292 12 H ARG 2 H ARG 2 -12.972 4.972 -1.024 13 HA ARG 2 HA ARG 2 -10.647 3.993 0.518 14 HB2 ARG 2 2HB ARG 2 -12.319 2.227 -1.339 15 HB3 ARG 2 1HB ARG 2 -10.925 1.735 -0.381 16 HG2 ARG 2 2HG ARG 2 -12.246 2.087 1.691 17 HG3 ARG 2 1HG ARG 2 -13.640 2.553 0.709 18 HD2 ARG 2 2HD ARG 2 -12.288 -0.164 0.822 19 HD3 ARG 2 1HD ARG 2 -13.918 0.245 1.360 20 HE ARG 2 HE ARG 2 -13.007 0.124 -1.461 21 HH11 ARG 2 1HH1 ARG 2 -15.652 -0.069 0.862 22 HH12 ARG 2 2HH1 ARG 2 -16.815 -0.547 -0.332 23 HH21 ARG 2 1HH2 ARG 2 -14.540 -0.527 -2.995 24 HH22 ARG 2 2HH2 ARG 2 -16.185 -0.803 -2.510 25 H ILE 3 H ILE 3 -8.770 4.192 -0.668 26 HA ILE 3 HA ILE 3 -8.987 5.007 -3.511 27 HB ILE 3 HB ILE 3 -6.649 5.385 -1.573 28 HG12 ILE 3 2HG1 ILE 3 -8.791 7.322 -2.578 29 HG13 ILE 3 1HG1 ILE 3 -8.512 6.824 -0.916 30 HG21 ILE 3 1HG2 ILE 3 -5.647 6.829 -3.315 31 HG22 ILE 3 2HG2 ILE 3 -6.982 6.448 -4.404 32 HG23 ILE 3 3HG2 ILE 3 -5.863 5.179 -3.908 33 HD11 ILE 3 3HD1 ILE 3 -7.758 9.084 -1.284 34 HD12 ILE 3 1HD1 ILE 3 -6.686 8.557 -2.581 35 HD13 ILE 3 2HD1 ILE 3 -6.388 8.040 -0.920 36 H LYS 4 H LYS 4 -8.007 3.824 -5.134 37 HA LYS 4 HA LYS 4 -7.329 1.046 -4.479 38 HB2 LYS 4 2HB LYS 4 -9.064 1.628 -6.218 39 HB3 LYS 4 1HB LYS 4 -7.801 2.366 -7.198 40 HG2 LYS 4 2HG LYS 4 -6.703 0.185 -7.460 41 HG3 LYS 4 1HG LYS 4 -7.897 -0.557 -6.394 42 HD2 LYS 4 2HD LYS 4 -9.673 0.200 -8.102 43 HD3 LYS 4 1HD LYS 4 -8.337 0.572 -9.186 44 HE2 LYS 4 2HE LYS 4 -7.625 -1.783 -9.101 45 HE3 LYS 4 1HE LYS 4 -8.947 -2.156 -7.998 46 HZ1 LYS 4 3HZ LYS 4 -9.425 -2.762 -10.300 47 HZ2 LYS 4 1HZ LYS 4 -9.266 -1.149 -10.771 48 HZ3 LYS 4 2HZ LYS 4 -10.515 -1.605 -9.725 49 H GLY 5 H GLY 5 -5.231 0.362 -4.422 50 HA2 GLY 5 2HA GLY 5 -3.091 2.108 -5.548 51 HA3 GLY 5 1HA GLY 5 -2.938 1.184 -4.067 52 H VAL 6 H VAL 6 -1.007 0.965 -5.970 53 HA VAL 6 HA VAL 6 -1.403 -1.738 -7.150 54 HB VAL 6 HB VAL 6 0.373 0.481 -8.296 55 HG11 VAL 6 1HG1 VAL 6 1.255 -1.761 -8.775 56 HG12 VAL 6 2HG1 VAL 6 0.636 -1.025 -10.255 57 HG13 VAL 6 3HG1 VAL 6 -0.310 -2.263 -9.423 58 HG21 VAL 6 3HG2 VAL 6 -1.247 0.628 -10.171 59 HG22 VAL 6 1HG2 VAL 6 -1.977 1.085 -8.628 60 HG23 VAL 6 2HG2 VAL 6 -2.312 -0.499 -9.328 61 H VAL 7 H VAL 7 -0.069 -3.207 -6.212 62 HA VAL 7 HA VAL 7 2.076 -2.548 -4.444 63 HB VAL 7 HB VAL 7 1.530 -5.271 -5.725 64 HG11 VAL 7 1HG1 VAL 7 3.736 -5.125 -4.639 65 HG12 VAL 7 2HG1 VAL 7 2.671 -6.205 -3.741 66 HG13 VAL 7 3HG1 VAL 7 2.980 -4.576 -3.138 67 HG21 VAL 7 3HG2 VAL 7 0.162 -5.830 -3.752 68 HG22 VAL 7 1HG2 VAL 7 -0.530 -4.468 -4.637 69 HG23 VAL 7 2HG2 VAL 7 0.355 -4.188 -3.135 70 H LEU 8 H LEU 8 3.701 -1.421 -5.440 71 HA LEU 8 HA LEU 8 4.802 -2.055 -8.029 72 HB2 LEU 8 2HB LEU 8 5.952 -0.258 -5.853 73 HB3 LEU 8 1HB LEU 8 6.434 -0.285 -7.544 74 HG LEU 8 HG LEU 8 3.775 0.692 -6.432 75 HD11 LEU 8 1HD1 LEU 8 5.531 2.281 -6.044 76 HD12 LEU 8 2HD1 LEU 8 4.535 2.879 -7.364 77 HD13 LEU 8 3HD1 LEU 8 6.103 2.156 -7.707 78 HD21 LEU 8 3HD2 LEU 8 3.190 1.339 -8.739 79 HD22 LEU 8 1HD2 LEU 8 3.347 -0.408 -8.567 80 HD23 LEU 8 2HD2 LEU 8 4.633 0.521 -9.343 81 H SER 9 H SER 9 5.895 -2.429 -4.656 82 HA SER 9 HA SER 9 7.754 -4.570 -5.344 83 HB2 SER 9 2HB SER 9 8.734 -1.925 -4.175 84 HB3 SER 9 1HB SER 9 9.696 -3.405 -4.218 85 HG SER 9 HG SER 9 8.970 -3.211 -6.633 86 H TYR 10 H TYR 10 8.359 -5.844 -3.557 87 HA TYR 10 HA TYR 10 7.076 -5.271 -0.943 88 HB2 TYR 10 2HB TYR 10 8.344 -7.872 -1.948 89 HB3 TYR 10 1HB TYR 10 7.580 -7.651 -0.381 90 HD1 TYR 10 HD2 TYR 10 5.045 -7.171 -0.317 91 HD2 TYR 10 HD1 TYR 10 7.051 -8.542 -3.835 92 HE1 TYR 10 HE2 TYR 10 2.904 -7.903 -1.267 93 HE2 TYR 10 HE1 TYR 10 4.902 -9.271 -4.776 94 HH TYR 10 HH TYR 10 1.921 -8.333 -3.464 95 H ARG 11 H ARG 11 8.387 -4.807 0.797 96 HA ARG 11 HA ARG 11 11.102 -5.982 0.863 97 HB2 ARG 11 2HB ARG 11 11.020 -3.372 0.702 98 HB3 ARG 11 1HB ARG 11 10.315 -3.389 2.307 99 HG2 ARG 11 2HG ARG 11 13.067 -4.496 1.618 100 HG3 ARG 11 1HG ARG 11 12.774 -2.883 2.254 101 HD2 ARG 11 2HD ARG 11 11.811 -3.937 4.329 102 HD3 ARG 11 1HD ARG 11 12.257 -5.522 3.685 103 HE ARG 11 HE ARG 11 14.456 -3.661 3.819 104 HH11 ARG 11 1HH1 ARG 11 12.705 -6.122 5.668 105 HH12 ARG 11 2HH1 ARG 11 14.037 -6.402 6.748 106 HH21 ARG 11 1HH2 ARG 11 16.139 -4.037 5.281 107 HH22 ARG 11 2HH2 ARG 11 15.961 -5.226 6.525 108 H ARG 12 H ARG 12 10.604 -7.789 2.100 109 HA ARG 12 HA ARG 12 8.652 -7.604 4.279 110 HB2 ARG 12 2HB ARG 12 10.197 -10.001 3.205 111 HB3 ARG 12 1HB ARG 12 8.955 -10.065 4.457 112 HG2 ARG 12 2HG ARG 12 7.309 -9.155 2.803 113 HG3 ARG 12 1HG ARG 12 8.561 -9.259 1.558 114 HD2 ARG 12 2HD ARG 12 7.382 -11.567 3.143 115 HD3 ARG 12 1HD ARG 12 7.093 -11.208 1.439 116 HE ARG 12 HE ARG 12 9.631 -12.178 2.610 117 HH11 ARG 12 1HH1 ARG 12 7.612 -11.726 -0.242 118 HH12 ARG 12 2HH1 ARG 12 8.657 -12.651 -1.263 119 HH21 ARG 12 1HH2 ARG 12 10.983 -13.337 1.265 120 HH22 ARG 12 2HH2 ARG 12 10.566 -13.567 -0.396 121 H SER 13 H SER 13 9.145 -8.102 6.419 122 HA SER 13 HA SER 13 11.958 -7.804 7.250 123 HB2 SER 13 2HB SER 13 10.806 -5.551 7.083 124 HB3 SER 13 1HB SER 13 9.655 -6.090 8.305 125 HG SER 13 HG SER 13 12.419 -6.250 8.808 126 H LYS 14 H LYS 14 12.455 -8.800 9.140 127 HA LYS 14 HA LYS 14 10.459 -9.714 11.040 128 HB2 LYS 14 2HB LYS 14 10.581 -11.571 9.372 129 HB3 LYS 14 1HB LYS 14 12.318 -11.687 9.611 130 HG2 LYS 14 2HG LYS 14 11.188 -13.495 10.791 131 HG3 LYS 14 1HG LYS 14 11.938 -12.399 11.955 132 HD2 LYS 14 2HD LYS 14 9.624 -11.273 12.143 133 HD3 LYS 14 1HD LYS 14 8.988 -12.661 11.259 134 HE2 LYS 14 2HE LYS 14 10.427 -12.758 13.936 135 HE3 LYS 14 1HE LYS 14 8.690 -12.928 13.687 136 HZ1 LYS 14 3HZ LYS 14 10.805 -14.783 12.751 137 HZ2 LYS 14 1HZ LYS 14 9.177 -14.917 12.341 138 HZ3 LYS 14 2HZ LYS 14 9.654 -15.073 13.958 139 H GLU 15 H GLU 15 13.366 -8.300 10.370 140 HA GLU 15 HA GLU 15 15.202 -9.487 12.155 141 HB2 GLU 15 2HB GLU 15 15.282 -6.645 11.058 142 HB3 GLU 15 1HB GLU 15 16.628 -7.527 11.763 143 HG2 GLU 15 2HG GLU 15 17.186 -8.001 9.615 144 HG3 GLU 15 1HG GLU 15 15.939 -9.238 9.728 145 H ASN 16 H ASN 16 13.601 -6.299 12.403 146 HA ASN 16 HA ASN 16 13.608 -6.483 15.362 147 HB2 ASN 16 2HB ASN 16 14.664 -4.427 14.471 148 HB3 ASN 16 1HB ASN 16 13.224 -4.070 13.523 149 HD21 ASN 16 1HD2 ASN 16 13.394 -5.169 16.924 150 HD22 ASN 16 2HD2 ASN 16 12.672 -3.744 17.579 151 H GLN 17 H GLN 17 11.567 -5.162 12.744 152 HA GLN 17 HA GLN 17 9.089 -5.886 14.171 153 HB2 GLN 17 2HB GLN 17 9.520 -4.209 11.645 154 HB3 GLN 17 1HB GLN 17 7.976 -4.465 12.448 155 HG2 GLN 17 2HG GLN 17 10.360 -2.970 13.579 156 HG3 GLN 17 1HG GLN 17 8.869 -2.251 12.973 157 HE21 GLN 17 1HE2 GLN 17 6.921 -2.614 14.189 158 HE22 GLN 17 2HE2 GLN 17 6.990 -2.951 15.882 159 H HIS 18 H HIS 18 7.645 -7.358 13.338 160 HA HIS 18 HA HIS 18 8.510 -9.057 11.091 161 HB2 HIS 18 2HB HIS 18 6.762 -10.664 11.929 162 HB3 HIS 18 1HB HIS 18 8.016 -10.308 13.103 163 HD1 HIS 18 HD1 HIS 18 4.347 -9.922 12.493 164 HD2 HIS 18 HD2 HIS 18 7.135 -8.951 15.420 165 HE1 HIS 18 HE1 HIS 18 3.007 -9.267 14.514 166 HE2 HIS 18 HE2 HIS 18 4.717 -8.595 16.237 167 H ASN 19 H ASN 19 7.984 -7.219 9.657 168 HA ASN 19 HA ASN 19 5.086 -6.982 9.033 169 HB2 ASN 19 2HB ASN 19 7.165 -4.752 8.919 170 HB3 ASN 19 1HB ASN 19 5.491 -4.601 8.402 171 HD21 ASN 19 1HD2 ASN 19 4.510 -6.218 10.756 172 HD22 ASN 19 2HD2 ASN 19 4.635 -5.138 12.095 173 H ASN 20 H ASN 20 4.631 -7.753 7.061 174 HA ASN 20 HA ASN 20 6.488 -7.761 4.851 175 HB2 ASN 20 2HB ASN 20 4.612 -9.408 4.894 176 HB3 ASN 20 1HB ASN 20 3.436 -8.103 4.890 177 HD21 ASN 20 1HD2 ASN 20 3.204 -6.845 2.928 178 HD22 ASN 20 2HD2 ASN 20 3.660 -7.512 1.402 179 H VAL 21 H VAL 21 7.211 -5.675 4.602 180 HA VAL 21 HA VAL 21 5.362 -3.409 4.406 181 HB VAL 21 HB VAL 21 8.394 -3.369 3.983 182 HG11 VAL 21 1HG1 VAL 21 6.491 -1.185 4.879 183 HG12 VAL 21 2HG1 VAL 21 7.218 -1.337 3.278 184 HG13 VAL 21 3HG1 VAL 21 8.238 -1.015 4.681 185 HG21 VAL 21 3HG2 VAL 21 8.672 -2.796 6.385 186 HG22 VAL 21 1HG2 VAL 21 8.027 -4.426 6.164 187 HG23 VAL 21 2HG2 VAL 21 6.956 -3.112 6.650 188 H MET 22 H MET 22 5.152 -2.201 2.409 189 HA MET 22 HA MET 22 6.423 -3.188 -0.014 190 HB2 MET 22 2HB MET 22 4.315 -3.673 -1.218 191 HB3 MET 22 1HB MET 22 4.520 -4.749 0.153 192 HG2 MET 22 2HG MET 22 2.848 -3.558 1.419 193 HG3 MET 22 1HG MET 22 2.758 -2.294 0.195 194 HE1 MET 22 3HE MET 22 1.634 -5.929 1.209 195 HE2 MET 22 1HE MET 22 2.760 -6.303 -0.098 196 HE3 MET 22 2HE MET 22 1.031 -6.564 -0.322 197 H ILE 23 H ILE 23 6.461 -1.706 -1.638 198 HA ILE 23 HA ILE 23 5.547 1.015 -1.122 199 HB ILE 23 HB ILE 23 7.069 -0.103 -3.530 200 HG12 ILE 23 2HG1 ILE 23 8.412 -0.430 -1.491 201 HG13 ILE 23 1HG1 ILE 23 9.126 0.837 -2.473 202 HG21 ILE 23 1HG2 ILE 23 5.950 2.016 -4.066 203 HG22 ILE 23 2HG2 ILE 23 7.696 2.254 -3.986 204 HG23 ILE 23 3HG2 ILE 23 6.675 2.784 -2.648 205 HD11 ILE 23 3HD1 ILE 23 9.243 1.410 -0.146 206 HD12 ILE 23 1HD1 ILE 23 7.502 1.216 0.037 207 HD13 ILE 23 2HD1 ILE 23 8.145 2.523 -0.960 208 H ILE 24 H ILE 24 3.600 1.688 -1.819 209 HA ILE 24 HA ILE 24 2.140 0.201 -3.956 210 HB ILE 24 HB ILE 24 1.025 1.488 -1.418 211 HG12 ILE 24 2HG1 ILE 24 1.031 -1.459 -2.206 212 HG13 ILE 24 1HG1 ILE 24 2.133 -0.730 -1.044 213 HG21 ILE 24 1HG2 ILE 24 -0.538 1.822 -3.284 214 HG22 ILE 24 2HG2 ILE 24 -1.200 0.677 -2.119 215 HG23 ILE 24 3HG2 ILE 24 -0.513 0.089 -3.634 216 HD11 ILE 24 3HD1 ILE 24 0.219 -0.168 0.397 217 HD12 ILE 24 1HD1 ILE 24 0.363 -1.897 0.093 218 HD13 ILE 24 2HD1 ILE 24 -0.866 -0.957 -0.752 219 H LYS 25 H LYS 25 1.763 1.571 -5.733 220 HA LYS 25 HA LYS 25 1.528 4.476 -5.234 221 HB2 LYS 25 2HB LYS 25 3.072 3.854 -7.039 222 HB3 LYS 25 1HB LYS 25 1.777 3.017 -7.891 223 HG2 LYS 25 2HG LYS 25 0.562 5.170 -8.121 224 HG3 LYS 25 1HG LYS 25 1.882 5.998 -7.286 225 HD2 LYS 25 2HD LYS 25 3.424 5.417 -9.118 226 HD3 LYS 25 1HD LYS 25 2.143 4.508 -9.930 227 HE2 LYS 25 2HE LYS 25 0.842 6.579 -10.202 228 HE3 LYS 25 1HE LYS 25 2.103 7.490 -9.367 229 HZ1 LYS 25 3HZ LYS 25 2.307 7.726 -11.731 230 HZ2 LYS 25 1HZ LYS 25 2.407 6.053 -11.943 231 HZ3 LYS 25 2HZ LYS 25 3.637 6.875 -11.134 232 HA PRO 26 HA PRO 26 -2.988 3.790 -5.624 233 HB2 PRO 26 2HB PRO 26 -3.068 6.614 -4.694 234 HB3 PRO 26 1HB PRO 26 -3.855 5.181 -4.003 235 HG2 PRO 26 2HG PRO 26 -1.791 6.322 -2.757 236 HG3 PRO 26 1HG PRO 26 -1.978 4.552 -2.782 237 HD2 PRO 26 2HD PRO 26 -0.191 6.273 -4.503 238 HD3 PRO 26 1HD PRO 26 0.193 4.769 -3.635 239 H LEU 27 H LEU 27 -4.295 4.241 -7.299 240 HA LEU 27 HA LEU 27 -3.260 5.272 -9.695 241 HB2 LEU 27 2HB LEU 27 -6.147 4.656 -8.926 242 HB3 LEU 27 1HB LEU 27 -5.599 4.950 -10.572 243 HG LEU 27 HG LEU 27 -4.749 2.605 -8.816 244 HD11 LEU 27 1HD1 LEU 27 -6.579 2.647 -11.234 245 HD12 LEU 27 2HD1 LEU 27 -7.067 2.397 -9.556 246 HD13 LEU 27 3HD1 LEU 27 -6.046 1.207 -10.358 247 HD21 LEU 27 3HD2 LEU 27 -2.921 3.218 -10.310 248 HD22 LEU 27 1HD2 LEU 27 -4.009 3.210 -11.702 249 HD23 LEU 27 2HD2 LEU 27 -3.654 1.708 -10.844 250 H ASP 28 H ASP 28 -5.442 6.698 -7.303 251 HA ASP 28 HA ASP 28 -6.094 9.060 -8.826 252 HB2 ASP 28 2HB ASP 28 -7.656 8.076 -7.158 253 HB3 ASP 28 1HB ASP 28 -6.512 8.410 -5.865 254 H VAL 29 H VAL 29 -3.580 8.177 -6.621 255 HA VAL 29 HA VAL 29 -2.966 10.913 -5.772 256 HB VAL 29 HB VAL 29 -2.013 8.162 -4.900 257 HG11 VAL 29 1HG1 VAL 29 -0.753 9.247 -3.087 258 HG12 VAL 29 2HG1 VAL 29 -1.105 10.824 -3.787 259 HG13 VAL 29 3HG1 VAL 29 -0.116 9.674 -4.674 260 HG21 VAL 29 3HG2 VAL 29 -3.181 8.708 -2.784 261 HG22 VAL 29 1HG2 VAL 29 -4.287 8.760 -4.159 262 HG23 VAL 29 2HG2 VAL 29 -3.680 10.264 -3.454 263 H ASN 30 H ASN 30 -1.602 12.076 -6.970 264 HA ASN 30 HA ASN 30 0.293 10.788 -8.843 265 HB2 ASN 30 2HB ASN 30 -0.806 13.641 -8.815 266 HB3 ASN 30 1HB ASN 30 0.341 13.027 -9.997 267 HD21 ASN 30 1HD2 ASN 30 -2.694 11.650 -8.681 268 HD22 ASN 30 2HD2 ASN 30 -3.457 11.488 -10.220 269 H SER 31 H SER 31 0.128 12.915 -6.057 270 HA SER 31 HA SER 31 3.029 13.525 -6.256 271 HB2 SER 31 2HB SER 31 2.578 15.708 -5.256 272 HB3 SER 31 1HB SER 31 1.553 15.514 -6.672 273 HG SER 31 HG SER 31 -0.151 15.614 -5.447 274 H ARG 32 H ARG 32 4.035 14.085 -4.140 275 HA ARG 32 HA ARG 32 3.803 12.019 -2.242 276 HB2 ARG 32 2HB ARG 32 5.923 13.234 -2.547 277 HB3 ARG 32 1HB ARG 32 5.183 14.731 -1.995 278 HG2 ARG 32 2HG ARG 32 4.870 13.709 0.265 279 HG3 ARG 32 1HG ARG 32 5.669 12.245 -0.309 280 HD2 ARG 32 2HD ARG 32 7.758 13.483 -0.650 281 HD3 ARG 32 1HD ARG 32 6.956 14.997 -0.204 282 HE ARG 32 HE ARG 32 6.798 12.936 1.814 283 HH11 ARG 32 1HH1 ARG 32 8.743 15.654 0.689 284 HH12 ARG 32 2HH1 ARG 32 9.504 15.877 2.233 285 HH21 ARG 32 1HH2 ARG 32 7.774 13.295 3.828 286 HH22 ARG 32 2HH2 ARG 32 8.960 14.555 3.992 287 H GLU 33 H GLU 33 2.474 15.322 -2.311 288 HA GLU 33 HA GLU 33 1.603 15.492 0.378 289 HB2 GLU 33 2HB GLU 33 0.495 16.880 -2.105 290 HB3 GLU 33 1HB GLU 33 0.117 17.333 -0.439 291 HG2 GLU 33 2HG GLU 33 2.545 17.806 -0.059 292 HG3 GLU 33 1HG GLU 33 2.848 17.448 -1.760 293 H GLU 34 H GLU 34 -0.089 14.469 -2.574 294 HA GLU 34 HA GLU 34 -2.574 13.750 -1.382 295 HB2 GLU 34 2HB GLU 34 -1.302 12.690 -3.935 296 HB3 GLU 34 1HB GLU 34 -3.003 12.548 -3.496 297 HG2 GLU 34 2HG GLU 34 -3.267 14.983 -3.640 298 HG3 GLU 34 1HG GLU 34 -1.549 15.155 -4.022 299 H ALA 35 H ALA 35 0.498 12.148 -1.588 300 HA ALA 35 HA ALA 35 -0.447 9.519 -0.803 301 HB1 ALA 35 3HB ALA 35 2.361 10.670 -0.996 302 HB2 ALA 35 1HB ALA 35 1.518 9.766 -2.255 303 HB3 ALA 35 2HB ALA 35 1.968 8.970 -0.745 304 H SER 36 H SER 36 0.655 12.444 0.759 305 HA SER 36 HA SER 36 1.371 11.205 3.271 306 HB2 SER 36 2HB SER 36 1.120 14.149 2.537 307 HB3 SER 36 1HB SER 36 1.792 13.518 4.044 308 HG SER 36 HG SER 36 2.851 12.535 1.665 309 H LYS 37 H LYS 37 -1.553 12.728 1.940 310 HA LYS 37 HA LYS 37 -3.042 12.915 4.341 311 HB2 LYS 37 2HB LYS 37 -5.066 12.857 3.014 312 HB3 LYS 37 1HB LYS 37 -3.867 13.763 2.104 313 HG2 LYS 37 2HG LYS 37 -3.496 11.894 0.607 314 HG3 LYS 37 1HG LYS 37 -4.503 10.839 1.588 315 HD2 LYS 37 2HD LYS 37 -5.785 11.430 -0.346 316 HD3 LYS 37 1HD LYS 37 -6.481 12.307 1.012 317 HE2 LYS 37 2HE LYS 37 -4.544 13.550 -0.977 318 HE3 LYS 37 1HE LYS 37 -6.298 13.611 -1.147 319 HZ1 LYS 37 3HZ LYS 37 -6.384 14.762 1.018 320 HZ2 LYS 37 1HZ LYS 37 -5.535 15.623 -0.165 321 HZ3 LYS 37 2HZ LYS 37 -4.695 14.805 1.045 322 H LEU 38 H LEU 38 -1.821 10.171 2.672 323 HA LEU 38 HA LEU 38 -3.782 8.271 3.660 324 HB2 LEU 38 2HB LEU 38 -1.278 7.851 1.991 325 HB3 LEU 38 1HB LEU 38 -2.471 6.614 2.355 326 HG LEU 38 HG LEU 38 -2.978 9.118 0.694 327 HD11 LEU 38 1HD1 LEU 38 -2.733 6.228 -0.193 328 HD12 LEU 38 2HD1 LEU 38 -1.566 7.519 -0.491 329 HD13 LEU 38 3HD1 LEU 38 -3.166 7.601 -1.221 330 HD21 LEU 38 3HD2 LEU 38 -4.999 8.468 1.902 331 HD22 LEU 38 1HD2 LEU 38 -4.849 6.806 1.322 332 HD23 LEU 38 2HD2 LEU 38 -5.176 8.118 0.186 333 H ILE 39 H ILE 39 -1.143 9.690 5.136 334 HA ILE 39 HA ILE 39 0.127 7.379 6.287 335 HB ILE 39 HB ILE 39 0.194 10.264 7.297 336 HG12 ILE 39 2HG1 ILE 39 1.034 10.229 5.016 337 HG13 ILE 39 1HG1 ILE 39 2.415 10.384 6.092 338 HG21 ILE 39 1HG2 ILE 39 0.931 8.690 9.040 339 HG22 ILE 39 2HG2 ILE 39 2.305 9.620 8.441 340 HG23 ILE 39 3HG2 ILE 39 2.078 7.949 7.918 341 HD11 ILE 39 3HD1 ILE 39 2.821 7.941 5.802 342 HD12 ILE 39 1HD1 ILE 39 2.960 8.893 4.326 343 HD13 ILE 39 2HD1 ILE 39 1.520 7.924 4.608 344 H GLY 40 H GLY 40 -1.107 6.033 7.444 345 HA2 GLY 40 2HA GLY 40 -1.902 5.607 9.732 346 HA3 GLY 40 1HA GLY 40 -2.839 7.092 9.637 347 H ARG 41 H ARG 41 -3.147 5.783 6.609 348 HA ARG 41 HA ARG 41 -5.815 4.800 7.133 349 HB2 ARG 41 2HB ARG 41 -4.260 4.568 4.521 350 HB3 ARG 41 1HB ARG 41 -6.003 4.429 4.727 351 HG2 ARG 41 2HG ARG 41 -4.363 6.942 5.121 352 HG3 ARG 41 1HG ARG 41 -5.327 6.565 3.700 353 HD2 ARG 41 2HD ARG 41 -7.369 6.760 4.965 354 HD3 ARG 41 1HD ARG 41 -6.475 6.905 6.484 355 HE ARG 41 HE ARG 41 -5.578 8.959 4.854 356 HH11 ARG 41 1HH1 ARG 41 -8.675 8.074 6.280 357 HH12 ARG 41 2HH1 ARG 41 -9.230 9.710 6.362 358 HH21 ARG 41 1HH2 ARG 41 -6.303 11.077 5.026 359 HH22 ARG 41 2HH2 ARG 41 -7.887 11.411 5.651 360 H LEU 42 H LEU 42 -6.562 2.685 6.688 361 HA LEU 42 HA LEU 42 -4.697 0.502 7.274 362 HB2 LEU 42 2HB LEU 42 -6.870 0.656 8.479 363 HB3 LEU 42 1HB LEU 42 -7.731 0.594 6.951 364 HG LEU 42 HG LEU 42 -6.808 -1.753 6.611 365 HD11 LEU 42 1HD1 LEU 42 -4.870 -1.642 8.082 366 HD12 LEU 42 2HD1 LEU 42 -5.921 -2.979 8.535 367 HD13 LEU 42 3HD1 LEU 42 -5.918 -1.496 9.494 368 HD21 LEU 42 3HD2 LEU 42 -9.090 -1.404 7.383 369 HD22 LEU 42 1HD2 LEU 42 -8.541 -1.332 9.060 370 HD23 LEU 42 2HD2 LEU 42 -8.394 -2.833 8.141 371 H VAL 43 H VAL 43 -4.376 -1.236 5.797 372 HA VAL 43 HA VAL 43 -5.391 -0.883 3.037 373 HB VAL 43 HB VAL 43 -2.570 -1.839 3.747 374 HG11 VAL 43 1HG1 VAL 43 -3.450 -2.844 1.676 375 HG12 VAL 43 2HG1 VAL 43 -2.153 -1.705 1.310 376 HG13 VAL 43 3HG1 VAL 43 -3.836 -1.239 1.045 377 HG21 VAL 43 3HG2 VAL 43 -2.783 0.584 4.205 378 HG22 VAL 43 1HG2 VAL 43 -3.397 0.845 2.570 379 HG23 VAL 43 2HG2 VAL 43 -1.738 0.292 2.811 380 H LEU 44 H LEU 44 -6.693 -2.538 2.640 381 HA LEU 44 HA LEU 44 -6.225 -5.208 3.788 382 HB2 LEU 44 2HB LEU 44 -8.654 -4.079 2.331 383 HB3 LEU 44 1HB LEU 44 -8.543 -5.691 3.020 384 HG LEU 44 HG LEU 44 -8.531 -3.077 4.588 385 HD11 LEU 44 1HD1 LEU 44 -10.672 -5.220 4.396 386 HD12 LEU 44 2HD1 LEU 44 -10.736 -3.609 3.677 387 HD13 LEU 44 3HD1 LEU 44 -10.722 -3.786 5.428 388 HD21 LEU 44 3HD2 LEU 44 -8.610 -4.469 6.621 389 HD22 LEU 44 1HD2 LEU 44 -7.121 -4.733 5.715 390 HD23 LEU 44 2HD2 LEU 44 -8.421 -5.927 5.643 391 H TRP 45 H TRP 45 -4.810 -6.259 2.530 392 HA TRP 45 HA TRP 45 -5.370 -6.546 -0.368 393 HB2 TRP 45 2HB TRP 45 -3.263 -5.340 -0.120 394 HB3 TRP 45 1HB TRP 45 -2.676 -6.505 1.062 395 HD1 TRP 45 HD1 TRP 45 -3.698 -6.497 -2.713 396 HE1 TRP 45 HE1 TRP 45 -2.209 -8.188 -3.939 397 HE3 TRP 45 HE3 TRP 45 -1.077 -8.314 1.273 398 HZ2 TRP 45 HZ2 TRP 45 -0.181 -10.038 -3.299 399 HZ3 TRP 45 HZ3 TRP 45 0.641 -10.041 0.879 400 HH2 TRP 45 HH2 TRP 45 1.076 -10.889 -1.372 401 H LYS 46 H LYS 46 -5.705 -8.599 -1.015 402 HA LYS 46 HA LYS 46 -5.700 -10.761 0.946 403 HB2 LYS 46 2HB LYS 46 -7.696 -10.382 -0.488 404 HB3 LYS 46 1HB LYS 46 -6.719 -10.664 -1.923 405 HG2 LYS 46 2HG LYS 46 -6.269 -13.014 -0.997 406 HG3 LYS 46 1HG LYS 46 -7.509 -12.673 0.210 407 HD2 LYS 46 2HD LYS 46 -8.466 -13.948 -1.658 408 HD3 LYS 46 1HD LYS 46 -9.175 -12.332 -1.598 409 HE2 LYS 46 2HE LYS 46 -7.762 -11.600 -3.459 410 HE3 LYS 46 1HE LYS 46 -6.903 -13.142 -3.455 411 HZ1 LYS 46 3HZ LYS 46 -9.780 -12.756 -4.103 412 HZ2 LYS 46 1HZ LYS 46 -8.985 -14.245 -4.043 413 HZ3 LYS 46 2HZ LYS 46 -8.541 -13.100 -5.201 414 H SER 47 H SER 47 -3.836 -11.850 1.167 415 HA SER 47 HA SER 47 -1.711 -12.034 -0.689 416 HB2 SER 47 2HB SER 47 -0.785 -13.719 0.896 417 HB3 SER 47 1HB SER 47 -1.422 -12.323 1.764 418 HG SER 47 HG SER 47 -3.453 -13.857 1.702 419 HA PRO 48 HA PRO 48 -2.981 -15.689 -3.166 420 HB2 PRO 48 2HB PRO 48 -0.518 -16.668 -3.899 421 HB3 PRO 48 1HB PRO 48 -1.214 -15.203 -4.623 422 HG2 PRO 48 2HG PRO 48 0.802 -15.415 -2.400 423 HG3 PRO 48 1HG PRO 48 0.819 -14.357 -3.830 424 HD2 PRO 48 2HD PRO 48 0.015 -13.442 -1.410 425 HD3 PRO 48 1HD PRO 48 -0.730 -12.861 -2.917 426 H SER 49 H SER 49 -1.219 -15.761 -0.229 427 HA SER 49 HA SER 49 -1.134 -18.570 0.247 428 HB2 SER 49 2HB SER 49 0.237 -16.906 1.517 429 HB3 SER 49 1HB SER 49 -1.230 -16.273 2.262 430 HG SER 49 HG SER 49 -0.267 -18.940 2.480 431 H GLY 50 H GLY 50 -3.611 -16.067 0.588 432 HA2 GLY 50 2HA GLY 50 -5.888 -17.060 0.170 433 HA3 GLY 50 1HA GLY 50 -5.587 -18.066 1.577 434 H LYS 51 H LYS 51 -4.250 -15.889 3.045 435 HA LYS 51 HA LYS 51 -6.569 -14.896 4.405 436 HB2 LYS 51 2HB LYS 51 -3.612 -14.258 4.822 437 HB3 LYS 51 1HB LYS 51 -4.902 -13.778 5.919 438 HG2 LYS 51 2HG LYS 51 -4.076 -16.632 5.295 439 HG3 LYS 51 1HG LYS 51 -3.662 -15.726 6.752 440 HD2 LYS 51 2HD LYS 51 -6.119 -15.552 7.275 441 HD3 LYS 51 1HD LYS 51 -6.452 -16.586 5.882 442 HE2 LYS 51 2HE LYS 51 -4.856 -17.351 8.355 443 HE3 LYS 51 1HE LYS 51 -6.484 -17.894 7.954 444 HZ1 LYS 51 3HZ LYS 51 -4.841 -19.570 7.433 445 HZ2 LYS 51 1HZ LYS 51 -4.021 -18.506 6.405 446 HZ3 LYS 51 2HZ LYS 51 -5.584 -19.027 6.016 447 H ILE 52 H ILE 52 -7.127 -12.687 4.782 448 HA ILE 52 HA ILE 52 -6.199 -10.696 2.807 449 HB ILE 52 HB ILE 52 -8.444 -10.506 4.882 450 HG12 ILE 52 2HG1 ILE 52 -8.583 -10.848 1.844 451 HG13 ILE 52 1HG1 ILE 52 -8.933 -12.100 3.028 452 HG21 ILE 52 1HG2 ILE 52 -7.668 -8.510 2.712 453 HG22 ILE 52 2HG2 ILE 52 -7.483 -8.274 4.453 454 HG23 ILE 52 3HG2 ILE 52 -9.096 -8.392 3.744 455 HD11 ILE 52 3HD1 ILE 52 -10.965 -11.203 2.104 456 HD12 ILE 52 1HD1 ILE 52 -10.523 -9.570 2.600 457 HD13 ILE 52 2HD1 ILE 52 -10.858 -10.805 3.817 458 H LEU 53 H LEU 53 -4.286 -9.922 3.421 459 HA LEU 53 HA LEU 53 -3.399 -9.668 6.133 460 HB2 LEU 53 2HB LEU 53 -2.139 -8.490 3.623 461 HB3 LEU 53 1HB LEU 53 -1.362 -8.711 5.183 462 HG LEU 53 HG LEU 53 -2.119 -10.835 3.156 463 HD11 LEU 53 1HD1 LEU 53 0.271 -11.378 3.217 464 HD12 LEU 53 2HD1 LEU 53 0.551 -10.092 4.394 465 HD13 LEU 53 3HD1 LEU 53 0.004 -9.696 2.763 466 HD21 LEU 53 3HD2 LEU 53 -1.347 -12.551 4.737 467 HD22 LEU 53 1HD2 LEU 53 -2.779 -11.720 5.335 468 HD23 LEU 53 2HD2 LEU 53 -1.193 -11.334 6.003 469 H LYS 54 H LYS 54 -3.370 -7.898 7.395 470 HA LYS 54 HA LYS 54 -4.604 -5.393 6.458 471 HB2 LYS 54 2HB LYS 54 -4.183 -6.422 9.296 472 HB3 LYS 54 1HB LYS 54 -4.984 -4.914 8.855 473 HG2 LYS 54 2HG LYS 54 -6.734 -6.253 7.648 474 HG3 LYS 54 1HG LYS 54 -5.960 -7.729 8.235 475 HD2 LYS 54 2HD LYS 54 -7.867 -7.160 9.668 476 HD3 LYS 54 1HD LYS 54 -6.364 -6.993 10.577 477 HE2 LYS 54 2HE LYS 54 -6.455 -4.504 10.092 478 HE3 LYS 54 1HE LYS 54 -8.057 -4.762 9.396 479 HZ1 LYS 54 3HZ LYS 54 -8.146 -4.036 11.704 480 HZ2 LYS 54 1HZ LYS 54 -7.282 -5.407 12.188 481 HZ3 LYS 54 2HZ LYS 54 -8.824 -5.567 11.516 482 H GLY 55 H GLY 55 -3.382 -3.642 6.274 483 HA2 GLY 55 2HA GLY 55 -0.747 -3.438 7.612 484 HA3 GLY 55 1HA GLY 55 -0.907 -3.158 5.880 485 H LYS 56 H LYS 56 0.153 -1.137 7.153 486 HA LYS 56 HA LYS 56 -1.919 0.926 7.016 487 HB2 LYS 56 2HB LYS 56 -1.826 0.393 9.419 488 HB3 LYS 56 1HB LYS 56 -0.080 0.615 9.434 489 HG2 LYS 56 2HG LYS 56 -0.302 3.001 9.047 490 HG3 LYS 56 1HG LYS 56 -2.033 2.848 8.739 491 HD2 LYS 56 2HD LYS 56 -0.673 2.304 11.411 492 HD3 LYS 56 1HD LYS 56 -1.542 3.784 10.995 493 HE2 LYS 56 2HE LYS 56 -3.629 2.499 10.726 494 HE3 LYS 56 1HE LYS 56 -2.771 1.002 11.102 495 HZ1 LYS 56 3HZ LYS 56 -2.294 1.875 13.304 496 HZ2 LYS 56 1HZ LYS 56 -3.958 1.855 13.017 497 HZ3 LYS 56 2HZ LYS 56 -3.107 3.310 12.939 498 H ILE 57 H ILE 57 -1.228 2.570 5.871 499 HA ILE 57 HA ILE 57 1.406 2.798 4.808 500 HB ILE 57 HB ILE 57 -0.897 4.804 4.834 501 HG12 ILE 57 2HG1 ILE 57 -0.033 2.904 2.604 502 HG13 ILE 57 1HG1 ILE 57 -1.351 2.574 3.720 503 HG21 ILE 57 1HG2 ILE 57 1.627 4.828 3.130 504 HG22 ILE 57 2HG2 ILE 57 1.230 5.972 4.415 505 HG23 ILE 57 3HG2 ILE 57 0.258 5.927 2.944 506 HD11 ILE 57 3HD1 ILE 57 -2.225 3.343 1.639 507 HD12 ILE 57 1HD1 ILE 57 -1.233 4.801 1.696 508 HD13 ILE 57 2HD1 ILE 57 -2.528 4.564 2.877 509 H VAL 58 H VAL 58 2.952 3.069 6.296 510 HA VAL 58 HA VAL 58 2.607 4.746 8.665 511 HB VAL 58 HB VAL 58 4.888 3.872 9.307 512 HG11 VAL 58 1HG1 VAL 58 4.146 1.549 9.767 513 HG12 VAL 58 2HG1 VAL 58 2.828 1.738 8.609 514 HG13 VAL 58 3HG1 VAL 58 2.857 2.715 10.078 515 HG21 VAL 58 3HG2 VAL 58 5.907 2.034 7.996 516 HG22 VAL 58 1HG2 VAL 58 5.816 3.517 7.039 517 HG23 VAL 58 2HG2 VAL 58 4.659 2.212 6.759 518 H ARG 59 H ARG 59 4.287 4.841 5.596 519 HA ARG 59 HA ARG 59 4.900 7.641 5.854 520 HB2 ARG 59 2HB ARG 59 6.832 6.508 7.058 521 HB3 ARG 59 1HB ARG 59 7.257 5.714 5.546 522 HG2 ARG 59 2HG ARG 59 7.790 7.838 4.505 523 HG3 ARG 59 1HG ARG 59 7.153 8.734 5.883 524 HD2 ARG 59 2HD ARG 59 8.976 7.761 7.304 525 HD3 ARG 59 1HD ARG 59 9.629 6.973 5.863 526 HE ARG 59 HE ARG 59 10.373 9.018 5.060 527 HH11 ARG 59 1HH1 ARG 59 8.583 9.530 8.049 528 HH12 ARG 59 2HH1 ARG 59 9.134 11.161 8.242 529 HH21 ARG 59 1HH2 ARG 59 11.039 11.180 5.301 530 HH22 ARG 59 2HH2 ARG 59 10.527 12.097 6.685 531 H VAL 60 H VAL 60 5.826 8.479 3.768 532 HA VAL 60 HA VAL 60 4.668 7.061 1.462 533 HB VAL 60 HB VAL 60 4.973 9.191 0.228 534 HG11 VAL 60 1HG1 VAL 60 2.914 8.885 1.542 535 HG12 VAL 60 2HG1 VAL 60 3.379 10.586 1.480 536 HG13 VAL 60 3HG1 VAL 60 3.682 9.641 2.942 537 HG21 VAL 60 3HG2 VAL 60 6.232 10.255 2.791 538 HG22 VAL 60 1HG2 VAL 60 5.770 11.249 1.405 539 HG23 VAL 60 2HG2 VAL 60 7.043 10.033 1.238 540 H HIS 61 H HIS 61 5.924 7.218 -0.629 541 HA HIS 61 HA HIS 61 8.856 7.098 -0.328 542 HB2 HIS 61 2HB HIS 61 7.959 4.740 -0.265 543 HB3 HIS 61 1HB HIS 61 7.229 4.995 -1.848 544 HD1 HIS 61 HD1 HIS 61 10.589 4.653 -0.162 545 HD2 HIS 61 HD2 HIS 61 9.018 4.736 -4.011 546 HE1 HIS 61 HE1 HIS 61 12.471 3.988 -1.676 547 HE2 HIS 61 HE2 HIS 61 11.475 3.939 -3.982 548 H GLY 62 H GLY 62 9.337 8.881 -1.467 549 HA2 GLY 62 2HA GLY 62 9.896 10.059 -3.357 550 HA3 GLY 62 1HA GLY 62 9.017 8.890 -4.333 551 H THR 63 H THR 63 8.736 11.248 -5.244 552 HA THR 63 HA THR 63 6.377 12.611 -4.140 553 HB THR 63 HB THR 63 6.941 14.403 -5.807 554 HG1 THR 63 HG1 THR 63 8.680 14.189 -7.135 555 HG21 THR 63 3HG2 THR 63 9.292 13.586 -4.047 556 HG22 THR 63 1HG2 THR 63 7.893 14.527 -3.516 557 HG23 THR 63 2HG2 THR 63 9.007 15.195 -4.711 558 H LYS 64 H LYS 64 6.810 10.052 -6.128 559 HA LYS 64 HA LYS 64 5.094 10.822 -8.357 560 HB2 LYS 64 2HB LYS 64 6.642 8.290 -7.695 561 HB3 LYS 64 1HB LYS 64 5.477 8.325 -9.013 562 HG2 LYS 64 2HG LYS 64 7.642 8.666 -9.969 563 HG3 LYS 64 1HG LYS 64 6.782 10.205 -10.047 564 HD2 LYS 64 2HD LYS 64 8.040 10.942 -7.988 565 HD3 LYS 64 1HD LYS 64 8.957 9.433 -8.056 566 HE2 LYS 64 2HE LYS 64 8.922 11.618 -10.165 567 HE3 LYS 64 1HE LYS 64 10.248 11.252 -9.061 568 HZ1 LYS 64 3HZ LYS 64 9.221 9.509 -11.237 569 HZ2 LYS 64 1HZ LYS 64 10.408 9.049 -10.125 570 HZ3 LYS 64 2HZ LYS 64 10.704 10.316 -11.199 571 H GLY 65 H GLY 65 4.240 10.312 -5.352 572 HA2 GLY 65 2HA GLY 65 2.033 10.108 -4.621 573 HA3 GLY 65 1HA GLY 65 1.617 9.238 -6.089 574 H ALA 66 H ALA 66 4.288 7.679 -5.319 575 HA ALA 66 HA ALA 66 2.974 5.406 -4.262 576 HB1 ALA 66 3HB ALA 66 5.951 5.976 -4.521 577 HB2 ALA 66 1HB ALA 66 4.928 5.202 -5.734 578 HB3 ALA 66 2HB ALA 66 5.233 4.396 -4.195 579 H VAL 67 H VAL 67 3.049 4.526 -2.259 580 HA VAL 67 HA VAL 67 4.007 6.082 0.049 581 HB VAL 67 HB VAL 67 2.117 5.161 1.355 582 HG11 VAL 67 1HG1 VAL 67 1.144 6.578 -1.148 583 HG12 VAL 67 2HG1 VAL 67 1.771 7.342 0.315 584 HG13 VAL 67 3HG1 VAL 67 0.253 6.444 0.374 585 HG21 VAL 67 3HG2 VAL 67 1.088 3.933 -1.234 586 HG22 VAL 67 1HG2 VAL 67 0.241 3.942 0.315 587 HG23 VAL 67 2HG2 VAL 67 1.747 3.041 0.137 588 H ARG 68 H ARG 68 3.741 4.267 2.040 589 HA ARG 68 HA ARG 68 4.942 1.712 1.267 590 HB2 ARG 68 2HB ARG 68 6.825 3.341 1.630 591 HB3 ARG 68 1HB ARG 68 6.255 3.607 3.275 592 HG2 ARG 68 2HG ARG 68 6.683 1.219 3.795 593 HG3 ARG 68 1HG ARG 68 7.266 0.972 2.147 594 HD2 ARG 68 2HD ARG 68 9.146 1.230 3.685 595 HD3 ARG 68 1HD ARG 68 9.089 2.600 2.566 596 HE ARG 68 HE ARG 68 7.686 3.086 5.026 597 HH11 ARG 68 1HH1 ARG 68 10.879 3.231 3.554 598 HH12 ARG 68 2HH1 ARG 68 11.478 4.391 4.693 599 HH21 ARG 68 1HH2 ARG 68 8.513 4.524 6.551 600 HH22 ARG 68 2HH2 ARG 68 10.132 5.121 6.392 601 H ALA 69 H ALA 69 3.532 0.337 2.156 602 HA ALA 69 HA ALA 69 2.233 0.935 4.750 603 HB1 ALA 69 3HB ALA 69 0.440 -0.589 4.023 604 HB2 ALA 69 1HB ALA 69 1.310 -0.922 2.520 605 HB3 ALA 69 2HB ALA 69 0.688 0.698 2.844 606 H ARG 70 H ARG 70 2.838 -0.244 6.470 607 HA ARG 70 HA ARG 70 4.338 -2.755 6.213 608 HB2 ARG 70 2HB ARG 70 3.588 -1.073 8.648 609 HB3 ARG 70 1HB ARG 70 4.451 -2.608 8.746 610 HG2 ARG 70 2HG ARG 70 6.269 -1.586 7.348 611 HG3 ARG 70 1HG ARG 70 5.435 -0.037 7.488 612 HD2 ARG 70 2HD ARG 70 5.676 -0.065 9.899 613 HD3 ARG 70 1HD ARG 70 6.344 -1.703 9.860 614 HE ARG 70 HE ARG 70 7.990 -0.149 8.278 615 HH11 ARG 70 1HH1 ARG 70 7.070 -0.259 11.664 616 HH12 ARG 70 2HH1 ARG 70 8.565 0.423 12.219 617 HH21 ARG 70 1HH2 ARG 70 9.921 0.821 9.009 618 HH22 ARG 70 2HH2 ARG 70 10.179 1.033 10.712 619 H PHE 71 H PHE 71 3.109 -4.570 5.975 620 HA PHE 71 HA PHE 71 0.516 -4.847 7.294 621 HB2 PHE 71 2HB PHE 71 2.088 -6.705 5.447 622 HB3 PHE 71 1HB PHE 71 0.525 -7.116 6.149 623 HD1 PHE 71 HD1 PHE 71 2.121 -4.356 4.118 624 HD2 PHE 71 HD2 PHE 71 -1.400 -6.650 4.892 625 HE1 PHE 71 HE1 PHE 71 0.965 -3.224 2.270 626 HE2 PHE 71 HE2 PHE 71 -2.538 -5.522 3.034 627 HZ PHE 71 HZ PHE 71 -1.358 -3.808 1.725 628 H GLU 72 H GLU 72 0.345 -5.607 9.281 629 HA GLU 72 HA GLU 72 2.627 -6.335 10.842 630 HB2 GLU 72 2HB GLU 72 0.951 -6.574 12.697 631 HB3 GLU 72 1HB GLU 72 0.860 -5.036 11.843 632 HG2 GLU 72 2HG GLU 72 -1.119 -5.784 10.615 633 HG3 GLU 72 1HG GLU 72 -1.005 -7.382 11.349 634 H LYS 73 H LYS 73 0.393 -8.156 9.011 635 HA LYS 73 HA LYS 73 0.447 -10.654 10.379 636 HB2 LYS 73 2HB LYS 73 -0.164 -10.032 7.460 637 HB3 LYS 73 1HB LYS 73 -0.534 -11.550 8.273 638 HG2 LYS 73 2HG LYS 73 -1.746 -8.831 8.866 639 HG3 LYS 73 1HG LYS 73 -2.543 -10.182 8.065 640 HD2 LYS 73 2HD LYS 73 -1.600 -10.181 10.964 641 HD3 LYS 73 1HD LYS 73 -3.249 -9.868 10.437 642 HE2 LYS 73 2HE LYS 73 -3.240 -12.128 11.156 643 HE3 LYS 73 1HE LYS 73 -3.224 -12.213 9.400 644 HZ1 LYS 73 3HZ LYS 73 -1.693 -13.777 10.540 645 HZ2 LYS 73 1HZ LYS 73 -0.790 -12.460 11.086 646 HZ3 LYS 73 2HZ LYS 73 -0.920 -12.771 9.429 647 H GLY 74 H GLY 74 2.045 -9.566 7.358 648 HA2 GLY 74 2HA GLY 74 4.191 -9.904 6.632 649 HA3 GLY 74 1HA GLY 74 4.539 -10.821 8.082 650 H LEU 75 H LEU 75 2.099 -11.420 5.492 651 HA LEU 75 HA LEU 75 3.365 -14.023 4.927 652 HB2 LEU 75 2HB LEU 75 0.649 -12.912 4.133 653 HB3 LEU 75 1HB LEU 75 1.299 -14.384 3.433 654 HG LEU 75 HG LEU 75 0.520 -13.931 6.339 655 HD11 LEU 75 1HD1 LEU 75 -1.363 -14.387 4.842 656 HD12 LEU 75 2HD1 LEU 75 -1.094 -15.736 5.941 657 HD13 LEU 75 3HD1 LEU 75 -0.572 -15.853 4.257 658 HD21 LEU 75 3HD2 LEU 75 1.890 -16.356 5.132 659 HD22 LEU 75 1HD2 LEU 75 1.202 -16.267 6.758 660 HD23 LEU 75 2HD2 LEU 75 2.569 -15.246 6.325 661 HA PRO 76 HA PRO 76 5.051 -12.363 1.089 662 HB2 PRO 76 2HB PRO 76 6.296 -14.551 0.180 663 HB3 PRO 76 1HB PRO 76 6.749 -13.878 1.762 664 HG2 PRO 76 2HG PRO 76 5.010 -16.251 1.163 665 HG3 PRO 76 1HG PRO 76 6.265 -16.066 2.407 666 HD2 PRO 76 2HD PRO 76 3.510 -15.713 2.841 667 HD3 PRO 76 1HD PRO 76 4.802 -15.108 3.901 668 H GLY 77 H GLY 77 5.291 -13.248 -1.305 669 HA2 GLY 77 2HA GLY 77 3.864 -14.851 -2.816 670 HA3 GLY 77 1HA GLY 77 2.598 -13.702 -2.392 671 H GLN 78 H GLN 78 3.687 -14.240 -5.055 672 HA GLN 78 HA GLN 78 5.038 -11.701 -5.744 673 HB2 GLN 78 2HB GLN 78 6.048 -13.791 -6.642 674 HB3 GLN 78 1HB GLN 78 4.533 -14.183 -7.448 675 HG2 GLN 78 2HG GLN 78 4.797 -11.967 -8.726 676 HG3 GLN 78 1HG GLN 78 6.440 -11.908 -8.094 677 HE21 GLN 78 1HE2 GLN 78 5.493 -12.077 -10.844 678 HE22 GLN 78 2HE2 GLN 78 6.218 -13.491 -11.521 679 H ALA 79 H ALA 79 3.191 -10.383 -5.425 680 HA ALA 79 HA ALA 79 1.211 -10.475 -7.628 681 HB1 ALA 79 3HB ALA 79 0.190 -10.986 -5.424 682 HB2 ALA 79 1HB ALA 79 -0.446 -9.508 -6.144 683 HB3 ALA 79 2HB ALA 79 0.721 -9.413 -4.827 684 H LEU 80 H LEU 80 3.888 -9.192 -7.593 685 HA LEU 80 HA LEU 80 3.704 -6.380 -7.390 686 HB2 LEU 80 2HB LEU 80 5.365 -7.992 -9.378 687 HB3 LEU 80 1HB LEU 80 5.614 -6.297 -8.985 688 HG LEU 80 HG LEU 80 5.954 -8.611 -7.028 689 HD11 LEU 80 1HD1 LEU 80 8.348 -8.194 -7.161 690 HD12 LEU 80 2HD1 LEU 80 8.095 -6.931 -8.370 691 HD13 LEU 80 3HD1 LEU 80 7.708 -8.613 -8.750 692 HD21 LEU 80 3HD2 LEU 80 6.515 -5.647 -6.675 693 HD22 LEU 80 1HD2 LEU 80 6.935 -6.918 -5.522 694 HD23 LEU 80 2HD2 LEU 80 5.246 -6.582 -5.880 695 H GLY 81 H GLY 81 2.096 -5.251 -8.280 696 HA2 GLY 81 2HA GLY 81 1.288 -4.117 -10.297 697 HA3 GLY 81 1HA GLY 81 1.254 -5.678 -11.103 698 H ASP 82 H ASP 82 0.233 -6.074 -7.915 699 HA ASP 82 HA ASP 82 -2.534 -6.446 -8.773 700 HB2 ASP 82 2HB ASP 82 -1.247 -8.168 -7.391 701 HB3 ASP 82 1HB ASP 82 -1.353 -7.061 -6.028 702 H TYR 83 H TYR 83 -4.306 -5.768 -7.192 703 HA TYR 83 HA TYR 83 -3.875 -2.920 -6.567 704 HB2 TYR 83 2HB TYR 83 -6.329 -4.388 -7.592 705 HB3 TYR 83 1HB TYR 83 -6.347 -2.707 -7.067 706 HD1 TYR 83 HD2 TYR 83 -5.196 -0.957 -8.381 707 HD2 TYR 83 HD1 TYR 83 -5.270 -5.011 -9.753 708 HE1 TYR 83 HE2 TYR 83 -4.482 -0.218 -10.602 709 HE2 TYR 83 HE1 TYR 83 -4.538 -4.263 -11.982 710 HH TYR 83 HH TYR 83 -4.547 -2.236 -13.348 711 H VAL 84 H VAL 84 -4.102 -2.278 -4.561 712 HA VAL 84 HA VAL 84 -5.287 -4.037 -2.500 713 HB VAL 84 HB VAL 84 -4.057 -2.741 -0.848 714 HG11 VAL 84 1HG1 VAL 84 -2.207 -3.391 -3.167 715 HG12 VAL 84 2HG1 VAL 84 -2.779 -4.520 -1.940 716 HG13 VAL 84 3HG1 VAL 84 -1.719 -3.188 -1.480 717 HG21 VAL 84 3HG2 VAL 84 -3.134 -0.911 -3.099 718 HG22 VAL 84 1HG2 VAL 84 -2.580 -0.839 -1.422 719 HG23 VAL 84 2HG2 VAL 84 -4.264 -0.487 -1.811 720 H GLU 85 H GLU 85 -6.566 -3.042 -0.802 721 HA GLU 85 HA GLU 85 -8.215 -0.722 -1.616 722 HB2 GLU 85 2HB GLU 85 -8.670 -2.917 0.458 723 HB3 GLU 85 1HB GLU 85 -9.758 -1.550 0.229 724 HG2 GLU 85 2HG GLU 85 -9.106 -3.627 -1.884 725 HG3 GLU 85 1HG GLU 85 -10.545 -3.639 -0.866 726 H ILE 86 H ILE 86 -7.289 1.148 -0.850 727 HA ILE 86 HA ILE 86 -6.112 1.265 1.836 728 HB ILE 86 HB ILE 86 -6.532 3.479 -0.238 729 HG12 ILE 86 2HG1 ILE 86 -3.969 1.975 0.486 730 HG13 ILE 86 1HG1 ILE 86 -4.941 1.653 -0.945 731 HG21 ILE 86 1HG2 ILE 86 -6.404 4.405 2.052 732 HG22 ILE 86 2HG2 ILE 86 -4.973 4.839 1.115 733 HG23 ILE 86 3HG2 ILE 86 -4.884 3.550 2.318 734 HD11 ILE 86 3HD1 ILE 86 -3.016 2.964 -1.513 735 HD12 ILE 86 1HD1 ILE 86 -3.454 4.204 -0.337 736 HD13 ILE 86 2HD1 ILE 86 -4.475 3.923 -1.751 737 H VAL 87 H VAL 87 -7.800 0.852 3.172 738 HA VAL 87 HA VAL 87 -10.371 2.290 3.001 739 HB VAL 87 HB VAL 87 -9.604 -0.028 4.847 740 HG11 VAL 87 1HG1 VAL 87 -11.615 1.200 5.573 741 HG12 VAL 87 2HG1 VAL 87 -12.022 -0.435 5.047 742 HG13 VAL 87 3HG1 VAL 87 -12.355 0.940 3.991 743 HG21 VAL 87 3HG2 VAL 87 -10.691 -1.578 3.254 744 HG22 VAL 87 1HG2 VAL 87 -9.286 -0.785 2.533 745 HG23 VAL 87 2HG2 VAL 87 -10.914 -0.251 2.112 746 H LEU 88 H LEU 88 -11.165 3.516 4.833 747 HA LEU 88 HA LEU 88 -9.820 3.394 7.373 748 HB2 LEU 88 2HB LEU 88 -8.502 5.120 5.958 749 HB3 LEU 88 1HB LEU 88 -9.901 6.160 6.096 750 HG LEU 88 HG LEU 88 -8.005 6.663 7.705 751 HD11 LEU 88 1HD1 LEU 88 -10.223 7.517 8.205 752 HD12 LEU 88 2HD1 LEU 88 -9.356 7.097 9.680 753 HD13 LEU 88 3HD1 LEU 88 -10.625 6.032 9.071 754 HD21 LEU 88 3HD2 LEU 88 -7.312 4.351 8.176 755 HD22 LEU 88 1HD2 LEU 88 -8.811 4.073 9.065 756 HD23 LEU 88 2HD2 LEU 88 -7.632 5.245 9.660 757 H GLU 89 H GLU 89 -11.478 3.155 8.680 758 HA GLU 89 HA GLU 89 -14.146 4.020 8.218 759 HB2 GLU 89 2HB GLU 89 -12.840 3.216 10.866 760 HB3 GLU 89 1HB GLU 89 -14.569 3.281 10.546 761 HG2 GLU 89 2HG GLU 89 -12.547 1.336 9.413 762 HG3 GLU 89 1HG GLU 89 -13.885 0.981 10.504 763 H HIS 90 H HIS 90 -14.558 6.141 8.061 764 HA HIS 90 HA HIS 90 -12.909 8.173 9.156 765 HB2 HIS 90 2HB HIS 90 -14.198 8.386 7.012 766 HB3 HIS 90 1HB HIS 90 -15.690 8.475 7.945 767 HD1 HIS 90 HD1 HIS 90 -16.237 10.721 9.075 768 HD2 HIS 90 HD2 HIS 90 -12.535 10.698 7.185 769 HE1 HIS 90 HE1 HIS 90 -15.480 13.110 9.036 770 HE2 HIS 90 HE2 HIS 90 -13.347 13.085 7.715 771 H HIS 91 H HIS 91 -12.827 8.307 11.294 772 HA HIS 91 HA HIS 91 -15.271 8.692 12.908 773 HB2 HIS 91 2HB HIS 91 -13.710 8.348 14.892 774 HB3 HIS 91 1HB HIS 91 -13.921 6.943 13.859 775 HD1 HIS 91 HD1 HIS 91 -11.891 6.213 12.409 776 HD2 HIS 91 HD2 HIS 91 -11.073 9.278 15.088 777 HE1 HIS 91 HE1 HIS 91 -9.394 6.348 12.532 778 HE2 HIS 91 HE2 HIS 91 -8.926 8.108 14.260 Start of MODEL 18 1 H1 MET 1 1H MET 1 -15.841 2.824 -0.644 2 H2 MET 1 2H MET 1 -16.999 4.009 -0.308 3 H3 MET 1 3H MET 1 -16.064 3.363 0.939 4 HA MET 1 HA MET 1 -14.990 4.909 -1.324 5 HB2 MET 1 2HB MET 1 -16.416 6.326 0.132 6 HB3 MET 1 1HB MET 1 -15.537 5.776 1.547 7 HG2 MET 1 2HG MET 1 -13.480 6.854 0.617 8 HG3 MET 1 1HG MET 1 -14.470 7.507 -0.690 9 HE1 MET 1 3HE MET 1 -13.689 10.598 1.683 10 HE2 MET 1 1HE MET 1 -13.557 9.992 0.033 11 HE3 MET 1 2HE MET 1 -12.629 9.234 1.328 12 H ARG 2 H ARG 2 -13.180 3.639 -1.655 13 HA ARG 2 HA ARG 2 -11.044 4.109 0.243 14 HB2 ARG 2 2HB ARG 2 -10.192 1.865 0.421 15 HB3 ARG 2 1HB ARG 2 -11.858 1.846 0.963 16 HG2 ARG 2 2HG ARG 2 -11.054 0.947 -1.819 17 HG3 ARG 2 1HG ARG 2 -11.032 -0.133 -0.432 18 HD2 ARG 2 2HD ARG 2 -13.476 0.250 -0.118 19 HD3 ARG 2 1HD ARG 2 -13.479 1.275 -1.562 20 HE ARG 2 HE ARG 2 -12.349 -1.282 -2.117 21 HH11 ARG 2 1HH1 ARG 2 -15.498 0.242 -1.681 22 HH12 ARG 2 2HH1 ARG 2 -16.322 -0.939 -2.648 23 HH21 ARG 2 1HH2 ARG 2 -13.450 -2.803 -3.366 24 HH22 ARG 2 2HH2 ARG 2 -15.164 -2.660 -3.599 25 H ILE 3 H ILE 3 -8.910 3.685 -0.723 26 HA ILE 3 HA ILE 3 -8.930 4.509 -3.553 27 HB ILE 3 HB ILE 3 -6.780 4.672 -1.382 28 HG12 ILE 3 2HG1 ILE 3 -8.451 6.841 -2.736 29 HG13 ILE 3 1HG1 ILE 3 -8.705 6.225 -1.110 30 HG21 ILE 3 1HG2 ILE 3 -5.654 4.355 -3.550 31 HG22 ILE 3 2HG2 ILE 3 -5.409 5.999 -2.961 32 HG23 ILE 3 3HG2 ILE 3 -6.580 5.689 -4.243 33 HD11 ILE 3 3HD1 ILE 3 -7.632 8.378 -1.080 34 HD12 ILE 3 1HD1 ILE 3 -6.297 7.765 -2.054 35 HD13 ILE 3 2HD1 ILE 3 -6.562 7.142 -0.424 36 H LYS 4 H LYS 4 -7.998 3.302 -5.138 37 HA LYS 4 HA LYS 4 -7.193 0.545 -4.531 38 HB2 LYS 4 2HB LYS 4 -8.878 1.086 -6.325 39 HB3 LYS 4 1HB LYS 4 -7.628 1.948 -7.211 40 HG2 LYS 4 2HG LYS 4 -6.365 -0.167 -7.487 41 HG3 LYS 4 1HG LYS 4 -7.620 -1.026 -6.580 42 HD2 LYS 4 2HD LYS 4 -9.283 -0.266 -8.322 43 HD3 LYS 4 1HD LYS 4 -7.950 0.402 -9.246 44 HE2 LYS 4 2HE LYS 4 -7.022 -1.810 -9.559 45 HE3 LYS 4 1HE LYS 4 -8.253 -2.515 -8.510 46 HZ1 LYS 4 3HZ LYS 4 -8.786 -1.116 -11.075 47 HZ2 LYS 4 1HZ LYS 4 -9.941 -1.853 -10.086 48 HZ3 LYS 4 2HZ LYS 4 -8.773 -2.793 -10.861 49 H GLY 5 H GLY 5 -5.116 -0.210 -4.878 50 HA2 GLY 5 2HA GLY 5 -3.029 1.636 -5.913 51 HA3 GLY 5 1HA GLY 5 -2.832 0.836 -4.354 52 H VAL 6 H VAL 6 -0.841 0.275 -5.919 53 HA VAL 6 HA VAL 6 -1.307 -2.476 -6.931 54 HB VAL 6 HB VAL 6 0.501 -0.397 -8.278 55 HG11 VAL 6 1HG1 VAL 6 0.047 -3.303 -9.042 56 HG12 VAL 6 2HG1 VAL 6 1.535 -2.616 -8.387 57 HG13 VAL 6 3HG1 VAL 6 0.970 -2.129 -9.986 58 HG21 VAL 6 3HG2 VAL 6 -1.859 -0.007 -8.827 59 HG22 VAL 6 1HG2 VAL 6 -2.037 -1.689 -9.332 60 HG23 VAL 6 2HG2 VAL 6 -0.983 -0.601 -10.239 61 H VAL 7 H VAL 7 0.024 -3.903 -6.045 62 HA VAL 7 HA VAL 7 2.031 -3.354 -4.121 63 HB VAL 7 HB VAL 7 1.495 -5.942 -5.666 64 HG11 VAL 7 1HG1 VAL 7 3.652 -6.023 -4.486 65 HG12 VAL 7 2HG1 VAL 7 2.488 -7.120 -3.741 66 HG13 VAL 7 3HG1 VAL 7 2.860 -5.576 -2.972 67 HG21 VAL 7 3HG2 VAL 7 0.253 -4.987 -3.059 68 HG22 VAL 7 1HG2 VAL 7 0.016 -6.579 -3.786 69 HG23 VAL 7 2HG2 VAL 7 -0.565 -5.134 -4.617 70 H LEU 8 H LEU 8 3.772 -2.194 -4.861 71 HA LEU 8 HA LEU 8 5.042 -2.727 -7.415 72 HB2 LEU 8 2HB LEU 8 5.734 -0.771 -5.194 73 HB3 LEU 8 1HB LEU 8 6.650 -0.912 -6.684 74 HG LEU 8 HG LEU 8 3.762 0.001 -6.429 75 HD11 LEU 8 1HD1 LEU 8 6.253 1.526 -7.277 76 HD12 LEU 8 2HD1 LEU 8 5.376 1.711 -5.756 77 HD13 LEU 8 3HD1 LEU 8 4.602 2.156 -7.274 78 HD21 LEU 8 3HD2 LEU 8 5.402 -0.420 -8.954 79 HD22 LEU 8 1HD2 LEU 8 3.830 0.379 -8.875 80 HD23 LEU 8 2HD2 LEU 8 3.966 -1.324 -8.458 81 H SER 9 H SER 9 6.153 -2.869 -3.985 82 HA SER 9 HA SER 9 8.031 -5.026 -4.659 83 HB2 SER 9 2HB SER 9 9.015 -2.415 -3.404 84 HB3 SER 9 1HB SER 9 9.997 -3.845 -3.722 85 HG SER 9 HG SER 9 9.790 -3.499 -5.898 86 H TYR 10 H TYR 10 8.185 -6.491 -3.032 87 HA TYR 10 HA TYR 10 7.099 -5.996 -0.377 88 HB2 TYR 10 2HB TYR 10 8.652 -8.404 -1.445 89 HB3 TYR 10 1HB TYR 10 7.881 -8.318 0.131 90 HD1 TYR 10 HD2 TYR 10 5.254 -7.798 0.071 91 HD2 TYR 10 HD1 TYR 10 7.458 -9.446 -3.201 92 HE1 TYR 10 HE2 TYR 10 3.176 -8.711 -0.876 93 HE2 TYR 10 HE1 TYR 10 5.377 -10.360 -4.143 94 HH TYR 10 HH TYR 10 2.286 -9.453 -3.004 95 H ARG 11 H ARG 11 8.264 -5.077 1.213 96 HA ARG 11 HA ARG 11 11.242 -5.106 1.160 97 HB2 ARG 11 2HB ARG 11 9.334 -3.025 2.292 98 HB3 ARG 11 1HB ARG 11 11.079 -2.947 2.441 99 HG2 ARG 11 2HG ARG 11 9.570 -2.852 -0.188 100 HG3 ARG 11 1HG ARG 11 10.108 -1.431 0.707 101 HD2 ARG 11 2HD ARG 11 12.437 -2.142 0.472 102 HD3 ARG 11 1HD ARG 11 11.919 -3.600 -0.381 103 HE ARG 11 HE ARG 11 11.078 -1.104 -1.598 104 HH11 ARG 11 1HH1 ARG 11 13.596 -3.573 -1.518 105 HH12 ARG 11 2HH1 ARG 11 14.203 -3.173 -3.097 106 HH21 ARG 11 1HH2 ARG 11 11.912 -0.572 -3.662 107 HH22 ARG 11 2HH2 ARG 11 13.249 -1.476 -4.305 108 H ARG 12 H ARG 12 11.808 -6.669 2.608 109 HA ARG 12 HA ARG 12 10.196 -7.286 4.955 110 HB2 ARG 12 2HB ARG 12 11.155 -9.135 3.683 111 HB3 ARG 12 1HB ARG 12 12.782 -8.496 3.883 112 HG2 ARG 12 2HG ARG 12 12.756 -9.000 6.260 113 HG3 ARG 12 1HG ARG 12 11.048 -9.443 6.193 114 HD2 ARG 12 2HD ARG 12 12.546 -11.412 6.287 115 HD3 ARG 12 1HD ARG 12 11.555 -11.393 4.830 116 HE ARG 12 HE ARG 12 13.790 -10.282 3.898 117 HH11 ARG 12 1HH1 ARG 12 13.484 -13.145 5.954 118 HH12 ARG 12 2HH1 ARG 12 14.922 -13.879 5.313 119 HH21 ARG 12 1HH2 ARG 12 15.629 -11.305 3.056 120 HH22 ARG 12 2HH2 ARG 12 16.132 -12.846 3.683 121 H SER 13 H SER 13 10.400 -6.092 6.732 122 HA SER 13 HA SER 13 12.637 -4.404 7.305 123 HB2 SER 13 2HB SER 13 10.232 -5.138 9.019 124 HB3 SER 13 1HB SER 13 11.356 -3.812 9.339 125 HG SER 13 HG SER 13 9.235 -3.503 8.064 126 H LYS 14 H LYS 14 11.220 -6.845 9.557 127 HA LYS 14 HA LYS 14 13.848 -8.130 9.891 128 HB2 LYS 14 2HB LYS 14 12.219 -7.071 12.253 129 HB3 LYS 14 1HB LYS 14 13.577 -8.179 12.401 130 HG2 LYS 14 2HG LYS 14 15.059 -6.416 11.400 131 HG3 LYS 14 1HG LYS 14 13.679 -5.316 11.409 132 HD2 LYS 14 2HD LYS 14 13.542 -5.623 13.919 133 HD3 LYS 14 1HD LYS 14 15.024 -6.575 13.833 134 HE2 LYS 14 2HE LYS 14 14.725 -3.648 13.077 135 HE3 LYS 14 1HE LYS 14 15.507 -4.277 14.524 136 HZ1 LYS 14 3HZ LYS 14 17.153 -5.349 13.076 137 HZ2 LYS 14 1HZ LYS 14 17.136 -3.669 12.900 138 HZ3 LYS 14 2HZ LYS 14 16.419 -4.647 11.728 139 H GLU 15 H GLU 15 13.710 -10.202 10.987 140 HA GLU 15 HA GLU 15 11.598 -11.874 10.107 141 HB2 GLU 15 2HB GLU 15 13.789 -12.384 12.165 142 HB3 GLU 15 1HB GLU 15 12.794 -13.632 11.434 143 HG2 GLU 15 2HG GLU 15 14.674 -11.838 9.884 144 HG3 GLU 15 1HG GLU 15 15.111 -13.429 10.494 145 H ASN 16 H ASN 16 12.474 -10.562 13.295 146 HA ASN 16 HA ASN 16 10.553 -12.227 14.690 147 HB2 ASN 16 2HB ASN 16 12.854 -11.825 15.589 148 HB3 ASN 16 1HB ASN 16 12.453 -10.130 15.824 149 HD21 ASN 16 1HD2 ASN 16 11.956 -13.381 17.005 150 HD22 ASN 16 2HD2 ASN 16 11.182 -12.933 18.483 151 H GLN 17 H GLN 17 8.718 -11.220 13.551 152 HA GLN 17 HA GLN 17 6.665 -10.374 13.858 153 HB2 GLN 17 2HB GLN 17 7.569 -9.484 16.625 154 HB3 GLN 17 1HB GLN 17 5.916 -9.762 16.096 155 HG2 GLN 17 2HG GLN 17 8.070 -11.867 16.478 156 HG3 GLN 17 1HG GLN 17 6.669 -11.601 17.511 157 HE21 GLN 17 1HE2 GLN 17 7.551 -14.007 16.068 158 HE22 GLN 17 2HE2 GLN 17 6.218 -14.475 15.076 159 H HIS 18 H HIS 18 9.202 -8.345 13.403 160 HA HIS 18 HA HIS 18 7.887 -5.784 13.881 161 HB2 HIS 18 2HB HIS 18 10.554 -6.508 12.591 162 HB3 HIS 18 1HB HIS 18 9.964 -4.855 12.695 163 HD1 HIS 18 HD1 HIS 18 9.675 -3.890 15.189 164 HD2 HIS 18 HD2 HIS 18 11.874 -7.400 14.840 165 HE1 HIS 18 HE1 HIS 18 10.958 -4.111 17.342 166 HE2 HIS 18 HE2 HIS 18 12.163 -6.308 17.153 167 H ASN 19 H ASN 19 6.721 -4.654 12.375 168 HA ASN 19 HA ASN 19 5.554 -6.126 10.276 169 HB2 ASN 19 2HB ASN 19 5.337 -3.131 10.739 170 HB3 ASN 19 1HB ASN 19 4.223 -4.116 9.798 171 HD21 ASN 19 1HD2 ASN 19 4.473 -6.280 12.015 172 HD22 ASN 19 2HD2 ASN 19 3.415 -5.681 13.237 173 H ASN 20 H ASN 20 6.336 -6.508 8.331 174 HA ASN 20 HA ASN 20 8.588 -5.191 7.178 175 HB2 ASN 20 2HB ASN 20 8.373 -6.748 5.364 176 HB3 ASN 20 1HB ASN 20 7.830 -7.640 6.777 177 HD21 ASN 20 1HD2 ASN 20 6.919 -6.334 3.699 178 HD22 ASN 20 2HD2 ASN 20 5.313 -6.968 3.671 179 H VAL 21 H VAL 21 8.608 -3.833 5.289 180 HA VAL 21 HA VAL 21 6.252 -2.113 4.971 181 HB VAL 21 HB VAL 21 8.889 -1.834 3.455 182 HG11 VAL 21 1HG1 VAL 21 6.830 0.242 4.243 183 HG12 VAL 21 2HG1 VAL 21 7.064 -0.440 2.631 184 HG13 VAL 21 3HG1 VAL 21 8.326 0.558 3.358 185 HG21 VAL 21 3HG2 VAL 21 9.497 -1.995 5.821 186 HG22 VAL 21 1HG2 VAL 21 8.373 -0.688 6.209 187 HG23 VAL 21 2HG2 VAL 21 9.784 -0.373 5.192 188 H MET 22 H MET 22 5.275 -1.793 2.837 189 HA MET 22 HA MET 22 6.264 -3.431 0.618 190 HB2 MET 22 2HB MET 22 4.315 -4.662 1.710 191 HB3 MET 22 1HB MET 22 3.279 -3.309 1.283 192 HG2 MET 22 2HG MET 22 3.494 -3.748 -1.033 193 HG3 MET 22 1HG MET 22 4.871 -4.814 -0.797 194 HE1 MET 22 3HE MET 22 1.050 -4.653 -1.334 195 HE2 MET 22 1HE MET 22 1.076 -4.492 0.422 196 HE3 MET 22 2HE MET 22 0.433 -5.955 -0.319 197 H ILE 23 H ILE 23 6.812 -1.980 -0.820 198 HA ILE 23 HA ILE 23 5.832 0.685 -0.998 199 HB ILE 23 HB ILE 23 7.287 -0.898 -3.175 200 HG12 ILE 23 2HG1 ILE 23 8.605 -0.955 -1.079 201 HG13 ILE 23 1HG1 ILE 23 9.410 0.016 -2.299 202 HG21 ILE 23 1HG2 ILE 23 7.065 2.112 -2.759 203 HG22 ILE 23 2HG2 ILE 23 6.271 1.171 -4.024 204 HG23 ILE 23 3HG2 ILE 23 8.029 1.318 -4.006 205 HD11 ILE 23 3HD1 ILE 23 9.625 1.015 -0.119 206 HD12 ILE 23 1HD1 ILE 23 7.875 1.049 0.085 207 HD13 ILE 23 2HD1 ILE 23 8.641 2.056 -1.147 208 H ILE 24 H ILE 24 4.049 1.375 -1.966 209 HA ILE 24 HA ILE 24 2.545 -0.284 -3.904 210 HB ILE 24 HB ILE 24 1.442 1.065 -1.381 211 HG12 ILE 24 2HG1 ILE 24 1.273 -1.886 -2.160 212 HG13 ILE 24 1HG1 ILE 24 2.495 -1.229 -1.079 213 HG21 ILE 24 1HG2 ILE 24 -0.154 -0.267 -3.601 214 HG22 ILE 24 2HG2 ILE 24 -0.109 1.462 -3.249 215 HG23 ILE 24 3HG2 ILE 24 -0.809 0.343 -2.081 216 HD11 ILE 24 3HD1 ILE 24 -0.479 -1.279 -0.585 217 HD12 ILE 24 1HD1 ILE 24 0.724 -0.546 0.480 218 HD13 ILE 24 2HD1 ILE 24 0.752 -2.281 0.182 219 H LYS 25 H LYS 25 1.798 0.997 -5.616 220 HA LYS 25 HA LYS 25 1.860 3.941 -5.277 221 HB2 LYS 25 2HB LYS 25 1.671 4.090 -7.743 222 HB3 LYS 25 1HB LYS 25 3.082 3.161 -7.262 223 HG2 LYS 25 2HG LYS 25 1.959 1.074 -7.833 224 HG3 LYS 25 1HG LYS 25 0.471 1.936 -8.210 225 HD2 LYS 25 2HD LYS 25 3.098 2.227 -9.717 226 HD3 LYS 25 1HD LYS 25 1.733 1.238 -10.227 227 HE2 LYS 25 2HE LYS 25 1.546 3.216 -11.502 228 HE3 LYS 25 1HE LYS 25 0.354 3.417 -10.218 229 HZ1 LYS 25 3HZ LYS 25 1.820 4.896 -9.077 230 HZ2 LYS 25 1HZ LYS 25 1.734 5.407 -10.683 231 HZ3 LYS 25 2HZ LYS 25 3.095 4.564 -10.135 232 HA PRO 26 HA PRO 26 -2.703 3.511 -5.031 233 HB2 PRO 26 2HB PRO 26 -2.598 6.432 -4.448 234 HB3 PRO 26 1HB PRO 26 -3.295 5.120 -3.476 235 HG2 PRO 26 2HG PRO 26 -1.046 6.397 -2.721 236 HG3 PRO 26 1HG PRO 26 -1.301 4.667 -2.387 237 HD2 PRO 26 2HD PRO 26 0.360 5.947 -4.557 238 HD3 PRO 26 1HD PRO 26 0.730 4.538 -3.533 239 H LEU 27 H LEU 27 -3.671 3.454 -6.975 240 HA LEU 27 HA LEU 27 -2.838 4.821 -9.294 241 HB2 LEU 27 2HB LEU 27 -5.459 3.406 -8.690 242 HB3 LEU 27 1HB LEU 27 -4.978 3.940 -10.294 243 HG LEU 27 HG LEU 27 -3.525 1.839 -8.633 244 HD11 LEU 27 1HD1 LEU 27 -5.695 1.039 -9.422 245 HD12 LEU 27 2HD1 LEU 27 -4.385 0.218 -10.264 246 HD13 LEU 27 3HD1 LEU 27 -5.291 1.497 -11.078 247 HD21 LEU 27 3HD2 LEU 27 -2.193 1.420 -10.684 248 HD22 LEU 27 1HD2 LEU 27 -1.944 3.049 -10.054 249 HD23 LEU 27 2HD2 LEU 27 -2.969 2.798 -11.468 250 H ASP 28 H ASP 28 -5.392 5.537 -6.954 251 HA ASP 28 HA ASP 28 -6.499 7.773 -8.400 252 HB2 ASP 28 2HB ASP 28 -6.780 7.032 -5.448 253 HB3 ASP 28 1HB ASP 28 -7.779 8.198 -6.311 254 H VAL 29 H VAL 29 -3.859 7.353 -6.149 255 HA VAL 29 HA VAL 29 -3.583 10.282 -5.755 256 HB VAL 29 HB VAL 29 -2.924 8.005 -3.837 257 HG11 VAL 29 1HG1 VAL 29 -2.124 10.924 -3.564 258 HG12 VAL 29 2HG1 VAL 29 -1.042 9.536 -3.700 259 HG13 VAL 29 3HG1 VAL 29 -2.047 9.732 -2.264 260 HG21 VAL 29 3HG2 VAL 29 -4.463 9.175 -2.300 261 HG22 VAL 29 1HG2 VAL 29 -5.273 8.736 -3.808 262 HG23 VAL 29 2HG2 VAL 29 -4.765 10.405 -3.530 263 H ASN 30 H ASN 30 -2.161 10.843 -7.284 264 HA ASN 30 HA ASN 30 0.460 9.488 -7.445 265 HB2 ASN 30 2HB ASN 30 0.670 10.611 -9.701 266 HB3 ASN 30 1HB ASN 30 -0.602 9.401 -9.591 267 HD21 ASN 30 1HD2 ASN 30 -1.628 10.292 -11.393 268 HD22 ASN 30 2HD2 ASN 30 -2.522 11.767 -11.308 269 H SER 31 H SER 31 -0.907 12.031 -5.900 270 HA SER 31 HA SER 31 1.355 13.923 -6.205 271 HB2 SER 31 2HB SER 31 -1.233 14.200 -4.604 272 HB3 SER 31 1HB SER 31 -0.061 15.478 -4.931 273 HG SER 31 HG SER 31 -1.583 15.759 -6.434 274 H ARG 32 H ARG 32 2.486 14.695 -4.320 275 HA ARG 32 HA ARG 32 3.154 12.679 -2.387 276 HB2 ARG 32 2HB ARG 32 4.844 14.267 -3.249 277 HB3 ARG 32 1HB ARG 32 3.972 15.613 -2.527 278 HG2 ARG 32 2HG ARG 32 4.383 14.495 -0.255 279 HG3 ARG 32 1HG ARG 32 5.469 13.389 -1.098 280 HD2 ARG 32 2HD ARG 32 6.891 15.265 -1.780 281 HD3 ARG 32 1HD ARG 32 5.763 16.409 -1.047 282 HE ARG 32 HE ARG 32 7.195 14.377 0.556 283 HH11 ARG 32 1HH1 ARG 32 6.277 17.749 0.088 284 HH12 ARG 32 2HH1 ARG 32 6.994 18.260 1.587 285 HH21 ARG 32 1HH2 ARG 32 8.169 15.093 2.490 286 HH22 ARG 32 2HH2 ARG 32 8.056 16.769 2.933 287 H GLU 33 H GLU 33 1.378 15.773 -2.279 288 HA GLU 33 HA GLU 33 1.008 15.937 0.540 289 HB2 GLU 33 2HB GLU 33 -0.638 17.178 -1.713 290 HB3 GLU 33 1HB GLU 33 -0.719 17.657 -0.019 291 HG2 GLU 33 2HG GLU 33 1.612 18.413 -0.082 292 HG3 GLU 33 1HG GLU 33 1.769 17.856 -1.746 293 H GLU 34 H GLU 34 -0.975 14.614 -2.064 294 HA GLU 34 HA GLU 34 -3.186 13.833 -0.429 295 HB2 GLU 34 2HB GLU 34 -2.396 12.734 -3.159 296 HB3 GLU 34 1HB GLU 34 -3.982 12.620 -2.408 297 HG2 GLU 34 2HG GLU 34 -2.634 15.169 -3.345 298 HG3 GLU 34 1HG GLU 34 -3.928 14.324 -4.180 299 H ALA 35 H ALA 35 -0.141 12.332 -1.347 300 HA ALA 35 HA ALA 35 -0.696 9.743 -0.180 301 HB1 ALA 35 3HB ALA 35 1.947 11.002 -1.010 302 HB2 ALA 35 1HB ALA 35 0.921 9.979 -2.014 303 HB3 ALA 35 2HB ALA 35 1.703 9.305 -0.584 304 H SER 36 H SER 36 0.435 12.814 0.978 305 HA SER 36 HA SER 36 1.767 11.874 3.370 306 HB2 SER 36 2HB SER 36 2.449 13.983 2.197 307 HB3 SER 36 1HB SER 36 0.900 14.711 2.618 308 HG SER 36 HG SER 36 1.502 14.401 4.842 309 H LYS 37 H LYS 37 -1.481 12.878 2.453 310 HA LYS 37 HA LYS 37 -2.434 12.697 5.223 311 HB2 LYS 37 2HB LYS 37 -4.573 13.449 4.424 312 HB3 LYS 37 1HB LYS 37 -3.342 14.452 3.671 313 HG2 LYS 37 2HG LYS 37 -3.564 13.048 1.594 314 HG3 LYS 37 1HG LYS 37 -4.918 12.215 2.368 315 HD2 LYS 37 2HD LYS 37 -6.070 14.454 2.599 316 HD3 LYS 37 1HD LYS 37 -4.755 15.172 1.663 317 HE2 LYS 37 2HE LYS 37 -5.325 13.584 -0.206 318 HE3 LYS 37 1HE LYS 37 -6.734 13.074 0.729 319 HZ1 LYS 37 3HZ LYS 37 -6.176 15.763 -0.390 320 HZ2 LYS 37 1HZ LYS 37 -7.423 15.461 0.714 321 HZ3 LYS 37 2HZ LYS 37 -7.432 14.710 -0.802 322 H LEU 38 H LEU 38 -1.614 10.489 2.908 323 HA LEU 38 HA LEU 38 -3.639 8.494 3.563 324 HB2 LEU 38 2HB LEU 38 -1.099 8.378 1.900 325 HB3 LEU 38 1HB LEU 38 -2.004 6.932 2.295 326 HG LEU 38 HG LEU 38 -3.018 9.267 0.639 327 HD11 LEU 38 1HD1 LEU 38 -1.416 7.868 -0.570 328 HD12 LEU 38 2HD1 LEU 38 -3.037 7.689 -1.233 329 HD13 LEU 38 3HD1 LEU 38 -2.364 6.424 -0.197 330 HD21 LEU 38 3HD2 LEU 38 -4.455 6.706 1.385 331 HD22 LEU 38 1HD2 LEU 38 -5.036 7.933 0.258 332 HD23 LEU 38 2HD2 LEU 38 -4.839 8.331 1.958 333 H ILE 39 H ILE 39 -0.829 9.696 5.045 334 HA ILE 39 HA ILE 39 0.226 7.393 6.296 335 HB ILE 39 HB ILE 39 0.220 10.240 7.421 336 HG12 ILE 39 2HG1 ILE 39 1.194 10.294 5.166 337 HG13 ILE 39 1HG1 ILE 39 2.469 10.518 6.355 338 HG21 ILE 39 1HG2 ILE 39 0.863 8.579 9.112 339 HG22 ILE 39 2HG2 ILE 39 2.261 9.552 8.659 340 HG23 ILE 39 3HG2 ILE 39 2.089 7.913 8.031 341 HD11 ILE 39 3HD1 ILE 39 3.108 8.147 6.051 342 HD12 ILE 39 1HD1 ILE 39 3.227 9.106 4.576 343 HD13 ILE 39 2HD1 ILE 39 1.869 8.009 4.802 344 H GLY 40 H GLY 40 -0.589 6.168 7.895 345 HA2 GLY 40 2HA GLY 40 -1.661 5.646 9.893 346 HA3 GLY 40 1HA GLY 40 -2.475 7.203 9.883 347 H ARG 41 H ARG 41 -2.770 5.687 6.826 348 HA ARG 41 HA ARG 41 -5.516 4.839 7.480 349 HB2 ARG 41 2HB ARG 41 -4.198 5.266 4.772 350 HB3 ARG 41 1HB ARG 41 -5.866 4.749 5.009 351 HG2 ARG 41 2HG ARG 41 -6.207 6.928 6.314 352 HG3 ARG 41 1HG ARG 41 -4.631 7.425 5.693 353 HD2 ARG 41 2HD ARG 41 -5.530 7.005 3.369 354 HD3 ARG 41 1HD ARG 41 -7.121 6.768 4.100 355 HE ARG 41 HE ARG 41 -5.909 9.263 4.854 356 HH11 ARG 41 1HH1 ARG 41 -7.776 7.691 2.314 357 HH12 ARG 41 2HH1 ARG 41 -8.439 9.178 1.716 358 HH21 ARG 41 1HH2 ARG 41 -6.731 11.205 4.017 359 HH22 ARG 41 2HH2 ARG 41 -7.843 11.175 2.682 360 H LEU 42 H LEU 42 -6.367 2.878 6.692 361 HA LEU 42 HA LEU 42 -4.554 0.663 7.285 362 HB2 LEU 42 2HB LEU 42 -6.693 1.039 8.543 363 HB3 LEU 42 1HB LEU 42 -7.591 0.799 7.056 364 HG LEU 42 HG LEU 42 -6.712 -1.571 6.974 365 HD11 LEU 42 1HD1 LEU 42 -5.714 -2.565 8.981 366 HD12 LEU 42 2HD1 LEU 42 -5.661 -0.979 9.754 367 HD13 LEU 42 3HD1 LEU 42 -4.687 -1.294 8.318 368 HD21 LEU 42 3HD2 LEU 42 -8.947 -1.081 7.826 369 HD22 LEU 42 1HD2 LEU 42 -8.300 -0.824 9.447 370 HD23 LEU 42 2HD2 LEU 42 -8.231 -2.427 8.710 371 H VAL 43 H VAL 43 -3.708 -0.409 5.597 372 HA VAL 43 HA VAL 43 -5.029 -0.419 2.967 373 HB VAL 43 HB VAL 43 -2.200 -1.323 3.723 374 HG11 VAL 43 1HG1 VAL 43 -1.758 -1.303 1.288 375 HG12 VAL 43 2HG1 VAL 43 -3.447 -0.905 0.974 376 HG13 VAL 43 3HG1 VAL 43 -3.027 -2.460 1.696 377 HG21 VAL 43 3HG2 VAL 43 -1.446 0.787 2.676 378 HG22 VAL 43 1HG2 VAL 43 -2.482 1.090 4.073 379 HG23 VAL 43 2HG2 VAL 43 -3.125 1.273 2.439 380 H LEU 44 H LEU 44 -6.332 -2.052 2.646 381 HA LEU 44 HA LEU 44 -5.975 -4.697 3.840 382 HB2 LEU 44 2HB LEU 44 -8.211 -3.613 2.064 383 HB3 LEU 44 1HB LEU 44 -8.219 -5.160 2.896 384 HG LEU 44 HG LEU 44 -8.386 -2.402 4.165 385 HD11 LEU 44 1HD1 LEU 44 -10.492 -3.155 3.189 386 HD12 LEU 44 2HD1 LEU 44 -10.597 -3.137 4.946 387 HD13 LEU 44 3HD1 LEU 44 -10.400 -4.671 4.092 388 HD21 LEU 44 3HD2 LEU 44 -6.994 -3.798 5.587 389 HD22 LEU 44 1HD2 LEU 44 -8.207 -5.081 5.569 390 HD23 LEU 44 2HD2 LEU 44 -8.561 -3.532 6.341 391 H TRP 45 H TRP 45 -4.311 -5.703 2.704 392 HA TRP 45 HA TRP 45 -4.667 -5.935 -0.236 393 HB2 TRP 45 2HB TRP 45 -2.366 -5.294 0.428 394 HB3 TRP 45 1HB TRP 45 -2.236 -6.742 1.427 395 HD1 TRP 45 HD1 TRP 45 -3.148 -6.058 -2.321 396 HE1 TRP 45 HE1 TRP 45 -1.966 -7.806 -3.769 397 HE3 TRP 45 HE3 TRP 45 -0.838 -8.758 1.353 398 HZ2 TRP 45 HZ2 TRP 45 -0.286 -10.006 -3.436 399 HZ3 TRP 45 HZ3 TRP 45 0.551 -10.693 0.691 400 HH2 TRP 45 HH2 TRP 45 0.805 -11.317 -1.670 401 H LYS 46 H LYS 46 -5.355 -7.773 -1.035 402 HA LYS 46 HA LYS 46 -5.835 -10.098 0.693 403 HB2 LYS 46 2HB LYS 46 -7.769 -9.274 -0.568 404 HB3 LYS 46 1HB LYS 46 -6.862 -9.319 -2.073 405 HG2 LYS 46 2HG LYS 46 -6.767 -11.789 -1.950 406 HG3 LYS 46 1HG LYS 46 -7.662 -11.743 -0.429 407 HD2 LYS 46 2HD LYS 46 -9.101 -12.310 -2.386 408 HD3 LYS 46 1HD LYS 46 -9.634 -10.852 -1.547 409 HE2 LYS 46 2HE LYS 46 -9.753 -10.600 -4.009 410 HE3 LYS 46 1HE LYS 46 -8.614 -9.452 -3.305 411 HZ1 LYS 46 3HZ LYS 46 -7.910 -12.012 -4.633 412 HZ2 LYS 46 1HZ LYS 46 -6.804 -10.917 -3.971 413 HZ3 LYS 46 2HZ LYS 46 -7.737 -10.473 -5.304 414 H SER 47 H SER 47 -4.151 -11.428 0.730 415 HA SER 47 HA SER 47 -2.075 -11.792 -1.098 416 HB2 SER 47 2HB SER 47 -1.676 -13.925 0.147 417 HB3 SER 47 1HB SER 47 -2.028 -12.599 1.252 418 HG SER 47 HG SER 47 -3.968 -13.450 1.695 419 HA PRO 48 HA PRO 48 -3.708 -14.214 -4.577 420 HB2 PRO 48 2HB PRO 48 -1.425 -16.134 -4.151 421 HB3 PRO 48 1HB PRO 48 -1.888 -15.234 -5.607 422 HG2 PRO 48 2HG PRO 48 0.232 -14.487 -4.211 423 HG3 PRO 48 1HG PRO 48 -0.860 -13.277 -4.928 424 HD2 PRO 48 2HD PRO 48 -0.657 -14.171 -2.063 425 HD3 PRO 48 1HD PRO 48 -0.921 -12.540 -2.725 426 H SER 49 H SER 49 -2.875 -15.812 -1.590 427 HA SER 49 HA SER 49 -4.095 -18.315 -1.798 428 HB2 SER 49 2HB SER 49 -2.575 -17.605 0.037 429 HB3 SER 49 1HB SER 49 -3.810 -16.511 0.660 430 HG SER 49 HG SER 49 -3.555 -18.710 1.617 431 H GLY 50 H GLY 50 -5.463 -15.147 -1.017 432 HA2 GLY 50 2HA GLY 50 -7.814 -14.711 -1.634 433 HA3 GLY 50 1HA GLY 50 -8.228 -16.252 -0.887 434 H LYS 51 H LYS 51 -5.916 -15.186 1.052 435 HA LYS 51 HA LYS 51 -7.707 -14.294 3.151 436 HB2 LYS 51 2HB LYS 51 -4.669 -14.649 3.140 437 HB3 LYS 51 1HB LYS 51 -5.681 -14.464 4.567 438 HG2 LYS 51 2HG LYS 51 -5.825 -16.788 2.636 439 HG3 LYS 51 1HG LYS 51 -4.940 -16.802 4.156 440 HD2 LYS 51 2HD LYS 51 -7.949 -16.434 3.888 441 HD3 LYS 51 1HD LYS 51 -7.142 -17.941 4.327 442 HE2 LYS 51 2HE LYS 51 -6.229 -16.861 6.359 443 HE3 LYS 51 1HE LYS 51 -7.044 -15.357 5.924 444 HZ1 LYS 51 3HZ LYS 51 -8.303 -16.608 7.563 445 HZ2 LYS 51 1HZ LYS 51 -8.387 -17.937 6.518 446 HZ3 LYS 51 2HZ LYS 51 -9.157 -16.493 6.111 447 H ILE 52 H ILE 52 -7.386 -12.273 4.343 448 HA ILE 52 HA ILE 52 -6.231 -10.080 2.682 449 HB ILE 52 HB ILE 52 -8.503 -9.882 4.726 450 HG12 ILE 52 2HG1 ILE 52 -8.589 -9.697 1.673 451 HG13 ILE 52 1HG1 ILE 52 -9.152 -11.065 2.621 452 HG21 ILE 52 1HG2 ILE 52 -7.350 -7.721 2.908 453 HG22 ILE 52 2HG2 ILE 52 -7.188 -7.791 4.664 454 HG23 ILE 52 3HG2 ILE 52 -8.774 -7.540 3.934 455 HD11 ILE 52 3HD1 ILE 52 -10.994 -9.712 1.840 456 HD12 ILE 52 1HD1 ILE 52 -10.345 -8.296 2.667 457 HD13 ILE 52 2HD1 ILE 52 -10.904 -9.687 3.599 458 H LEU 53 H LEU 53 -4.270 -9.632 3.427 459 HA LEU 53 HA LEU 53 -3.480 -9.666 6.211 460 HB2 LEU 53 2HB LEU 53 -1.990 -8.544 3.794 461 HB3 LEU 53 1HB LEU 53 -1.303 -8.879 5.375 462 HG LEU 53 HG LEU 53 -2.272 -10.919 3.341 463 HD11 LEU 53 1HD1 LEU 53 -0.084 -9.947 2.824 464 HD12 LEU 53 2HD1 LEU 53 0.066 -11.645 3.263 465 HD13 LEU 53 3HD1 LEU 53 0.515 -10.394 4.425 466 HD21 LEU 53 3HD2 LEU 53 -2.879 -11.715 5.565 467 HD22 LEU 53 1HD2 LEU 53 -1.229 -11.452 6.139 468 HD23 LEU 53 2HD2 LEU 53 -1.557 -12.672 4.906 469 H LYS 54 H LYS 54 -3.113 -7.914 7.509 470 HA LYS 54 HA LYS 54 -4.413 -5.372 6.817 471 HB2 LYS 54 2HB LYS 54 -3.355 -6.300 9.520 472 HB3 LYS 54 1HB LYS 54 -4.416 -4.934 9.218 473 HG2 LYS 54 2HG LYS 54 -5.148 -7.851 8.822 474 HG3 LYS 54 1HG LYS 54 -5.601 -6.863 10.210 475 HD2 LYS 54 2HD LYS 54 -6.482 -6.439 7.332 476 HD3 LYS 54 1HD LYS 54 -7.470 -7.073 8.650 477 HE2 LYS 54 2HE LYS 54 -6.322 -4.267 8.462 478 HE3 LYS 54 1HE LYS 54 -8.007 -4.729 8.242 479 HZ1 LYS 54 3HZ LYS 54 -8.209 -5.272 10.497 480 HZ2 LYS 54 1HZ LYS 54 -7.430 -3.779 10.449 481 HZ3 LYS 54 2HZ LYS 54 -6.543 -5.179 10.776 482 H GLY 55 H GLY 55 -3.221 -3.600 6.388 483 HA2 GLY 55 2HA GLY 55 -0.453 -3.317 7.423 484 HA3 GLY 55 1HA GLY 55 -0.787 -3.073 5.709 485 H LYS 56 H LYS 56 0.337 -0.995 6.990 486 HA LYS 56 HA LYS 56 -1.751 1.032 6.785 487 HB2 LYS 56 2HB LYS 56 -1.853 0.488 9.176 488 HB3 LYS 56 1HB LYS 56 -0.117 0.723 9.344 489 HG2 LYS 56 2HG LYS 56 -0.311 3.101 9.029 490 HG3 LYS 56 1HG LYS 56 -1.981 2.968 8.478 491 HD2 LYS 56 2HD LYS 56 -1.020 2.344 11.300 492 HD3 LYS 56 1HD LYS 56 -1.806 3.843 10.801 493 HE2 LYS 56 2HE LYS 56 -3.851 2.631 10.229 494 HE3 LYS 56 1HE LYS 56 -3.075 1.089 10.603 495 HZ1 LYS 56 3HZ LYS 56 -2.838 1.841 12.903 496 HZ2 LYS 56 1HZ LYS 56 -4.459 1.796 12.417 497 HZ3 LYS 56 2HZ LYS 56 -3.653 3.275 12.523 498 H ILE 57 H ILE 57 -1.012 2.794 5.804 499 HA ILE 57 HA ILE 57 1.659 3.024 4.839 500 HB ILE 57 HB ILE 57 -0.562 5.117 4.876 501 HG12 ILE 57 2HG1 ILE 57 0.200 3.197 2.633 502 HG13 ILE 57 1HG1 ILE 57 -1.141 2.938 3.741 503 HG21 ILE 57 1HG2 ILE 57 1.940 5.009 3.137 504 HG22 ILE 57 2HG2 ILE 57 1.660 6.138 4.464 505 HG23 ILE 57 3HG2 ILE 57 0.652 6.210 3.018 506 HD11 ILE 57 3HD1 ILE 57 -1.975 3.794 1.692 507 HD12 ILE 57 1HD1 ILE 57 -0.869 5.169 1.746 508 HD13 ILE 57 2HD1 ILE 57 -2.165 5.028 2.941 509 H VAL 58 H VAL 58 3.236 3.349 6.310 510 HA VAL 58 HA VAL 58 2.894 5.217 8.556 511 HB VAL 58 HB VAL 58 5.059 4.382 9.388 512 HG11 VAL 58 1HG1 VAL 58 3.180 2.126 8.578 513 HG12 VAL 58 2HG1 VAL 58 3.056 3.128 10.026 514 HG13 VAL 58 3HG1 VAL 58 4.417 2.021 9.836 515 HG21 VAL 58 3HG2 VAL 58 6.226 4.006 7.256 516 HG22 VAL 58 1HG2 VAL 58 5.164 2.644 6.894 517 HG23 VAL 58 2HG2 VAL 58 6.283 2.555 8.258 518 H ARG 59 H ARG 59 4.744 4.880 5.535 519 HA ARG 59 HA ARG 59 5.534 7.713 5.647 520 HB2 ARG 59 2HB ARG 59 7.464 5.397 5.489 521 HB3 ARG 59 1HB ARG 59 7.785 6.754 4.418 522 HG2 ARG 59 2HG ARG 59 9.079 7.228 6.309 523 HG3 ARG 59 1HG ARG 59 7.652 8.245 6.512 524 HD2 ARG 59 2HD ARG 59 6.717 6.449 8.055 525 HD3 ARG 59 1HD ARG 59 8.275 5.632 7.943 526 HE ARG 59 HE ARG 59 9.278 7.360 9.176 527 HH11 ARG 59 1HH1 ARG 59 5.809 7.944 8.829 528 HH12 ARG 59 2HH1 ARG 59 5.770 9.116 10.111 529 HH21 ARG 59 1HH2 ARG 59 9.182 8.875 10.868 530 HH22 ARG 59 2HH2 ARG 59 7.674 9.637 11.261 531 H VAL 60 H VAL 60 6.576 8.326 3.476 532 HA VAL 60 HA VAL 60 5.240 7.021 1.177 533 HB VAL 60 HB VAL 60 5.045 9.210 0.071 534 HG11 VAL 60 1HG1 VAL 60 3.830 9.265 2.857 535 HG12 VAL 60 2HG1 VAL 60 3.139 8.491 1.425 536 HG13 VAL 60 3HG1 VAL 60 3.295 10.247 1.484 537 HG21 VAL 60 3HG2 VAL 60 5.538 11.347 1.233 538 HG22 VAL 60 1HG2 VAL 60 6.994 10.364 1.054 539 HG23 VAL 60 2HG2 VAL 60 6.179 10.452 2.614 540 H HIS 61 H HIS 61 6.392 7.610 -0.894 541 HA HIS 61 HA HIS 61 9.264 8.099 -0.722 542 HB2 HIS 61 2HB HIS 61 9.017 5.591 -0.574 543 HB3 HIS 61 1HB HIS 61 8.147 5.597 -2.109 544 HD1 HIS 61 HD1 HIS 61 11.501 5.314 -0.721 545 HD2 HIS 61 HD2 HIS 61 9.890 6.574 -4.343 546 HE1 HIS 61 HE1 HIS 61 13.418 5.362 -2.343 547 HE2 HIS 61 HE2 HIS 61 12.418 6.105 -4.518 548 H GLY 62 H GLY 62 9.235 9.913 -1.933 549 HA2 GLY 62 2HA GLY 62 9.487 11.050 -3.919 550 HA3 GLY 62 1HA GLY 62 8.775 9.698 -4.783 551 H THR 63 H THR 63 8.135 12.163 -5.568 552 HA THR 63 HA THR 63 5.545 12.973 -4.442 553 HB THR 63 HB THR 63 5.740 14.929 -5.959 554 HG1 THR 63 HG1 THR 63 6.882 14.547 -7.713 555 HG21 THR 63 3HG2 THR 63 7.733 16.002 -4.979 556 HG22 THR 63 1HG2 THR 63 8.336 14.432 -4.453 557 HG23 THR 63 2HG2 THR 63 6.854 15.088 -3.751 558 H LYS 64 H LYS 64 6.521 10.641 -6.532 559 HA LYS 64 HA LYS 64 4.611 10.978 -8.696 560 HB2 LYS 64 2HB LYS 64 6.540 8.737 -8.013 561 HB3 LYS 64 1HB LYS 64 5.502 8.730 -9.436 562 HG2 LYS 64 2HG LYS 64 6.618 10.743 -10.294 563 HG3 LYS 64 1HG LYS 64 7.636 10.819 -8.856 564 HD2 LYS 64 2HD LYS 64 7.637 8.609 -10.951 565 HD3 LYS 64 1HD LYS 64 8.876 9.845 -10.734 566 HE2 LYS 64 2HE LYS 64 9.412 8.927 -8.502 567 HE3 LYS 64 1HE LYS 64 8.166 7.695 -8.710 568 HZ1 LYS 64 3HZ LYS 64 10.337 6.806 -9.209 569 HZ2 LYS 64 1HZ LYS 64 10.609 8.001 -10.373 570 HZ3 LYS 64 2HZ LYS 64 9.406 6.841 -10.619 571 H GLY 65 H GLY 65 4.004 10.235 -5.612 572 HA2 GLY 65 2HA GLY 65 2.241 9.256 -4.527 573 HA3 GLY 65 1HA GLY 65 1.528 8.913 -6.097 574 H ALA 66 H ALA 66 4.356 7.871 -4.197 575 HA ALA 66 HA ALA 66 3.435 5.061 -4.352 576 HB1 ALA 66 3HB ALA 66 5.426 5.290 -5.810 577 HB2 ALA 66 1HB ALA 66 5.813 4.335 -4.378 578 HB3 ALA 66 2HB ALA 66 6.335 6.018 -4.484 579 H VAL 67 H VAL 67 2.808 4.573 -2.365 580 HA VAL 67 HA VAL 67 3.909 5.936 0.005 581 HB VAL 67 HB VAL 67 1.886 5.084 1.180 582 HG11 VAL 67 1HG1 VAL 67 1.209 6.574 -1.381 583 HG12 VAL 67 2HG1 VAL 67 1.791 7.298 0.120 584 HG13 VAL 67 3HG1 VAL 67 0.210 6.518 0.076 585 HG21 VAL 67 3HG2 VAL 67 1.053 3.920 -1.511 586 HG22 VAL 67 1HG2 VAL 67 0.032 3.991 -0.070 587 HG23 VAL 67 2HG2 VAL 67 1.491 3.001 -0.072 588 H ARG 68 H ARG 68 3.967 4.534 1.994 589 HA ARG 68 HA ARG 68 5.193 1.889 1.453 590 HB2 ARG 68 2HB ARG 68 6.095 4.057 3.409 591 HB3 ARG 68 1HB ARG 68 6.776 2.437 3.336 592 HG2 ARG 68 2HG ARG 68 7.552 2.890 1.010 593 HG3 ARG 68 1HG ARG 68 6.926 4.536 1.140 594 HD2 ARG 68 2HD ARG 68 9.401 4.340 1.553 595 HD3 ARG 68 1HD ARG 68 8.507 5.066 2.892 596 HE ARG 68 HE ARG 68 8.562 2.751 3.903 597 HH11 ARG 68 1HH1 ARG 68 11.182 3.836 1.809 598 HH12 ARG 68 2HH1 ARG 68 12.348 2.781 2.542 599 HH21 ARG 68 1HH2 ARG 68 10.083 1.409 4.842 600 HH22 ARG 68 2HH2 ARG 68 11.719 1.397 4.273 601 H ALA 69 H ALA 69 3.626 0.543 2.158 602 HA ALA 69 HA ALA 69 2.171 1.102 4.674 603 HB1 ALA 69 3HB ALA 69 0.770 0.894 2.661 604 HB2 ALA 69 1HB ALA 69 0.442 -0.410 3.800 605 HB3 ALA 69 2HB ALA 69 1.418 -0.721 2.360 606 H ARG 70 H ARG 70 2.877 -0.029 6.402 607 HA ARG 70 HA ARG 70 4.459 -2.455 6.015 608 HB2 ARG 70 2HB ARG 70 3.926 -0.943 8.604 609 HB3 ARG 70 1HB ARG 70 5.058 -2.275 8.380 610 HG2 ARG 70 2HG ARG 70 6.154 -0.713 6.586 611 HG3 ARG 70 1HG ARG 70 5.265 0.565 7.413 612 HD2 ARG 70 2HD ARG 70 7.424 -1.237 8.522 613 HD3 ARG 70 1HD ARG 70 7.449 0.519 8.368 614 HE ARG 70 HE ARG 70 5.507 0.369 10.086 615 HH11 ARG 70 1HH1 ARG 70 8.326 -1.733 10.052 616 HH12 ARG 70 2HH1 ARG 70 8.285 -2.018 11.760 617 HH21 ARG 70 1HH2 ARG 70 5.442 -0.045 12.318 618 HH22 ARG 70 2HH2 ARG 70 6.646 -1.057 13.051 619 H PHE 71 H PHE 71 3.611 -4.387 6.124 620 HA PHE 71 HA PHE 71 0.923 -4.824 7.196 621 HB2 PHE 71 2HB PHE 71 2.719 -6.431 5.328 622 HB3 PHE 71 1HB PHE 71 1.230 -7.101 6.002 623 HD1 PHE 71 HD1 PHE 71 2.550 -4.288 3.888 624 HD2 PHE 71 HD2 PHE 71 -0.897 -6.538 5.085 625 HE1 PHE 71 HE1 PHE 71 1.193 -3.121 2.208 626 HE2 PHE 71 HE2 PHE 71 -2.236 -5.371 3.389 627 HZ PHE 71 HZ PHE 71 -1.200 -3.658 1.959 628 H GLU 72 H GLU 72 0.489 -5.939 8.945 629 HA GLU 72 HA GLU 72 2.547 -6.420 10.875 630 HB2 GLU 72 2HB GLU 72 0.656 -6.970 12.405 631 HB3 GLU 72 1HB GLU 72 0.418 -5.442 11.564 632 HG2 GLU 72 2HG GLU 72 -1.166 -6.470 10.025 633 HG3 GLU 72 1HG GLU 72 -0.861 -8.060 10.713 634 H LYS 73 H LYS 73 0.647 -8.497 8.779 635 HA LYS 73 HA LYS 73 1.212 -10.924 10.292 636 HB2 LYS 73 2HB LYS 73 -0.198 -10.623 7.610 637 HB3 LYS 73 1HB LYS 73 -0.144 -12.078 8.598 638 HG2 LYS 73 2HG LYS 73 -1.598 -9.486 9.184 639 HG3 LYS 73 1HG LYS 73 -2.296 -11.081 8.934 640 HD2 LYS 73 2HD LYS 73 -0.608 -10.242 11.327 641 HD3 LYS 73 1HD LYS 73 -2.362 -10.373 11.316 642 HE2 LYS 73 2HE LYS 73 -0.491 -12.715 10.818 643 HE3 LYS 73 1HE LYS 73 -1.180 -12.320 12.390 644 HZ1 LYS 73 3HZ LYS 73 -3.379 -12.663 11.493 645 HZ2 LYS 73 1HZ LYS 73 -2.432 -14.041 11.251 646 HZ3 LYS 73 2HZ LYS 73 -2.745 -12.997 9.961 647 H GLY 74 H GLY 74 2.314 -9.345 7.354 648 HA2 GLY 74 2HA GLY 74 4.260 -9.487 6.207 649 HA3 GLY 74 1HA GLY 74 4.917 -10.307 7.605 650 H LEU 75 H LEU 75 2.309 -11.482 5.498 651 HA LEU 75 HA LEU 75 3.802 -13.911 4.928 652 HB2 LEU 75 2HB LEU 75 0.985 -13.051 4.147 653 HB3 LEU 75 1HB LEU 75 1.685 -14.604 3.722 654 HG LEU 75 HG LEU 75 1.071 -13.624 6.538 655 HD11 LEU 75 1HD1 LEU 75 -0.199 -15.850 4.918 656 HD12 LEU 75 2HD1 LEU 75 -0.921 -14.281 5.281 657 HD13 LEU 75 3HD1 LEU 75 -0.589 -15.416 6.585 658 HD21 LEU 75 3HD2 LEU 75 2.309 -16.261 5.674 659 HD22 LEU 75 1HD2 LEU 75 1.757 -15.870 7.309 660 HD23 LEU 75 2HD2 LEU 75 3.099 -14.980 6.595 661 HA PRO 76 HA PRO 76 5.200 -12.657 0.791 662 HB2 PRO 76 2HB PRO 76 5.366 -15.120 -0.432 663 HB3 PRO 76 1HB PRO 76 6.517 -14.612 0.822 664 HG2 PRO 76 2HG PRO 76 4.051 -16.310 1.133 665 HG3 PRO 76 1HG PRO 76 5.697 -16.622 1.734 666 HD2 PRO 76 2HD PRO 76 3.840 -15.597 3.367 667 HD3 PRO 76 1HD PRO 76 5.525 -15.031 3.448 668 H GLY 77 H GLY 77 4.602 -13.323 -1.601 669 HA2 GLY 77 2HA GLY 77 1.881 -14.118 -2.117 670 HA3 GLY 77 1HA GLY 77 2.150 -12.391 -2.341 671 H GLN 78 H GLN 78 4.856 -12.588 -3.301 672 HA GLN 78 HA GLN 78 5.853 -12.364 -5.331 673 HB2 GLN 78 2HB GLN 78 6.031 -14.862 -4.982 674 HB3 GLN 78 1HB GLN 78 4.566 -15.070 -5.932 675 HG2 GLN 78 2HG GLN 78 5.714 -14.165 -7.924 676 HG3 GLN 78 1HG GLN 78 7.176 -13.900 -6.975 677 HE21 GLN 78 1HE2 GLN 78 6.715 -15.568 -9.376 678 HE22 GLN 78 2HE2 GLN 78 7.214 -17.164 -8.945 679 H ALA 79 H ALA 79 3.389 -11.152 -4.941 680 HA ALA 79 HA ALA 79 1.824 -11.365 -7.442 681 HB1 ALA 79 3HB ALA 79 -0.082 -10.588 -6.082 682 HB2 ALA 79 1HB ALA 79 0.952 -10.513 -4.652 683 HB3 ALA 79 2HB ALA 79 0.619 -12.062 -5.425 684 H LEU 80 H LEU 80 4.273 -9.710 -7.014 685 HA LEU 80 HA LEU 80 3.710 -6.968 -6.866 686 HB2 LEU 80 2HB LEU 80 5.721 -8.333 -8.702 687 HB3 LEU 80 1HB LEU 80 5.759 -6.642 -8.224 688 HG LEU 80 HG LEU 80 6.162 -9.021 -6.362 689 HD11 LEU 80 1HD1 LEU 80 8.489 -8.278 -6.170 690 HD12 LEU 80 2HD1 LEU 80 8.205 -7.036 -7.390 691 HD13 LEU 80 3HD1 LEU 80 8.083 -8.741 -7.823 692 HD21 LEU 80 3HD2 LEU 80 6.768 -7.351 -4.644 693 HD22 LEU 80 1HD2 LEU 80 5.088 -7.212 -5.158 694 HD23 LEU 80 2HD2 LEU 80 6.287 -6.059 -5.743 695 H GLY 81 H GLY 81 2.211 -5.858 -7.996 696 HA2 GLY 81 2HA GLY 81 1.426 -4.992 -10.161 697 HA3 GLY 81 1HA GLY 81 1.508 -6.631 -10.795 698 H ASP 82 H ASP 82 0.415 -7.169 -7.816 699 HA ASP 82 HA ASP 82 -2.388 -7.377 -8.516 700 HB2 ASP 82 2HB ASP 82 -1.057 -9.059 -7.087 701 HB3 ASP 82 1HB ASP 82 -1.079 -7.877 -5.784 702 H TYR 83 H TYR 83 -3.998 -6.504 -6.676 703 HA TYR 83 HA TYR 83 -3.368 -3.619 -6.411 704 HB2 TYR 83 2HB TYR 83 -6.020 -4.978 -7.064 705 HB3 TYR 83 1HB TYR 83 -5.812 -3.246 -6.815 706 HD1 TYR 83 HD1 TYR 83 -5.071 -6.070 -9.125 707 HD2 TYR 83 HD2 TYR 83 -4.789 -1.847 -8.540 708 HE1 TYR 83 HE1 TYR 83 -4.490 -5.782 -11.500 709 HE2 TYR 83 HE2 TYR 83 -4.237 -1.556 -10.906 710 HH TYR 83 HH TYR 83 -4.564 -4.038 -13.227 711 H VAL 84 H VAL 84 -3.651 -2.670 -4.514 712 HA VAL 84 HA VAL 84 -4.794 -4.149 -2.218 713 HB VAL 84 HB VAL 84 -3.643 -2.610 -0.755 714 HG11 VAL 84 1HG1 VAL 84 -1.732 -3.394 -2.979 715 HG12 VAL 84 2HG1 VAL 84 -2.229 -4.405 -1.624 716 HG13 VAL 84 3HG1 VAL 84 -1.272 -2.958 -1.330 717 HG21 VAL 84 3HG2 VAL 84 -2.296 -0.692 -1.526 718 HG22 VAL 84 1HG2 VAL 84 -3.993 -0.507 -1.980 719 HG23 VAL 84 2HG2 VAL 84 -2.804 -0.999 -3.189 720 H GLU 85 H GLU 85 -6.078 -2.740 -0.661 721 HA GLU 85 HA GLU 85 -7.482 -0.458 -1.928 722 HB2 GLU 85 2HB GLU 85 -8.785 -2.710 -0.319 723 HB3 GLU 85 1HB GLU 85 -9.615 -1.257 -0.867 724 HG2 GLU 85 2HG GLU 85 -9.239 -1.898 -3.214 725 HG3 GLU 85 1HG GLU 85 -8.348 -3.325 -2.700 726 H ILE 86 H ILE 86 -6.736 1.179 -0.809 727 HA ILE 86 HA ILE 86 -5.958 1.118 1.971 728 HB ILE 86 HB ILE 86 -5.995 3.471 0.012 729 HG12 ILE 86 2HG1 ILE 86 -3.636 1.628 0.636 730 HG13 ILE 86 1HG1 ILE 86 -4.611 1.524 -0.822 731 HG21 ILE 86 1HG2 ILE 86 -4.325 4.492 1.527 732 HG22 ILE 86 2HG2 ILE 86 -4.456 3.110 2.612 733 HG23 ILE 86 3HG2 ILE 86 -5.844 4.173 2.372 734 HD11 ILE 86 3HD1 ILE 86 -2.527 2.656 -1.253 735 HD12 ILE 86 1HD1 ILE 86 -2.883 3.864 -0.018 736 HD13 ILE 86 2HD1 ILE 86 -3.878 3.765 -1.473 737 H VAL 87 H VAL 87 -7.863 0.884 3.117 738 HA VAL 87 HA VAL 87 -10.079 2.770 2.796 739 HB VAL 87 HB VAL 87 -9.815 0.564 4.900 740 HG11 VAL 87 1HG1 VAL 87 -11.576 2.236 5.344 741 HG12 VAL 87 2HG1 VAL 87 -12.272 0.660 4.978 742 HG13 VAL 87 3HG1 VAL 87 -12.284 1.931 3.753 743 HG21 VAL 87 3HG2 VAL 87 -11.081 0.266 2.144 744 HG22 VAL 87 1HG2 VAL 87 -11.064 -0.948 3.425 745 HG23 VAL 87 2HG2 VAL 87 -9.556 -0.461 2.652 746 H LEU 88 H LEU 88 -10.676 4.265 4.392 747 HA LEU 88 HA LEU 88 -8.773 5.301 6.263 748 HB2 LEU 88 2HB LEU 88 -10.849 6.399 5.023 749 HB3 LEU 88 1HB LEU 88 -11.784 5.763 6.357 750 HG LEU 88 HG LEU 88 -11.310 8.126 6.698 751 HD11 LEU 88 1HD1 LEU 88 -9.677 6.501 8.663 752 HD12 LEU 88 2HD1 LEU 88 -11.420 6.770 8.722 753 HD13 LEU 88 3HD1 LEU 88 -10.318 8.128 8.919 754 HD21 LEU 88 3HD2 LEU 88 -9.294 8.345 5.339 755 HD22 LEU 88 1HD2 LEU 88 -8.358 7.438 6.530 756 HD23 LEU 88 2HD2 LEU 88 -9.030 9.017 6.945 757 H GLU 89 H GLU 89 -8.324 4.391 8.272 758 HA GLU 89 HA GLU 89 -9.498 1.913 9.044 759 HB2 GLU 89 2HB GLU 89 -8.005 1.928 10.971 760 HB3 GLU 89 1HB GLU 89 -7.136 2.439 9.534 761 HG2 GLU 89 2HG GLU 89 -7.036 4.695 10.249 762 HG3 GLU 89 1HG GLU 89 -8.261 4.452 11.489 763 H HIS 90 H HIS 90 -9.913 5.207 10.269 764 HA HIS 90 HA HIS 90 -11.464 4.554 12.578 765 HB2 HIS 90 2HB HIS 90 -11.319 7.175 11.017 766 HB3 HIS 90 1HB HIS 90 -12.082 6.988 12.591 767 HD1 HIS 90 HD1 HIS 90 -10.528 6.784 14.658 768 HD2 HIS 90 HD2 HIS 90 -8.501 7.257 11.056 769 HE1 HIS 90 HE1 HIS 90 -8.133 7.243 15.273 770 HE2 HIS 90 HE2 HIS 90 -6.935 7.524 13.090 771 H HIS 91 H HIS 91 -12.223 4.925 9.208 772 HA HIS 91 HA HIS 91 -15.098 4.898 9.592 773 HB2 HIS 91 2HB HIS 91 -14.046 6.018 7.588 774 HB3 HIS 91 1HB HIS 91 -13.519 4.434 7.013 775 HD1 HIS 91 HD1 HIS 91 -15.249 2.988 5.852 776 HD2 HIS 91 HD2 HIS 91 -16.896 6.406 7.539 777 HE1 HIS 91 HE1 HIS 91 -17.627 3.041 5.073 778 HE2 HIS 91 HE2 HIS 91 -18.556 5.194 5.978 Start of MODEL 19 1 H1 MET 1 1H MET 1 -14.739 6.065 2.280 2 H2 MET 1 2H MET 1 -15.404 4.863 1.299 3 H3 MET 1 3H MET 1 -16.008 6.437 1.224 4 HA MET 1 HA MET 1 -14.609 5.910 -0.666 5 HB2 MET 1 2HB MET 1 -13.494 8.011 1.249 6 HB3 MET 1 1HB MET 1 -13.046 7.903 -0.450 7 HG2 MET 1 2HG MET 1 -15.407 8.330 -1.075 8 HG3 MET 1 1HG MET 1 -15.817 8.476 0.634 9 HE1 MET 1 3HE MET 1 -13.951 11.759 1.669 10 HE2 MET 1 1HE MET 1 -13.370 10.107 1.863 11 HE3 MET 1 2HE MET 1 -15.063 10.490 2.185 12 H ARG 2 H ARG 2 -13.363 4.176 -1.038 13 HA ARG 2 HA ARG 2 -10.971 3.634 0.626 14 HB2 ARG 2 2HB ARG 2 -12.446 1.745 -1.277 15 HB3 ARG 2 1HB ARG 2 -11.091 1.324 -0.227 16 HG2 ARG 2 2HG ARG 2 -12.477 1.683 1.766 17 HG3 ARG 2 1HG ARG 2 -13.826 2.229 0.760 18 HD2 ARG 2 2HD ARG 2 -12.613 -0.565 0.801 19 HD3 ARG 2 1HD ARG 2 -14.177 -0.093 1.472 20 HE ARG 2 HE ARG 2 -14.759 0.532 -0.929 21 HH11 ARG 2 1HH1 ARG 2 -12.513 -2.086 -0.195 22 HH12 ARG 2 2HH1 ARG 2 -12.845 -2.940 -1.665 23 HH21 ARG 2 1HH2 ARG 2 -15.174 -0.611 -2.854 24 HH22 ARG 2 2HH2 ARG 2 -14.350 -2.102 -3.175 25 H ILE 3 H ILE 3 -9.001 3.664 -0.355 26 HA ILE 3 HA ILE 3 -8.833 4.827 -3.047 27 HB ILE 3 HB ILE 3 -6.741 4.578 -0.827 28 HG12 ILE 3 2HG1 ILE 3 -8.404 6.990 -1.705 29 HG13 ILE 3 1HG1 ILE 3 -8.663 6.052 -0.240 30 HG21 ILE 3 1HG2 ILE 3 -5.381 6.189 -2.125 31 HG22 ILE 3 2HG2 ILE 3 -6.575 6.158 -3.425 32 HG23 ILE 3 3HG2 ILE 3 -5.655 4.702 -3.038 33 HD11 ILE 3 3HD1 ILE 3 -6.497 6.779 0.604 34 HD12 ILE 3 1HD1 ILE 3 -7.561 8.134 0.240 35 HD13 ILE 3 2HD1 ILE 3 -6.241 7.733 -0.859 36 H LYS 4 H LYS 4 -8.161 3.613 -4.726 37 HA LYS 4 HA LYS 4 -7.427 0.816 -4.304 38 HB2 LYS 4 2HB LYS 4 -9.198 1.479 -5.949 39 HB3 LYS 4 1HB LYS 4 -7.987 2.353 -6.879 40 HG2 LYS 4 2HG LYS 4 -6.808 0.237 -7.351 41 HG3 LYS 4 1HG LYS 4 -8.000 -0.645 -6.384 42 HD2 LYS 4 2HD LYS 4 -9.788 0.170 -7.966 43 HD3 LYS 4 1HD LYS 4 -8.530 0.894 -8.964 44 HE2 LYS 4 2HE LYS 4 -7.579 -1.313 -9.378 45 HE3 LYS 4 1HE LYS 4 -8.773 -2.059 -8.315 46 HZ1 LYS 4 3HZ LYS 4 -9.330 -0.637 -10.863 47 HZ2 LYS 4 1HZ LYS 4 -10.506 -1.286 -9.838 48 HZ3 LYS 4 2HZ LYS 4 -9.402 -2.307 -10.608 49 H GLY 5 H GLY 5 -5.384 0.082 -4.497 50 HA2 GLY 5 2HA GLY 5 -3.298 1.771 -5.776 51 HA3 GLY 5 1HA GLY 5 -3.066 1.063 -4.179 52 H VAL 6 H VAL 6 -1.156 0.223 -5.382 53 HA VAL 6 HA VAL 6 -1.621 -2.487 -6.423 54 HB VAL 6 HB VAL 6 -0.195 -0.248 -7.930 55 HG11 VAL 6 1HG1 VAL 6 0.806 -1.904 -9.485 56 HG12 VAL 6 2HG1 VAL 6 0.289 -3.210 -8.417 57 HG13 VAL 6 3HG1 VAL 6 1.477 -2.032 -7.858 58 HG21 VAL 6 3HG2 VAL 6 -2.545 -0.657 -8.508 59 HG22 VAL 6 1HG2 VAL 6 -2.188 -2.354 -8.852 60 HG23 VAL 6 2HG2 VAL 6 -1.492 -1.081 -9.863 61 H VAL 7 H VAL 7 -0.148 -3.899 -5.601 62 HA VAL 7 HA VAL 7 1.951 -3.142 -3.816 63 HB VAL 7 HB VAL 7 1.485 -5.871 -5.118 64 HG11 VAL 7 1HG1 VAL 7 2.763 -6.780 -3.205 65 HG12 VAL 7 2HG1 VAL 7 3.041 -5.145 -2.603 66 HG13 VAL 7 3HG1 VAL 7 3.739 -5.648 -4.143 67 HG21 VAL 7 3HG2 VAL 7 -0.537 -5.157 -3.916 68 HG22 VAL 7 1HG2 VAL 7 0.416 -4.827 -2.466 69 HG23 VAL 7 2HG2 VAL 7 0.255 -6.484 -3.061 70 H LEU 8 H LEU 8 3.807 -2.288 -4.509 71 HA LEU 8 HA LEU 8 4.899 -2.882 -7.158 72 HB2 LEU 8 2HB LEU 8 5.872 -0.974 -4.999 73 HB3 LEU 8 1HB LEU 8 6.593 -1.144 -6.596 74 HG LEU 8 HG LEU 8 3.801 -0.096 -5.978 75 HD11 LEU 8 1HD1 LEU 8 4.626 2.025 -6.879 76 HD12 LEU 8 2HD1 LEU 8 6.235 1.326 -7.080 77 HD13 LEU 8 3HD1 LEU 8 5.544 1.514 -5.465 78 HD21 LEU 8 3HD2 LEU 8 5.103 -0.484 -8.699 79 HD22 LEU 8 1HD2 LEU 8 3.578 0.358 -8.393 80 HD23 LEU 8 2HD2 LEU 8 3.710 -1.365 -8.062 81 H SER 9 H SER 9 5.902 -3.195 -3.717 82 HA SER 9 HA SER 9 7.526 -5.547 -4.359 83 HB2 SER 9 2HB SER 9 8.811 -3.089 -3.078 84 HB3 SER 9 1HB SER 9 9.588 -4.655 -3.300 85 HG SER 9 HG SER 9 9.495 -4.351 -5.512 86 H TYR 10 H TYR 10 8.074 -6.824 -2.551 87 HA TYR 10 HA TYR 10 6.840 -6.164 0.074 88 HB2 TYR 10 2HB TYR 10 7.827 -8.921 -0.802 89 HB3 TYR 10 1HB TYR 10 6.802 -8.531 0.570 90 HD1 TYR 10 HD1 TYR 10 6.904 -8.939 -3.109 91 HD2 TYR 10 HD2 TYR 10 4.372 -8.346 0.284 92 HE1 TYR 10 HE1 TYR 10 4.955 -9.521 -4.472 93 HE2 TYR 10 HE2 TYR 10 2.417 -8.924 -1.094 94 HH TYR 10 HH TYR 10 1.811 -8.896 -3.540 95 H ARG 11 H ARG 11 8.226 -5.953 1.828 96 HA ARG 11 HA ARG 11 11.034 -6.920 1.627 97 HB2 ARG 11 2HB ARG 11 10.064 -4.385 3.044 98 HB3 ARG 11 1HB ARG 11 11.723 -4.978 3.031 99 HG2 ARG 11 2HG ARG 11 11.927 -4.514 0.648 100 HG3 ARG 11 1HG ARG 11 10.214 -4.094 0.541 101 HD2 ARG 11 2HD ARG 11 10.571 -2.145 1.977 102 HD3 ARG 11 1HD ARG 11 12.267 -2.585 2.202 103 HE ARG 11 HE ARG 11 11.509 -2.181 -0.560 104 HH11 ARG 11 1HH1 ARG 11 12.672 -0.534 2.343 105 HH12 ARG 11 2HH1 ARG 11 13.354 0.786 1.452 106 HH21 ARG 11 1HH2 ARG 11 12.432 -0.440 -1.687 107 HH22 ARG 11 2HH2 ARG 11 13.218 0.837 -0.817 108 H ARG 12 H ARG 12 11.182 -8.616 3.021 109 HA ARG 12 HA ARG 12 9.024 -9.220 4.817 110 HB2 ARG 12 2HB ARG 12 10.147 -10.937 3.421 111 HB3 ARG 12 1HB ARG 12 11.650 -10.683 4.297 112 HG2 ARG 12 2HG ARG 12 10.575 -11.535 6.366 113 HG3 ARG 12 1HG ARG 12 9.076 -11.794 5.471 114 HD2 ARG 12 2HD ARG 12 10.290 -13.898 5.719 115 HD3 ARG 12 1HD ARG 12 10.239 -13.428 4.018 116 HE ARG 12 HE ARG 12 12.617 -12.449 5.171 117 HH11 ARG 12 1HH1 ARG 12 11.214 -15.550 4.222 118 HH12 ARG 12 2HH1 ARG 12 12.756 -16.291 3.940 119 HH21 ARG 12 1HH2 ARG 12 14.617 -13.428 4.778 120 HH22 ARG 12 2HH2 ARG 12 14.691 -15.082 4.258 121 H SER 13 H SER 13 9.108 -9.560 7.062 122 HA SER 13 HA SER 13 10.623 -7.807 8.683 123 HB2 SER 13 2HB SER 13 9.554 -9.103 10.573 124 HB3 SER 13 1HB SER 13 8.398 -8.557 9.361 125 HG SER 13 HG SER 13 9.525 -11.161 9.551 126 H LYS 14 H LYS 14 12.815 -8.046 8.765 127 HA LYS 14 HA LYS 14 14.098 -10.387 9.835 128 HB2 LYS 14 2HB LYS 14 13.745 -11.086 7.449 129 HB3 LYS 14 1HB LYS 14 14.602 -9.656 6.899 130 HG2 LYS 14 2HG LYS 14 16.025 -11.640 6.742 131 HG3 LYS 14 1HG LYS 14 16.685 -10.490 7.910 132 HD2 LYS 14 2HD LYS 14 15.507 -11.913 9.729 133 HD3 LYS 14 1HD LYS 14 15.268 -13.128 8.468 134 HE2 LYS 14 2HE LYS 14 17.684 -13.323 8.165 135 HE3 LYS 14 1HE LYS 14 17.965 -12.020 9.323 136 HZ1 LYS 14 3HZ LYS 14 18.311 -14.169 10.337 137 HZ2 LYS 14 1HZ LYS 14 16.746 -14.660 9.937 138 HZ3 LYS 14 2HZ LYS 14 16.984 -13.410 11.051 139 H GLU 15 H GLU 15 16.370 -10.025 10.246 140 HA GLU 15 HA GLU 15 18.307 -8.987 10.698 141 HB2 GLU 15 2HB GLU 15 17.334 -6.757 8.868 142 HB3 GLU 15 1HB GLU 15 18.951 -6.847 9.560 143 HG2 GLU 15 2HG GLU 15 19.413 -8.893 8.286 144 HG3 GLU 15 1HG GLU 15 17.764 -8.882 7.643 145 H ASN 16 H ASN 16 16.324 -6.084 10.393 146 HA ASN 16 HA ASN 16 16.951 -5.272 13.160 147 HB2 ASN 16 2HB ASN 16 17.518 -3.813 11.123 148 HB3 ASN 16 1HB ASN 16 15.793 -3.617 10.860 149 HD21 ASN 16 1HD2 ASN 16 18.121 -1.791 11.596 150 HD22 ASN 16 2HD2 ASN 16 17.509 -0.849 12.911 151 H GLN 17 H GLN 17 15.124 -4.259 14.393 152 HA GLN 17 HA GLN 17 12.773 -5.900 14.358 153 HB2 GLN 17 2HB GLN 17 13.362 -3.434 16.057 154 HB3 GLN 17 1HB GLN 17 12.067 -4.594 16.340 155 HG2 GLN 17 2HG GLN 17 15.055 -5.068 16.587 156 HG3 GLN 17 1HG GLN 17 13.861 -5.055 17.885 157 HE21 GLN 17 1HE2 GLN 17 15.220 -6.909 15.256 158 HE22 GLN 17 2HE2 GLN 17 14.477 -8.416 15.672 159 H HIS 18 H HIS 18 11.901 -5.538 12.368 160 HA HIS 18 HA HIS 18 9.921 -3.399 12.255 161 HB2 HIS 18 2HB HIS 18 10.385 -2.754 9.946 162 HB3 HIS 18 1HB HIS 18 11.861 -2.537 10.870 163 HD1 HIS 18 HD1 HIS 18 10.462 -4.356 7.965 164 HD2 HIS 18 HD2 HIS 18 13.928 -4.470 10.252 165 HE1 HIS 18 HE1 HIS 18 12.098 -5.722 6.643 166 HE2 HIS 18 HE2 HIS 18 14.164 -5.817 8.068 167 H ASN 19 H ASN 19 8.152 -3.972 10.815 168 HA ASN 19 HA ASN 19 7.854 -6.881 10.431 169 HB2 ASN 19 2HB ASN 19 6.110 -5.152 11.578 170 HB3 ASN 19 1HB ASN 19 5.561 -4.980 9.915 171 HD21 ASN 19 1HD2 ASN 19 4.197 -6.128 12.216 172 HD22 ASN 19 2HD2 ASN 19 3.788 -7.748 11.787 173 H ASN 20 H ASN 20 6.032 -6.953 8.269 174 HA ASN 20 HA ASN 20 7.833 -6.782 6.068 175 HB2 ASN 20 2HB ASN 20 6.077 -8.503 6.132 176 HB3 ASN 20 1HB ASN 20 4.829 -7.267 6.059 177 HD21 ASN 20 1HD2 ASN 20 7.323 -8.930 4.239 178 HD22 ASN 20 2HD2 ASN 20 6.777 -8.456 2.674 179 H VAL 21 H VAL 21 8.411 -4.916 5.182 180 HA VAL 21 HA VAL 21 6.657 -2.587 5.069 181 HB VAL 21 HB VAL 21 9.574 -2.961 4.213 182 HG11 VAL 21 1HG1 VAL 21 7.903 -0.431 4.395 183 HG12 VAL 21 2HG1 VAL 21 8.548 -1.163 2.923 184 HG13 VAL 21 3HG1 VAL 21 9.647 -0.474 4.117 185 HG21 VAL 21 3HG2 VAL 21 8.431 -1.627 6.706 186 HG22 VAL 21 1HG2 VAL 21 10.141 -1.695 6.266 187 HG23 VAL 21 2HG2 VAL 21 9.272 -3.179 6.662 188 H MET 22 H MET 22 5.175 -2.777 3.441 189 HA MET 22 HA MET 22 5.988 -3.742 0.772 190 HB2 MET 22 2HB MET 22 3.945 -4.749 1.763 191 HB3 MET 22 1HB MET 22 3.211 -3.158 1.902 192 HG2 MET 22 2HG MET 22 3.245 -2.950 -0.569 193 HG3 MET 22 1HG MET 22 3.936 -4.567 -0.683 194 HE1 MET 22 3HE MET 22 2.607 -6.792 0.089 195 HE2 MET 22 1HE MET 22 0.941 -6.774 0.663 196 HE3 MET 22 2HE MET 22 2.225 -6.114 1.674 197 H ILE 23 H ILE 23 6.495 -2.268 -0.727 198 HA ILE 23 HA ILE 23 5.812 0.553 -0.486 199 HB ILE 23 HB ILE 23 7.148 -0.915 -2.821 200 HG12 ILE 23 2HG1 ILE 23 8.508 -1.145 -0.742 201 HG13 ILE 23 1HG1 ILE 23 9.325 -0.144 -1.932 202 HG21 ILE 23 1HG2 ILE 23 7.036 2.069 -2.204 203 HG22 ILE 23 2HG2 ILE 23 6.194 1.239 -3.516 204 HG23 ILE 23 3HG2 ILE 23 7.956 1.329 -3.521 205 HD11 ILE 23 3HD1 ILE 23 7.871 0.828 0.525 206 HD12 ILE 23 1HD1 ILE 23 8.660 1.861 -0.672 207 HD13 ILE 23 2HD1 ILE 23 9.616 0.734 0.290 208 H ILE 24 H ILE 24 3.836 1.246 -1.087 209 HA ILE 24 HA ILE 24 2.227 -0.280 -3.065 210 HB ILE 24 HB ILE 24 1.306 1.534 -0.784 211 HG12 ILE 24 2HG1 ILE 24 1.065 -1.494 -1.117 212 HG13 ILE 24 1HG1 ILE 24 2.152 -0.662 -0.008 213 HG21 ILE 24 1HG2 ILE 24 -1.012 0.865 -1.346 214 HG22 ILE 24 2HG2 ILE 24 -0.416 -0.025 -2.751 215 HG23 ILE 24 3HG2 ILE 24 -0.250 1.731 -2.683 216 HD11 ILE 24 3HD1 ILE 24 0.225 0.209 1.220 217 HD12 ILE 24 1HD1 ILE 24 0.229 -1.550 1.149 218 HD13 ILE 24 2HD1 ILE 24 -0.865 -0.636 0.116 219 H LYS 25 H LYS 25 1.098 0.861 -4.641 220 HA LYS 25 HA LYS 25 1.766 3.696 -5.145 221 HB2 LYS 25 2HB LYS 25 2.825 2.278 -6.821 222 HB3 LYS 25 1HB LYS 25 1.342 1.369 -7.072 223 HG2 LYS 25 2HG LYS 25 0.279 3.365 -8.056 224 HG3 LYS 25 1HG LYS 25 1.761 4.289 -7.787 225 HD2 LYS 25 2HD LYS 25 2.978 2.790 -9.335 226 HD3 LYS 25 1HD LYS 25 1.505 1.843 -9.587 227 HE2 LYS 25 2HE LYS 25 1.926 3.444 -11.437 228 HE3 LYS 25 1HE LYS 25 0.403 3.769 -10.607 229 HZ1 LYS 25 3HZ LYS 25 1.407 5.576 -9.445 230 HZ2 LYS 25 1HZ LYS 25 1.724 5.779 -11.090 231 HZ3 LYS 25 2HZ LYS 25 2.938 5.218 -10.052 232 HA PRO 26 HA PRO 26 -2.880 3.675 -4.712 233 HB2 PRO 26 2HB PRO 26 -2.428 6.583 -4.156 234 HB3 PRO 26 1HB PRO 26 -3.314 5.384 -3.190 235 HG2 PRO 26 2HG PRO 26 -0.941 6.359 -2.379 236 HG3 PRO 26 1HG PRO 26 -1.420 4.676 -2.060 237 HD2 PRO 26 2HD PRO 26 0.443 5.730 -4.187 238 HD3 PRO 26 1HD PRO 26 0.612 4.292 -3.154 239 H LEU 27 H LEU 27 -3.565 3.513 -6.761 240 HA LEU 27 HA LEU 27 -2.417 4.544 -9.053 241 HB2 LEU 27 2HB LEU 27 -5.255 3.575 -8.585 242 HB3 LEU 27 1HB LEU 27 -4.577 3.853 -10.187 243 HG LEU 27 HG LEU 27 -3.477 1.838 -8.187 244 HD11 LEU 27 1HD1 LEU 27 -5.249 1.361 -10.595 245 HD12 LEU 27 2HD1 LEU 27 -5.699 1.166 -8.898 246 HD13 LEU 27 3HD1 LEU 27 -4.480 0.113 -9.609 247 HD21 LEU 27 3HD2 LEU 27 -2.790 2.325 -11.109 248 HD22 LEU 27 1HD2 LEU 27 -2.207 0.970 -10.137 249 HD23 LEU 27 2HD2 LEU 27 -1.746 2.615 -9.714 250 H ASP 28 H ASP 28 -5.076 5.912 -7.173 251 HA ASP 28 HA ASP 28 -5.829 7.875 -9.134 252 HB2 ASP 28 2HB ASP 28 -7.433 6.886 -7.480 253 HB3 ASP 28 1HB ASP 28 -6.581 7.718 -6.177 254 H VAL 29 H VAL 29 -3.492 7.774 -6.542 255 HA VAL 29 HA VAL 29 -3.251 10.718 -6.411 256 HB VAL 29 HB VAL 29 -2.073 8.616 -4.540 257 HG11 VAL 29 1HG1 VAL 29 -0.730 10.666 -4.536 258 HG12 VAL 29 2HG1 VAL 29 -1.619 10.528 -3.019 259 HG13 VAL 29 3HG1 VAL 29 -2.177 11.644 -4.267 260 HG21 VAL 29 3HG2 VAL 29 -3.806 9.306 -2.927 261 HG22 VAL 29 1HG2 VAL 29 -4.540 8.657 -4.396 262 HG23 VAL 29 2HG2 VAL 29 -4.502 10.405 -4.119 263 H ASN 30 H ASN 30 -1.900 11.434 -7.941 264 HA ASN 30 HA ASN 30 0.641 10.125 -8.599 265 HB2 ASN 30 2HB ASN 30 -0.637 10.950 -10.487 266 HB3 ASN 30 1HB ASN 30 -0.820 12.537 -9.758 267 HD21 ASN 30 1HD2 ASN 30 0.906 13.997 -9.853 268 HD22 ASN 30 2HD2 ASN 30 2.257 13.778 -10.903 269 H SER 31 H SER 31 -0.455 12.587 -6.434 270 HA SER 31 HA SER 31 2.160 13.988 -6.462 271 HB2 SER 31 2HB SER 31 -0.487 14.930 -5.292 272 HB3 SER 31 1HB SER 31 1.004 15.872 -5.417 273 HG SER 31 HG SER 31 -0.879 15.269 -7.336 274 H ARG 32 H ARG 32 3.462 13.963 -4.748 275 HA ARG 32 HA ARG 32 3.307 12.037 -2.722 276 HB2 ARG 32 2HB ARG 32 5.472 12.900 -3.419 277 HB3 ARG 32 1HB ARG 32 5.018 14.545 -2.990 278 HG2 ARG 32 2HG ARG 32 4.995 13.903 -0.588 279 HG3 ARG 32 1HG ARG 32 5.477 12.265 -1.028 280 HD2 ARG 32 2HD ARG 32 7.654 12.968 -1.683 281 HD3 ARG 32 1HD ARG 32 7.170 14.669 -1.770 282 HE ARG 32 HE ARG 32 6.721 14.061 0.824 283 HH11 ARG 32 1HH1 ARG 32 9.606 13.635 -1.156 284 HH12 ARG 32 2HH1 ARG 32 10.680 13.838 0.188 285 HH21 ARG 32 1HH2 ARG 32 8.162 14.439 2.523 286 HH22 ARG 32 2HH2 ARG 32 9.871 14.296 2.254 287 H GLU 33 H GLU 33 2.622 15.538 -2.624 288 HA GLU 33 HA GLU 33 2.184 15.846 0.150 289 HB2 GLU 33 2HB GLU 33 1.107 17.452 -2.207 290 HB3 GLU 33 1HB GLU 33 1.021 17.979 -0.526 291 HG2 GLU 33 2HG GLU 33 3.430 18.122 -0.374 292 HG3 GLU 33 1HG GLU 33 3.628 17.383 -1.961 293 H GLU 34 H GLU 34 -0.038 15.100 -2.505 294 HA GLU 34 HA GLU 34 -2.436 15.070 -0.978 295 HB2 GLU 34 2HB GLU 34 -1.750 13.824 -3.669 296 HB3 GLU 34 1HB GLU 34 -3.366 13.774 -2.968 297 HG2 GLU 34 2HG GLU 34 -3.437 16.237 -2.936 298 HG3 GLU 34 1HG GLU 34 -1.822 16.293 -3.642 299 H ALA 35 H ALA 35 -0.041 12.577 -1.762 300 HA ALA 35 HA ALA 35 -1.391 10.427 -0.414 301 HB1 ALA 35 3HB ALA 35 0.312 10.015 -2.144 302 HB2 ALA 35 1HB ALA 35 0.764 9.244 -0.623 303 HB3 ALA 35 2HB ALA 35 1.550 10.744 -1.118 304 H SER 36 H SER 36 0.553 13.105 0.657 305 HA SER 36 HA SER 36 1.652 11.920 3.029 306 HB2 SER 36 2HB SER 36 2.761 13.762 1.763 307 HB3 SER 36 1HB SER 36 1.480 14.862 2.271 308 HG SER 36 HG SER 36 2.233 14.822 4.304 309 H LYS 37 H LYS 37 -1.156 14.029 2.365 310 HA LYS 37 HA LYS 37 -1.974 14.280 5.096 311 HB2 LYS 37 2HB LYS 37 -4.097 15.082 4.265 312 HB3 LYS 37 1HB LYS 37 -2.835 15.734 3.229 313 HG2 LYS 37 2HG LYS 37 -3.358 14.045 1.506 314 HG3 LYS 37 1HG LYS 37 -4.602 13.357 2.556 315 HD2 LYS 37 2HD LYS 37 -5.739 15.652 2.503 316 HD3 LYS 37 1HD LYS 37 -4.595 16.095 1.230 317 HE2 LYS 37 2HE LYS 37 -6.610 13.821 1.119 318 HE3 LYS 37 1HE LYS 37 -6.739 15.363 0.276 319 HZ1 LYS 37 3HZ LYS 37 -4.622 13.327 -0.178 320 HZ2 LYS 37 1HZ LYS 37 -4.779 14.794 -1.004 321 HZ3 LYS 37 2HZ LYS 37 -5.959 13.599 -1.174 322 H LEU 38 H LEU 38 -2.056 11.685 2.859 323 HA LEU 38 HA LEU 38 -4.329 10.282 4.012 324 HB2 LEU 38 2HB LEU 38 -2.427 9.623 1.752 325 HB3 LEU 38 1HB LEU 38 -3.743 8.575 2.246 326 HG LEU 38 HG LEU 38 -4.071 11.374 1.109 327 HD11 LEU 38 1HD1 LEU 38 -3.235 9.828 -0.582 328 HD12 LEU 38 2HD1 LEU 38 -4.922 10.223 -0.908 329 HD13 LEU 38 3HD1 LEU 38 -4.503 8.661 -0.192 330 HD21 LEU 38 3HD2 LEU 38 -6.474 10.822 0.996 331 HD22 LEU 38 1HD2 LEU 38 -5.887 10.814 2.656 332 HD23 LEU 38 2HD2 LEU 38 -6.167 9.288 1.813 333 H ILE 39 H ILE 39 -1.200 10.585 5.050 334 HA ILE 39 HA ILE 39 -0.420 7.880 5.475 335 HB ILE 39 HB ILE 39 0.444 10.390 6.975 336 HG12 ILE 39 2HG1 ILE 39 1.050 10.607 4.652 337 HG13 ILE 39 1HG1 ILE 39 2.523 10.162 5.501 338 HG21 ILE 39 1HG2 ILE 39 1.746 7.643 6.997 339 HG22 ILE 39 2HG2 ILE 39 0.918 8.412 8.351 340 HG23 ILE 39 3HG2 ILE 39 2.417 9.102 7.733 341 HD11 ILE 39 3HD1 ILE 39 2.420 8.993 3.436 342 HD12 ILE 39 1HD1 ILE 39 0.796 8.403 3.773 343 HD13 ILE 39 2HD1 ILE 39 2.165 7.816 4.722 344 H GLY 40 H GLY 40 -0.871 6.464 7.052 345 HA2 GLY 40 2HA GLY 40 -1.257 5.929 9.359 346 HA3 GLY 40 1HA GLY 40 -2.359 7.291 9.476 347 H ARG 41 H ARG 41 -3.116 6.026 6.559 348 HA ARG 41 HA ARG 41 -5.507 4.773 7.630 349 HB2 ARG 41 2HB ARG 41 -6.275 4.695 5.278 350 HB3 ARG 41 1HB ARG 41 -5.755 6.304 5.764 351 HG2 ARG 41 2HG ARG 41 -3.542 5.779 4.579 352 HG3 ARG 41 1HG ARG 41 -4.361 4.370 3.901 353 HD2 ARG 41 2HD ARG 41 -6.191 6.133 3.150 354 HD3 ARG 41 1HD ARG 41 -4.908 7.313 3.405 355 HE ARG 41 HE ARG 41 -5.259 5.611 1.177 356 HH11 ARG 41 1HH1 ARG 41 -2.568 6.919 3.065 357 HH12 ARG 41 2HH1 ARG 41 -1.462 6.822 1.741 358 HH21 ARG 41 1HH2 ARG 41 -3.791 5.568 -0.542 359 HH22 ARG 41 2HH2 ARG 41 -2.154 6.060 -0.291 360 H LEU 42 H LEU 42 -6.286 2.688 6.955 361 HA LEU 42 HA LEU 42 -4.172 0.669 7.202 362 HB2 LEU 42 2HB LEU 42 -6.106 0.672 8.773 363 HB3 LEU 42 1HB LEU 42 -7.208 0.467 7.425 364 HG LEU 42 HG LEU 42 -6.188 -1.796 6.983 365 HD11 LEU 42 1HD1 LEU 42 -4.660 -1.312 9.549 366 HD12 LEU 42 2HD1 LEU 42 -3.979 -1.440 7.926 367 HD13 LEU 42 3HD1 LEU 42 -4.751 -2.839 8.665 368 HD21 LEU 42 3HD2 LEU 42 -8.244 -1.616 8.295 369 HD22 LEU 42 1HD2 LEU 42 -7.308 -1.432 9.782 370 HD23 LEU 42 2HD2 LEU 42 -7.247 -2.948 8.874 371 H VAL 43 H VAL 43 -3.971 -1.052 5.752 372 HA VAL 43 HA VAL 43 -5.357 -0.815 3.144 373 HB VAL 43 HB VAL 43 -2.574 -1.987 3.623 374 HG11 VAL 43 1HG1 VAL 43 -2.376 -1.938 1.156 375 HG12 VAL 43 2HG1 VAL 43 -4.029 -1.334 1.031 376 HG13 VAL 43 3HG1 VAL 43 -3.728 -2.951 1.672 377 HG21 VAL 43 3HG2 VAL 43 -1.661 0.038 2.547 378 HG22 VAL 43 1HG2 VAL 43 -2.519 0.436 4.039 379 HG23 VAL 43 2HG2 VAL 43 -3.280 0.737 2.474 380 H LEU 44 H LEU 44 -6.474 -2.542 2.542 381 HA LEU 44 HA LEU 44 -6.152 -5.159 3.887 382 HB2 LEU 44 2HB LEU 44 -8.596 -4.053 2.426 383 HB3 LEU 44 1HB LEU 44 -8.504 -5.583 3.291 384 HG LEU 44 HG LEU 44 -8.367 -2.813 4.551 385 HD11 LEU 44 1HD1 LEU 44 -10.593 -3.328 3.728 386 HD12 LEU 44 2HD1 LEU 44 -10.568 -3.336 5.490 387 HD13 LEU 44 3HD1 LEU 44 -10.596 -4.865 4.603 388 HD21 LEU 44 3HD2 LEU 44 -7.017 -4.383 5.836 389 HD22 LEU 44 1HD2 LEU 44 -8.355 -5.537 5.891 390 HD23 LEU 44 2HD2 LEU 44 -8.487 -3.983 6.719 391 H TRP 45 H TRP 45 -4.818 -6.285 2.572 392 HA TRP 45 HA TRP 45 -5.431 -6.438 -0.329 393 HB2 TRP 45 2HB TRP 45 -3.327 -5.201 -0.058 394 HB3 TRP 45 1HB TRP 45 -2.679 -6.460 0.998 395 HD1 TRP 45 HD1 TRP 45 -3.824 -6.073 -2.704 396 HE1 TRP 45 HE1 TRP 45 -2.444 -7.682 -4.148 397 HE3 TRP 45 HE3 TRP 45 -1.206 -8.411 0.978 398 HZ2 TRP 45 HZ2 TRP 45 -0.511 -9.674 -3.780 399 HZ3 TRP 45 HZ3 TRP 45 0.400 -10.172 0.355 400 HH2 TRP 45 HH2 TRP 45 0.737 -10.794 -1.979 401 H LYS 46 H LYS 46 -5.992 -8.417 -0.920 402 HA LYS 46 HA LYS 46 -5.687 -10.736 0.792 403 HB2 LYS 46 2HB LYS 46 -7.767 -10.329 -0.575 404 HB3 LYS 46 1HB LYS 46 -6.809 -10.525 -2.040 405 HG2 LYS 46 2HG LYS 46 -6.244 -12.882 -1.161 406 HG3 LYS 46 1HG LYS 46 -7.525 -12.624 0.030 407 HD2 LYS 46 2HD LYS 46 -9.125 -12.237 -1.878 408 HD3 LYS 46 1HD LYS 46 -7.822 -12.638 -3.003 409 HE2 LYS 46 2HE LYS 46 -9.172 -14.611 -2.724 410 HE3 LYS 46 1HE LYS 46 -7.654 -14.893 -1.874 411 HZ1 LYS 46 3HZ LYS 46 -9.465 -15.632 -0.523 412 HZ2 LYS 46 1HZ LYS 46 -10.257 -14.149 -0.654 413 HZ3 LYS 46 2HZ LYS 46 -8.805 -14.256 0.200 414 H SER 47 H SER 47 -3.844 -11.935 0.741 415 HA SER 47 HA SER 47 -1.838 -11.859 -1.247 416 HB2 SER 47 2HB SER 47 -0.904 -13.861 -0.070 417 HB3 SER 47 1HB SER 47 -1.367 -12.597 1.070 418 HG SER 47 HG SER 47 -2.774 -13.905 1.915 419 HA PRO 48 HA PRO 48 -3.467 -14.733 -4.379 420 HB2 PRO 48 2HB PRO 48 -1.117 -16.002 -5.201 421 HB3 PRO 48 1HB PRO 48 -1.631 -14.391 -5.750 422 HG2 PRO 48 2HG PRO 48 0.342 -15.104 -3.600 423 HG3 PRO 48 1HG PRO 48 0.438 -13.835 -4.842 424 HD2 PRO 48 2HD PRO 48 -0.247 -13.254 -2.290 425 HD3 PRO 48 1HD PRO 48 -0.958 -12.375 -3.659 426 H SER 49 H SER 49 -1.769 -15.762 -1.557 427 HA SER 49 HA SER 49 -2.347 -18.547 -1.570 428 HB2 SER 49 2HB SER 49 -2.001 -16.667 0.811 429 HB3 SER 49 1HB SER 49 -1.819 -18.426 0.830 430 HG SER 49 HG SER 49 0.093 -18.243 -0.056 431 H GLY 50 H GLY 50 -4.066 -15.669 -0.331 432 HA2 GLY 50 2HA GLY 50 -6.577 -15.893 -0.725 433 HA3 GLY 50 1HA GLY 50 -6.468 -17.305 0.316 434 H LYS 51 H LYS 51 -4.317 -15.710 1.850 435 HA LYS 51 HA LYS 51 -6.109 -14.914 3.952 436 HB2 LYS 51 2HB LYS 51 -3.063 -14.682 3.765 437 HB3 LYS 51 1HB LYS 51 -4.001 -14.346 5.209 438 HG2 LYS 51 2HG LYS 51 -3.108 -16.481 5.575 439 HG3 LYS 51 1HG LYS 51 -4.778 -16.785 5.110 440 HD2 LYS 51 2HD LYS 51 -4.062 -17.402 2.839 441 HD3 LYS 51 1HD LYS 51 -2.386 -17.018 3.237 442 HE2 LYS 51 2HE LYS 51 -2.824 -19.458 3.289 443 HE3 LYS 51 1HE LYS 51 -2.324 -18.849 4.866 444 HZ1 LYS 51 3HZ LYS 51 -4.597 -18.890 5.601 445 HZ2 LYS 51 1HZ LYS 51 -4.197 -20.415 4.983 446 HZ3 LYS 51 2HZ LYS 51 -5.141 -19.351 4.068 447 H ILE 52 H ILE 52 -6.981 -12.934 4.178 448 HA ILE 52 HA ILE 52 -6.066 -10.631 2.666 449 HB ILE 52 HB ILE 52 -8.247 -10.793 4.805 450 HG12 ILE 52 2HG1 ILE 52 -8.478 -10.738 1.756 451 HG13 ILE 52 1HG1 ILE 52 -8.721 -12.158 2.766 452 HG21 ILE 52 1HG2 ILE 52 -9.010 -8.582 3.961 453 HG22 ILE 52 2HG2 ILE 52 -7.623 -8.518 2.872 454 HG23 ILE 52 3HG2 ILE 52 -7.375 -8.488 4.620 455 HD11 ILE 52 3HD1 ILE 52 -10.673 -11.081 3.793 456 HD12 ILE 52 1HD1 ILE 52 -10.831 -11.243 2.045 457 HD13 ILE 52 2HD1 ILE 52 -10.442 -9.674 2.748 458 H LEU 53 H LEU 53 -4.258 -9.750 3.303 459 HA LEU 53 HA LEU 53 -3.329 -9.643 6.051 460 HB2 LEU 53 2HB LEU 53 -1.975 -8.391 3.639 461 HB3 LEU 53 1HB LEU 53 -1.235 -8.974 5.126 462 HG LEU 53 HG LEU 53 -2.411 -10.700 2.904 463 HD11 LEU 53 1HD1 LEU 53 -0.337 -9.668 2.248 464 HD12 LEU 53 2HD1 LEU 53 -0.102 -11.395 2.497 465 HD13 LEU 53 3HD1 LEU 53 0.458 -10.242 3.713 466 HD21 LEU 53 3HD2 LEU 53 -1.029 -11.614 5.449 467 HD22 LEU 53 1HD2 LEU 53 -1.513 -12.647 4.100 468 HD23 LEU 53 2HD2 LEU 53 -2.737 -11.818 5.054 469 H LYS 54 H LYS 54 -2.702 -7.642 7.047 470 HA LYS 54 HA LYS 54 -4.124 -5.204 6.146 471 HB2 LYS 54 2HB LYS 54 -3.747 -6.269 8.974 472 HB3 LYS 54 1HB LYS 54 -4.424 -4.688 8.590 473 HG2 LYS 54 2HG LYS 54 -6.399 -5.645 7.651 474 HG3 LYS 54 1HG LYS 54 -5.688 -7.259 7.592 475 HD2 LYS 54 2HD LYS 54 -7.336 -7.031 9.434 476 HD3 LYS 54 1HD LYS 54 -5.720 -7.421 10.023 477 HE2 LYS 54 2HE LYS 54 -5.422 -4.926 10.489 478 HE3 LYS 54 1HE LYS 54 -7.147 -4.747 10.150 479 HZ1 LYS 54 3HZ LYS 54 -5.960 -6.490 12.244 480 HZ2 LYS 54 1HZ LYS 54 -7.611 -6.321 11.922 481 HZ3 LYS 54 2HZ LYS 54 -6.732 -5.008 12.511 482 H GLY 55 H GLY 55 -2.991 -3.254 6.425 483 HA2 GLY 55 2HA GLY 55 -0.424 -3.184 7.799 484 HA3 GLY 55 1HA GLY 55 -0.326 -3.070 6.046 485 H LYS 56 H LYS 56 0.015 -1.161 8.536 486 HA LYS 56 HA LYS 56 -1.781 1.025 7.704 487 HB2 LYS 56 2HB LYS 56 -1.542 0.646 10.136 488 HB3 LYS 56 1HB LYS 56 0.198 0.910 10.020 489 HG2 LYS 56 2HG LYS 56 -0.269 3.251 9.206 490 HG3 LYS 56 1HG LYS 56 -1.988 2.961 9.483 491 HD2 LYS 56 2HD LYS 56 0.186 2.897 11.611 492 HD3 LYS 56 1HD LYS 56 -0.914 4.245 11.316 493 HE2 LYS 56 2HE LYS 56 -2.833 2.826 11.935 494 HE3 LYS 56 1HE LYS 56 -1.746 1.457 12.200 495 HZ1 LYS 56 3HZ LYS 56 -2.322 2.579 14.270 496 HZ2 LYS 56 1HZ LYS 56 -1.660 4.026 13.692 497 HZ3 LYS 56 2HZ LYS 56 -0.666 2.686 13.961 498 H ILE 57 H ILE 57 -1.121 2.595 6.413 499 HA ILE 57 HA ILE 57 1.530 2.795 5.343 500 HB ILE 57 HB ILE 57 -0.889 4.640 5.119 501 HG12 ILE 57 2HG1 ILE 57 0.220 2.588 3.145 502 HG13 ILE 57 1HG1 ILE 57 -1.146 2.302 4.216 503 HG21 ILE 57 1HG2 ILE 57 0.244 5.679 3.182 504 HG22 ILE 57 2HG2 ILE 57 1.681 4.699 3.490 505 HG23 ILE 57 3HG2 ILE 57 1.171 5.914 4.665 506 HD11 ILE 57 3HD1 ILE 57 -2.366 4.117 3.090 507 HD12 ILE 57 1HD1 ILE 57 -1.928 2.777 2.027 508 HD13 ILE 57 2HD1 ILE 57 -1.016 4.283 1.958 509 H VAL 58 H VAL 58 3.184 3.728 6.329 510 HA VAL 58 HA VAL 58 2.740 5.626 8.572 511 HB VAL 58 HB VAL 58 4.919 4.727 9.498 512 HG11 VAL 58 1HG1 VAL 58 3.970 2.609 10.362 513 HG12 VAL 58 2HG1 VAL 58 2.720 2.649 9.115 514 HG13 VAL 58 3HG1 VAL 58 2.759 3.896 10.365 515 HG21 VAL 58 3HG2 VAL 58 4.629 2.653 7.279 516 HG22 VAL 58 1HG2 VAL 58 5.802 2.580 8.602 517 HG23 VAL 58 2HG2 VAL 58 5.902 3.871 7.403 518 H ARG 59 H ARG 59 3.850 5.587 5.423 519 HA ARG 59 HA ARG 59 5.111 8.149 5.612 520 HB2 ARG 59 2HB ARG 59 6.975 6.594 6.380 521 HB3 ARG 59 1HB ARG 59 6.937 5.832 4.799 522 HG2 ARG 59 2HG ARG 59 8.799 7.436 5.035 523 HG3 ARG 59 1HG ARG 59 7.695 7.896 3.740 524 HD2 ARG 59 2HD ARG 59 8.463 9.827 5.111 525 HD3 ARG 59 1HD ARG 59 6.708 9.635 5.123 526 HE ARG 59 HE ARG 59 7.463 8.278 7.330 527 HH11 ARG 59 1HH1 ARG 59 8.238 11.567 6.303 528 HH12 ARG 59 2HH1 ARG 59 8.405 12.143 7.931 529 HH21 ARG 59 1HH2 ARG 59 7.664 9.069 9.423 530 HH22 ARG 59 2HH2 ARG 59 8.077 10.734 9.696 531 H VAL 60 H VAL 60 5.629 9.039 3.496 532 HA VAL 60 HA VAL 60 4.329 7.775 1.181 533 HB VAL 60 HB VAL 60 4.972 9.906 -0.040 534 HG11 VAL 60 1HG1 VAL 60 3.379 10.345 2.505 535 HG12 VAL 60 2HG1 VAL 60 2.757 9.692 0.988 536 HG13 VAL 60 3HG1 VAL 60 3.327 11.360 1.059 537 HG21 VAL 60 3HG2 VAL 60 6.966 10.536 1.275 538 HG22 VAL 60 1HG2 VAL 60 5.959 10.838 2.695 539 HG23 VAL 60 2HG2 VAL 60 5.794 11.856 1.261 540 H HIS 61 H HIS 61 5.602 7.917 -0.921 541 HA HIS 61 HA HIS 61 8.482 7.471 -0.654 542 HB2 HIS 61 2HB HIS 61 7.462 5.214 -0.370 543 HB3 HIS 61 1HB HIS 61 6.610 5.405 -1.900 544 HD1 HIS 61 HD1 HIS 61 7.812 4.620 -3.938 545 HD2 HIS 61 HD2 HIS 61 10.403 5.174 -0.735 546 HE1 HIS 61 HE1 HIS 61 10.053 3.830 -4.737 547 HE2 HIS 61 HE2 HIS 61 11.628 4.358 -2.854 548 H GLY 62 H GLY 62 9.138 9.086 -1.962 549 HA2 GLY 62 2HA GLY 62 9.720 10.100 -3.933 550 HA3 GLY 62 1HA GLY 62 8.771 8.906 -4.809 551 H THR 63 H THR 63 8.692 11.256 -5.872 552 HA THR 63 HA THR 63 6.403 12.849 -4.969 553 HB THR 63 HB THR 63 7.038 14.298 -6.986 554 HG1 THR 63 HG1 THR 63 8.413 13.469 -8.346 555 HG21 THR 63 3HG2 THR 63 7.847 14.827 -4.695 556 HG22 THR 63 1HG2 THR 63 9.026 15.280 -5.931 557 HG23 THR 63 2HG2 THR 63 9.265 13.817 -4.974 558 H LYS 64 H LYS 64 6.520 9.995 -6.385 559 HA LYS 64 HA LYS 64 4.663 10.423 -8.604 560 HB2 LYS 64 2HB LYS 64 6.210 8.011 -7.584 561 HB3 LYS 64 1HB LYS 64 4.916 7.824 -8.764 562 HG2 LYS 64 2HG LYS 64 7.455 9.458 -9.135 563 HG3 LYS 64 1HG LYS 64 7.100 7.889 -9.870 564 HD2 LYS 64 2HD LYS 64 5.597 10.497 -10.380 565 HD3 LYS 64 1HD LYS 64 6.736 9.724 -11.483 566 HE2 LYS 64 2HE LYS 64 5.237 7.918 -11.927 567 HE3 LYS 64 1HE LYS 64 4.208 8.327 -10.556 568 HZ1 LYS 64 3HZ LYS 64 4.546 9.984 -12.993 569 HZ2 LYS 64 1HZ LYS 64 3.542 10.343 -11.682 570 HZ3 LYS 64 2HZ LYS 64 3.217 8.998 -12.650 571 H GLY 65 H GLY 65 4.139 10.566 -5.478 572 HA2 GLY 65 2HA GLY 65 2.198 10.502 -4.261 573 HA3 GLY 65 1HA GLY 65 1.364 9.916 -5.692 574 H ALA 66 H ALA 66 4.046 8.026 -4.869 575 HA ALA 66 HA ALA 66 2.436 5.790 -4.038 576 HB1 ALA 66 3HB ALA 66 5.456 6.063 -4.247 577 HB2 ALA 66 1HB ALA 66 4.386 5.448 -5.506 578 HB3 ALA 66 2HB ALA 66 4.574 4.556 -3.995 579 H VAL 67 H VAL 67 3.031 4.565 -2.078 580 HA VAL 67 HA VAL 67 3.827 6.211 0.231 581 HB VAL 67 HB VAL 67 1.965 5.142 1.573 582 HG11 VAL 67 1HG1 VAL 67 0.173 6.656 0.813 583 HG12 VAL 67 2HG1 VAL 67 1.045 6.937 -0.697 584 HG13 VAL 67 3HG1 VAL 67 1.744 7.464 0.837 585 HG21 VAL 67 3HG2 VAL 67 -0.011 4.224 0.363 586 HG22 VAL 67 1HG2 VAL 67 1.434 3.228 0.144 587 HG23 VAL 67 2HG2 VAL 67 0.898 4.303 -1.149 588 H ARG 68 H ARG 68 3.788 4.603 2.246 589 HA ARG 68 HA ARG 68 5.191 2.090 1.641 590 HB2 ARG 68 2HB ARG 68 6.862 3.988 1.824 591 HB3 ARG 68 1HB ARG 68 6.297 4.308 3.456 592 HG2 ARG 68 2HG ARG 68 7.448 1.612 2.683 593 HG3 ARG 68 1HG ARG 68 8.496 2.961 3.111 594 HD2 ARG 68 2HD ARG 68 6.344 1.816 4.926 595 HD3 ARG 68 1HD ARG 68 8.047 1.375 4.993 596 HE ARG 68 HE ARG 68 6.844 3.922 5.812 597 HH11 ARG 68 1HH1 ARG 68 9.798 2.016 5.442 598 HH12 ARG 68 2HH1 ARG 68 10.725 3.038 6.496 599 HH21 ARG 68 1HH2 ARG 68 8.087 5.222 7.229 600 HH22 ARG 68 2HH2 ARG 68 9.756 4.845 7.502 601 H ALA 69 H ALA 69 4.145 0.588 2.791 602 HA ALA 69 HA ALA 69 2.754 1.310 5.313 603 HB1 ALA 69 3HB ALA 69 1.947 -0.793 3.267 604 HB2 ALA 69 1HB ALA 69 1.191 0.791 3.476 605 HB3 ALA 69 2HB ALA 69 1.088 -0.410 4.765 606 H ARG 70 H ARG 70 2.967 -0.013 7.055 607 HA ARG 70 HA ARG 70 4.785 -2.326 6.978 608 HB2 ARG 70 2HB ARG 70 3.522 -0.846 9.332 609 HB3 ARG 70 1HB ARG 70 4.620 -2.218 9.480 610 HG2 ARG 70 2HG ARG 70 6.433 -0.891 8.483 611 HG3 ARG 70 1HG ARG 70 5.333 0.479 8.275 612 HD2 ARG 70 2HD ARG 70 5.053 0.663 10.697 613 HD3 ARG 70 1HD ARG 70 6.048 -0.778 10.951 614 HE ARG 70 HE ARG 70 7.192 1.587 9.620 615 HH11 ARG 70 1HH1 ARG 70 7.163 -0.546 12.426 616 HH12 ARG 70 2HH1 ARG 70 8.652 0.080 13.053 617 HH21 ARG 70 1HH2 ARG 70 9.134 2.372 10.457 618 HH22 ARG 70 2HH2 ARG 70 9.760 1.726 11.937 619 H PHE 71 H PHE 71 3.538 -3.982 6.134 620 HA PHE 71 HA PHE 71 0.920 -4.647 7.108 621 HB2 PHE 71 2HB PHE 71 2.874 -5.974 5.214 622 HB3 PHE 71 1HB PHE 71 1.486 -6.880 5.811 623 HD1 PHE 71 HD1 PHE 71 2.260 -3.528 4.268 624 HD2 PHE 71 HD2 PHE 71 -0.484 -6.806 4.546 625 HE1 PHE 71 HE1 PHE 71 0.828 -2.488 2.572 626 HE2 PHE 71 HE2 PHE 71 -1.907 -5.753 2.843 627 HZ PHE 71 HZ PHE 71 -1.252 -3.594 1.857 628 H GLU 72 H GLU 72 0.412 -5.707 8.870 629 HA GLU 72 HA GLU 72 2.238 -6.590 10.818 630 HB2 GLU 72 2HB GLU 72 0.254 -7.487 12.009 631 HB3 GLU 72 1HB GLU 72 -0.004 -5.843 11.436 632 HG2 GLU 72 2HG GLU 72 -1.431 -6.595 9.656 633 HG3 GLU 72 1HG GLU 72 -1.014 -8.283 9.945 634 H LYS 73 H LYS 73 0.509 -8.300 8.279 635 HA LYS 73 HA LYS 73 1.654 -10.906 9.063 636 HB2 LYS 73 2HB LYS 73 -0.475 -10.262 6.968 637 HB3 LYS 73 1HB LYS 73 0.054 -11.878 7.437 638 HG2 LYS 73 2HG LYS 73 -1.410 -9.878 9.196 639 HG3 LYS 73 1HG LYS 73 -2.096 -11.336 8.465 640 HD2 LYS 73 2HD LYS 73 -0.588 -12.745 9.834 641 HD3 LYS 73 1HD LYS 73 0.148 -11.301 10.535 642 HE2 LYS 73 2HE LYS 73 -1.979 -10.706 11.592 643 HE3 LYS 73 1HE LYS 73 -2.764 -12.100 10.839 644 HZ1 LYS 73 3HZ LYS 73 -0.505 -12.253 12.767 645 HZ2 LYS 73 1HZ LYS 73 -1.332 -13.562 12.093 646 HZ3 LYS 73 2HZ LYS 73 -2.128 -12.512 13.152 647 H GLY 74 H GLY 74 0.994 -9.193 5.978 648 HA2 GLY 74 2HA GLY 74 2.204 -8.896 4.068 649 HA3 GLY 74 1HA GLY 74 3.569 -8.696 5.145 650 H LEU 75 H LEU 75 1.592 -11.503 4.236 651 HA LEU 75 HA LEU 75 3.730 -13.306 3.935 652 HB2 LEU 75 2HB LEU 75 0.867 -13.392 2.901 653 HB3 LEU 75 1HB LEU 75 1.986 -14.739 2.738 654 HG LEU 75 HG LEU 75 0.958 -13.582 5.363 655 HD11 LEU 75 1HD1 LEU 75 -0.223 -15.724 5.604 656 HD12 LEU 75 2HD1 LEU 75 0.320 -16.214 3.997 657 HD13 LEU 75 3HD1 LEU 75 -0.763 -14.831 4.185 658 HD21 LEU 75 3HD2 LEU 75 2.842 -15.927 4.898 659 HD22 LEU 75 1HD2 LEU 75 2.116 -15.483 6.449 660 HD23 LEU 75 2HD2 LEU 75 3.245 -14.386 5.659 661 HA PRO 76 HA PRO 76 5.274 -12.104 -0.120 662 HB2 PRO 76 2HB PRO 76 6.647 -14.406 -0.770 663 HB3 PRO 76 1HB PRO 76 7.224 -13.267 0.467 664 HG2 PRO 76 2HG PRO 76 5.669 -15.824 0.847 665 HG3 PRO 76 1HG PRO 76 7.119 -15.263 1.713 666 HD2 PRO 76 2HD PRO 76 4.679 -14.975 2.795 667 HD3 PRO 76 1HD PRO 76 5.927 -13.728 3.011 668 H GLY 77 H GLY 77 5.286 -12.875 -2.394 669 HA2 GLY 77 2HA GLY 77 3.839 -14.952 -3.514 670 HA3 GLY 77 1HA GLY 77 2.684 -13.634 -3.298 671 H GLN 78 H GLN 78 3.407 -14.633 -5.835 672 HA GLN 78 HA GLN 78 5.242 -12.671 -7.037 673 HB2 GLN 78 2HB GLN 78 5.207 -15.165 -7.632 674 HB3 GLN 78 1HB GLN 78 3.664 -14.885 -8.429 675 HG2 GLN 78 2HG GLN 78 4.795 -13.293 -9.982 676 HG3 GLN 78 1HG GLN 78 6.332 -13.634 -9.186 677 HE21 GLN 78 1HE2 GLN 78 7.284 -14.447 -11.067 678 HE22 GLN 78 2HE2 GLN 78 6.826 -15.956 -11.770 679 H ALA 79 H ALA 79 2.998 -11.558 -5.844 680 HA ALA 79 HA ALA 79 1.036 -10.896 -7.933 681 HB1 ALA 79 3HB ALA 79 0.138 -11.827 -5.844 682 HB2 ALA 79 1HB ALA 79 -0.388 -10.158 -6.061 683 HB3 ALA 79 2HB ALA 79 0.903 -10.534 -4.918 684 H LEU 80 H LEU 80 3.821 -9.796 -7.733 685 HA LEU 80 HA LEU 80 3.743 -7.012 -7.201 686 HB2 LEU 80 2HB LEU 80 5.316 -8.486 -9.369 687 HB3 LEU 80 1HB LEU 80 5.641 -6.850 -8.810 688 HG LEU 80 HG LEU 80 5.984 -9.404 -7.182 689 HD11 LEU 80 1HD1 LEU 80 8.066 -7.506 -8.309 690 HD12 LEU 80 2HD1 LEU 80 7.716 -9.142 -8.882 691 HD13 LEU 80 3HD1 LEU 80 8.380 -8.899 -7.269 692 HD21 LEU 80 3HD2 LEU 80 6.552 -6.536 -6.372 693 HD22 LEU 80 1HD2 LEU 80 6.964 -7.975 -5.437 694 HD23 LEU 80 2HD2 LEU 80 5.276 -7.571 -5.727 695 H GLY 81 H GLY 81 2.185 -5.729 -8.025 696 HA2 GLY 81 2HA GLY 81 1.417 -4.497 -10.001 697 HA3 GLY 81 1HA GLY 81 1.320 -6.022 -10.862 698 H ASP 82 H ASP 82 0.252 -6.960 -7.982 699 HA ASP 82 HA ASP 82 -2.518 -6.902 -8.792 700 HB2 ASP 82 2HB ASP 82 -1.490 -8.932 -7.729 701 HB3 ASP 82 1HB ASP 82 -1.312 -8.026 -6.220 702 H TYR 83 H TYR 83 -4.275 -6.194 -7.391 703 HA TYR 83 HA TYR 83 -3.764 -3.436 -6.614 704 HB2 TYR 83 2HB TYR 83 -6.358 -4.973 -7.070 705 HB3 TYR 83 1HB TYR 83 -6.250 -3.235 -6.781 706 HD1 TYR 83 HD2 TYR 83 -5.314 -1.740 -8.508 707 HD2 TYR 83 HD1 TYR 83 -5.766 -5.913 -9.284 708 HE1 TYR 83 HE2 TYR 83 -5.048 -1.317 -10.901 709 HE2 TYR 83 HE1 TYR 83 -5.482 -5.491 -11.694 710 HH TYR 83 HH TYR 83 -4.355 -2.518 -12.925 711 H VAL 84 H VAL 84 -3.922 -2.645 -4.610 712 HA VAL 84 HA VAL 84 -4.935 -4.282 -2.370 713 HB VAL 84 HB VAL 84 -3.837 -2.727 -0.864 714 HG11 VAL 84 1HG1 VAL 84 -1.917 -3.360 -3.127 715 HG12 VAL 84 2HG1 VAL 84 -2.351 -4.425 -1.792 716 HG13 VAL 84 3HG1 VAL 84 -1.459 -2.941 -1.471 717 HG21 VAL 84 3HG2 VAL 84 -3.040 -1.021 -3.242 718 HG22 VAL 84 1HG2 VAL 84 -2.586 -0.741 -1.559 719 HG23 VAL 84 2HG2 VAL 84 -4.274 -0.603 -2.052 720 H GLU 85 H GLU 85 -6.585 -3.414 -0.978 721 HA GLU 85 HA GLU 85 -8.087 -1.039 -1.964 722 HB2 GLU 85 2HB GLU 85 -9.149 -3.298 -0.209 723 HB3 GLU 85 1HB GLU 85 -10.082 -1.971 -0.904 724 HG2 GLU 85 2HG GLU 85 -9.597 -2.884 -3.182 725 HG3 GLU 85 1HG GLU 85 -8.753 -4.239 -2.433 726 H ILE 86 H ILE 86 -7.506 0.676 -0.770 727 HA ILE 86 HA ILE 86 -6.496 0.344 1.975 728 HB ILE 86 HB ILE 86 -6.403 2.806 0.164 729 HG12 ILE 86 2HG1 ILE 86 -4.124 0.873 0.777 730 HG13 ILE 86 1HG1 ILE 86 -5.062 0.825 -0.715 731 HG21 ILE 86 1HG2 ILE 86 -4.705 3.628 1.767 732 HG22 ILE 86 2HG2 ILE 86 -4.960 2.192 2.764 733 HG23 ILE 86 3HG2 ILE 86 -6.267 3.358 2.544 734 HD11 ILE 86 3HD1 ILE 86 -3.332 3.133 0.211 735 HD12 ILE 86 1HD1 ILE 86 -4.257 3.062 -1.294 736 HD13 ILE 86 2HD1 ILE 86 -2.921 1.944 -1.026 737 H VAL 87 H VAL 87 -7.848 0.778 3.636 738 HA VAL 87 HA VAL 87 -10.281 2.413 3.173 739 HB VAL 87 HB VAL 87 -9.952 0.220 5.277 740 HG11 VAL 87 1HG1 VAL 87 -12.442 1.583 4.162 741 HG12 VAL 87 2HG1 VAL 87 -11.738 1.847 5.760 742 HG13 VAL 87 3HG1 VAL 87 -12.431 0.276 5.354 743 HG21 VAL 87 3HG2 VAL 87 -11.253 -1.276 3.774 744 HG22 VAL 87 1HG2 VAL 87 -9.699 -0.826 3.063 745 HG23 VAL 87 2HG2 VAL 87 -11.185 -0.056 2.499 746 H LEU 88 H LEU 88 -10.836 3.996 4.633 747 HA LEU 88 HA LEU 88 -8.852 5.031 6.463 748 HB2 LEU 88 2HB LEU 88 -11.578 5.971 5.533 749 HB3 LEU 88 1HB LEU 88 -10.810 6.747 6.901 750 HG LEU 88 HG LEU 88 -10.388 8.094 4.951 751 HD11 LEU 88 1HD1 LEU 88 -8.570 7.927 6.583 752 HD12 LEU 88 2HD1 LEU 88 -7.957 8.219 4.955 753 HD13 LEU 88 3HD1 LEU 88 -7.850 6.603 5.663 754 HD21 LEU 88 3HD2 LEU 88 -9.229 7.308 2.937 755 HD22 LEU 88 1HD2 LEU 88 -10.721 6.400 3.186 756 HD23 LEU 88 2HD2 LEU 88 -9.167 5.665 3.583 757 H GLU 89 H GLU 89 -10.110 6.071 8.557 758 HA GLU 89 HA GLU 89 -10.012 3.863 10.325 759 HB2 GLU 89 2HB GLU 89 -10.606 6.802 10.833 760 HB3 GLU 89 1HB GLU 89 -10.504 5.619 12.127 761 HG2 GLU 89 2HG GLU 89 -8.419 6.835 11.988 762 HG3 GLU 89 1HG GLU 89 -8.149 5.155 11.519 763 H HIS 90 H HIS 90 -11.563 2.768 11.394 764 HA HIS 90 HA HIS 90 -14.416 3.476 10.999 765 HB2 HIS 90 2HB HIS 90 -13.193 0.816 11.859 766 HB3 HIS 90 1HB HIS 90 -14.909 1.115 11.591 767 HD1 HIS 90 HD1 HIS 90 -12.128 -0.330 9.963 768 HD2 HIS 90 HD2 HIS 90 -15.268 2.066 8.684 769 HE1 HIS 90 HE1 HIS 90 -12.267 -0.667 7.493 770 HE2 HIS 90 HE2 HIS 90 -14.292 0.632 6.774 771 H HIS 91 H HIS 91 -12.202 2.144 13.478 772 HA HIS 91 HA HIS 91 -13.418 3.833 15.557 773 HB2 HIS 91 2HB HIS 91 -13.034 0.814 15.875 774 HB3 HIS 91 1HB HIS 91 -13.436 1.912 17.187 775 HD1 HIS 91 HD1 HIS 91 -15.815 3.199 16.870 776 HD2 HIS 91 HD2 HIS 91 -15.226 -0.223 14.585 777 HE1 HIS 91 HE1 HIS 91 -18.093 2.515 16.073 778 HE2 HIS 91 HE2 HIS 91 -17.683 0.563 14.544 Start of MODEL 20 1 H1 MET 1 1H MET 1 -14.699 6.087 1.268 2 H2 MET 1 2H MET 1 -14.549 6.112 -0.412 3 H3 MET 1 3H MET 1 -15.016 7.507 0.425 4 HA MET 1 HA MET 1 -12.725 7.650 -0.276 5 HB2 MET 1 2HB MET 1 -13.150 7.351 2.729 6 HB3 MET 1 1HB MET 1 -11.712 8.078 2.023 7 HG2 MET 1 2HG MET 1 -12.936 9.932 1.189 8 HG3 MET 1 1HG MET 1 -14.485 9.139 1.468 9 HE1 MET 1 3HE MET 1 -14.895 9.316 5.319 10 HE2 MET 1 1HE MET 1 -14.290 7.957 4.374 11 HE3 MET 1 2HE MET 1 -15.656 8.907 3.784 12 H ARG 2 H ARG 2 -12.217 5.719 -1.401 13 HA ARG 2 HA ARG 2 -10.296 4.013 0.012 14 HB2 ARG 2 2HB ARG 2 -12.489 2.914 -1.815 15 HB3 ARG 2 1HB ARG 2 -11.105 1.982 -1.245 16 HG2 ARG 2 2HG ARG 2 -11.885 2.242 1.082 17 HG3 ARG 2 1HG ARG 2 -13.263 3.190 0.517 18 HD2 ARG 2 2HD ARG 2 -12.704 0.281 -0.139 19 HD3 ARG 2 1HD ARG 2 -13.913 0.884 0.998 20 HE ARG 2 HE ARG 2 -14.065 1.681 -1.834 21 HH11 ARG 2 1HH1 ARG 2 -15.468 -0.186 0.821 22 HH12 ARG 2 2HH1 ARG 2 -16.970 -0.441 -0.009 23 HH21 ARG 2 1HH2 ARG 2 -16.047 1.374 -2.873 24 HH22 ARG 2 2HH2 ARG 2 -17.295 0.445 -2.104 25 H ILE 3 H ILE 3 -8.537 3.484 -1.242 26 HA ILE 3 HA ILE 3 -8.449 4.436 -4.045 27 HB ILE 3 HB ILE 3 -6.344 4.910 -1.879 28 HG12 ILE 3 2HG1 ILE 3 -7.975 6.880 -3.550 29 HG13 ILE 3 1HG1 ILE 3 -8.236 6.523 -1.848 30 HG21 ILE 3 1HG2 ILE 3 -6.144 5.484 -4.858 31 HG22 ILE 3 2HG2 ILE 3 -5.204 4.293 -3.957 32 HG23 ILE 3 3HG2 ILE 3 -4.982 6.013 -3.640 33 HD11 ILE 3 3HD1 ILE 3 -7.116 8.620 -2.102 34 HD12 ILE 3 1HD1 ILE 3 -5.826 7.876 -3.044 35 HD13 ILE 3 2HD1 ILE 3 -6.026 7.467 -1.337 36 H LYS 4 H LYS 4 -7.637 2.933 -5.412 37 HA LYS 4 HA LYS 4 -6.648 0.401 -4.337 38 HB2 LYS 4 2HB LYS 4 -6.887 -0.429 -6.657 39 HB3 LYS 4 1HB LYS 4 -8.375 0.305 -6.070 40 HG2 LYS 4 2HG LYS 4 -7.751 2.397 -7.338 41 HG3 LYS 4 1HG LYS 4 -6.401 1.502 -8.043 42 HD2 LYS 4 2HD LYS 4 -9.365 0.904 -8.361 43 HD3 LYS 4 1HD LYS 4 -8.268 1.493 -9.605 44 HE2 LYS 4 2HE LYS 4 -7.011 -0.656 -9.457 45 HE3 LYS 4 1HE LYS 4 -8.180 -1.231 -8.264 46 HZ1 LYS 4 3HZ LYS 4 -9.924 -0.961 -9.951 47 HZ2 LYS 4 1HZ LYS 4 -8.739 -2.063 -10.427 48 HZ3 LYS 4 2HZ LYS 4 -8.757 -0.511 -11.087 49 H GLY 5 H GLY 5 -4.546 -0.212 -4.393 50 HA2 GLY 5 2HA GLY 5 -2.560 1.573 -5.722 51 HA3 GLY 5 1HA GLY 5 -2.376 1.018 -4.065 52 H VAL 6 H VAL 6 -0.769 0.579 -6.620 53 HA VAL 6 HA VAL 6 -1.051 -2.291 -7.107 54 HB VAL 6 HB VAL 6 0.660 -0.155 -8.464 55 HG11 VAL 6 1HG1 VAL 6 1.128 -1.849 -10.208 56 HG12 VAL 6 2HG1 VAL 6 0.299 -3.072 -9.241 57 HG13 VAL 6 3HG1 VAL 6 1.787 -2.333 -8.643 58 HG21 VAL 6 3HG2 VAL 6 -1.866 -1.584 -9.376 59 HG22 VAL 6 1HG2 VAL 6 -0.942 -0.420 -10.333 60 HG23 VAL 6 2HG2 VAL 6 -1.756 0.099 -8.853 61 H VAL 7 H VAL 7 0.095 -3.694 -5.966 62 HA VAL 7 HA VAL 7 2.298 -3.245 -4.287 63 HB VAL 7 HB VAL 7 1.530 -5.864 -5.669 64 HG11 VAL 7 1HG1 VAL 7 2.604 -7.001 -3.762 65 HG12 VAL 7 2HG1 VAL 7 3.098 -5.442 -3.097 66 HG13 VAL 7 3HG1 VAL 7 3.756 -5.990 -4.640 67 HG21 VAL 7 3HG2 VAL 7 -0.424 -4.938 -4.516 68 HG22 VAL 7 1HG2 VAL 7 0.503 -4.778 -3.020 69 HG23 VAL 7 2HG2 VAL 7 0.161 -6.379 -3.681 70 H LEU 8 H LEU 8 3.949 -2.164 -5.254 71 HA LEU 8 HA LEU 8 5.113 -2.803 -7.794 72 HB2 LEU 8 2HB LEU 8 6.224 -1.139 -5.491 73 HB3 LEU 8 1HB LEU 8 6.878 -1.177 -7.123 74 HG LEU 8 HG LEU 8 4.141 -0.100 -6.325 75 HD11 LEU 8 1HD1 LEU 8 5.025 2.105 -6.925 76 HD12 LEU 8 2HD1 LEU 8 6.611 1.399 -7.252 77 HD13 LEU 8 3HD1 LEU 8 5.951 1.377 -5.614 78 HD21 LEU 8 3HD2 LEU 8 4.005 -1.080 -8.551 79 HD22 LEU 8 1HD2 LEU 8 5.430 -0.178 -9.077 80 HD23 LEU 8 2HD2 LEU 8 3.941 0.676 -8.662 81 H SER 9 H SER 9 6.101 -3.323 -4.390 82 HA SER 9 HA SER 9 7.366 -5.834 -4.977 83 HB2 SER 9 2HB SER 9 9.675 -5.181 -4.223 84 HB3 SER 9 1HB SER 9 9.207 -4.394 -5.729 85 HG SER 9 HG SER 9 8.746 -2.517 -4.546 86 H TYR 10 H TYR 10 8.310 -6.833 -2.990 87 HA TYR 10 HA TYR 10 7.143 -5.827 -0.460 88 HB2 TYR 10 2HB TYR 10 8.342 -8.566 -1.119 89 HB3 TYR 10 1HB TYR 10 7.630 -8.104 0.423 90 HD1 TYR 10 HD1 TYR 10 6.864 -8.863 -3.141 91 HD2 TYR 10 HD2 TYR 10 5.213 -8.150 0.743 92 HE1 TYR 10 HE1 TYR 10 4.673 -9.664 -3.924 93 HE2 TYR 10 HE2 TYR 10 3.028 -8.952 -0.052 94 HH TYR 10 HH TYR 10 1.823 -9.191 -2.186 95 H ARG 11 H ARG 11 8.542 -4.796 0.860 96 HA ARG 11 HA ARG 11 11.448 -5.402 0.722 97 HB2 ARG 11 2HB ARG 11 10.802 -3.104 -0.101 98 HB3 ARG 11 1HB ARG 11 10.099 -2.748 1.468 99 HG2 ARG 11 2HG ARG 11 13.017 -3.504 1.223 100 HG3 ARG 11 1HG ARG 11 12.490 -1.861 0.884 101 HD2 ARG 11 2HD ARG 11 11.667 -1.602 3.160 102 HD3 ARG 11 1HD ARG 11 12.004 -3.297 3.524 103 HE ARG 11 HE ARG 11 14.396 -2.180 2.704 104 HH11 ARG 11 1HH1 ARG 11 12.161 -1.700 5.378 105 HH12 ARG 11 2HH1 ARG 11 13.390 -1.145 6.463 106 HH21 ARG 11 1HH2 ARG 11 15.986 -1.416 4.125 107 HH22 ARG 11 2HH2 ARG 11 15.564 -0.984 5.749 108 H ARG 12 H ARG 12 11.822 -6.746 2.447 109 HA ARG 12 HA ARG 12 10.219 -6.538 4.871 110 HB2 ARG 12 2HB ARG 12 10.900 -8.765 3.812 111 HB3 ARG 12 1HB ARG 12 12.539 -8.454 4.374 112 HG2 ARG 12 2HG ARG 12 11.677 -8.363 6.720 113 HG3 ARG 12 1HG ARG 12 10.066 -8.749 6.114 114 HD2 ARG 12 2HD ARG 12 11.002 -10.781 6.946 115 HD3 ARG 12 1HD ARG 12 11.034 -10.897 5.183 116 HE ARG 12 HE ARG 12 13.488 -9.867 6.211 117 HH11 ARG 12 1HH1 ARG 12 11.729 -12.905 5.835 118 HH12 ARG 12 2HH1 ARG 12 13.167 -13.873 5.825 119 HH21 ARG 12 1HH2 ARG 12 15.365 -11.142 6.195 120 HH22 ARG 12 2HH2 ARG 12 15.240 -12.864 6.028 121 H SER 13 H SER 13 11.116 -6.265 6.960 122 HA SER 13 HA SER 13 13.773 -4.980 7.142 123 HB2 SER 13 2HB SER 13 11.906 -3.277 7.155 124 HB3 SER 13 1HB SER 13 11.245 -4.060 8.588 125 HG SER 13 HG SER 13 13.868 -2.978 8.421 126 H LYS 14 H LYS 14 14.049 -4.689 9.760 127 HA LYS 14 HA LYS 14 14.336 -7.305 10.877 128 HB2 LYS 14 2HB LYS 14 14.581 -4.555 12.202 129 HB3 LYS 14 1HB LYS 14 14.969 -6.071 13.000 130 HG2 LYS 14 2HG LYS 14 17.020 -5.073 12.345 131 HG3 LYS 14 1HG LYS 14 16.756 -6.452 11.276 132 HD2 LYS 14 2HD LYS 14 16.076 -4.974 9.460 133 HD3 LYS 14 1HD LYS 14 16.131 -3.566 10.525 134 HE2 LYS 14 2HE LYS 14 18.530 -5.271 9.763 135 HE3 LYS 14 1HE LYS 14 18.112 -3.720 9.031 136 HZ1 LYS 14 3HZ LYS 14 18.823 -4.181 11.875 137 HZ2 LYS 14 1HZ LYS 14 18.350 -2.694 11.229 138 HZ3 LYS 14 2HZ LYS 14 19.781 -3.423 10.712 139 H GLU 15 H GLU 15 12.574 -8.438 11.553 140 HA GLU 15 HA GLU 15 9.975 -7.447 11.920 141 HB2 GLU 15 2HB GLU 15 9.461 -9.691 12.862 142 HB3 GLU 15 1HB GLU 15 10.437 -9.795 11.401 143 HG2 GLU 15 2HG GLU 15 12.446 -10.212 12.723 144 HG3 GLU 15 1HG GLU 15 11.537 -10.011 14.218 145 H ASN 16 H ASN 16 12.577 -7.904 14.236 146 HA ASN 16 HA ASN 16 11.075 -7.611 16.636 147 HB2 ASN 16 2HB ASN 16 14.051 -7.204 16.091 148 HB3 ASN 16 1HB ASN 16 13.330 -7.250 17.698 149 HD21 ASN 16 1HD2 ASN 16 12.582 -9.246 18.513 150 HD22 ASN 16 2HD2 ASN 16 13.020 -10.752 17.797 151 H GLN 17 H GLN 17 12.423 -5.336 14.362 152 HA GLN 17 HA GLN 17 11.944 -3.002 16.056 153 HB2 GLN 17 2HB GLN 17 13.909 -3.073 14.500 154 HB3 GLN 17 1HB GLN 17 12.812 -3.182 13.129 155 HG2 GLN 17 2HG GLN 17 13.647 -0.905 13.359 156 HG3 GLN 17 1HG GLN 17 11.913 -0.938 13.673 157 HE21 GLN 17 1HE2 GLN 17 11.178 -0.554 15.805 158 HE22 GLN 17 2HE2 GLN 17 12.192 0.149 17.012 159 H HIS 18 H HIS 18 10.939 -3.794 12.718 160 HA HIS 18 HA HIS 18 8.088 -3.630 13.339 161 HB2 HIS 18 2HB HIS 18 9.392 -1.803 11.263 162 HB3 HIS 18 1HB HIS 18 7.662 -2.101 11.358 163 HD1 HIS 18 HD1 HIS 18 6.647 -1.431 13.885 164 HD2 HIS 18 HD2 HIS 18 10.119 0.450 12.579 165 HE1 HIS 18 HE1 HIS 18 6.859 0.640 15.276 166 HE2 HIS 18 HE2 HIS 18 8.981 1.737 14.499 167 H ASN 19 H ASN 19 6.810 -4.729 11.776 168 HA ASN 19 HA ASN 19 8.050 -6.863 10.367 169 HB2 ASN 19 2HB ASN 19 5.192 -5.833 10.436 170 HB3 ASN 19 1HB ASN 19 5.650 -7.202 9.427 171 HD21 ASN 19 1HD2 ASN 19 3.872 -6.976 11.769 172 HD22 ASN 19 2HD2 ASN 19 4.425 -8.186 12.870 173 H ASN 20 H ASN 20 7.196 -7.303 8.025 174 HA ASN 20 HA ASN 20 8.820 -5.721 6.376 175 HB2 ASN 20 2HB ASN 20 8.058 -7.142 4.525 176 HB3 ASN 20 1HB ASN 20 8.393 -8.114 5.949 177 HD21 ASN 20 1HD2 ASN 20 6.666 -9.076 7.068 178 HD22 ASN 20 2HD2 ASN 20 5.120 -9.276 6.339 179 H VAL 21 H VAL 21 8.399 -4.322 4.765 180 HA VAL 21 HA VAL 21 5.865 -2.826 4.839 181 HB VAL 21 HB VAL 21 8.592 -1.866 3.830 182 HG11 VAL 21 1HG1 VAL 21 6.065 -0.346 4.556 183 HG12 VAL 21 2HG1 VAL 21 6.673 -0.633 2.923 184 HG13 VAL 21 3HG1 VAL 21 7.589 0.382 4.040 185 HG21 VAL 21 3HG2 VAL 21 8.851 -0.659 5.975 186 HG22 VAL 21 1HG2 VAL 21 8.783 -2.406 6.231 187 HG23 VAL 21 2HG2 VAL 21 7.372 -1.407 6.582 188 H MET 22 H MET 22 4.594 -3.151 3.079 189 HA MET 22 HA MET 22 5.660 -4.182 0.566 190 HB2 MET 22 2HB MET 22 3.556 -5.124 1.421 191 HB3 MET 22 1HB MET 22 2.824 -3.528 1.492 192 HG2 MET 22 2HG MET 22 3.036 -3.385 -0.990 193 HG3 MET 22 1HG MET 22 3.606 -5.054 -1.005 194 HE1 MET 22 3HE MET 22 2.030 -7.142 -0.255 195 HE2 MET 22 1HE MET 22 0.375 -6.933 0.307 196 HE3 MET 22 2HE MET 22 1.716 -6.366 1.300 197 H ILE 23 H ILE 23 6.263 -2.867 -0.991 198 HA ILE 23 HA ILE 23 5.875 -0.009 -0.953 199 HB ILE 23 HB ILE 23 7.095 -1.723 -3.169 200 HG12 ILE 23 2HG1 ILE 23 8.322 -2.281 -1.152 201 HG13 ILE 23 1HG1 ILE 23 9.330 -1.209 -2.110 202 HG21 ILE 23 1HG2 ILE 23 7.499 1.217 -2.507 203 HG22 ILE 23 2HG2 ILE 23 6.591 0.571 -3.877 204 HG23 ILE 23 3HG2 ILE 23 8.336 0.323 -3.778 205 HD11 ILE 23 3HD1 ILE 23 7.768 -0.474 0.367 206 HD12 ILE 23 1HD1 ILE 23 8.711 0.659 -0.608 207 HD13 ILE 23 2HD1 ILE 23 9.513 -0.670 0.226 208 H ILE 24 H ILE 24 4.114 0.935 -1.756 209 HA ILE 24 HA ILE 24 2.361 -0.490 -3.689 210 HB ILE 24 HB ILE 24 1.598 1.174 -1.240 211 HG12 ILE 24 2HG1 ILE 24 1.095 -1.774 -1.855 212 HG13 ILE 24 1HG1 ILE 24 2.312 -1.162 -0.742 213 HG21 ILE 24 1HG2 ILE 24 -0.289 -0.050 -3.281 214 HG22 ILE 24 2HG2 ILE 24 0.021 1.674 -3.061 215 HG23 ILE 24 3HG2 ILE 24 -0.765 0.749 -1.781 216 HD11 ILE 24 3HD1 ILE 24 0.510 -0.228 0.660 217 HD12 ILE 24 1HD1 ILE 24 0.427 -1.979 0.479 218 HD13 ILE 24 2HD1 ILE 24 -0.678 -0.949 -0.429 219 H LYS 25 H LYS 25 1.298 0.817 -5.229 220 HA LYS 25 HA LYS 25 2.024 3.690 -5.354 221 HB2 LYS 25 2HB LYS 25 3.191 2.384 -7.124 222 HB3 LYS 25 1HB LYS 25 1.641 1.772 -7.696 223 HG2 LYS 25 2HG LYS 25 0.979 4.210 -8.098 224 HG3 LYS 25 1HG LYS 25 2.673 4.620 -7.812 225 HD2 LYS 25 2HD LYS 25 3.371 3.295 -9.740 226 HD3 LYS 25 1HD LYS 25 1.728 2.673 -9.956 227 HE2 LYS 25 2HE LYS 25 0.954 5.009 -10.382 228 HE3 LYS 25 1HE LYS 25 2.631 5.547 -10.296 229 HZ1 LYS 25 3HZ LYS 25 1.549 3.592 -12.247 230 HZ2 LYS 25 1HZ LYS 25 3.141 4.158 -12.191 231 HZ3 LYS 25 2HZ LYS 25 1.877 5.214 -12.566 232 HA PRO 26 HA PRO 26 -2.624 3.523 -4.988 233 HB2 PRO 26 2HB PRO 26 -2.822 6.093 -3.950 234 HB3 PRO 26 1HB PRO 26 -2.529 4.652 -2.956 235 HG2 PRO 26 2HG PRO 26 -0.552 6.653 -3.996 236 HG3 PRO 26 1HG PRO 26 -0.669 5.927 -2.374 237 HD2 PRO 26 2HD PRO 26 1.118 5.029 -4.169 238 HD3 PRO 26 1HD PRO 26 0.303 3.914 -3.057 239 H LEU 27 H LEU 27 -3.476 3.701 -6.982 240 HA LEU 27 HA LEU 27 -2.406 5.191 -9.111 241 HB2 LEU 27 2HB LEU 27 -5.129 3.861 -8.870 242 HB3 LEU 27 1HB LEU 27 -4.397 4.388 -10.383 243 HG LEU 27 HG LEU 27 -3.284 2.220 -8.554 244 HD11 LEU 27 1HD1 LEU 27 -3.937 0.652 -10.332 245 HD12 LEU 27 2HD1 LEU 27 -4.710 1.971 -11.218 246 HD13 LEU 27 3HD1 LEU 27 -5.329 1.481 -9.637 247 HD21 LEU 27 3HD2 LEU 27 -2.306 3.175 -11.270 248 HD22 LEU 27 1HD2 LEU 27 -1.710 1.752 -10.411 249 HD23 LEU 27 2HD2 LEU 27 -1.470 3.354 -9.725 250 H ASP 28 H ASP 28 -5.200 5.832 -7.050 251 HA ASP 28 HA ASP 28 -6.252 8.067 -8.437 252 HB2 ASP 28 2HB ASP 28 -7.533 6.764 -6.772 253 HB3 ASP 28 1HB ASP 28 -6.465 7.312 -5.490 254 H VAL 29 H VAL 29 -3.558 7.729 -6.291 255 HA VAL 29 HA VAL 29 -3.293 10.625 -5.788 256 HB VAL 29 HB VAL 29 -2.081 8.156 -4.481 257 HG11 VAL 29 1HG1 VAL 29 -1.281 11.039 -4.003 258 HG12 VAL 29 2HG1 VAL 29 -0.248 9.718 -4.539 259 HG13 VAL 29 3HG1 VAL 29 -0.905 9.714 -2.903 260 HG21 VAL 29 3HG2 VAL 29 -3.216 9.010 -2.466 261 HG22 VAL 29 1HG2 VAL 29 -4.361 8.742 -3.781 262 HG23 VAL 29 2HG2 VAL 29 -3.837 10.383 -3.382 263 H ASN 30 H ASN 30 -1.756 11.800 -6.767 264 HA ASN 30 HA ASN 30 0.544 10.490 -8.120 265 HB2 ASN 30 2HB ASN 30 -1.156 12.772 -9.246 266 HB3 ASN 30 1HB ASN 30 0.331 12.174 -9.969 267 HD21 ASN 30 1HD2 ASN 30 -3.006 11.399 -9.253 268 HD22 ASN 30 2HD2 ASN 30 -3.164 10.132 -10.409 269 H SER 31 H SER 31 -0.364 12.623 -5.747 270 HA SER 31 HA SER 31 2.131 14.231 -5.966 271 HB2 SER 31 2HB SER 31 -0.583 15.155 -4.898 272 HB3 SER 31 1HB SER 31 0.910 16.107 -4.850 273 HG SER 31 HG SER 31 -0.438 15.147 -7.145 274 H ARG 32 H ARG 32 3.090 14.839 -4.006 275 HA ARG 32 HA ARG 32 3.352 12.769 -2.111 276 HB2 ARG 32 2HB ARG 32 5.139 14.405 -2.761 277 HB3 ARG 32 1HB ARG 32 4.275 15.666 -1.906 278 HG2 ARG 32 2HG ARG 32 4.636 14.474 0.230 279 HG3 ARG 32 1HG ARG 32 5.474 13.180 -0.633 280 HD2 ARG 32 2HD ARG 32 7.180 14.814 -1.388 281 HD3 ARG 32 1HD ARG 32 6.355 16.079 -0.469 282 HE ARG 32 HE ARG 32 6.827 14.201 1.413 283 HH11 ARG 32 1HH1 ARG 32 8.945 15.733 -0.946 284 HH12 ARG 32 2HH1 ARG 32 10.350 15.606 0.062 285 HH21 ARG 32 1HH2 ARG 32 8.673 14.097 2.738 286 HH22 ARG 32 2HH2 ARG 32 10.193 14.683 2.145 287 H GLU 33 H GLU 33 1.434 15.671 -2.177 288 HA GLU 33 HA GLU 33 0.964 15.983 0.618 289 HB2 GLU 33 2HB GLU 33 -0.554 17.034 -1.813 290 HB3 GLU 33 1HB GLU 33 -0.918 17.510 -0.158 291 HG2 GLU 33 2HG GLU 33 0.417 19.213 -1.295 292 HG3 GLU 33 1HG GLU 33 1.296 18.530 0.073 293 H GLU 34 H GLU 34 -0.750 14.445 -2.038 294 HA GLU 34 HA GLU 34 -3.071 13.589 -0.606 295 HB2 GLU 34 2HB GLU 34 -1.873 12.440 -3.151 296 HB3 GLU 34 1HB GLU 34 -3.538 12.258 -2.609 297 HG2 GLU 34 2HG GLU 34 -3.967 14.615 -2.984 298 HG3 GLU 34 1HG GLU 34 -2.265 14.911 -3.344 299 H ALA 35 H ALA 35 0.053 12.124 -1.433 300 HA ALA 35 HA ALA 35 -0.343 9.574 -0.237 301 HB1 ALA 35 3HB ALA 35 1.396 9.986 -1.924 302 HB2 ALA 35 1HB ALA 35 2.109 9.344 -0.445 303 HB3 ALA 35 2HB ALA 35 2.244 11.068 -0.815 304 H SER 36 H SER 36 0.610 12.697 1.018 305 HA SER 36 HA SER 36 1.763 11.789 3.488 306 HB2 SER 36 2HB SER 36 2.388 13.962 2.446 307 HB3 SER 36 1HB SER 36 0.756 14.574 2.726 308 HG SER 36 HG SER 36 1.201 14.823 4.794 309 H LYS 37 H LYS 37 -1.445 12.809 2.378 310 HA LYS 37 HA LYS 37 -2.611 12.463 5.046 311 HB2 LYS 37 2HB LYS 37 -4.739 13.187 4.038 312 HB3 LYS 37 1HB LYS 37 -3.447 14.337 3.723 313 HG2 LYS 37 2HG LYS 37 -3.209 13.308 1.432 314 HG3 LYS 37 1HG LYS 37 -4.664 12.369 1.765 315 HD2 LYS 37 2HD LYS 37 -4.509 15.413 1.769 316 HD3 LYS 37 1HD LYS 37 -5.093 14.433 0.422 317 HE2 LYS 37 2HE LYS 37 -6.343 14.506 3.192 318 HE3 LYS 37 1HE LYS 37 -6.943 15.367 1.775 319 HZ1 LYS 37 3HZ LYS 37 -7.227 13.216 0.667 320 HZ2 LYS 37 1HZ LYS 37 -8.158 13.338 2.076 321 HZ3 LYS 37 2HZ LYS 37 -6.738 12.423 2.072 322 H LEU 38 H LEU 38 -1.646 10.387 2.680 323 HA LEU 38 HA LEU 38 -3.674 8.370 3.283 324 HB2 LEU 38 2HB LEU 38 -1.090 8.224 1.682 325 HB3 LEU 38 1HB LEU 38 -2.050 6.808 2.066 326 HG LEU 38 HG LEU 38 -2.900 9.142 0.325 327 HD11 LEU 38 1HD1 LEU 38 -2.993 7.461 -1.456 328 HD12 LEU 38 2HD1 LEU 38 -2.433 6.218 -0.334 329 HD13 LEU 38 3HD1 LEU 38 -1.377 7.569 -0.759 330 HD21 LEU 38 3HD2 LEU 38 -5.023 7.931 -0.039 331 HD22 LEU 38 1HD2 LEU 38 -4.835 8.426 1.640 332 HD23 LEU 38 2HD2 LEU 38 -4.563 6.743 1.184 333 H ILE 39 H ILE 39 -0.720 9.544 4.613 334 HA ILE 39 HA ILE 39 0.191 7.333 6.088 335 HB ILE 39 HB ILE 39 0.273 10.279 6.906 336 HG12 ILE 39 2HG1 ILE 39 1.369 9.925 4.716 337 HG13 ILE 39 1HG1 ILE 39 2.565 10.311 5.947 338 HG21 ILE 39 1HG2 ILE 39 1.940 7.944 7.934 339 HG22 ILE 39 2HG2 ILE 39 0.717 8.841 8.838 340 HG23 ILE 39 3HG2 ILE 39 2.206 9.643 8.341 341 HD11 ILE 39 3HD1 ILE 39 3.374 8.590 4.477 342 HD12 ILE 39 1HD1 ILE 39 1.974 7.585 4.823 343 HD13 ILE 39 2HD1 ILE 39 3.149 7.925 6.093 344 H GLY 40 H GLY 40 -1.157 6.119 7.275 345 HA2 GLY 40 2HA GLY 40 -2.082 6.062 9.598 346 HA3 GLY 40 1HA GLY 40 -3.114 7.403 9.118 347 H ARG 41 H ARG 41 -3.417 6.138 6.371 348 HA ARG 41 HA ARG 41 -5.963 5.011 6.920 349 HB2 ARG 41 2HB ARG 41 -4.336 5.417 4.408 350 HB3 ARG 41 1HB ARG 41 -5.777 4.415 4.336 351 HG2 ARG 41 2HG ARG 41 -6.305 6.639 3.592 352 HG3 ARG 41 1HG ARG 41 -7.151 6.312 5.100 353 HD2 ARG 41 2HD ARG 41 -4.555 7.874 5.008 354 HD3 ARG 41 1HD ARG 41 -6.125 8.644 4.791 355 HE ARG 41 HE ARG 41 -6.175 7.150 7.180 356 HH11 ARG 41 1HH1 ARG 41 -4.693 10.101 5.924 357 HH12 ARG 41 2HH1 ARG 41 -4.580 10.848 7.480 358 HH21 ARG 41 1HH2 ARG 41 -5.999 8.168 9.208 359 HH22 ARG 41 2HH2 ARG 41 -5.317 9.758 9.329 360 H LEU 42 H LEU 42 -6.774 2.955 6.305 361 HA LEU 42 HA LEU 42 -5.048 0.752 7.163 362 HB2 LEU 42 2HB LEU 42 -7.211 1.025 8.263 363 HB3 LEU 42 1HB LEU 42 -8.046 1.033 6.720 364 HG LEU 42 HG LEU 42 -7.418 -1.378 6.399 365 HD11 LEU 42 1HD1 LEU 42 -6.544 -2.692 8.260 366 HD12 LEU 42 2HD1 LEU 42 -6.357 -1.234 9.234 367 HD13 LEU 42 3HD1 LEU 42 -5.395 -1.453 7.771 368 HD21 LEU 42 3HD2 LEU 42 -9.612 -0.778 7.292 369 HD22 LEU 42 1HD2 LEU 42 -8.969 -0.773 8.937 370 HD23 LEU 42 2HD2 LEU 42 -9.039 -2.280 8.016 371 H VAL 43 H VAL 43 -4.170 -0.600 5.705 372 HA VAL 43 HA VAL 43 -5.232 -0.674 2.953 373 HB VAL 43 HB VAL 43 -2.491 -1.619 3.913 374 HG11 VAL 43 1HG1 VAL 43 -1.914 -1.548 1.510 375 HG12 VAL 43 2HG1 VAL 43 -3.572 -1.080 1.123 376 HG13 VAL 43 3HG1 VAL 43 -3.242 -2.670 1.821 377 HG21 VAL 43 3HG2 VAL 43 -3.236 1.039 2.630 378 HG22 VAL 43 1HG2 VAL 43 -1.591 0.482 2.950 379 HG23 VAL 43 2HG2 VAL 43 -2.690 0.804 4.293 380 H LEU 44 H LEU 44 -6.510 -2.338 2.589 381 HA LEU 44 HA LEU 44 -6.226 -4.914 3.973 382 HB2 LEU 44 2HB LEU 44 -8.543 -3.771 2.345 383 HB3 LEU 44 1HB LEU 44 -8.552 -5.317 3.184 384 HG LEU 44 HG LEU 44 -8.427 -2.572 4.492 385 HD11 LEU 44 1HD1 LEU 44 -10.645 -3.075 3.590 386 HD12 LEU 44 2HD1 LEU 44 -10.667 -3.099 5.352 387 HD13 LEU 44 3HD1 LEU 44 -10.670 -4.619 4.452 388 HD21 LEU 44 3HD2 LEU 44 -7.130 -4.146 5.803 389 HD22 LEU 44 1HD2 LEU 44 -8.447 -5.323 5.770 390 HD23 LEU 44 2HD2 LEU 44 -8.642 -3.796 6.633 391 H TRP 45 H TRP 45 -4.931 -6.246 2.805 392 HA TRP 45 HA TRP 45 -5.437 -6.482 -0.116 393 HB2 TRP 45 2HB TRP 45 -3.232 -5.452 0.215 394 HB3 TRP 45 1HB TRP 45 -2.757 -6.748 1.313 395 HD1 TRP 45 HD1 TRP 45 -3.840 -6.411 -2.432 396 HE1 TRP 45 HE1 TRP 45 -2.540 -8.166 -3.788 397 HE3 TRP 45 HE3 TRP 45 -1.364 -8.689 1.384 398 HZ2 TRP 45 HZ2 TRP 45 -0.700 -10.235 -3.298 399 HZ3 TRP 45 HZ3 TRP 45 0.161 -10.548 0.867 400 HH2 TRP 45 HH2 TRP 45 0.487 -11.309 -1.428 401 H LYS 46 H LYS 46 -6.030 -8.437 -0.740 402 HA LYS 46 HA LYS 46 -6.205 -10.636 1.172 403 HB2 LYS 46 2HB LYS 46 -8.181 -9.974 -0.168 404 HB3 LYS 46 1HB LYS 46 -7.297 -10.279 -1.656 405 HG2 LYS 46 2HG LYS 46 -7.264 -12.664 -1.221 406 HG3 LYS 46 1HG LYS 46 -7.966 -12.425 0.385 407 HD2 LYS 46 2HD LYS 46 -10.051 -11.587 -0.621 408 HD3 LYS 46 1HD LYS 46 -9.353 -11.715 -2.238 409 HE2 LYS 46 2HE LYS 46 -9.816 -14.070 -0.374 410 HE3 LYS 46 1HE LYS 46 -10.915 -13.579 -1.663 411 HZ1 LYS 46 3HZ LYS 46 -8.112 -14.472 -2.022 412 HZ2 LYS 46 1HZ LYS 46 -9.146 -13.985 -3.266 413 HZ3 LYS 46 2HZ LYS 46 -9.491 -15.373 -2.374 414 H SER 47 H SER 47 -4.365 -11.745 1.337 415 HA SER 47 HA SER 47 -2.294 -11.964 -0.562 416 HB2 SER 47 2HB SER 47 -1.365 -13.661 1.025 417 HB3 SER 47 1HB SER 47 -1.909 -12.203 1.851 418 HG SER 47 HG SER 47 -3.457 -13.301 2.803 419 HA PRO 48 HA PRO 48 -3.387 -15.554 -3.160 420 HB2 PRO 48 2HB PRO 48 -0.946 -16.928 -3.212 421 HB3 PRO 48 1HB PRO 48 -1.333 -15.530 -4.234 422 HG2 PRO 48 2HG PRO 48 0.192 -15.595 -1.646 423 HG3 PRO 48 1HG PRO 48 0.560 -14.715 -3.149 424 HD2 PRO 48 2HD PRO 48 -0.548 -13.431 -1.081 425 HD3 PRO 48 1HD PRO 48 -1.067 -13.061 -2.743 426 H SER 49 H SER 49 -1.884 -15.954 -0.028 427 HA SER 49 HA SER 49 -2.401 -18.659 0.538 428 HB2 SER 49 2HB SER 49 -0.927 -17.187 1.890 429 HB3 SER 49 1HB SER 49 -2.326 -16.259 2.432 430 HG SER 49 HG SER 49 -1.457 -17.997 3.850 431 H GLY 50 H GLY 50 -4.501 -15.916 0.341 432 HA2 GLY 50 2HA GLY 50 -6.827 -15.978 0.105 433 HA3 GLY 50 1HA GLY 50 -6.877 -17.539 0.911 434 H LYS 51 H LYS 51 -4.985 -15.036 2.355 435 HA LYS 51 HA LYS 51 -7.005 -14.684 4.500 436 HB2 LYS 51 2HB LYS 51 -3.963 -14.412 4.628 437 HB3 LYS 51 1HB LYS 51 -5.069 -14.157 5.977 438 HG2 LYS 51 2HG LYS 51 -4.578 -16.768 4.525 439 HG3 LYS 51 1HG LYS 51 -4.005 -16.336 6.138 440 HD2 LYS 51 2HD LYS 51 -6.384 -16.171 6.901 441 HD3 LYS 51 1HD LYS 51 -6.912 -16.688 5.296 442 HE2 LYS 51 2HE LYS 51 -6.965 -18.584 6.803 443 HE3 LYS 51 1HE LYS 51 -5.673 -18.836 5.629 444 HZ1 LYS 51 3HZ LYS 51 -4.072 -18.154 7.274 445 HZ2 LYS 51 1HZ LYS 51 -5.016 -19.407 7.900 446 HZ3 LYS 51 2HZ LYS 51 -5.290 -17.814 8.393 447 H ILE 52 H ILE 52 -7.480 -12.639 5.208 448 HA ILE 52 HA ILE 52 -6.851 -10.403 3.406 449 HB ILE 52 HB ILE 52 -8.750 -10.427 5.804 450 HG12 ILE 52 2HG1 ILE 52 -9.441 -10.761 2.845 451 HG13 ILE 52 1HG1 ILE 52 -9.414 -12.070 4.018 452 HG21 ILE 52 1HG2 ILE 52 -8.471 -8.434 3.514 453 HG22 ILE 52 2HG2 ILE 52 -8.008 -8.158 5.196 454 HG23 ILE 52 3HG2 ILE 52 -9.708 -8.374 4.772 455 HD11 ILE 52 3HD1 ILE 52 -11.669 -11.328 3.564 456 HD12 ILE 52 1HD1 ILE 52 -11.270 -9.692 4.087 457 HD13 ILE 52 2HD1 ILE 52 -11.240 -11.025 5.246 458 H LEU 53 H LEU 53 -4.894 -9.575 3.863 459 HA LEU 53 HA LEU 53 -3.793 -9.496 6.544 460 HB2 LEU 53 2HB LEU 53 -2.608 -8.323 3.998 461 HB3 LEU 53 1HB LEU 53 -1.762 -8.699 5.493 462 HG LEU 53 HG LEU 53 -2.868 -10.657 3.449 463 HD11 LEU 53 1HD1 LEU 53 -0.540 -11.356 3.228 464 HD12 LEU 53 2HD1 LEU 53 -0.045 -10.159 4.429 465 HD13 LEU 53 3HD1 LEU 53 -0.725 -9.638 2.885 466 HD21 LEU 53 3HD2 LEU 53 -2.027 -12.489 4.885 467 HD22 LEU 53 1HD2 LEU 53 -3.354 -11.607 5.639 468 HD23 LEU 53 2HD2 LEU 53 -1.694 -11.324 6.170 469 H LYS 54 H LYS 54 -3.545 -7.735 7.800 470 HA LYS 54 HA LYS 54 -4.884 -5.231 7.055 471 HB2 LYS 54 2HB LYS 54 -3.731 -5.966 9.777 472 HB3 LYS 54 1HB LYS 54 -4.919 -4.722 9.412 473 HG2 LYS 54 2HG LYS 54 -5.397 -7.713 9.178 474 HG3 LYS 54 1HG LYS 54 -5.874 -6.720 10.553 475 HD2 LYS 54 2HD LYS 54 -6.893 -6.373 7.705 476 HD3 LYS 54 1HD LYS 54 -7.756 -7.201 9.004 477 HE2 LYS 54 2HE LYS 54 -6.979 -4.273 8.967 478 HE3 LYS 54 1HE LYS 54 -8.597 -4.918 8.728 479 HZ1 LYS 54 3HZ LYS 54 -8.550 -5.766 10.982 480 HZ2 LYS 54 1HZ LYS 54 -8.285 -4.102 10.963 481 HZ3 LYS 54 2HZ LYS 54 -6.991 -5.153 11.211 482 H GLY 55 H GLY 55 -3.739 -3.418 6.674 483 HA2 GLY 55 2HA GLY 55 -0.892 -3.224 7.454 484 HA3 GLY 55 1HA GLY 55 -1.379 -2.930 5.787 485 H LYS 56 H LYS 56 -0.068 -0.959 7.044 486 HA LYS 56 HA LYS 56 -2.053 1.173 6.938 487 HB2 LYS 56 2HB LYS 56 -1.996 0.739 9.356 488 HB3 LYS 56 1HB LYS 56 -0.236 0.839 9.371 489 HG2 LYS 56 2HG LYS 56 -0.349 3.230 8.756 490 HG3 LYS 56 1HG LYS 56 -2.110 3.143 8.683 491 HD2 LYS 56 2HD LYS 56 -0.418 2.705 11.177 492 HD3 LYS 56 1HD LYS 56 -1.302 4.182 10.784 493 HE2 LYS 56 2HE LYS 56 -3.430 2.905 10.854 494 HE3 LYS 56 1HE LYS 56 -2.530 1.453 11.302 495 HZ1 LYS 56 3HZ LYS 56 -1.779 2.619 13.304 496 HZ2 LYS 56 1HZ LYS 56 -3.466 2.492 13.241 497 HZ3 LYS 56 2HZ LYS 56 -2.712 3.962 12.880 498 H ILE 57 H ILE 57 -1.274 2.834 5.818 499 HA ILE 57 HA ILE 57 1.389 2.890 4.763 500 HB ILE 57 HB ILE 57 -0.768 5.053 4.719 501 HG12 ILE 57 2HG1 ILE 57 -0.076 2.981 2.591 502 HG13 ILE 57 1HG1 ILE 57 -1.436 2.852 3.696 503 HG21 ILE 57 1HG2 ILE 57 1.480 5.971 4.243 504 HG22 ILE 57 2HG2 ILE 57 0.463 6.010 2.805 505 HG23 ILE 57 3HG2 ILE 57 1.710 4.772 2.970 506 HD11 ILE 57 3HD1 ILE 57 -2.381 4.906 2.731 507 HD12 ILE 57 1HD1 ILE 57 -2.182 3.599 1.563 508 HD13 ILE 57 2HD1 ILE 57 -1.044 4.945 1.571 509 H VAL 58 H VAL 58 3.054 3.374 6.008 510 HA VAL 58 HA VAL 58 2.833 5.288 8.276 511 HB VAL 58 HB VAL 58 4.821 4.107 9.226 512 HG11 VAL 58 1HG1 VAL 58 2.529 2.219 8.551 513 HG12 VAL 58 2HG1 VAL 58 2.568 3.361 9.896 514 HG13 VAL 58 3HG1 VAL 58 3.692 2.000 9.864 515 HG21 VAL 58 3HG2 VAL 58 4.533 2.231 6.837 516 HG22 VAL 58 1HG2 VAL 58 5.630 1.989 8.202 517 HG23 VAL 58 2HG2 VAL 58 5.863 3.358 7.115 518 H ARG 59 H ARG 59 4.152 4.935 5.158 519 HA ARG 59 HA ARG 59 5.968 7.203 5.460 520 HB2 ARG 59 2HB ARG 59 7.378 5.226 6.032 521 HB3 ARG 59 1HB ARG 59 6.929 4.451 4.521 522 HG2 ARG 59 2HG ARG 59 9.166 5.346 4.329 523 HG3 ARG 59 1HG ARG 59 8.093 6.264 3.272 524 HD2 ARG 59 2HD ARG 59 9.674 7.726 4.453 525 HD3 ARG 59 1HD ARG 59 8.006 8.085 4.922 526 HE ARG 59 HE ARG 59 9.227 6.196 6.688 527 HH11 ARG 59 1HH1 ARG 59 9.111 9.645 6.015 528 HH12 ARG 59 2HH1 ARG 59 9.535 10.095 7.633 529 HH21 ARG 59 1HH2 ARG 59 9.772 6.805 8.813 530 HH22 ARG 59 2HH2 ARG 59 9.914 8.484 9.220 531 H VAL 60 H VAL 60 6.328 8.269 3.471 532 HA VAL 60 HA VAL 60 4.751 7.356 1.136 533 HB VAL 60 HB VAL 60 4.976 9.616 0.222 534 HG11 VAL 60 1HG1 VAL 60 3.151 9.242 1.818 535 HG12 VAL 60 2HG1 VAL 60 3.733 10.904 1.924 536 HG13 VAL 60 3HG1 VAL 60 4.196 9.724 3.156 537 HG21 VAL 60 3HG2 VAL 60 6.106 11.451 1.465 538 HG22 VAL 60 1HG2 VAL 60 7.244 10.194 0.961 539 HG23 VAL 60 2HG2 VAL 60 6.704 10.274 2.640 540 H HIS 61 H HIS 61 5.831 7.856 -1.022 541 HA HIS 61 HA HIS 61 8.756 7.346 -1.035 542 HB2 HIS 61 2HB HIS 61 7.606 5.306 -1.801 543 HB3 HIS 61 1HB HIS 61 6.628 6.230 -2.932 544 HD1 HIS 61 HD1 HIS 61 8.005 7.339 -4.991 545 HD2 HIS 61 HD2 HIS 61 9.994 4.396 -2.843 546 HE1 HIS 61 HE1 HIS 61 9.885 6.568 -6.465 547 HE2 HIS 61 HE2 HIS 61 10.934 4.666 -5.220 548 H GLY 62 H GLY 62 9.472 9.376 -1.424 549 HA2 GLY 62 2HA GLY 62 10.027 11.291 -2.512 550 HA3 GLY 62 1HA GLY 62 9.545 10.467 -3.986 551 H THR 63 H THR 63 8.350 11.921 -5.084 552 HA THR 63 HA THR 63 6.151 13.358 -3.711 553 HB THR 63 HB THR 63 6.429 15.174 -5.406 554 HG1 THR 63 HG1 THR 63 8.141 15.129 -6.826 555 HG21 THR 63 3HG2 THR 63 7.564 15.429 -3.227 556 HG22 THR 63 1HG2 THR 63 8.518 16.151 -4.526 557 HG23 THR 63 2HG2 THR 63 8.981 14.585 -3.859 558 H LYS 64 H LYS 64 6.752 10.896 -5.876 559 HA LYS 64 HA LYS 64 4.874 11.517 -7.967 560 HB2 LYS 64 2HB LYS 64 6.240 8.898 -7.217 561 HB3 LYS 64 1HB LYS 64 5.230 9.101 -8.646 562 HG2 LYS 64 2HG LYS 64 7.839 10.546 -8.077 563 HG3 LYS 64 1HG LYS 64 7.613 9.214 -9.210 564 HD2 LYS 64 2HD LYS 64 6.310 11.957 -9.436 565 HD3 LYS 64 1HD LYS 64 7.727 11.424 -10.340 566 HE2 LYS 64 2HE LYS 64 6.375 9.670 -11.436 567 HE3 LYS 64 1HE LYS 64 4.961 10.181 -10.510 568 HZ1 LYS 64 3HZ LYS 64 5.070 12.335 -11.585 569 HZ2 LYS 64 1HZ LYS 64 4.940 11.106 -12.738 570 HZ3 LYS 64 2HZ LYS 64 6.428 11.864 -12.471 571 H GLY 65 H GLY 65 4.411 10.495 -4.774 572 HA2 GLY 65 2HA GLY 65 2.275 10.405 -3.804 573 HA3 GLY 65 1HA GLY 65 1.577 9.953 -5.348 574 H ALA 66 H ALA 66 4.061 7.955 -5.368 575 HA ALA 66 HA ALA 66 2.766 5.620 -4.489 576 HB1 ALA 66 3HB ALA 66 4.974 4.529 -4.737 577 HB2 ALA 66 1HB ALA 66 5.742 6.115 -4.857 578 HB3 ALA 66 2HB ALA 66 4.623 5.579 -6.112 579 H VAL 67 H VAL 67 3.203 4.300 -2.571 580 HA VAL 67 HA VAL 67 4.219 5.793 -0.225 581 HB VAL 67 HB VAL 67 2.319 5.007 1.148 582 HG11 VAL 67 1HG1 VAL 67 1.388 6.593 -1.270 583 HG12 VAL 67 2HG1 VAL 67 2.154 7.249 0.180 584 HG13 VAL 67 3HG1 VAL 67 0.559 6.504 0.290 585 HG21 VAL 67 3HG2 VAL 67 1.705 2.974 -0.082 586 HG22 VAL 67 1HG2 VAL 67 1.132 3.939 -1.441 587 HG23 VAL 67 2HG2 VAL 67 0.291 4.012 0.110 588 H ARG 68 H ARG 68 4.082 4.260 1.750 589 HA ARG 68 HA ARG 68 5.018 1.527 1.188 590 HB2 ARG 68 2HB ARG 68 6.329 3.614 2.997 591 HB3 ARG 68 1HB ARG 68 6.655 1.896 3.141 592 HG2 ARG 68 2HG ARG 68 7.514 1.915 0.780 593 HG3 ARG 68 1HG ARG 68 7.319 3.671 0.770 594 HD2 ARG 68 2HD ARG 68 8.926 3.903 2.593 595 HD3 ARG 68 1HD ARG 68 9.028 2.148 2.777 596 HE ARG 68 HE ARG 68 9.744 2.754 0.163 597 HH11 ARG 68 1HH1 ARG 68 11.028 3.367 3.384 598 HH12 ARG 68 2HH1 ARG 68 12.674 3.438 2.840 599 HH21 ARG 68 1HH2 ARG 68 11.886 2.811 -0.529 600 HH22 ARG 68 2HH2 ARG 68 13.156 3.122 0.609 601 H ALA 69 H ALA 69 3.676 0.176 2.269 602 HA ALA 69 HA ALA 69 2.357 1.091 4.767 603 HB1 ALA 69 3HB ALA 69 0.765 0.801 2.915 604 HB2 ALA 69 1HB ALA 69 0.479 -0.384 4.191 605 HB3 ALA 69 2HB ALA 69 1.294 -0.869 2.700 606 H ARG 70 H ARG 70 2.656 -0.122 6.552 607 HA ARG 70 HA ARG 70 4.325 -2.519 6.459 608 HB2 ARG 70 2HB ARG 70 3.275 -0.724 8.667 609 HB3 ARG 70 1HB ARG 70 3.905 -2.319 9.061 610 HG2 ARG 70 2HG ARG 70 6.084 -1.734 8.133 611 HG3 ARG 70 1HG ARG 70 5.477 -0.145 7.645 612 HD2 ARG 70 2HD ARG 70 6.808 -0.222 9.830 613 HD3 ARG 70 1HD ARG 70 5.228 0.570 9.903 614 HE ARG 70 HE ARG 70 5.494 -2.264 10.695 615 HH11 ARG 70 1HH1 ARG 70 4.740 1.057 11.635 616 HH12 ARG 70 2HH1 ARG 70 4.067 0.580 13.162 617 HH21 ARG 70 1HH2 ARG 70 4.583 -2.842 12.681 618 HH22 ARG 70 2HH2 ARG 70 3.979 -1.619 13.751 619 H PHE 71 H PHE 71 3.440 -4.478 6.348 620 HA PHE 71 HA PHE 71 0.667 -4.964 7.265 621 HB2 PHE 71 2HB PHE 71 2.464 -6.393 5.270 622 HB3 PHE 71 1HB PHE 71 1.027 -7.165 5.930 623 HD1 PHE 71 HD1 PHE 71 2.205 -4.273 3.861 624 HD2 PHE 71 HD2 PHE 71 -1.149 -6.621 5.132 625 HE1 PHE 71 HE1 PHE 71 0.795 -3.213 2.146 626 HE2 PHE 71 HE2 PHE 71 -2.534 -5.561 3.406 627 HZ PHE 71 HZ PHE 71 -1.564 -3.865 1.915 628 H GLU 72 H GLU 72 0.315 -6.257 8.966 629 HA GLU 72 HA GLU 72 2.322 -6.942 10.804 630 HB2 GLU 72 2HB GLU 72 0.505 -8.173 12.010 631 HB3 GLU 72 1HB GLU 72 0.049 -6.538 11.538 632 HG2 GLU 72 2HG GLU 72 -1.287 -7.379 9.683 633 HG3 GLU 72 1HG GLU 72 -0.741 -9.029 9.990 634 H LYS 73 H LYS 73 0.730 -8.870 8.335 635 HA LYS 73 HA LYS 73 2.311 -11.272 8.969 636 HB2 LYS 73 2HB LYS 73 0.002 -10.820 7.025 637 HB3 LYS 73 1HB LYS 73 0.832 -12.358 7.245 638 HG2 LYS 73 2HG LYS 73 -0.756 -10.894 9.383 639 HG3 LYS 73 1HG LYS 73 -1.323 -12.280 8.443 640 HD2 LYS 73 2HD LYS 73 0.490 -13.670 9.403 641 HD3 LYS 73 1HD LYS 73 1.057 -12.288 10.344 642 HE2 LYS 73 2HE LYS 73 -1.661 -13.618 10.626 643 HE3 LYS 73 1HE LYS 73 -0.282 -13.857 11.699 644 HZ1 LYS 73 3HZ LYS 73 -1.782 -12.287 12.659 645 HZ2 LYS 73 1HZ LYS 73 -1.765 -11.320 11.272 646 HZ3 LYS 73 2HZ LYS 73 -0.372 -11.473 12.216 647 H GLY 74 H GLY 74 1.340 -9.374 6.090 648 HA2 GLY 74 2HA GLY 74 2.384 -8.842 4.131 649 HA3 GLY 74 1HA GLY 74 3.881 -8.892 5.043 650 H LEU 75 H LEU 75 1.491 -11.259 4.002 651 HA LEU 75 HA LEU 75 3.305 -13.358 3.526 652 HB2 LEU 75 2HB LEU 75 0.373 -12.925 2.904 653 HB3 LEU 75 1HB LEU 75 1.195 -14.378 2.349 654 HG LEU 75 HG LEU 75 1.028 -13.530 5.272 655 HD11 LEU 75 1HD1 LEU 75 -0.596 -15.659 3.846 656 HD12 LEU 75 2HD1 LEU 75 -1.207 -14.111 4.438 657 HD13 LEU 75 3HD1 LEU 75 -0.608 -15.312 5.578 658 HD21 LEU 75 3HD2 LEU 75 1.975 -16.129 4.014 659 HD22 LEU 75 1HD2 LEU 75 1.884 -15.778 5.743 660 HD23 LEU 75 2HD2 LEU 75 3.016 -14.889 4.720 661 HA PRO 76 HA PRO 76 4.619 -11.772 -0.507 662 HB2 PRO 76 2HB PRO 76 6.660 -13.520 -0.928 663 HB3 PRO 76 1HB PRO 76 6.774 -12.258 0.318 664 HG2 PRO 76 2HG PRO 76 6.077 -15.166 0.649 665 HG3 PRO 76 1HG PRO 76 7.179 -14.167 1.618 666 HD2 PRO 76 2HD PRO 76 4.625 -14.705 2.396 667 HD3 PRO 76 1HD PRO 76 5.476 -13.206 2.840 668 H GLY 77 H GLY 77 5.235 -12.929 -2.664 669 HA2 GLY 77 2HA GLY 77 4.536 -15.276 -3.703 670 HA3 GLY 77 1HA GLY 77 2.940 -14.558 -3.457 671 H GLN 78 H GLN 78 3.421 -15.115 -5.953 672 HA GLN 78 HA GLN 78 4.670 -12.974 -7.446 673 HB2 GLN 78 2HB GLN 78 4.580 -15.347 -8.257 674 HB3 GLN 78 1HB GLN 78 2.831 -15.231 -8.381 675 HG2 GLN 78 2HG GLN 78 3.097 -13.466 -10.114 676 HG3 GLN 78 1HG GLN 78 4.847 -13.652 -10.015 677 HE21 GLN 78 1HE2 GLN 78 3.048 -14.043 -12.296 678 HE22 GLN 78 2HE2 GLN 78 3.304 -15.664 -12.834 679 H ALA 79 H ALA 79 3.440 -11.348 -6.212 680 HA ALA 79 HA ALA 79 0.729 -10.792 -7.266 681 HB1 ALA 79 3HB ALA 79 0.210 -9.780 -5.097 682 HB2 ALA 79 1HB ALA 79 1.828 -10.174 -4.511 683 HB3 ALA 79 2HB ALA 79 0.693 -11.466 -4.905 684 H LEU 80 H LEU 80 3.647 -9.887 -7.948 685 HA LEU 80 HA LEU 80 3.702 -7.066 -7.362 686 HB2 LEU 80 2HB LEU 80 5.342 -8.623 -9.413 687 HB3 LEU 80 1HB LEU 80 5.722 -7.036 -8.758 688 HG LEU 80 HG LEU 80 5.746 -9.657 -7.196 689 HD11 LEU 80 1HD1 LEU 80 8.175 -9.364 -7.073 690 HD12 LEU 80 2HD1 LEU 80 8.071 -7.927 -8.093 691 HD13 LEU 80 3HD1 LEU 80 7.630 -9.508 -8.744 692 HD21 LEU 80 3HD2 LEU 80 6.449 -6.859 -6.254 693 HD22 LEU 80 1HD2 LEU 80 6.702 -8.347 -5.336 694 HD23 LEU 80 2HD2 LEU 80 5.067 -7.829 -5.735 695 H GLY 81 H GLY 81 2.102 -5.866 -8.253 696 HA2 GLY 81 2HA GLY 81 1.484 -4.724 -10.406 697 HA3 GLY 81 1HA GLY 81 1.273 -6.334 -11.083 698 H ASP 82 H ASP 82 0.176 -7.081 -8.247 699 HA ASP 82 HA ASP 82 -2.608 -6.677 -8.889 700 HB2 ASP 82 2HB ASP 82 -1.199 -8.036 -6.564 701 HB3 ASP 82 1HB ASP 82 -2.954 -7.837 -6.584 702 H TYR 83 H TYR 83 -4.100 -6.044 -6.943 703 HA TYR 83 HA TYR 83 -3.306 -3.263 -6.309 704 HB2 TYR 83 2HB TYR 83 -6.091 -4.423 -6.764 705 HB3 TYR 83 1HB TYR 83 -5.714 -2.725 -6.488 706 HD1 TYR 83 HD1 TYR 83 -5.555 -5.501 -8.929 707 HD2 TYR 83 HD2 TYR 83 -4.759 -1.348 -8.290 708 HE1 TYR 83 HE1 TYR 83 -5.274 -5.184 -11.350 709 HE2 TYR 83 HE2 TYR 83 -4.494 -1.038 -10.708 710 HH TYR 83 HH TYR 83 -5.399 -3.378 -13.002 711 H VAL 84 H VAL 84 -4.052 -2.337 -4.374 712 HA VAL 84 HA VAL 84 -4.944 -4.160 -2.200 713 HB VAL 84 HB VAL 84 -3.707 -2.829 -0.585 714 HG11 VAL 84 1HG1 VAL 84 -1.360 -3.279 -1.203 715 HG12 VAL 84 2HG1 VAL 84 -1.846 -3.547 -2.880 716 HG13 VAL 84 3HG1 VAL 84 -2.412 -4.635 -1.612 717 HG21 VAL 84 3HG2 VAL 84 -2.237 -0.935 -1.209 718 HG22 VAL 84 1HG2 VAL 84 -3.926 -0.607 -1.601 719 HG23 VAL 84 2HG2 VAL 84 -2.796 -1.055 -2.879 720 H GLU 85 H GLU 85 -6.299 -3.057 -0.561 721 HA GLU 85 HA GLU 85 -7.912 -0.847 -1.699 722 HB2 GLU 85 2HB GLU 85 -8.612 -2.791 0.555 723 HB3 GLU 85 1HB GLU 85 -9.693 -1.606 -0.173 724 HG2 GLU 85 2HG GLU 85 -8.516 -4.035 -1.567 725 HG3 GLU 85 1HG GLU 85 -10.167 -3.888 -0.961 726 H ILE 86 H ILE 86 -7.106 1.062 -0.945 727 HA ILE 86 HA ILE 86 -6.121 1.316 1.819 728 HB ILE 86 HB ILE 86 -6.101 3.353 -0.470 729 HG12 ILE 86 2HG1 ILE 86 -3.770 1.739 0.673 730 HG13 ILE 86 1HG1 ILE 86 -4.618 1.324 -0.811 731 HG21 ILE 86 1HG2 ILE 86 -6.131 4.468 1.735 732 HG22 ILE 86 2HG2 ILE 86 -4.571 4.686 0.939 733 HG23 ILE 86 3HG2 ILE 86 -4.738 3.510 2.245 734 HD11 ILE 86 3HD1 ILE 86 -2.543 2.428 -1.304 735 HD12 ILE 86 1HD1 ILE 86 -3.000 3.823 -0.324 736 HD13 ILE 86 2HD1 ILE 86 -3.891 3.448 -1.803 737 H VAL 87 H VAL 87 -7.951 1.217 3.000 738 HA VAL 87 HA VAL 87 -10.349 2.744 2.294 739 HB VAL 87 HB VAL 87 -10.000 0.668 4.515 740 HG11 VAL 87 1HG1 VAL 87 -12.446 0.440 4.388 741 HG12 VAL 87 2HG1 VAL 87 -12.508 1.687 3.140 742 HG13 VAL 87 3HG1 VAL 87 -11.979 2.099 4.773 743 HG21 VAL 87 3HG2 VAL 87 -10.966 -1.018 2.977 744 HG22 VAL 87 1HG2 VAL 87 -9.420 -0.407 2.378 745 HG23 VAL 87 2HG2 VAL 87 -10.932 0.155 1.658 746 H LEU 88 H LEU 88 -10.820 4.598 3.325 747 HA LEU 88 HA LEU 88 -9.655 5.215 5.974 748 HB2 LEU 88 2HB LEU 88 -9.036 6.757 4.098 749 HB3 LEU 88 1HB LEU 88 -10.727 7.113 3.838 750 HG LEU 88 HG LEU 88 -9.281 8.866 5.101 751 HD11 LEU 88 1HD1 LEU 88 -11.097 9.625 6.527 752 HD12 LEU 88 2HD1 LEU 88 -11.885 8.050 6.410 753 HD13 LEU 88 3HD1 LEU 88 -11.717 9.064 4.975 754 HD21 LEU 88 3HD2 LEU 88 -9.026 8.600 7.515 755 HD22 LEU 88 1HD2 LEU 88 -8.168 7.319 6.660 756 HD23 LEU 88 2HD2 LEU 88 -9.717 6.978 7.437 757 H GLU 89 H GLU 89 -11.129 4.438 7.366 758 HA GLU 89 HA GLU 89 -13.982 5.218 7.133 759 HB2 GLU 89 2HB GLU 89 -12.671 3.033 8.814 760 HB3 GLU 89 1HB GLU 89 -14.399 3.390 8.783 761 HG2 GLU 89 2HG GLU 89 -14.586 2.665 6.490 762 HG3 GLU 89 1HG GLU 89 -12.835 2.539 6.331 763 H HIS 90 H HIS 90 -14.964 6.239 8.916 764 HA HIS 90 HA HIS 90 -13.128 7.541 10.846 765 HB2 HIS 90 2HB HIS 90 -15.950 8.334 9.980 766 HB3 HIS 90 1HB HIS 90 -15.008 9.179 11.201 767 HD1 HIS 90 HD1 HIS 90 -12.881 10.480 10.359 768 HD2 HIS 90 HD2 HIS 90 -15.343 9.002 7.358 769 HE1 HIS 90 HE1 HIS 90 -12.175 11.664 8.261 770 HE2 HIS 90 HE2 HIS 90 -13.752 10.834 6.493 771 H HIS 91 H HIS 91 -12.954 6.015 12.429 772 HA HIS 91 HA HIS 91 -15.045 4.624 13.732 773 HB2 HIS 91 2HB HIS 91 -12.657 3.966 13.924 774 HB3 HIS 91 1HB HIS 91 -12.294 5.453 14.794 775 HD1 HIS 91 HD1 HIS 91 -13.296 5.642 17.251 776 HD2 HIS 91 HD2 HIS 91 -13.589 1.887 15.497 777 HE1 HIS 91 HE1 HIS 91 -13.810 4.052 19.135 778 HE2 HIS 91 HE2 HIS 91 -14.020 1.800 18.033
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